USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 672 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 72 THR OG1 : rot 129:sc= 0.186 USER MOD Set 1.2: A 75 GLN : amide:sc= -3.1 X(o=-2.9,f=-2.7!) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -160:sc= -0.0891 (180deg=-0.0494) USER MOD Set 2.2: A 71 MET CE :methyl -117:sc= -0.711 (180deg=-4.02!) USER MOD Single : A 20 SER OG : rot -120:sc= -2.75! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -46:sc= -1.46 USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 0.832 (180deg=0.604) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.458 K(o=-0.46,f=-4.2!) USER MOD Single : A 39 SER OG : rot -52:sc= 1.1 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= -0.242 (180deg=-0.3) USER MOD Single : A 49 ASN : amide:sc=-0.00757 K(o=-0.0076,f=-1.3) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -5.27 K(o=-5.3,f=-12!) USER MOD Single : A 58 SER OG : rot 57:sc= 1.19 USER MOD Single : A 63 MET CE :methyl -143:sc= -5.37! (180deg=-8.05!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 93:sc= 1.14 USER MOD Single : A 69 THR OG1 : rot 90:sc= -1.43 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc=-0.00181 X(o=-0.0018,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.028) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -74:sc= -1.34 USER MOD Single : A 92 SER OG : rot -45:sc= 1.07 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.382 F(o=-1.7,f=-0.38) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= 0.238 (180deg=0.185) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 20 -3.741 -17.698 4.962 1.00 0.00 N ATOM 47 CA SER A 20 -2.758 -16.727 4.493 1.00 0.00 C ATOM 48 C SER A 20 -3.414 -15.682 3.597 1.00 0.00 C ATOM 49 O SER A 20 -3.034 -14.510 3.611 1.00 0.00 O ATOM 50 CB SER A 20 -1.635 -17.434 3.734 1.00 0.00 C ATOM 51 OG SER A 20 -0.709 -16.498 3.205 1.00 0.00 O ATOM 0 HA SER A 20 -2.337 -16.222 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.119 -18.124 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.057 -18.030 2.925 1.00 0.00 H new ATOM 0 HG SER A 20 -0.675 -16.587 2.230 1.00 0.00 H new ATOM 57 N LEU A 21 -4.401 -16.114 2.819 1.00 0.00 N ATOM 58 CA LEU A 21 -5.112 -15.217 1.915 1.00 0.00 C ATOM 59 C LEU A 21 -5.815 -14.107 2.690 1.00 0.00 C ATOM 60 O LEU A 21 -5.949 -12.985 2.204 1.00 0.00 O ATOM 61 CB LEU A 21 -6.130 -15.999 1.082 1.00 0.00 C ATOM 62 CG LEU A 21 -5.573 -16.617 -0.204 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.018 -18.066 -0.341 1.00 0.00 C ATOM 64 CD2 LEU A 21 -6.010 -15.809 -1.418 1.00 0.00 C ATOM 0 H LEU A 21 -4.727 -17.080 2.796 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.381 -14.761 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.548 -16.795 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.952 -15.333 0.821 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.485 -16.596 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.611 -18.486 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.655 -18.640 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.107 -18.111 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.605 -16.263 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.098 -15.797 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.640 -14.788 -1.328 1.00 0.00 H new ATOM 76 N VAL A 22 -6.266 -14.430 3.899 1.00 0.00 N ATOM 77 CA VAL A 22 -6.959 -13.461 4.739 1.00 0.00 C ATOM 78 C VAL A 22 -6.060 -12.270 5.068 1.00 0.00 C ATOM 79 O VAL A 22 -6.471 -11.118 4.934 1.00 0.00 O ATOM 80 CB VAL A 22 -7.460 -14.103 6.049 1.00 0.00 C ATOM 81 CG1 VAL A 22 -6.294 -14.628 6.873 1.00 0.00 C ATOM 82 CG2 VAL A 22 -8.289 -13.110 6.850 1.00 0.00 C ATOM 0 H VAL A 22 -6.164 -15.355 4.318 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.820 -13.110 4.170 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.098 -14.949 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.671 -15.076 7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.752 -15.379 6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.623 -13.805 7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.633 -13.582 7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.679 -12.240 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.150 -12.795 6.260 1.00 0.00 H new ATOM 92 N LYS A 23 -4.830 -12.554 5.493 1.00 0.00 N ATOM 93 CA LYS A 23 -3.878 -11.499 5.831 1.00 0.00 C ATOM 94 C LYS A 23 -3.622 -10.603 4.627 1.00 0.00 C ATOM 95 O LYS A 23 -3.487 -9.388 4.761 1.00 0.00 O ATOM 96 CB LYS A 23 -2.562 -12.110 6.325 1.00 0.00 C ATOM 97 CG LYS A 23 -2.366 -12.001 7.828 1.00 0.00 C ATOM 98 CD LYS A 23 -3.217 -13.016 8.577 1.00 0.00 C ATOM 99 CE LYS A 23 -2.376 -14.164 9.111 1.00 0.00 C ATOM 100 NZ LYS A 23 -3.170 -15.079 9.976 1.00 0.00 N ATOM 0 H LYS A 23 -4.471 -13.501 5.611 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.306 -10.892 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.529 -13.161 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.731 -11.616 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.315 -12.156 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.624 -10.995 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.729 -12.523 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.988 -13.407 7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.957 -14.726 8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.536 -13.765 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.560 -15.848 10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.549 -14.549 10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.957 -15.480 9.427 1.00 0.00 H new ATOM 114 N VAL A 24 -3.566 -11.213 3.448 1.00 0.00 N ATOM 115 CA VAL A 24 -3.338 -10.470 2.216 1.00 0.00 C ATOM 116 C VAL A 24 -4.424 -9.419 2.021 1.00 0.00 C ATOM 117 O VAL A 24 -4.137 -8.243 1.793 1.00 0.00 O ATOM 118 CB VAL A 24 -3.308 -11.403 0.992 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.855 -10.648 -0.246 1.00 0.00 C ATOM 120 CG2 VAL A 24 -2.405 -12.600 1.256 1.00 0.00 C ATOM 0 H VAL A 24 -3.675 -12.219 3.320 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.367 -9.983 2.304 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.319 -11.770 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.841 -11.325 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.545 -9.828 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.854 -10.249 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.396 -13.249 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.392 -12.253 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.780 -13.156 2.115 1.00 0.00 H new ATOM 130 N GLY A 25 -5.679 -9.848 2.130 1.00 0.00 N ATOM 131 CA GLY A 25 -6.790 -8.930 1.982 1.00 0.00 C ATOM 132 C GLY A 25 -6.742 -7.824 3.015 1.00 0.00 C ATOM 133 O GLY A 25 -7.009 -6.660 2.709 1.00 0.00 O ATOM 0 H GLY A 25 -5.944 -10.815 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.773 -8.496 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.729 -9.476 2.076 1.00 0.00 H new ATOM 137 N THR A 26 -6.384 -8.189 4.245 1.00 0.00 N ATOM 138 CA THR A 26 -6.284 -7.219 5.327 1.00 0.00 C ATOM 139 C THR A 26 -5.307 -6.110 4.946 1.00 0.00 C ATOM 140 O THR A 26 -5.532 -4.935 5.241 1.00 0.00 O ATOM 141 CB THR A 26 -5.841 -7.900 6.623 1.00 0.00 C ATOM 142 OG1 THR A 26 -5.844 -9.309 6.480 1.00 0.00 O ATOM 143 CG2 THR A 26 -6.719 -7.557 7.806 1.00 0.00 C ATOM 0 H THR A 26 -6.160 -9.147 4.514 1.00 0.00 H new ATOM 0 HA THR A 26 -7.268 -6.780 5.493 1.00 0.00 H new ATOM 0 HB THR A 26 -4.835 -7.527 6.815 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.673 -9.591 6.041 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.351 -8.072 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.697 -6.481 7.976 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.743 -7.871 7.603 1.00 0.00 H new ATOM 151 N LEU A 27 -4.228 -6.487 4.264 1.00 0.00 N ATOM 152 CA LEU A 27 -3.239 -5.513 3.827 1.00 0.00 C ATOM 153 C LEU A 27 -3.870 -4.571 2.814 1.00 0.00 C ATOM 154 O LEU A 27 -3.682 -3.357 2.882 1.00 0.00 O ATOM 155 CB LEU A 27 -2.017 -6.204 3.223 1.00 0.00 C ATOM 156 CG LEU A 27 -0.726 -5.383 3.274 1.00 0.00 C ATOM 157 CD1 LEU A 27 0.159 -5.848 4.419 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.019 -5.475 1.951 1.00 0.00 C ATOM 0 H LEU A 27 -4.020 -7.451 4.005 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.903 -4.942 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.853 -7.146 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.233 -6.451 2.184 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.990 -4.340 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.072 -5.252 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.373 -5.727 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.414 -6.898 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.934 -4.885 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.270 -6.516 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.613 -5.090 1.150 1.00 0.00 H new ATOM 170 N LYS A 28 -4.651 -5.134 1.892 1.00 0.00 N ATOM 171 CA LYS A 28 -5.338 -4.322 0.896 1.00 0.00 C ATOM 172 C LYS A 28 -6.120 -3.230 1.612 1.00 0.00 C ATOM 173 O LYS A 28 -6.210 -2.094 1.146 1.00 0.00 O ATOM 174 CB LYS A 28 -6.280 -5.186 0.053 1.00 0.00 C ATOM 175 CG LYS A 28 -6.528 -4.634 -1.342 1.00 0.00 C ATOM 176 CD LYS A 28 -5.602 -5.268 -2.366 1.00 0.00 C ATOM 177 CE LYS A 28 -5.085 -4.242 -3.361 1.00 0.00 C ATOM 178 NZ LYS A 28 -5.971 -4.124 -4.550 1.00 0.00 N ATOM 0 H LYS A 28 -4.821 -6.137 1.816 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.606 -3.872 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.862 -6.189 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.234 -5.281 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.565 -4.815 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.382 -3.554 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.761 -5.737 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.133 -6.057 -2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.004 -3.271 -2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.082 -4.522 -3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.795 -3.216 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.773 -4.904 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.965 -4.169 -4.248 1.00 0.00 H new ATOM 192 N LYS A 29 -6.652 -3.592 2.777 1.00 0.00 N ATOM 193 CA LYS A 29 -7.393 -2.663 3.611 1.00 0.00 C ATOM 194 C LYS A 29 -6.483 -1.521 4.035 1.00 0.00 C ATOM 195 O LYS A 29 -6.854 -0.350 3.961 1.00 0.00 O ATOM 196 CB LYS A 29 -7.929 -3.381 4.834 1.00 0.00 C ATOM 197 CG LYS A 29 -8.605 -4.690 4.493 1.00 0.00 C ATOM 198 CD LYS A 29 -9.770 -4.942 5.415 1.00 0.00 C ATOM 199 CE LYS A 29 -10.257 -6.380 5.330 1.00 0.00 C ATOM 200 NZ LYS A 29 -11.659 -6.521 5.807 1.00 0.00 N ATOM 0 H LYS A 29 -6.580 -4.533 3.163 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.232 -2.260 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.110 -3.570 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.639 -2.733 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.950 -4.669 3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.888 -5.507 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.477 -4.718 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.587 -4.266 5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.188 -6.726 4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.605 -7.020 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.953 -7.516 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.721 -6.215 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.285 -5.931 5.223 1.00 0.00 H new ATOM 214 N ARG A 30 -5.272 -1.880 4.466 1.00 0.00 N ATOM 215 CA ARG A 30 -4.285 -0.892 4.888 1.00 0.00 C ATOM 216 C ARG A 30 -4.010 0.097 3.760 1.00 0.00 C ATOM 217 O ARG A 30 -3.815 1.290 3.996 1.00 0.00 O ATOM 218 CB ARG A 30 -2.986 -1.589 5.303 1.00 0.00 C ATOM 219 CG ARG A 30 -2.364 -1.021 6.569 1.00 0.00 C ATOM 220 CD ARG A 30 -2.506 -1.978 7.742 1.00 0.00 C ATOM 221 NE ARG A 30 -1.319 -1.980 8.594 1.00 0.00 N ATOM 222 CZ ARG A 30 -1.008 -2.966 9.432 1.00 0.00 C ATOM 223 NH1 ARG A 30 -1.793 -4.030 9.537 1.00 0.00 N ATOM 224 NH2 ARG A 30 0.094 -2.890 10.167 1.00 0.00 N ATOM 0 H ARG A 30 -4.954 -2.847 4.531 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.682 -0.346 5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.185 -2.650 5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.266 -1.511 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.308 -0.813 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.840 -0.071 6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.377 -1.698 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.685 -2.986 7.368 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.691 -1.178 8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.641 -4.096 8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.549 -4.782 10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.703 -2.076 10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.332 -3.646 10.809 1.00 0.00 H new ATOM 238 N LEU A 31 -4.003 -0.411 2.530 1.00 0.00 N ATOM 239 CA LEU A 31 -3.762 0.424 1.360 1.00 0.00 C ATOM 240 C LEU A 31 -4.838 1.496 1.239 1.00 0.00 C ATOM 241 O LEU A 31 -4.536 2.682 1.109 1.00 0.00 O ATOM 242 CB LEU A 31 -3.727 -0.435 0.094 1.00 0.00 C ATOM 243 CG LEU A 31 -2.328 -0.790 -0.408 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.562 -1.569 0.649 1.00 0.00 C ATOM 245 CD2 LEU A 31 -2.413 -1.585 -1.703 1.00 0.00 C ATOM 0 H LEU A 31 -4.162 -1.396 2.320 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.796 0.914 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.273 -1.359 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.258 0.092 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.789 0.136 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.568 -1.813 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.470 -0.964 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.097 -2.489 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.408 -1.829 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.971 -2.505 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.921 -0.991 -2.462 1.00 0.00 H new ATOM 257 N ASP A 32 -6.099 1.071 1.294 1.00 0.00 N ATOM 258 CA ASP A 32 -7.220 1.999 1.200 1.00 0.00 C ATOM 259 C ASP A 32 -7.133 3.047 2.304 1.00 0.00 C ATOM 260 O ASP A 32 -7.450 4.219 2.095 1.00 0.00 O ATOM 261 CB ASP A 32 -8.547 1.245 1.297 1.00 0.00 C ATOM 262 CG ASP A 32 -9.625 1.856 0.425 1.00 0.00 C ATOM 263 OD1 ASP A 32 -9.787 3.095 0.460 1.00 0.00 O ATOM 264 OD2 ASP A 32 -10.308 1.097 -0.296 1.00 0.00 O ATOM 0 H ASP A 32 -6.368 0.093 1.403 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.172 2.501 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.393 0.206 1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.883 1.239 2.334 1.00 0.00 H new ATOM 269 N LYS A 33 -6.685 2.613 3.478 1.00 0.00 N ATOM 270 CA LYS A 33 -6.538 3.507 4.620 1.00 0.00 C ATOM 271 C LYS A 33 -5.584 4.647 4.279 1.00 0.00 C ATOM 272 O LYS A 33 -5.842 5.807 4.603 1.00 0.00 O ATOM 273 CB LYS A 33 -6.024 2.730 5.835 1.00 0.00 C ATOM 274 CG LYS A 33 -5.631 3.610 7.010 1.00 0.00 C ATOM 275 CD LYS A 33 -6.837 4.314 7.608 1.00 0.00 C ATOM 276 CE LYS A 33 -6.473 5.688 8.146 1.00 0.00 C ATOM 277 NZ LYS A 33 -7.163 5.984 9.431 1.00 0.00 N ATOM 0 H LYS A 33 -6.417 1.646 3.663 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.513 3.930 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.795 2.031 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.161 2.136 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.147 3.002 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.902 4.351 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.614 4.414 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.252 3.706 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.394 5.746 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.737 6.447 7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.887 6.930 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.193 5.954 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.892 5.275 10.142 1.00 0.00 H new ATOM 291 N PHE A 34 -4.481 4.309 3.618 1.00 0.00 N ATOM 292 CA PHE A 34 -3.494 5.306 3.226 1.00 0.00 C ATOM 293 C PHE A 34 -4.094 6.293 2.233 1.00 0.00 C ATOM 294 O PHE A 34 -3.859 7.499 2.322 1.00 0.00 O ATOM 295 CB PHE A 34 -2.266 4.627 2.613 1.00 0.00 C ATOM 296 CG PHE A 34 -1.703 3.520 3.461 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.608 3.663 4.836 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.269 2.339 2.882 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.090 2.646 5.618 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.750 1.320 3.657 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.661 1.474 5.027 1.00 0.00 C ATOM 0 H PHE A 34 -4.250 3.354 3.344 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.187 5.852 4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.534 4.224 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.492 5.376 2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.942 4.578 5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.337 2.213 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.021 2.769 6.689 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.414 0.404 3.193 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.256 0.679 5.635 1.00 0.00 H new ATOM 311 N ASN A 35 -4.877 5.774 1.291 1.00 0.00 N ATOM 312 CA ASN A 35 -5.519 6.609 0.282 1.00 0.00 C ATOM 313 C ASN A 35 -6.345 7.712 0.935 1.00 0.00 C ATOM 314 O ASN A 35 -6.298 8.868 0.516 1.00 0.00 O ATOM 315 CB ASN A 35 -6.411 5.757 -0.624 1.00 0.00 C ATOM 316 CG ASN A 35 -5.646 5.152 -1.784 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.570 5.626 -2.148 1.00 0.00 O ATOM 318 ND2 ASN A 35 -6.200 4.099 -2.374 1.00 0.00 N ATOM 0 H ASN A 35 -5.082 4.778 1.206 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.738 7.072 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.865 4.959 -0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.225 6.371 -1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.732 3.651 -3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.094 3.739 -2.040 1.00 0.00 H new ATOM 325 N GLU A 36 -7.100 7.346 1.967 1.00 0.00 N ATOM 326 CA GLU A 36 -7.933 8.308 2.679 1.00 0.00 C ATOM 327 C GLU A 36 -7.076 9.385 3.333 1.00 0.00 C ATOM 328 O GLU A 36 -7.279 10.580 3.112 1.00 0.00 O ATOM 329 CB GLU A 36 -8.779 7.600 3.740 1.00 0.00 C ATOM 330 CG GLU A 36 -9.891 6.742 3.159 1.00 0.00 C ATOM 331 CD GLU A 36 -11.060 6.580 4.110 1.00 0.00 C ATOM 332 OE1 GLU A 36 -11.445 7.581 4.752 1.00 0.00 O ATOM 333 OE2 GLU A 36 -11.589 5.454 4.216 1.00 0.00 O ATOM 0 H GLU A 36 -7.152 6.393 2.327 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.596 8.782 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.130 6.973 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.216 8.347 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.243 7.190 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.493 5.759 2.908 1.00 0.00 H new ATOM 340 N VAL A 37 -6.111 8.951 4.135 1.00 0.00 N ATOM 341 CA VAL A 37 -5.215 9.872 4.823 1.00 0.00 C ATOM 342 C VAL A 37 -4.481 10.767 3.830 1.00 0.00 C ATOM 343 O VAL A 37 -4.271 11.953 4.083 1.00 0.00 O ATOM 344 CB VAL A 37 -4.177 9.116 5.677 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.346 10.089 6.498 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.866 8.100 6.579 1.00 0.00 C ATOM 0 H VAL A 37 -5.929 7.966 4.325 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.834 10.486 5.477 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.506 8.579 5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.620 9.535 7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.822 10.773 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.000 10.657 7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.118 7.576 7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.562 8.615 7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.412 7.381 5.967 1.00 0.00 H new ATOM 356 N VAL A 38 -4.099 10.191 2.696 1.00 0.00 N ATOM 357 CA VAL A 38 -3.393 10.936 1.661 1.00 0.00 C ATOM 358 C VAL A 38 -4.348 11.855 0.905 1.00 0.00 C ATOM 359 O VAL A 38 -3.977 12.959 0.506 1.00 0.00 O ATOM 360 CB VAL A 38 -2.702 9.989 0.661 1.00 0.00 C ATOM 361 CG1 VAL A 38 -1.911 10.778 -0.370 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.801 9.008 1.396 1.00 0.00 C ATOM 0 H VAL A 38 -4.266 9.211 2.470 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.633 11.537 2.160 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.471 9.423 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.432 10.089 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.584 11.438 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.150 11.374 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.320 8.346 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.039 9.558 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.397 8.417 2.091 1.00 0.00 H new ATOM 372 N SER A 39 -5.580 11.394 0.716 1.00 0.00 N ATOM 373 CA SER A 39 -6.587 12.177 0.014 1.00 0.00 C ATOM 374 C SER A 39 -6.851 13.488 0.746 1.00 0.00 C ATOM 375 O SER A 39 -7.122 14.516 0.124 1.00 0.00 O ATOM 376 CB SER A 39 -7.887 11.381 -0.117 1.00 0.00 C ATOM 377 OG SER A 39 -8.574 11.319 1.122 1.00 0.00 O ATOM 0 H SER A 39 -5.904 10.482 1.039 1.00 0.00 H new ATOM 0 HA SER A 39 -6.210 12.402 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.527 11.844 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.666 10.372 -0.465 1.00 0.00 H new ATOM 0 HG SER A 39 -7.963 11.000 1.819 1.00 0.00 H new ATOM 383 N ALA A 40 -6.765 13.442 2.071 1.00 0.00 N ATOM 384 CA ALA A 40 -6.990 14.625 2.892 1.00 0.00 C ATOM 385 C ALA A 40 -5.810 15.591 2.807 1.00 0.00 C ATOM 386 O ALA A 40 -5.951 16.781 3.088 1.00 0.00 O ATOM 387 CB ALA A 40 -7.239 14.222 4.338 1.00 0.00 C ATOM 0 H ALA A 40 -6.541 12.598 2.599 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.872 15.138 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.406 15.115 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.118 13.579 4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.372 13.683 4.720 1.00 0.00 H new ATOM 393 N LEU A 41 -4.648 15.073 2.418 1.00 0.00 N ATOM 394 CA LEU A 41 -3.449 15.894 2.299 1.00 0.00 C ATOM 395 C LEU A 41 -3.548 16.833 1.100 1.00 0.00 C ATOM 396 O LEU A 41 -3.160 17.998 1.181 1.00 0.00 O ATOM 397 CB LEU A 41 -2.208 15.008 2.162 1.00 0.00 C ATOM 398 CG LEU A 41 -1.791 14.277 3.440 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.713 13.248 3.137 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.303 15.271 4.483 1.00 0.00 C ATOM 0 H LEU A 41 -4.512 14.090 2.180 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.362 16.495 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.392 14.269 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.375 15.625 1.826 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.660 13.755 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.428 12.738 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.096 12.520 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.159 13.748 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.010 14.736 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.446 15.818 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.103 15.972 4.720 1.00 0.00 H new ATOM 412 N LYS A 42 -4.068 16.314 -0.010 1.00 0.00 N ATOM 413 CA LYS A 42 -4.222 17.102 -1.230 1.00 0.00 C ATOM 414 C LYS A 42 -2.870 17.548 -1.785 1.00 0.00 C ATOM 415 O LYS A 42 -2.804 18.422 -2.648 1.00 0.00 O ATOM 416 CB LYS A 42 -5.093 18.326 -0.964 1.00 0.00 C ATOM 417 CG LYS A 42 -6.565 17.998 -0.775 1.00 0.00 C ATOM 418 CD LYS A 42 -6.888 17.712 0.683 1.00 0.00 C ATOM 419 CE LYS A 42 -8.210 18.341 1.097 1.00 0.00 C ATOM 420 NZ LYS A 42 -8.039 19.300 2.223 1.00 0.00 N ATOM 0 H LYS A 42 -4.390 15.350 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.703 16.465 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.726 18.836 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.989 19.023 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.173 18.831 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.827 17.133 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.931 16.635 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.088 18.096 1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.650 18.857 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.909 17.558 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.962 19.707 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.643 18.802 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.392 20.062 1.935 1.00 0.00 H new ATOM 434 N ASP A 43 -1.796 16.948 -1.285 1.00 0.00 N ATOM 435 CA ASP A 43 -0.452 17.290 -1.735 1.00 0.00 C ATOM 436 C ASP A 43 0.343 16.035 -2.076 1.00 0.00 C ATOM 437 O ASP A 43 0.320 15.052 -1.337 1.00 0.00 O ATOM 438 CB ASP A 43 0.280 18.092 -0.656 1.00 0.00 C ATOM 439 CG ASP A 43 1.487 18.827 -1.204 1.00 0.00 C ATOM 440 OD1 ASP A 43 1.308 19.934 -1.758 1.00 0.00 O ATOM 441 OD2 ASP A 43 2.613 18.299 -1.080 1.00 0.00 O ATOM 0 H ASP A 43 -1.830 16.223 -0.568 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.541 17.898 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.408 18.810 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.598 17.419 0.140 1.00 0.00 H new ATOM 446 N GLY A 44 1.046 16.075 -3.205 1.00 0.00 N ATOM 447 CA GLY A 44 1.839 14.935 -3.625 1.00 0.00 C ATOM 448 C GLY A 44 1.003 13.683 -3.809 1.00 0.00 C ATOM 449 O GLY A 44 1.265 12.657 -3.182 1.00 0.00 O ATOM 0 H GLY A 44 1.080 16.876 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.343 15.172 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.616 14.744 -2.884 1.00 0.00 H new ATOM 453 N LYS A 45 -0.005 13.770 -4.670 1.00 0.00 N ATOM 454 CA LYS A 45 -0.884 12.638 -4.936 1.00 0.00 C ATOM 455 C LYS A 45 -0.217 11.621 -5.864 1.00 0.00 C ATOM 456 O LYS A 45 -0.276 10.418 -5.617 1.00 0.00 O ATOM 457 CB LYS A 45 -2.204 13.114 -5.545 1.00 0.00 C ATOM 458 CG LYS A 45 -2.783 14.343 -4.863 1.00 0.00 C ATOM 459 CD LYS A 45 -3.108 14.067 -3.403 1.00 0.00 C ATOM 460 CE LYS A 45 -4.316 13.153 -3.265 1.00 0.00 C ATOM 461 NZ LYS A 45 -5.554 13.914 -2.943 1.00 0.00 N ATOM 0 H LYS A 45 -0.234 14.614 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.088 12.148 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.048 13.335 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.931 12.304 -5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.072 15.167 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.686 14.659 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.246 13.609 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.301 15.008 -2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.461 12.600 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.128 12.418 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.368 13.267 -2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.458 14.353 -2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.702 14.655 -3.658 1.00 0.00 H new ATOM 475 N PRO A 46 0.429 12.088 -6.951 1.00 0.00 N ATOM 476 CA PRO A 46 1.100 11.198 -7.906 1.00 0.00 C ATOM 477 C PRO A 46 2.094 10.259 -7.229 1.00 0.00 C ATOM 478 O PRO A 46 2.167 9.075 -7.558 1.00 0.00 O ATOM 479 CB PRO A 46 1.830 12.161 -8.844 1.00 0.00 C ATOM 480 CG PRO A 46 1.066 13.434 -8.750 1.00 0.00 C ATOM 481 CD PRO A 46 0.556 13.506 -7.339 1.00 0.00 C ATOM 0 HA PRO A 46 0.392 10.543 -8.414 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.868 12.299 -8.540 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.845 11.783 -9.866 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.702 14.289 -8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.243 13.449 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.248 14.041 -6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.401 14.026 -7.283 1.00 0.00 H new ATOM 489 N GLU A 47 2.861 10.794 -6.285 1.00 0.00 N ATOM 490 CA GLU A 47 3.851 10.002 -5.566 1.00 0.00 C ATOM 491 C GLU A 47 3.187 8.854 -4.812 1.00 0.00 C ATOM 492 O GLU A 47 3.604 7.700 -4.922 1.00 0.00 O ATOM 493 CB GLU A 47 4.633 10.884 -4.590 1.00 0.00 C ATOM 494 CG GLU A 47 5.852 10.200 -3.996 1.00 0.00 C ATOM 495 CD GLU A 47 6.971 11.176 -3.684 1.00 0.00 C ATOM 496 OE1 GLU A 47 6.861 11.900 -2.672 1.00 0.00 O ATOM 497 OE2 GLU A 47 7.956 11.214 -4.448 1.00 0.00 O ATOM 0 H GLU A 47 2.816 11.772 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 47 4.542 9.582 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.951 11.790 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.970 11.193 -3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.564 9.679 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.216 9.445 -4.692 1.00 0.00 H new ATOM 504 N VAL A 48 2.152 9.181 -4.050 1.00 0.00 N ATOM 505 CA VAL A 48 1.423 8.181 -3.278 1.00 0.00 C ATOM 506 C VAL A 48 0.704 7.202 -4.192 1.00 0.00 C ATOM 507 O VAL A 48 0.896 5.997 -4.093 1.00 0.00 O ATOM 508 CB VAL A 48 0.394 8.834 -2.335 1.00 0.00 C ATOM 509 CG1 VAL A 48 -0.089 7.830 -1.298 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.984 10.066 -1.662 1.00 0.00 C ATOM 0 H VAL A 48 1.797 10.132 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 48 2.161 7.645 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.463 9.153 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.815 8.307 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.557 6.984 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.758 7.479 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.240 10.511 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.860 9.779 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.274 10.792 -2.422 1.00 0.00 H new ATOM 520 N ASN A 49 -0.122 7.724 -5.085 1.00 0.00 N ATOM 521 CA ASN A 49 -0.869 6.882 -6.011 1.00 0.00 C ATOM 522 C ASN A 49 0.056 5.928 -6.766 1.00 0.00 C ATOM 523 O ASN A 49 -0.347 4.825 -7.130 1.00 0.00 O ATOM 524 CB ASN A 49 -1.646 7.746 -7.005 1.00 0.00 C ATOM 525 CG ASN A 49 -2.764 8.527 -6.342 1.00 0.00 C ATOM 526 OD1 ASN A 49 -3.217 8.177 -5.252 1.00 0.00 O ATOM 527 ND2 ASN A 49 -3.213 9.590 -6.998 1.00 0.00 N ATOM 0 H ASN A 49 -0.293 8.724 -5.190 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.570 6.286 -5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.961 8.440 -7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.064 7.110 -7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.964 10.155 -6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.807 9.842 -7.899 1.00 0.00 H new ATOM 534 N ARG A 50 1.291 6.358 -7.005 1.00 0.00 N ATOM 535 CA ARG A 50 2.265 5.542 -7.730 1.00 0.00 C ATOM 536 C ARG A 50 2.782 4.380 -6.887 1.00 0.00 C ATOM 537 O ARG A 50 2.829 3.237 -7.349 1.00 0.00 O ATOM 538 CB ARG A 50 3.442 6.404 -8.191 1.00 0.00 C ATOM 539 CG ARG A 50 4.517 5.621 -8.925 1.00 0.00 C ATOM 540 CD ARG A 50 5.450 6.542 -9.694 1.00 0.00 C ATOM 541 NE ARG A 50 4.764 7.230 -10.786 1.00 0.00 N ATOM 542 CZ ARG A 50 5.387 7.774 -11.829 1.00 0.00 C ATOM 543 NH1 ARG A 50 6.710 7.718 -11.925 1.00 0.00 N ATOM 544 NH2 ARG A 50 4.687 8.376 -12.778 1.00 0.00 N ATOM 0 H ARG A 50 1.643 7.268 -6.708 1.00 0.00 H new ATOM 0 HA ARG A 50 1.752 5.125 -8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.070 7.194 -8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.887 6.891 -7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.092 5.033 -8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.050 4.917 -9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.875 7.278 -9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.281 5.962 -10.096 1.00 0.00 H new ATOM 0 HE ARG A 50 3.747 7.297 -10.746 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.255 7.256 -11.197 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.181 8.137 -12.727 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.670 8.423 -12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.164 8.793 -13.577 1.00 0.00 H new ATOM 558 N GLN A 51 3.172 4.671 -5.653 1.00 0.00 N ATOM 559 CA GLN A 51 3.686 3.641 -4.759 1.00 0.00 C ATOM 560 C GLN A 51 2.545 2.764 -4.294 1.00 0.00 C ATOM 561 O GLN A 51 2.657 1.539 -4.229 1.00 0.00 O ATOM 562 CB GLN A 51 4.392 4.274 -3.559 1.00 0.00 C ATOM 563 CG GLN A 51 5.753 4.862 -3.893 1.00 0.00 C ATOM 564 CD GLN A 51 6.193 5.916 -2.895 1.00 0.00 C ATOM 565 OE1 GLN A 51 6.134 7.179 -3.302 1.00 0.00 O flip ATOM 566 NE2 GLN A 51 6.583 5.598 -1.772 1.00 0.00 N flip ATOM 0 H GLN A 51 3.143 5.607 -5.249 1.00 0.00 H new ATOM 0 HA GLN A 51 4.412 3.033 -5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.758 5.059 -3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.512 3.521 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.493 4.062 -3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.720 5.302 -4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.612 4.615 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.877 6.317 -1.112 1.00 0.00 H new ATOM 575 N ILE A 52 1.439 3.413 -3.995 1.00 0.00 N ATOM 576 CA ILE A 52 0.245 2.733 -3.557 1.00 0.00 C ATOM 577 C ILE A 52 -0.254 1.791 -4.652 1.00 0.00 C ATOM 578 O ILE A 52 -0.831 0.742 -4.365 1.00 0.00 O ATOM 579 CB ILE A 52 -0.843 3.762 -3.186 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.394 4.576 -1.961 1.00 0.00 C ATOM 581 CG2 ILE A 52 -2.168 3.074 -2.930 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.518 4.965 -1.018 1.00 0.00 C ATOM 0 H ILE A 52 1.346 4.427 -4.050 1.00 0.00 H new ATOM 0 HA ILE A 52 0.476 2.140 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.984 4.445 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.345 3.997 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.104 5.482 -2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.920 3.819 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.480 2.541 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.058 2.367 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.111 5.536 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.247 5.573 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.004 4.065 -0.640 1.00 0.00 H new ATOM 594 N LYS A 53 -0.021 2.168 -5.912 1.00 0.00 N ATOM 595 CA LYS A 53 -0.441 1.347 -7.044 1.00 0.00 C ATOM 596 C LYS A 53 0.390 0.071 -7.144 1.00 0.00 C ATOM 597 O LYS A 53 -0.158 -1.029 -7.172 1.00 0.00 O ATOM 598 CB LYS A 53 -0.326 2.128 -8.355 1.00 0.00 C ATOM 599 CG LYS A 53 -1.605 2.125 -9.178 1.00 0.00 C ATOM 600 CD LYS A 53 -1.341 1.727 -10.622 1.00 0.00 C ATOM 601 CE LYS A 53 -2.439 0.822 -11.159 1.00 0.00 C ATOM 602 NZ LYS A 53 -2.097 0.268 -12.497 1.00 0.00 N ATOM 0 H LYS A 53 0.454 3.033 -6.170 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.483 1.075 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.050 3.158 -8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.481 1.704 -8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.322 1.434 -8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.059 3.116 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.270 2.622 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.381 1.216 -10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.609 0.003 -10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.371 1.383 -11.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.871 -0.343 -12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.960 1.048 -13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.221 -0.289 -12.429 1.00 0.00 H new ATOM 616 N ASN A 54 1.712 0.218 -7.206 1.00 0.00 N ATOM 617 CA ASN A 54 2.591 -0.942 -7.314 1.00 0.00 C ATOM 618 C ASN A 54 2.415 -1.873 -6.121 1.00 0.00 C ATOM 619 O ASN A 54 2.667 -3.074 -6.221 1.00 0.00 O ATOM 620 CB ASN A 54 4.056 -0.517 -7.462 1.00 0.00 C ATOM 621 CG ASN A 54 4.566 0.294 -6.290 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.282 -0.014 -5.133 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.334 1.337 -6.589 1.00 0.00 N ATOM 0 H ASN A 54 2.192 1.117 -7.184 1.00 0.00 H new ATOM 0 HA ASN A 54 2.309 -1.488 -8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.675 -1.407 -7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.167 0.068 -8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.715 1.920 -5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.543 1.554 -7.564 1.00 0.00 H new ATOM 630 N LEU A 55 1.971 -1.320 -4.997 1.00 0.00 N ATOM 631 CA LEU A 55 1.754 -2.121 -3.799 1.00 0.00 C ATOM 632 C LEU A 55 0.456 -2.907 -3.911 1.00 0.00 C ATOM 633 O LEU A 55 0.426 -4.108 -3.642 1.00 0.00 O ATOM 634 CB LEU A 55 1.732 -1.235 -2.553 1.00 0.00 C ATOM 635 CG LEU A 55 3.097 -0.690 -2.123 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.930 0.372 -1.046 1.00 0.00 C ATOM 637 CD2 LEU A 55 3.989 -1.817 -1.628 1.00 0.00 C ATOM 0 H LEU A 55 1.756 -0.329 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 55 2.581 -2.826 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.063 -0.394 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.309 -1.806 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 55 3.574 -0.231 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.910 0.749 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.327 1.193 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.433 -0.064 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.955 -1.411 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.518 -2.305 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.134 -2.544 -2.427 1.00 0.00 H new ATOM 649 N GLU A 56 -0.614 -2.237 -4.330 1.00 0.00 N ATOM 650 CA GLU A 56 -1.899 -2.906 -4.492 1.00 0.00 C ATOM 651 C GLU A 56 -1.738 -4.078 -5.457 1.00 0.00 C ATOM 652 O GLU A 56 -2.386 -5.114 -5.313 1.00 0.00 O ATOM 653 CB GLU A 56 -2.975 -1.926 -4.985 1.00 0.00 C ATOM 654 CG GLU A 56 -2.874 -1.564 -6.460 1.00 0.00 C ATOM 655 CD GLU A 56 -4.132 -1.908 -7.233 1.00 0.00 C ATOM 656 OE1 GLU A 56 -5.224 -1.893 -6.628 1.00 0.00 O ATOM 657 OE2 GLU A 56 -4.025 -2.195 -8.444 1.00 0.00 O ATOM 0 H GLU A 56 -0.617 -1.243 -4.561 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.229 -3.284 -3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.957 -2.360 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.913 -1.012 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.674 -0.497 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.026 -2.088 -6.902 1.00 0.00 H new ATOM 664 N ILE A 57 -0.840 -3.902 -6.422 1.00 0.00 N ATOM 665 CA ILE A 57 -0.546 -4.935 -7.399 1.00 0.00 C ATOM 666 C ILE A 57 0.221 -6.071 -6.742 1.00 0.00 C ATOM 667 O ILE A 57 -0.043 -7.246 -6.996 1.00 0.00 O ATOM 668 CB ILE A 57 0.287 -4.373 -8.564 1.00 0.00 C ATOM 669 CG1 ILE A 57 -0.405 -3.149 -9.157 1.00 0.00 C ATOM 670 CG2 ILE A 57 0.509 -5.432 -9.630 1.00 0.00 C ATOM 671 CD1 ILE A 57 0.554 -2.159 -9.774 1.00 0.00 C ATOM 0 H ILE A 57 -0.301 -3.045 -6.545 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.494 -5.305 -7.790 1.00 0.00 H new ATOM 0 HB ILE A 57 1.263 -4.074 -8.181 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.117 -3.475 -9.915 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.978 -2.650 -8.375 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.100 -5.011 -10.443 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.040 -6.279 -9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.454 -5.766 -10.017 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.004 -1.314 -10.176 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.251 -1.805 -9.014 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.109 -2.643 -10.578 1.00 0.00 H new ATOM 683 N SER A 58 1.171 -5.708 -5.880 1.00 0.00 N ATOM 684 CA SER A 58 1.971 -6.702 -5.173 1.00 0.00 C ATOM 685 C SER A 58 1.066 -7.638 -4.377 1.00 0.00 C ATOM 686 O SER A 58 1.201 -8.862 -4.446 1.00 0.00 O ATOM 687 CB SER A 58 2.967 -6.015 -4.235 1.00 0.00 C ATOM 688 OG SER A 58 3.877 -5.208 -4.962 1.00 0.00 O ATOM 0 H SER A 58 1.403 -4.740 -5.657 1.00 0.00 H new ATOM 0 HA SER A 58 2.526 -7.286 -5.907 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.428 -5.401 -3.513 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.516 -6.767 -3.668 1.00 0.00 H new ATOM 0 HG SER A 58 3.380 -4.548 -5.489 1.00 0.00 H new ATOM 694 N ILE A 59 0.128 -7.052 -3.638 1.00 0.00 N ATOM 695 CA ILE A 59 -0.815 -7.828 -2.846 1.00 0.00 C ATOM 696 C ILE A 59 -1.626 -8.753 -3.747 1.00 0.00 C ATOM 697 O ILE A 59 -1.736 -9.956 -3.493 1.00 0.00 O ATOM 698 CB ILE A 59 -1.775 -6.909 -2.063 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.982 -5.923 -1.203 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.719 -7.731 -1.199 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.672 -4.590 -1.021 1.00 0.00 C ATOM 0 H ILE A 59 0.003 -6.042 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.240 -8.421 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.373 -6.344 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.805 -6.368 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.006 -5.758 -1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.388 -7.064 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.306 -8.396 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.141 -8.323 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.053 -3.941 -0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.825 -4.124 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.636 -4.743 -0.536 1.00 0.00 H new ATOM 713 N ASP A 60 -2.182 -8.184 -4.813 1.00 0.00 N ATOM 714 CA ASP A 60 -2.969 -8.953 -5.765 1.00 0.00 C ATOM 715 C ASP A 60 -2.111 -10.042 -6.395 1.00 0.00 C ATOM 716 O ASP A 60 -2.600 -11.126 -6.714 1.00 0.00 O ATOM 717 CB ASP A 60 -3.541 -8.039 -6.850 1.00 0.00 C ATOM 718 CG ASP A 60 -4.894 -7.473 -6.472 1.00 0.00 C ATOM 719 OD1 ASP A 60 -4.943 -6.595 -5.583 1.00 0.00 O ATOM 720 OD2 ASP A 60 -5.905 -7.903 -7.064 1.00 0.00 O ATOM 0 H ASP A 60 -2.101 -7.192 -5.037 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.798 -9.419 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.846 -7.220 -7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.631 -8.597 -7.782 1.00 0.00 H new ATOM 725 N ALA A 61 -0.820 -9.752 -6.558 1.00 0.00 N ATOM 726 CA ALA A 61 0.107 -10.717 -7.133 1.00 0.00 C ATOM 727 C ALA A 61 0.106 -11.995 -6.306 1.00 0.00 C ATOM 728 O ALA A 61 -0.049 -13.094 -6.840 1.00 0.00 O ATOM 729 CB ALA A 61 1.507 -10.128 -7.212 1.00 0.00 C ATOM 0 H ALA A 61 -0.397 -8.860 -6.300 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.217 -10.957 -8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.187 -10.862 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.492 -9.236 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.847 -9.863 -6.211 1.00 0.00 H new ATOM 735 N LEU A 62 0.256 -11.841 -4.992 1.00 0.00 N ATOM 736 CA LEU A 62 0.248 -12.982 -4.092 1.00 0.00 C ATOM 737 C LEU A 62 -1.030 -13.782 -4.271 1.00 0.00 C ATOM 738 O LEU A 62 -0.984 -14.985 -4.514 1.00 0.00 O ATOM 739 CB LEU A 62 0.370 -12.517 -2.642 1.00 0.00 C ATOM 740 CG LEU A 62 1.779 -12.109 -2.224 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.860 -10.607 -1.996 1.00 0.00 C ATOM 742 CD2 LEU A 62 2.214 -12.867 -0.978 1.00 0.00 C ATOM 0 H LEU A 62 0.384 -10.939 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 62 1.101 -13.617 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.300 -11.671 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.028 -13.318 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 62 2.461 -12.368 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.874 -10.338 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.601 -10.085 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.163 -10.320 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.222 -12.560 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.528 -12.647 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.204 -13.938 -1.182 1.00 0.00 H new ATOM 754 N MET A 63 -2.172 -13.099 -4.164 1.00 0.00 N ATOM 755 CA MET A 63 -3.477 -13.744 -4.315 1.00 0.00 C ATOM 756 C MET A 63 -3.491 -14.674 -5.524 1.00 0.00 C ATOM 757 O MET A 63 -3.771 -15.865 -5.397 1.00 0.00 O ATOM 758 CB MET A 63 -4.574 -12.690 -4.464 1.00 0.00 C ATOM 759 CG MET A 63 -5.950 -13.186 -4.046 1.00 0.00 C ATOM 760 SD MET A 63 -6.656 -12.231 -2.687 1.00 0.00 S ATOM 761 CE MET A 63 -5.241 -12.100 -1.597 1.00 0.00 C ATOM 0 H MET A 63 -2.219 -12.098 -3.973 1.00 0.00 H new ATOM 0 HA MET A 63 -3.665 -14.336 -3.419 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.313 -11.818 -3.865 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.614 -12.363 -5.503 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.623 -13.142 -4.903 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.879 -14.233 -3.750 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.572 -12.167 -0.561 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.543 -12.910 -1.808 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.745 -11.143 -1.758 1.00 0.00 H new ATOM 771 N ALA A 64 -3.175 -14.128 -6.691 1.00 0.00 N ATOM 772 CA ALA A 64 -3.141 -14.922 -7.911 1.00 0.00 C ATOM 773 C ALA A 64 -2.114 -16.044 -7.793 1.00 0.00 C ATOM 774 O ALA A 64 -2.219 -17.070 -8.465 1.00 0.00 O ATOM 775 CB ALA A 64 -2.826 -14.039 -9.110 1.00 0.00 C ATOM 0 H ALA A 64 -2.940 -13.144 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.124 -15.370 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.804 -14.647 -10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.593 -13.271 -9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.855 -13.565 -8.968 1.00 0.00 H new ATOM 781 N LYS A 65 -1.128 -15.847 -6.922 1.00 0.00 N ATOM 782 CA LYS A 65 -0.087 -16.838 -6.698 1.00 0.00 C ATOM 783 C LYS A 65 -0.573 -17.910 -5.730 1.00 0.00 C ATOM 784 O LYS A 65 -0.135 -19.059 -5.778 1.00 0.00 O ATOM 785 CB LYS A 65 1.177 -16.169 -6.150 1.00 0.00 C ATOM 786 CG LYS A 65 2.340 -16.171 -7.130 1.00 0.00 C ATOM 787 CD LYS A 65 3.676 -16.074 -6.410 1.00 0.00 C ATOM 788 CE LYS A 65 4.320 -14.708 -6.599 1.00 0.00 C ATOM 789 NZ LYS A 65 4.492 -13.992 -5.304 1.00 0.00 N ATOM 0 H LYS A 65 -1.031 -15.003 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 65 0.151 -17.309 -7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.944 -15.140 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.482 -16.680 -5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.313 -17.083 -7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.236 -15.334 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.531 -16.264 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.347 -16.847 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.291 -14.828 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.705 -14.106 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.606 -12.974 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.654 -14.147 -4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.336 -14.354 -4.816 1.00 0.00 H new ATOM 803 N ILE A 66 -1.475 -17.517 -4.841 1.00 0.00 N ATOM 804 CA ILE A 66 -2.013 -18.435 -3.848 1.00 0.00 C ATOM 805 C ILE A 66 -2.985 -19.428 -4.474 1.00 0.00 C ATOM 806 O ILE A 66 -2.987 -20.610 -4.129 1.00 0.00 O ATOM 807 CB ILE A 66 -2.736 -17.698 -2.704 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.151 -16.304 -2.481 1.00 0.00 C ATOM 809 CG2 ILE A 66 -2.650 -18.517 -1.432 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.664 -16.293 -2.187 1.00 0.00 C ATOM 0 H ILE A 66 -1.849 -16.570 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.154 -18.968 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.782 -17.575 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.339 -15.697 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.677 -15.830 -1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.163 -17.992 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.122 -19.487 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.604 -18.662 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.329 -15.266 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.468 -16.870 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.124 -16.735 -3.024 1.00 0.00 H new ATOM 822 N LYS A 67 -3.822 -18.938 -5.384 1.00 0.00 N ATOM 823 CA LYS A 67 -4.813 -19.781 -6.043 1.00 0.00 C ATOM 824 C LYS A 67 -4.279 -20.376 -7.344 1.00 0.00 C ATOM 825 O LYS A 67 -4.694 -21.460 -7.753 1.00 0.00 O ATOM 826 CB LYS A 67 -6.085 -18.974 -6.323 1.00 0.00 C ATOM 827 CG LYS A 67 -7.306 -19.481 -5.570 1.00 0.00 C ATOM 828 CD LYS A 67 -7.714 -18.527 -4.456 1.00 0.00 C ATOM 829 CE LYS A 67 -9.219 -18.302 -4.438 1.00 0.00 C ATOM 830 NZ LYS A 67 -9.891 -19.124 -3.395 1.00 0.00 N ATOM 0 H LYS A 67 -3.833 -17.962 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.043 -20.607 -5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.910 -17.932 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.292 -18.998 -7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.136 -19.606 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.092 -20.463 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.394 -18.930 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.204 -17.573 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.426 -17.247 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.634 -18.546 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.915 -18.942 -3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.715 -20.132 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.514 -18.873 -2.459 1.00 0.00 H new ATOM 844 N SER A 68 -3.367 -19.664 -8.000 1.00 0.00 N ATOM 845 CA SER A 68 -2.802 -20.136 -9.260 1.00 0.00 C ATOM 846 C SER A 68 -1.406 -20.719 -9.069 1.00 0.00 C ATOM 847 O SER A 68 -0.611 -20.764 -10.006 1.00 0.00 O ATOM 848 CB SER A 68 -2.759 -19.003 -10.286 1.00 0.00 C ATOM 849 OG SER A 68 -3.824 -18.089 -10.082 1.00 0.00 O ATOM 0 H SER A 68 -3.006 -18.764 -7.683 1.00 0.00 H new ATOM 0 HA SER A 68 -3.450 -20.930 -9.630 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.806 -18.478 -10.213 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.819 -19.417 -11.292 1.00 0.00 H new ATOM 0 HG SER A 68 -3.523 -17.361 -9.500 1.00 0.00 H new ATOM 855 N THR A 69 -1.120 -21.172 -7.855 1.00 0.00 N ATOM 856 CA THR A 69 0.173 -21.764 -7.535 1.00 0.00 C ATOM 857 C THR A 69 0.249 -22.142 -6.060 1.00 0.00 C ATOM 858 O THR A 69 -0.381 -21.509 -5.212 1.00 0.00 O ATOM 859 CB THR A 69 1.304 -20.800 -7.888 1.00 0.00 C ATOM 860 OG1 THR A 69 0.837 -19.463 -7.924 1.00 0.00 O ATOM 861 CG2 THR A 69 1.930 -21.099 -9.227 1.00 0.00 C ATOM 0 H THR A 69 -1.771 -21.140 -7.071 1.00 0.00 H new ATOM 0 HA THR A 69 0.284 -22.671 -8.129 1.00 0.00 H new ATOM 0 HB THR A 69 2.053 -20.931 -7.107 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.932 -19.059 -7.036 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.727 -20.382 -9.424 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.343 -22.108 -9.218 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.173 -21.024 -10.008 1.00 0.00 H new ATOM 869 N MET A 70 1.021 -23.182 -5.762 1.00 0.00 N ATOM 870 CA MET A 70 1.178 -23.648 -4.390 1.00 0.00 C ATOM 871 C MET A 70 2.104 -22.727 -3.604 1.00 0.00 C ATOM 872 O MET A 70 3.174 -23.138 -3.154 1.00 0.00 O ATOM 873 CB MET A 70 1.725 -25.079 -4.377 1.00 0.00 C ATOM 874 CG MET A 70 0.683 -26.130 -4.727 1.00 0.00 C ATOM 875 SD MET A 70 1.364 -27.480 -5.711 1.00 0.00 S ATOM 876 CE MET A 70 0.371 -27.352 -7.196 1.00 0.00 C ATOM 0 H MET A 70 1.547 -23.718 -6.452 1.00 0.00 H new ATOM 0 HA MET A 70 0.198 -23.636 -3.913 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.552 -25.150 -5.083 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.130 -25.296 -3.389 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.257 -26.534 -3.809 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.132 -25.659 -5.277 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.674 -28.123 -7.904 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.681 -27.485 -6.943 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.514 -26.370 -7.646 1.00 0.00 H new ATOM 886 N MET A 71 1.686 -21.476 -3.442 1.00 0.00 N ATOM 887 CA MET A 71 2.476 -20.495 -2.709 1.00 0.00 C ATOM 888 C MET A 71 2.651 -20.919 -1.253 1.00 0.00 C ATOM 889 O MET A 71 1.673 -21.183 -0.553 1.00 0.00 O ATOM 890 CB MET A 71 1.815 -19.117 -2.780 1.00 0.00 C ATOM 891 CG MET A 71 2.669 -18.070 -3.475 1.00 0.00 C ATOM 892 SD MET A 71 4.305 -17.905 -2.736 1.00 0.00 S ATOM 893 CE MET A 71 4.542 -16.134 -2.830 1.00 0.00 C ATOM 0 H MET A 71 0.804 -21.118 -3.809 1.00 0.00 H new ATOM 0 HA MET A 71 3.461 -20.437 -3.172 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.864 -19.206 -3.305 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.590 -18.778 -1.769 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.775 -18.334 -4.527 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.159 -17.107 -3.437 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.392 -15.914 -3.476 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.646 -15.668 -3.239 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.733 -15.739 -1.832 1.00 0.00 H new ATOM 903 N THR A 72 3.899 -20.982 -0.807 1.00 0.00 N ATOM 904 CA THR A 72 4.199 -21.373 0.565 1.00 0.00 C ATOM 905 C THR A 72 3.949 -20.215 1.525 1.00 0.00 C ATOM 906 O THR A 72 4.331 -19.077 1.252 1.00 0.00 O ATOM 907 CB THR A 72 5.651 -21.841 0.677 1.00 0.00 C ATOM 908 OG1 THR A 72 6.067 -22.475 -0.519 1.00 0.00 O ATOM 909 CG2 THR A 72 5.881 -22.811 1.816 1.00 0.00 C ATOM 0 H THR A 72 4.719 -20.768 -1.374 1.00 0.00 H new ATOM 0 HA THR A 72 3.538 -22.196 0.837 1.00 0.00 H new ATOM 0 HB THR A 72 6.232 -20.938 0.868 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.911 -22.080 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.931 -23.103 1.839 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.617 -22.334 2.760 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.261 -23.696 1.671 1.00 0.00 H new ATOM 917 N ARG A 73 3.303 -20.511 2.650 1.00 0.00 N ATOM 918 CA ARG A 73 3.000 -19.492 3.649 1.00 0.00 C ATOM 919 C ARG A 73 4.260 -18.726 4.044 1.00 0.00 C ATOM 920 O ARG A 73 4.208 -17.530 4.332 1.00 0.00 O ATOM 921 CB ARG A 73 2.363 -20.132 4.886 1.00 0.00 C ATOM 922 CG ARG A 73 0.949 -19.644 5.164 1.00 0.00 C ATOM 923 CD ARG A 73 0.909 -18.661 6.324 1.00 0.00 C ATOM 924 NE ARG A 73 0.526 -17.319 5.892 1.00 0.00 N ATOM 925 CZ ARG A 73 0.073 -16.376 6.715 1.00 0.00 C ATOM 926 NH1 ARG A 73 -0.058 -16.624 8.012 1.00 0.00 N ATOM 927 NH2 ARG A 73 -0.254 -15.181 6.242 1.00 0.00 N ATOM 0 H ARG A 73 2.980 -21.448 2.892 1.00 0.00 H new ATOM 0 HA ARG A 73 2.293 -18.788 3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.346 -21.214 4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.988 -19.924 5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.546 -19.168 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.308 -20.496 5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.203 -19.015 7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.889 -18.623 6.800 1.00 0.00 H new ATOM 0 HE ARG A 73 0.611 -17.091 4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.189 -17.541 8.383 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.406 -15.897 8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.159 -14.983 5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.601 -14.460 6.874 1.00 0.00 H new ATOM 941 N GLU A 74 5.395 -19.423 4.049 1.00 0.00 N ATOM 942 CA GLU A 74 6.667 -18.803 4.400 1.00 0.00 C ATOM 943 C GLU A 74 6.963 -17.635 3.466 1.00 0.00 C ATOM 944 O GLU A 74 7.321 -16.543 3.910 1.00 0.00 O ATOM 945 CB GLU A 74 7.797 -19.834 4.332 1.00 0.00 C ATOM 946 CG GLU A 74 8.191 -20.394 5.690 1.00 0.00 C ATOM 947 CD GLU A 74 9.530 -19.869 6.173 1.00 0.00 C ATOM 948 OE1 GLU A 74 9.977 -18.821 5.660 1.00 0.00 O ATOM 949 OE2 GLU A 74 10.129 -20.504 7.066 1.00 0.00 O ATOM 0 H GLU A 74 5.458 -20.414 3.815 1.00 0.00 H new ATOM 0 HA GLU A 74 6.599 -18.425 5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.490 -20.655 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.671 -19.374 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.422 -20.142 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.231 -21.482 5.632 1.00 0.00 H new ATOM 956 N GLN A 75 6.801 -17.873 2.169 1.00 0.00 N ATOM 957 CA GLN A 75 7.041 -16.841 1.168 1.00 0.00 C ATOM 958 C GLN A 75 6.068 -15.684 1.356 1.00 0.00 C ATOM 959 O GLN A 75 6.406 -14.526 1.107 1.00 0.00 O ATOM 960 CB GLN A 75 6.898 -17.423 -0.240 1.00 0.00 C ATOM 961 CG GLN A 75 8.133 -18.171 -0.718 1.00 0.00 C ATOM 962 CD GLN A 75 8.489 -19.342 0.178 1.00 0.00 C ATOM 963 OE1 GLN A 75 8.234 -20.498 -0.162 1.00 0.00 O ATOM 964 NE2 GLN A 75 9.082 -19.048 1.328 1.00 0.00 N ATOM 0 H GLN A 75 6.505 -18.771 1.787 1.00 0.00 H new ATOM 0 HA GLN A 75 8.058 -16.468 1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.044 -18.100 -0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.680 -16.615 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.964 -18.533 -1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.976 -17.482 -0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.274 -18.076 1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.346 -19.794 1.971 1.00 0.00 H new ATOM 973 N ILE A 76 4.859 -16.005 1.809 1.00 0.00 N ATOM 974 CA ILE A 76 3.837 -14.994 2.042 1.00 0.00 C ATOM 975 C ILE A 76 4.182 -14.151 3.264 1.00 0.00 C ATOM 976 O ILE A 76 3.971 -12.939 3.275 1.00 0.00 O ATOM 977 CB ILE A 76 2.447 -15.631 2.250 1.00 0.00 C ATOM 978 CG1 ILE A 76 2.138 -16.615 1.121 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.374 -14.555 2.338 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.988 -15.955 -0.233 1.00 0.00 C ATOM 0 H ILE A 76 4.565 -16.958 2.021 1.00 0.00 H new ATOM 0 HA ILE A 76 3.806 -14.361 1.155 1.00 0.00 H new ATOM 0 HB ILE A 76 2.454 -16.181 3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.935 -17.357 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.219 -17.151 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.401 -15.023 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.589 -13.894 3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.363 -13.976 1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.770 -16.713 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.172 -15.233 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.914 -15.442 -0.493 1.00 0.00 H new ATOM 992 N GLN A 77 4.720 -14.803 4.291 1.00 0.00 N ATOM 993 CA GLN A 77 5.101 -14.114 5.517 1.00 0.00 C ATOM 994 C GLN A 77 6.139 -13.036 5.227 1.00 0.00 C ATOM 995 O GLN A 77 5.968 -11.877 5.611 1.00 0.00 O ATOM 996 CB GLN A 77 5.651 -15.115 6.538 1.00 0.00 C ATOM 997 CG GLN A 77 4.732 -15.335 7.729 1.00 0.00 C ATOM 998 CD GLN A 77 4.996 -14.357 8.856 1.00 0.00 C ATOM 999 OE1 GLN A 77 5.702 -14.671 9.814 1.00 0.00 O ATOM 1000 NE2 GLN A 77 4.426 -13.162 8.748 1.00 0.00 N ATOM 0 H GLN A 77 4.901 -15.807 4.297 1.00 0.00 H new ATOM 0 HA GLN A 77 4.214 -13.636 5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.824 -16.070 6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.618 -14.762 6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.695 -15.240 7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.859 -16.353 8.098 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.848 -12.944 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.566 -12.462 9.477 1.00 0.00 H new ATOM 1009 N LYS A 78 7.212 -13.419 4.544 1.00 0.00 N ATOM 1010 CA LYS A 78 8.269 -12.477 4.201 1.00 0.00 C ATOM 1011 C LYS A 78 7.744 -11.410 3.254 1.00 0.00 C ATOM 1012 O LYS A 78 7.964 -10.219 3.469 1.00 0.00 O ATOM 1013 CB LYS A 78 9.460 -13.204 3.572 1.00 0.00 C ATOM 1014 CG LYS A 78 9.930 -14.407 4.373 1.00 0.00 C ATOM 1015 CD LYS A 78 11.093 -14.050 5.283 1.00 0.00 C ATOM 1016 CE LYS A 78 12.428 -14.401 4.646 1.00 0.00 C ATOM 1017 NZ LYS A 78 12.948 -13.292 3.800 1.00 0.00 N ATOM 0 H LYS A 78 7.372 -14.372 4.218 1.00 0.00 H new ATOM 0 HA LYS A 78 8.605 -11.995 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.187 -13.530 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.288 -12.503 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.104 -14.793 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.230 -15.204 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.066 -12.984 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.991 -14.579 6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.153 -14.633 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.315 -15.299 4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.897 -13.536 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.311 -13.144 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.000 -12.420 4.364 1.00 0.00 H new ATOM 1031 N GLU A 79 7.027 -11.836 2.218 1.00 0.00 N ATOM 1032 CA GLU A 79 6.457 -10.891 1.269 1.00 0.00 C ATOM 1033 C GLU A 79 5.580 -9.905 2.019 1.00 0.00 C ATOM 1034 O GLU A 79 5.521 -8.720 1.682 1.00 0.00 O ATOM 1035 CB GLU A 79 5.647 -11.620 0.194 1.00 0.00 C ATOM 1036 CG GLU A 79 6.499 -12.195 -0.924 1.00 0.00 C ATOM 1037 CD GLU A 79 5.733 -12.344 -2.225 1.00 0.00 C ATOM 1038 OE1 GLU A 79 4.891 -11.468 -2.520 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.973 -13.333 -2.947 1.00 0.00 O ATOM 0 H GLU A 79 6.830 -12.816 2.017 1.00 0.00 H new ATOM 0 HA GLU A 79 7.263 -10.355 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.083 -12.427 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.921 -10.929 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.362 -11.549 -1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.883 -13.169 -0.619 1.00 0.00 H new ATOM 1046 N TYR A 80 4.933 -10.396 3.071 1.00 0.00 N ATOM 1047 CA TYR A 80 4.101 -9.552 3.905 1.00 0.00 C ATOM 1048 C TYR A 80 4.987 -8.514 4.574 1.00 0.00 C ATOM 1049 O TYR A 80 4.606 -7.355 4.725 1.00 0.00 O ATOM 1050 CB TYR A 80 3.367 -10.385 4.957 1.00 0.00 C ATOM 1051 CG TYR A 80 2.147 -9.699 5.532 1.00 0.00 C ATOM 1052 CD1 TYR A 80 1.021 -9.471 4.750 1.00 0.00 C ATOM 1053 CD2 TYR A 80 2.121 -9.282 6.856 1.00 0.00 C ATOM 1054 CE1 TYR A 80 -0.095 -8.847 5.271 1.00 0.00 C ATOM 1055 CE2 TYR A 80 1.007 -8.656 7.385 1.00 0.00 C ATOM 1056 CZ TYR A 80 -0.097 -8.441 6.589 1.00 0.00 C ATOM 1057 OH TYR A 80 -1.207 -7.819 7.112 1.00 0.00 O ATOM 0 H TYR A 80 4.972 -11.373 3.362 1.00 0.00 H new ATOM 0 HA TYR A 80 3.348 -9.058 3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.064 -11.332 4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.057 -10.620 5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.019 -9.787 3.717 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.984 -9.449 7.483 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.962 -8.678 4.650 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.002 -8.337 8.417 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.045 -7.598 8.053 1.00 0.00 H new ATOM 1067 N ASP A 81 6.194 -8.943 4.949 1.00 0.00 N ATOM 1068 CA ASP A 81 7.156 -8.050 5.572 1.00 0.00 C ATOM 1069 C ASP A 81 7.663 -7.039 4.553 1.00 0.00 C ATOM 1070 O ASP A 81 7.882 -5.873 4.879 1.00 0.00 O ATOM 1071 CB ASP A 81 8.326 -8.842 6.159 1.00 0.00 C ATOM 1072 CG ASP A 81 7.878 -9.844 7.205 1.00 0.00 C ATOM 1073 OD1 ASP A 81 6.829 -9.612 7.838 1.00 0.00 O ATOM 1074 OD2 ASP A 81 8.579 -10.863 7.388 1.00 0.00 O ATOM 0 H ASP A 81 6.522 -9.901 4.830 1.00 0.00 H new ATOM 0 HA ASP A 81 6.661 -7.518 6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.846 -9.366 5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.042 -8.151 6.604 1.00 0.00 H new ATOM 1079 N ALA A 82 7.830 -7.488 3.307 1.00 0.00 N ATOM 1080 CA ALA A 82 8.290 -6.603 2.247 1.00 0.00 C ATOM 1081 C ALA A 82 7.315 -5.448 2.085 1.00 0.00 C ATOM 1082 O ALA A 82 7.712 -4.310 1.825 1.00 0.00 O ATOM 1083 CB ALA A 82 8.439 -7.367 0.941 1.00 0.00 C ATOM 0 H ALA A 82 7.655 -8.449 3.014 1.00 0.00 H new ATOM 0 HA ALA A 82 9.268 -6.204 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.784 -6.689 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.164 -8.170 1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.476 -7.790 0.655 1.00 0.00 H new ATOM 1089 N LEU A 83 6.034 -5.750 2.264 1.00 0.00 N ATOM 1090 CA LEU A 83 4.989 -4.743 2.163 1.00 0.00 C ATOM 1091 C LEU A 83 4.968 -3.885 3.423 1.00 0.00 C ATOM 1092 O LEU A 83 4.643 -2.698 3.373 1.00 0.00 O ATOM 1093 CB LEU A 83 3.626 -5.404 1.954 1.00 0.00 C ATOM 1094 CG LEU A 83 3.569 -6.425 0.817 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.538 -7.502 1.115 1.00 0.00 C ATOM 1096 CD2 LEU A 83 3.256 -5.733 -0.503 1.00 0.00 C ATOM 0 H LEU A 83 5.695 -6.688 2.480 1.00 0.00 H new ATOM 0 HA LEU A 83 5.200 -4.107 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.333 -5.898 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.888 -4.626 1.760 1.00 0.00 H new ATOM 0 HG LEU A 83 4.545 -6.902 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.513 -8.219 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.806 -8.017 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.555 -7.044 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.219 -6.473 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.292 -5.229 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.033 -5.000 -0.723 1.00 0.00 H new ATOM 1108 N VAL A 84 5.333 -4.491 4.553 1.00 0.00 N ATOM 1109 CA VAL A 84 5.367 -3.775 5.821 1.00 0.00 C ATOM 1110 C VAL A 84 6.499 -2.756 5.827 1.00 0.00 C ATOM 1111 O VAL A 84 6.373 -1.676 6.402 1.00 0.00 O ATOM 1112 CB VAL A 84 5.543 -4.741 7.010 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.524 -3.982 8.329 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.464 -5.815 6.991 1.00 0.00 C ATOM 0 H VAL A 84 5.607 -5.472 4.613 1.00 0.00 H new ATOM 0 HA VAL A 84 4.412 -3.261 5.930 1.00 0.00 H new ATOM 0 HB VAL A 84 6.513 -5.228 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.650 -4.683 9.154 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.337 -3.256 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.572 -3.463 8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.605 -6.487 7.837 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.482 -5.346 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.531 -6.382 6.062 1.00 0.00 H new ATOM 1124 N LYS A 85 7.605 -3.105 5.174 1.00 0.00 N ATOM 1125 CA LYS A 85 8.757 -2.215 5.096 1.00 0.00 C ATOM 1126 C LYS A 85 8.461 -1.043 4.169 1.00 0.00 C ATOM 1127 O LYS A 85 8.678 0.115 4.523 1.00 0.00 O ATOM 1128 CB LYS A 85 9.988 -2.977 4.604 1.00 0.00 C ATOM 1129 CG LYS A 85 11.283 -2.192 4.739 1.00 0.00 C ATOM 1130 CD LYS A 85 11.783 -2.186 6.174 1.00 0.00 C ATOM 1131 CE LYS A 85 13.301 -2.202 6.235 1.00 0.00 C ATOM 1132 NZ LYS A 85 13.866 -0.833 6.398 1.00 0.00 N ATOM 0 H LYS A 85 7.726 -3.996 4.693 1.00 0.00 H new ATOM 0 HA LYS A 85 8.961 -1.828 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.077 -3.908 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.844 -3.247 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.043 -2.627 4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.125 -1.167 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.407 -1.301 6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.387 -3.054 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.624 -2.829 7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.696 -2.651 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.904 -0.888 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.579 -0.241 5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.510 -0.413 7.280 1.00 0.00 H new ATOM 1146 N SER A 86 7.954 -1.359 2.984 1.00 0.00 N ATOM 1147 CA SER A 86 7.616 -0.334 2.002 1.00 0.00 C ATOM 1148 C SER A 86 6.456 0.516 2.500 1.00 0.00 C ATOM 1149 O SER A 86 6.477 1.744 2.391 1.00 0.00 O ATOM 1150 CB SER A 86 7.256 -0.979 0.662 1.00 0.00 C ATOM 1151 OG SER A 86 8.420 -1.381 -0.039 1.00 0.00 O ATOM 0 H SER A 86 7.768 -2.314 2.679 1.00 0.00 H new ATOM 0 HA SER A 86 8.485 0.308 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.613 -1.843 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.688 -0.273 0.056 1.00 0.00 H new ATOM 0 HG SER A 86 8.163 -1.792 -0.891 1.00 0.00 H new ATOM 1157 N SER A 87 5.448 -0.146 3.058 1.00 0.00 N ATOM 1158 CA SER A 87 4.279 0.547 3.584 1.00 0.00 C ATOM 1159 C SER A 87 4.680 1.490 4.711 1.00 0.00 C ATOM 1160 O SER A 87 4.290 2.656 4.724 1.00 0.00 O ATOM 1161 CB SER A 87 3.244 -0.462 4.090 1.00 0.00 C ATOM 1162 OG SER A 87 3.746 -1.197 5.193 1.00 0.00 O ATOM 0 H SER A 87 5.418 -1.161 3.157 1.00 0.00 H new ATOM 0 HA SER A 87 3.836 1.132 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.333 0.061 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.975 -1.146 3.285 1.00 0.00 H new ATOM 0 HG SER A 87 4.400 -1.855 4.877 1.00 0.00 H new ATOM 1168 N GLU A 88 5.468 0.977 5.652 1.00 0.00 N ATOM 1169 CA GLU A 88 5.930 1.776 6.781 1.00 0.00 C ATOM 1170 C GLU A 88 6.638 3.035 6.296 1.00 0.00 C ATOM 1171 O GLU A 88 6.456 4.119 6.853 1.00 0.00 O ATOM 1172 CB GLU A 88 6.870 0.955 7.666 1.00 0.00 C ATOM 1173 CG GLU A 88 6.160 0.224 8.793 1.00 0.00 C ATOM 1174 CD GLU A 88 7.023 0.088 10.032 1.00 0.00 C ATOM 1175 OE1 GLU A 88 8.039 -0.637 9.971 1.00 0.00 O ATOM 1176 OE2 GLU A 88 6.684 0.704 11.063 1.00 0.00 O ATOM 0 H GLU A 88 5.799 0.012 5.654 1.00 0.00 H new ATOM 0 HA GLU A 88 5.060 2.071 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.396 0.228 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.625 1.616 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.245 0.758 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.865 -0.767 8.449 1.00 0.00 H new ATOM 1183 N ASP A 89 7.444 2.884 5.251 1.00 0.00 N ATOM 1184 CA ASP A 89 8.177 4.008 4.682 1.00 0.00 C ATOM 1185 C ASP A 89 7.214 5.031 4.087 1.00 0.00 C ATOM 1186 O ASP A 89 7.465 6.235 4.132 1.00 0.00 O ATOM 1187 CB ASP A 89 9.152 3.521 3.609 1.00 0.00 C ATOM 1188 CG ASP A 89 10.442 2.988 4.200 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.372 2.205 5.171 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.523 3.353 3.692 1.00 0.00 O ATOM 0 H ASP A 89 7.606 1.994 4.781 1.00 0.00 H new ATOM 0 HA ASP A 89 8.743 4.486 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.676 2.739 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.379 4.342 2.929 1.00 0.00 H new ATOM 1195 N LEU A 90 6.109 4.542 3.532 1.00 0.00 N ATOM 1196 CA LEU A 90 5.105 5.413 2.930 1.00 0.00 C ATOM 1197 C LEU A 90 4.486 6.330 3.978 1.00 0.00 C ATOM 1198 O LEU A 90 4.352 7.534 3.763 1.00 0.00 O ATOM 1199 CB LEU A 90 4.016 4.577 2.251 1.00 0.00 C ATOM 1200 CG LEU A 90 2.833 5.376 1.703 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.285 4.725 0.443 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.741 5.500 2.758 1.00 0.00 C ATOM 0 H LEU A 90 5.886 3.548 3.487 1.00 0.00 H new ATOM 0 HA LEU A 90 5.596 6.032 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.467 4.017 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.641 3.847 2.968 1.00 0.00 H new ATOM 0 HG LEU A 90 3.182 6.376 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.444 5.308 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.066 4.686 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.951 3.713 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.906 6.071 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.396 4.506 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.138 6.011 3.635 1.00 0.00 H new ATOM 1214 N LEU A 91 4.120 5.755 5.117 1.00 0.00 N ATOM 1215 CA LEU A 91 3.527 6.529 6.202 1.00 0.00 C ATOM 1216 C LEU A 91 4.531 7.542 6.720 1.00 0.00 C ATOM 1217 O LEU A 91 4.216 8.721 6.891 1.00 0.00 O ATOM 1218 CB LEU A 91 3.078 5.619 7.347 1.00 0.00 C ATOM 1219 CG LEU A 91 2.527 4.264 6.917 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.257 3.387 8.130 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.263 4.439 6.089 1.00 0.00 C ATOM 0 H LEU A 91 4.223 4.759 5.314 1.00 0.00 H new ATOM 0 HA LEU A 91 2.651 7.047 5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.925 5.455 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.313 6.138 7.925 1.00 0.00 H new ATOM 0 HG LEU A 91 3.276 3.770 6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.864 2.424 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.185 3.232 8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.528 3.875 8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.885 3.461 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.508 4.955 6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.489 5.027 5.199 1.00 0.00 H new ATOM 1233 N SER A 92 5.749 7.070 6.959 1.00 0.00 N ATOM 1234 CA SER A 92 6.820 7.928 7.451 1.00 0.00 C ATOM 1235 C SER A 92 7.038 9.107 6.508 1.00 0.00 C ATOM 1236 O SER A 92 7.268 10.234 6.947 1.00 0.00 O ATOM 1237 CB SER A 92 8.117 7.128 7.598 1.00 0.00 C ATOM 1238 OG SER A 92 8.730 6.914 6.340 1.00 0.00 O ATOM 0 H SER A 92 6.020 6.096 6.820 1.00 0.00 H new ATOM 0 HA SER A 92 6.529 8.313 8.429 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.804 7.661 8.255 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.905 6.169 8.070 1.00 0.00 H new ATOM 0 HG SER A 92 8.052 6.639 5.688 1.00 0.00 H new ATOM 1244 N ALA A 93 6.955 8.839 5.209 1.00 0.00 N ATOM 1245 CA ALA A 93 7.134 9.877 4.204 1.00 0.00 C ATOM 1246 C ALA A 93 6.007 10.901 4.284 1.00 0.00 C ATOM 1247 O ALA A 93 6.246 12.110 4.280 1.00 0.00 O ATOM 1248 CB ALA A 93 7.198 9.264 2.813 1.00 0.00 C ATOM 0 H ALA A 93 6.765 7.912 4.829 1.00 0.00 H new ATOM 0 HA ALA A 93 8.077 10.388 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.332 10.053 2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.037 8.570 2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.271 8.729 2.608 1.00 0.00 H new ATOM 1254 N LEU A 94 4.775 10.407 4.362 1.00 0.00 N ATOM 1255 CA LEU A 94 3.609 11.276 4.452 1.00 0.00 C ATOM 1256 C LEU A 94 3.721 12.201 5.656 1.00 0.00 C ATOM 1257 O LEU A 94 3.462 13.401 5.559 1.00 0.00 O ATOM 1258 CB LEU A 94 2.330 10.443 4.545 1.00 0.00 C ATOM 1259 CG LEU A 94 1.938 9.714 3.258 1.00 0.00 C ATOM 1260 CD1 LEU A 94 0.765 8.779 3.510 1.00 0.00 C ATOM 1261 CD2 LEU A 94 1.602 10.713 2.163 1.00 0.00 C ATOM 0 H LEU A 94 4.560 9.410 4.365 1.00 0.00 H new ATOM 0 HA LEU A 94 3.566 11.886 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.451 9.707 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.509 11.097 4.839 1.00 0.00 H new ATOM 0 HG LEU A 94 2.787 9.115 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.500 8.269 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.043 8.042 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.090 9.355 3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.325 10.178 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.769 11.338 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.471 11.341 1.964 1.00 0.00 H new ATOM 1273 N GLN A 95 4.122 11.636 6.790 1.00 0.00 N ATOM 1274 CA GLN A 95 4.282 12.412 8.014 1.00 0.00 C ATOM 1275 C GLN A 95 5.309 13.518 7.810 1.00 0.00 C ATOM 1276 O GLN A 95 5.126 14.642 8.276 1.00 0.00 O ATOM 1277 CB GLN A 95 4.707 11.505 9.171 1.00 0.00 C ATOM 1278 CG GLN A 95 3.541 10.985 9.996 1.00 0.00 C ATOM 1279 CD GLN A 95 2.936 9.722 9.416 1.00 0.00 C ATOM 1280 OE1 GLN A 95 2.282 9.853 8.267 1.00 0.00 O flip ATOM 1281 NE2 GLN A 95 3.053 8.641 9.993 1.00 0.00 N flip ATOM 0 H GLN A 95 4.342 10.645 6.887 1.00 0.00 H new ATOM 0 HA GLN A 95 3.323 12.866 8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.265 10.658 8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.386 12.055 9.823 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.879 10.788 11.013 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.773 11.756 10.059 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.564 8.586 10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.639 7.800 9.590 1.00 0.00 H new ATOM 1290 N LYS A 96 6.380 13.196 7.094 1.00 0.00 N ATOM 1291 CA LYS A 96 7.421 14.173 6.812 1.00 0.00 C ATOM 1292 C LYS A 96 6.856 15.298 5.952 1.00 0.00 C ATOM 1293 O LYS A 96 7.315 16.440 6.015 1.00 0.00 O ATOM 1294 CB LYS A 96 8.600 13.510 6.097 1.00 0.00 C ATOM 1295 CG LYS A 96 9.270 12.415 6.915 1.00 0.00 C ATOM 1296 CD LYS A 96 10.778 12.613 6.990 1.00 0.00 C ATOM 1297 CE LYS A 96 11.526 11.341 6.618 1.00 0.00 C ATOM 1298 NZ LYS A 96 12.910 11.626 6.152 1.00 0.00 N ATOM 0 H LYS A 96 6.549 12.270 6.700 1.00 0.00 H new ATOM 0 HA LYS A 96 7.776 14.586 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.252 13.087 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.340 14.272 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.853 12.406 7.922 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.052 11.444 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.074 13.420 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.056 12.918 7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.563 10.677 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.980 10.815 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.385 10.733 5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.874 12.239 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.439 12.105 6.908 1.00 0.00 H new ATOM 1312 N LYS A 97 5.852 14.959 5.147 1.00 0.00 N ATOM 1313 CA LYS A 97 5.209 15.924 4.265 1.00 0.00 C ATOM 1314 C LYS A 97 4.401 16.946 5.057 1.00 0.00 C ATOM 1315 O LYS A 97 4.637 18.150 4.959 1.00 0.00 O ATOM 1316 CB LYS A 97 4.300 15.198 3.271 1.00 0.00 C ATOM 1317 CG LYS A 97 4.619 15.507 1.817 1.00 0.00 C ATOM 1318 CD LYS A 97 4.947 14.244 1.034 1.00 0.00 C ATOM 1319 CE LYS A 97 4.258 14.233 -0.322 1.00 0.00 C ATOM 1320 NZ LYS A 97 4.580 13.005 -1.099 1.00 0.00 N ATOM 0 H LYS A 97 5.466 14.017 5.089 1.00 0.00 H new ATOM 0 HA LYS A 97 5.989 16.457 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.384 14.123 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.264 15.470 3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.769 16.011 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.462 16.196 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.026 14.170 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.639 13.369 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.179 14.301 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.562 15.112 -0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.900 12.899 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.542 13.082 -1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.524 12.175 -0.475 1.00 0.00 H new