USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 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 65 LYS NZ :NH3+ -109:sc= 0.938 (180deg=-1.43!) USER MOD Set 1.2: A 71 MET CE :methyl -141:sc= -4.22 (180deg=-8.02!) USER MOD Single : A 20 SER OG : rot 160:sc= -0.673 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 75:sc= 0.598 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.21) 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= -0.78 K(o=-0.78,f=-3!) USER MOD Single : A 39 SER OG : rot 78:sc= 0.0177 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.67) USER MOD Single : A 51 GLN : amide:sc= 0.779 K(o=0.78,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -2.66 F(o=-3.8,f=-2.7) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -164:sc= -5.12 (180deg=-6.1!) USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= -1.36 (180deg=-1.42) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0433 USER MOD Single : A 69 THR OG1 : rot -83:sc= 1.05 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 77 GLN : amide:sc= -0.0018 X(o=-0.0018,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0182) 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 81:sc= 1.21 USER MOD Single : A 92 SER OG : rot 75:sc= 0.0309 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 140:sc= 0.948 (180deg=-0.896) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 20 -3.919 -18.249 4.201 1.00 0.00 N ATOM 47 CA SER A 20 -3.074 -17.061 4.143 1.00 0.00 C ATOM 48 C SER A 20 -3.719 -15.966 3.297 1.00 0.00 C ATOM 49 O SER A 20 -3.376 -14.791 3.423 1.00 0.00 O ATOM 50 CB SER A 20 -1.699 -17.418 3.572 1.00 0.00 C ATOM 51 OG SER A 20 -0.724 -16.463 3.954 1.00 0.00 O ATOM 0 HA SER A 20 -2.955 -16.683 5.159 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.402 -18.406 3.923 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.756 -17.470 2.485 1.00 0.00 H new ATOM 0 HG SER A 20 0.170 -16.855 3.866 1.00 0.00 H new ATOM 57 N LEU A 21 -4.654 -16.357 2.434 1.00 0.00 N ATOM 58 CA LEU A 21 -5.343 -15.407 1.568 1.00 0.00 C ATOM 59 C LEU A 21 -5.982 -14.284 2.379 1.00 0.00 C ATOM 60 O LEU A 21 -6.071 -13.146 1.917 1.00 0.00 O ATOM 61 CB LEU A 21 -6.411 -16.125 0.741 1.00 0.00 C ATOM 62 CG LEU A 21 -5.897 -16.808 -0.530 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.447 -18.222 -0.638 1.00 0.00 C ATOM 64 CD2 LEU A 21 -6.268 -15.994 -1.761 1.00 0.00 C ATOM 0 H LEU A 21 -4.951 -17.326 2.317 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.605 -14.966 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.892 -16.875 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.179 -15.403 0.462 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.810 -16.867 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.070 -18.690 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.129 -18.803 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.536 -18.187 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.895 -16.495 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.352 -15.902 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.823 -15.002 -1.689 1.00 0.00 H new ATOM 76 N VAL A 22 -6.429 -14.609 3.588 1.00 0.00 N ATOM 77 CA VAL A 22 -7.061 -13.623 4.457 1.00 0.00 C ATOM 78 C VAL A 22 -6.094 -12.497 4.807 1.00 0.00 C ATOM 79 O VAL A 22 -6.408 -11.321 4.631 1.00 0.00 O ATOM 80 CB VAL A 22 -7.576 -14.267 5.759 1.00 0.00 C ATOM 81 CG1 VAL A 22 -8.328 -13.246 6.601 1.00 0.00 C ATOM 82 CG2 VAL A 22 -8.460 -15.465 5.448 1.00 0.00 C ATOM 0 H VAL A 22 -6.365 -15.545 3.987 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.907 -13.213 3.905 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.718 -14.616 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.684 -13.720 7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.661 -12.422 6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.178 -12.864 6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.814 -15.907 6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.313 -15.142 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.887 -16.205 4.890 1.00 0.00 H new ATOM 92 N LYS A 23 -4.916 -12.866 5.304 1.00 0.00 N ATOM 93 CA LYS A 23 -3.902 -11.884 5.681 1.00 0.00 C ATOM 94 C LYS A 23 -3.641 -10.905 4.541 1.00 0.00 C ATOM 95 O LYS A 23 -3.576 -9.693 4.749 1.00 0.00 O ATOM 96 CB LYS A 23 -2.601 -12.587 6.078 1.00 0.00 C ATOM 97 CG LYS A 23 -2.341 -12.585 7.575 1.00 0.00 C ATOM 98 CD LYS A 23 -3.118 -13.687 8.277 1.00 0.00 C ATOM 99 CE LYS A 23 -4.544 -13.255 8.582 1.00 0.00 C ATOM 100 NZ LYS A 23 -5.350 -14.369 9.153 1.00 0.00 N ATOM 0 H LYS A 23 -4.640 -13.836 5.455 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.277 -11.323 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.632 -13.618 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.766 -12.102 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.275 -12.715 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.621 -11.618 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.133 -14.579 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.612 -13.957 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.529 -12.421 9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.018 -12.895 7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.315 -14.035 9.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.386 -15.155 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.912 -14.696 10.038 1.00 0.00 H new ATOM 114 N VAL A 24 -3.499 -11.441 3.336 1.00 0.00 N ATOM 115 CA VAL A 24 -3.251 -10.619 2.158 1.00 0.00 C ATOM 116 C VAL A 24 -4.393 -9.631 1.939 1.00 0.00 C ATOM 117 O VAL A 24 -4.166 -8.437 1.740 1.00 0.00 O ATOM 118 CB VAL A 24 -3.077 -11.484 0.895 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.671 -10.625 -0.291 1.00 0.00 C ATOM 120 CG2 VAL A 24 -2.057 -12.587 1.136 1.00 0.00 C ATOM 0 H VAL A 24 -3.551 -12.442 3.148 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.326 -10.070 2.336 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.035 -11.951 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.553 -11.255 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.441 -9.877 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.727 -10.126 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.949 -13.186 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.096 -12.143 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.395 -13.223 1.954 1.00 0.00 H new ATOM 130 N GLY A 25 -5.622 -10.136 1.986 1.00 0.00 N ATOM 131 CA GLY A 25 -6.780 -9.284 1.800 1.00 0.00 C ATOM 132 C GLY A 25 -6.888 -8.228 2.882 1.00 0.00 C ATOM 133 O GLY A 25 -7.232 -7.076 2.607 1.00 0.00 O ATOM 0 H GLY A 25 -5.835 -11.120 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.721 -8.800 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.683 -9.895 1.798 1.00 0.00 H new ATOM 137 N THR A 26 -6.584 -8.618 4.116 1.00 0.00 N ATOM 138 CA THR A 26 -6.638 -7.697 5.244 1.00 0.00 C ATOM 139 C THR A 26 -5.744 -6.491 4.983 1.00 0.00 C ATOM 140 O THR A 26 -6.121 -5.351 5.255 1.00 0.00 O ATOM 141 CB THR A 26 -6.206 -8.403 6.531 1.00 0.00 C ATOM 142 OG1 THR A 26 -6.589 -9.767 6.508 1.00 0.00 O ATOM 143 CG2 THR A 26 -6.796 -7.785 7.780 1.00 0.00 C ATOM 0 H THR A 26 -6.298 -9.566 4.359 1.00 0.00 H new ATOM 0 HA THR A 26 -7.666 -7.354 5.362 1.00 0.00 H new ATOM 0 HB THR A 26 -5.122 -8.296 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.997 -10.263 5.905 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.449 -8.333 8.656 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.480 -6.744 7.855 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.884 -7.831 7.730 1.00 0.00 H new ATOM 151 N LEU A 27 -4.561 -6.752 4.439 1.00 0.00 N ATOM 152 CA LEU A 27 -3.618 -5.688 4.124 1.00 0.00 C ATOM 153 C LEU A 27 -4.191 -4.783 3.046 1.00 0.00 C ATOM 154 O LEU A 27 -4.080 -3.559 3.127 1.00 0.00 O ATOM 155 CB LEU A 27 -2.279 -6.271 3.668 1.00 0.00 C ATOM 156 CG LEU A 27 -1.132 -5.264 3.579 1.00 0.00 C ATOM 157 CD1 LEU A 27 -0.960 -4.532 4.900 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.160 -5.964 3.183 1.00 0.00 C ATOM 0 H LEU A 27 -4.233 -7.690 4.208 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.448 -5.100 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.992 -7.065 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.415 -6.732 2.689 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.376 -4.530 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.139 -3.820 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.879 -3.999 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.738 -5.251 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.967 -5.233 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.408 -6.719 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.032 -6.442 2.212 1.00 0.00 H new ATOM 170 N LYS A 28 -4.829 -5.387 2.044 1.00 0.00 N ATOM 171 CA LYS A 28 -5.441 -4.616 0.970 1.00 0.00 C ATOM 172 C LYS A 28 -6.363 -3.566 1.569 1.00 0.00 C ATOM 173 O LYS A 28 -6.410 -2.420 1.113 1.00 0.00 O ATOM 174 CB LYS A 28 -6.225 -5.532 0.026 1.00 0.00 C ATOM 175 CG LYS A 28 -6.638 -4.857 -1.272 1.00 0.00 C ATOM 176 CD LYS A 28 -7.792 -5.590 -1.939 1.00 0.00 C ATOM 177 CE LYS A 28 -7.321 -6.409 -3.128 1.00 0.00 C ATOM 178 NZ LYS A 28 -6.768 -5.550 -4.212 1.00 0.00 N ATOM 0 H LYS A 28 -4.933 -6.398 1.956 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.657 -4.126 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.617 -6.407 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.117 -5.891 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.928 -3.826 -1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.787 -4.822 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.276 -6.245 -1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.541 -4.869 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.559 -7.117 -2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.154 -6.994 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.366 -6.151 -4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.528 -4.962 -4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.024 -4.936 -3.823 1.00 0.00 H new ATOM 192 N LYS A 29 -7.072 -3.961 2.622 1.00 0.00 N ATOM 193 CA LYS A 29 -7.968 -3.056 3.321 1.00 0.00 C ATOM 194 C LYS A 29 -7.158 -1.942 3.969 1.00 0.00 C ATOM 195 O LYS A 29 -7.532 -0.768 3.911 1.00 0.00 O ATOM 196 CB LYS A 29 -8.775 -3.808 4.382 1.00 0.00 C ATOM 197 CG LYS A 29 -10.117 -4.316 3.879 1.00 0.00 C ATOM 198 CD LYS A 29 -10.007 -5.728 3.328 1.00 0.00 C ATOM 199 CE LYS A 29 -11.367 -6.275 2.924 1.00 0.00 C ATOM 200 NZ LYS A 29 -11.991 -7.074 4.014 1.00 0.00 N ATOM 0 H LYS A 29 -7.041 -4.905 3.008 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.667 -2.626 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.188 -4.653 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.942 -3.149 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.842 -4.297 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.492 -3.649 3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.341 -5.732 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.560 -6.379 4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.026 -5.449 2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.259 -6.896 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.916 -7.429 3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.375 -7.877 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.118 -6.475 4.854 1.00 0.00 H new ATOM 214 N ARG A 30 -6.028 -2.315 4.569 1.00 0.00 N ATOM 215 CA ARG A 30 -5.152 -1.341 5.204 1.00 0.00 C ATOM 216 C ARG A 30 -4.609 -0.375 4.158 1.00 0.00 C ATOM 217 O ARG A 30 -4.371 0.799 4.441 1.00 0.00 O ATOM 218 CB ARG A 30 -3.998 -2.047 5.923 1.00 0.00 C ATOM 219 CG ARG A 30 -3.801 -1.580 7.357 1.00 0.00 C ATOM 220 CD ARG A 30 -3.237 -2.690 8.230 1.00 0.00 C ATOM 221 NE ARG A 30 -2.452 -2.162 9.344 1.00 0.00 N ATOM 222 CZ ARG A 30 -1.252 -1.603 9.206 1.00 0.00 C ATOM 223 NH1 ARG A 30 -0.695 -1.498 8.005 1.00 0.00 N ATOM 224 NH2 ARG A 30 -0.608 -1.147 10.271 1.00 0.00 N ATOM 0 H ARG A 30 -5.702 -3.280 4.627 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.726 -0.781 5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.182 -3.121 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.077 -1.881 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.126 -0.724 7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.754 -1.242 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.055 -3.298 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.612 -3.346 7.624 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.847 -2.226 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.187 -1.847 7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.225 -1.069 7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.032 -1.225 11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.312 -0.718 10.166 1.00 0.00 H new ATOM 238 N LEU A 31 -4.433 -0.879 2.939 1.00 0.00 N ATOM 239 CA LEU A 31 -3.937 -0.067 1.837 1.00 0.00 C ATOM 240 C LEU A 31 -4.907 1.072 1.549 1.00 0.00 C ATOM 241 O LEU A 31 -4.512 2.237 1.472 1.00 0.00 O ATOM 242 CB LEU A 31 -3.750 -0.927 0.586 1.00 0.00 C ATOM 243 CG LEU A 31 -2.724 -0.399 -0.417 1.00 0.00 C ATOM 244 CD1 LEU A 31 -2.138 -1.542 -1.232 1.00 0.00 C ATOM 245 CD2 LEU A 31 -3.358 0.640 -1.330 1.00 0.00 C ATOM 0 H LEU A 31 -4.628 -1.849 2.692 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.972 0.353 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.451 -1.929 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.712 -1.022 0.082 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.915 0.078 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.410 -1.148 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.648 -2.251 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.936 -2.048 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.614 1.005 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.186 0.188 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.729 1.472 -0.732 1.00 0.00 H new ATOM 257 N ASP A 32 -6.184 0.726 1.403 1.00 0.00 N ATOM 258 CA ASP A 32 -7.217 1.719 1.140 1.00 0.00 C ATOM 259 C ASP A 32 -7.235 2.765 2.249 1.00 0.00 C ATOM 260 O ASP A 32 -7.413 3.958 1.995 1.00 0.00 O ATOM 261 CB ASP A 32 -8.587 1.049 1.027 1.00 0.00 C ATOM 262 CG ASP A 32 -8.872 0.550 -0.375 1.00 0.00 C ATOM 263 OD1 ASP A 32 -7.928 0.075 -1.041 1.00 0.00 O ATOM 264 OD2 ASP A 32 -10.041 0.633 -0.810 1.00 0.00 O ATOM 0 H ASP A 32 -6.526 -0.233 1.463 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.992 2.211 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.638 0.213 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.361 1.758 1.322 1.00 0.00 H new ATOM 269 N LYS A 33 -7.037 2.307 3.483 1.00 0.00 N ATOM 270 CA LYS A 33 -7.017 3.198 4.636 1.00 0.00 C ATOM 271 C LYS A 33 -5.940 4.266 4.460 1.00 0.00 C ATOM 272 O LYS A 33 -6.175 5.450 4.711 1.00 0.00 O ATOM 273 CB LYS A 33 -6.765 2.393 5.916 1.00 0.00 C ATOM 274 CG LYS A 33 -6.498 3.251 7.144 1.00 0.00 C ATOM 275 CD LYS A 33 -7.672 4.165 7.454 1.00 0.00 C ATOM 276 CE LYS A 33 -7.214 5.458 8.107 1.00 0.00 C ATOM 277 NZ LYS A 33 -8.206 5.965 9.096 1.00 0.00 N ATOM 0 H LYS A 33 -6.888 1.323 3.708 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.985 3.692 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.630 1.758 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.914 1.732 5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.300 2.608 8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.602 3.851 6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.211 4.392 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.371 3.651 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.258 5.294 8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.049 6.214 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.855 6.848 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.112 6.146 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.345 5.255 9.843 1.00 0.00 H new ATOM 291 N PHE A 34 -4.761 3.840 4.016 1.00 0.00 N ATOM 292 CA PHE A 34 -3.652 4.759 3.794 1.00 0.00 C ATOM 293 C PHE A 34 -4.036 5.816 2.766 1.00 0.00 C ATOM 294 O PHE A 34 -3.752 7.001 2.941 1.00 0.00 O ATOM 295 CB PHE A 34 -2.412 3.996 3.324 1.00 0.00 C ATOM 296 CG PHE A 34 -1.864 3.048 4.352 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.744 3.433 5.678 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.468 1.769 3.992 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.240 2.562 6.626 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.963 0.894 4.936 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.849 1.291 6.253 1.00 0.00 C ATOM 0 H PHE A 34 -4.550 2.865 3.803 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.422 5.254 4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.660 3.437 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.636 4.712 3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.048 4.426 5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.555 1.453 2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.152 2.875 7.656 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.658 -0.100 4.643 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.454 0.608 6.991 1.00 0.00 H new ATOM 311 N ASN A 35 -4.693 5.378 1.696 1.00 0.00 N ATOM 312 CA ASN A 35 -5.129 6.286 0.640 1.00 0.00 C ATOM 313 C ASN A 35 -6.009 7.388 1.217 1.00 0.00 C ATOM 314 O ASN A 35 -5.894 8.552 0.834 1.00 0.00 O ATOM 315 CB ASN A 35 -5.892 5.518 -0.441 1.00 0.00 C ATOM 316 CG ASN A 35 -4.975 4.956 -1.508 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.448 5.695 -2.342 1.00 0.00 O ATOM 318 ND2 ASN A 35 -4.778 3.643 -1.489 1.00 0.00 N ATOM 0 H ASN A 35 -4.935 4.400 1.537 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.246 6.741 0.191 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.449 4.703 0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.623 6.180 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.170 3.208 -2.183 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.235 3.069 -0.780 1.00 0.00 H new ATOM 325 N GLU A 36 -6.883 7.014 2.148 1.00 0.00 N ATOM 326 CA GLU A 36 -7.775 7.973 2.787 1.00 0.00 C ATOM 327 C GLU A 36 -6.968 9.051 3.500 1.00 0.00 C ATOM 328 O GLU A 36 -7.177 10.246 3.286 1.00 0.00 O ATOM 329 CB GLU A 36 -8.699 7.263 3.779 1.00 0.00 C ATOM 330 CG GLU A 36 -10.171 7.592 3.582 1.00 0.00 C ATOM 331 CD GLU A 36 -10.550 8.940 4.167 1.00 0.00 C ATOM 332 OE1 GLU A 36 -10.473 9.092 5.405 1.00 0.00 O ATOM 333 OE2 GLU A 36 -10.923 9.840 3.388 1.00 0.00 O ATOM 0 H GLU A 36 -6.991 6.054 2.475 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.386 8.444 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.560 6.186 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.407 7.535 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.402 7.584 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.779 6.815 4.046 1.00 0.00 H new ATOM 340 N VAL A 37 -6.036 8.616 4.340 1.00 0.00 N ATOM 341 CA VAL A 37 -5.184 9.538 5.080 1.00 0.00 C ATOM 342 C VAL A 37 -4.385 10.413 4.121 1.00 0.00 C ATOM 343 O VAL A 37 -4.179 11.601 4.371 1.00 0.00 O ATOM 344 CB VAL A 37 -4.209 8.785 6.006 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.424 9.762 6.867 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.960 7.784 6.873 1.00 0.00 C ATOM 0 H VAL A 37 -5.851 7.630 4.525 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.836 10.162 5.691 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.501 8.235 5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.742 9.210 7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.853 10.434 6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.114 10.343 7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.255 7.262 7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.693 8.310 7.485 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.471 7.062 6.236 1.00 0.00 H new ATOM 356 N VAL A 38 -3.946 9.816 3.019 1.00 0.00 N ATOM 357 CA VAL A 38 -3.175 10.533 2.011 1.00 0.00 C ATOM 358 C VAL A 38 -4.036 11.581 1.315 1.00 0.00 C ATOM 359 O VAL A 38 -3.603 12.714 1.105 1.00 0.00 O ATOM 360 CB VAL A 38 -2.594 9.567 0.959 1.00 0.00 C ATOM 361 CG1 VAL A 38 -1.768 10.321 -0.073 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.758 8.489 1.632 1.00 0.00 C ATOM 0 H VAL A 38 -4.112 8.834 2.801 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.351 11.028 2.525 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.424 9.087 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.369 9.618 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.398 11.052 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.945 10.834 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.355 7.816 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.937 8.953 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.382 7.925 2.325 1.00 0.00 H new ATOM 372 N SER A 39 -5.259 11.199 0.967 1.00 0.00 N ATOM 373 CA SER A 39 -6.179 12.114 0.304 1.00 0.00 C ATOM 374 C SER A 39 -6.485 13.305 1.203 1.00 0.00 C ATOM 375 O SER A 39 -6.758 14.402 0.722 1.00 0.00 O ATOM 376 CB SER A 39 -7.476 11.392 -0.067 1.00 0.00 C ATOM 377 OG SER A 39 -7.291 10.565 -1.205 1.00 0.00 O ATOM 0 H SER A 39 -5.635 10.265 1.132 1.00 0.00 H new ATOM 0 HA SER A 39 -5.705 12.475 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.813 10.788 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.259 12.123 -0.268 1.00 0.00 H new ATOM 0 HG SER A 39 -6.830 9.742 -0.940 1.00 0.00 H new ATOM 383 N ALA A 40 -6.431 13.082 2.512 1.00 0.00 N ATOM 384 CA ALA A 40 -6.695 14.143 3.475 1.00 0.00 C ATOM 385 C ALA A 40 -5.689 15.278 3.321 1.00 0.00 C ATOM 386 O ALA A 40 -6.009 16.441 3.568 1.00 0.00 O ATOM 387 CB ALA A 40 -6.660 13.591 4.891 1.00 0.00 C ATOM 0 H ALA A 40 -6.207 12.178 2.929 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.690 14.542 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.859 14.395 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.419 12.816 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.677 13.166 5.091 1.00 0.00 H new ATOM 393 N LEU A 41 -4.471 14.932 2.912 1.00 0.00 N ATOM 394 CA LEU A 41 -3.420 15.923 2.726 1.00 0.00 C ATOM 395 C LEU A 41 -3.032 16.040 1.255 1.00 0.00 C ATOM 396 O LEU A 41 -2.019 15.490 0.824 1.00 0.00 O ATOM 397 CB LEU A 41 -2.194 15.561 3.564 1.00 0.00 C ATOM 398 CG LEU A 41 -1.521 14.238 3.190 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.159 14.490 2.561 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.389 13.342 4.412 1.00 0.00 C ATOM 0 H LEU A 41 -4.190 13.974 2.704 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.804 16.888 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.461 16.362 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.489 15.517 4.612 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.147 13.729 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.304 13.538 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.280 15.092 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.476 15.021 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.908 12.406 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.785 13.844 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.379 13.133 4.818 1.00 0.00 H new ATOM 412 N LYS A 42 -3.846 16.760 0.487 1.00 0.00 N ATOM 413 CA LYS A 42 -3.589 16.950 -0.943 1.00 0.00 C ATOM 414 C LYS A 42 -2.131 17.325 -1.189 1.00 0.00 C ATOM 415 O LYS A 42 -1.746 18.484 -1.037 1.00 0.00 O ATOM 416 CB LYS A 42 -4.493 18.037 -1.541 1.00 0.00 C ATOM 417 CG LYS A 42 -5.824 18.227 -0.828 1.00 0.00 C ATOM 418 CD LYS A 42 -6.586 16.919 -0.704 1.00 0.00 C ATOM 419 CE LYS A 42 -7.837 17.088 0.143 1.00 0.00 C ATOM 420 NZ LYS A 42 -8.995 17.565 -0.662 1.00 0.00 N ATOM 0 H LYS A 42 -4.689 17.222 0.828 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.809 16.001 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.953 18.984 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.688 17.793 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.649 18.642 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.429 18.951 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.861 16.560 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.942 16.161 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.089 16.137 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.638 17.797 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.827 17.667 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.765 18.485 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.202 16.877 -1.413 1.00 0.00 H new ATOM 434 N ASP A 43 -1.330 16.339 -1.573 1.00 0.00 N ATOM 435 CA ASP A 43 0.088 16.561 -1.843 1.00 0.00 C ATOM 436 C ASP A 43 0.781 15.256 -2.223 1.00 0.00 C ATOM 437 O ASP A 43 0.427 14.186 -1.727 1.00 0.00 O ATOM 438 CB ASP A 43 0.777 17.175 -0.622 1.00 0.00 C ATOM 439 CG ASP A 43 2.233 17.505 -0.883 1.00 0.00 C ATOM 440 OD1 ASP A 43 2.578 17.784 -2.051 1.00 0.00 O ATOM 441 OD2 ASP A 43 3.028 17.485 0.079 1.00 0.00 O ATOM 0 H ASP A 43 -1.637 15.375 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 43 0.164 17.254 -2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.249 18.082 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.709 16.482 0.216 1.00 0.00 H new ATOM 446 N GLY A 44 1.774 15.352 -3.105 1.00 0.00 N ATOM 447 CA GLY A 44 2.504 14.172 -3.537 1.00 0.00 C ATOM 448 C GLY A 44 1.589 13.053 -3.996 1.00 0.00 C ATOM 449 O GLY A 44 1.814 11.887 -3.674 1.00 0.00 O ATOM 0 H GLY A 44 2.086 16.226 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.176 14.443 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.126 13.814 -2.717 1.00 0.00 H new ATOM 453 N LYS A 45 0.554 13.413 -4.748 1.00 0.00 N ATOM 454 CA LYS A 45 -0.408 12.441 -5.255 1.00 0.00 C ATOM 455 C LYS A 45 0.263 11.382 -6.133 1.00 0.00 C ATOM 456 O LYS A 45 0.069 10.185 -5.925 1.00 0.00 O ATOM 457 CB LYS A 45 -1.507 13.150 -6.047 1.00 0.00 C ATOM 458 CG LYS A 45 -2.582 13.774 -5.172 1.00 0.00 C ATOM 459 CD LYS A 45 -3.420 12.712 -4.479 1.00 0.00 C ATOM 460 CE LYS A 45 -3.802 13.136 -3.070 1.00 0.00 C ATOM 461 NZ LYS A 45 -5.002 14.018 -3.062 1.00 0.00 N ATOM 0 H LYS A 45 0.359 14.376 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.846 11.934 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.055 13.927 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.972 12.436 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.117 14.417 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.227 14.408 -5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.322 12.522 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.863 11.776 -4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.998 12.251 -2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.964 13.659 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.230 14.285 -2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.807 14.875 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.808 13.511 -3.479 1.00 0.00 H new ATOM 475 N PRO A 46 1.050 11.804 -7.138 1.00 0.00 N ATOM 476 CA PRO A 46 1.727 10.870 -8.047 1.00 0.00 C ATOM 477 C PRO A 46 2.749 9.987 -7.339 1.00 0.00 C ATOM 478 O PRO A 46 2.834 8.788 -7.606 1.00 0.00 O ATOM 479 CB PRO A 46 2.419 11.784 -9.065 1.00 0.00 C ATOM 480 CG PRO A 46 2.525 13.108 -8.390 1.00 0.00 C ATOM 481 CD PRO A 46 1.333 13.209 -7.483 1.00 0.00 C ATOM 0 HA PRO A 46 1.020 10.172 -8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.403 11.400 -9.335 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.841 11.856 -9.986 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.453 13.184 -7.824 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.530 13.918 -9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.551 13.805 -6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.486 13.679 -7.983 1.00 0.00 H new ATOM 489 N GLU A 47 3.529 10.580 -6.440 1.00 0.00 N ATOM 490 CA GLU A 47 4.545 9.831 -5.708 1.00 0.00 C ATOM 491 C GLU A 47 3.910 8.784 -4.799 1.00 0.00 C ATOM 492 O GLU A 47 4.288 7.609 -4.827 1.00 0.00 O ATOM 493 CB GLU A 47 5.424 10.778 -4.886 1.00 0.00 C ATOM 494 CG GLU A 47 4.644 11.669 -3.932 1.00 0.00 C ATOM 495 CD GLU A 47 5.520 12.706 -3.255 1.00 0.00 C ATOM 496 OE1 GLU A 47 6.450 13.219 -3.912 1.00 0.00 O ATOM 497 OE2 GLU A 47 5.277 13.002 -2.067 1.00 0.00 O ATOM 0 H GLU A 47 3.478 11.571 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 47 5.169 9.316 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.140 10.188 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.999 11.406 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.848 12.173 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.166 11.051 -3.172 1.00 0.00 H new ATOM 504 N VAL A 48 2.941 9.206 -3.998 1.00 0.00 N ATOM 505 CA VAL A 48 2.264 8.288 -3.095 1.00 0.00 C ATOM 506 C VAL A 48 1.519 7.218 -3.879 1.00 0.00 C ATOM 507 O VAL A 48 1.759 6.030 -3.677 1.00 0.00 O ATOM 508 CB VAL A 48 1.295 9.020 -2.136 1.00 0.00 C ATOM 509 CG1 VAL A 48 0.157 9.682 -2.895 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.754 8.054 -1.091 1.00 0.00 C ATOM 0 H VAL A 48 2.609 10.169 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 48 3.033 7.814 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 48 1.854 9.806 -1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.505 10.187 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.563 10.410 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.405 8.925 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.074 8.583 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.219 7.244 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.581 7.642 -0.513 1.00 0.00 H new ATOM 520 N ASN A 49 0.639 7.640 -4.792 1.00 0.00 N ATOM 521 CA ASN A 49 -0.125 6.704 -5.614 1.00 0.00 C ATOM 522 C ASN A 49 0.800 5.697 -6.284 1.00 0.00 C ATOM 523 O ASN A 49 0.423 4.549 -6.513 1.00 0.00 O ATOM 524 CB ASN A 49 -0.923 7.463 -6.677 1.00 0.00 C ATOM 525 CG ASN A 49 -2.195 8.072 -6.120 1.00 0.00 C ATOM 526 OD1 ASN A 49 -2.978 7.398 -5.450 1.00 0.00 O ATOM 527 ND2 ASN A 49 -2.408 9.354 -6.395 1.00 0.00 N ATOM 0 H ASN A 49 0.440 8.623 -4.978 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.816 6.165 -4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.301 8.252 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.175 6.784 -7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.247 9.818 -6.047 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.732 9.875 -6.954 1.00 0.00 H new ATOM 534 N ARG A 50 2.020 6.132 -6.583 1.00 0.00 N ATOM 535 CA ARG A 50 3.002 5.263 -7.213 1.00 0.00 C ATOM 536 C ARG A 50 3.398 4.137 -6.265 1.00 0.00 C ATOM 537 O ARG A 50 3.474 2.974 -6.661 1.00 0.00 O ATOM 538 CB ARG A 50 4.238 6.065 -7.625 1.00 0.00 C ATOM 539 CG ARG A 50 5.329 5.220 -8.264 1.00 0.00 C ATOM 540 CD ARG A 50 5.221 5.223 -9.781 1.00 0.00 C ATOM 541 NE ARG A 50 6.299 5.988 -10.404 1.00 0.00 N ATOM 542 CZ ARG A 50 6.262 6.436 -11.657 1.00 0.00 C ATOM 543 NH1 ARG A 50 5.206 6.198 -12.424 1.00 0.00 N ATOM 544 NH2 ARG A 50 7.285 7.124 -12.145 1.00 0.00 N ATOM 0 H ARG A 50 2.350 7.079 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 50 2.555 4.827 -8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.938 6.845 -8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.645 6.565 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.306 5.601 -7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.260 4.196 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.245 4.197 -10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.260 5.645 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 50 7.128 6.191 -9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.416 5.669 -12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.184 6.544 -13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.100 7.310 -11.560 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.257 7.467 -13.105 1.00 0.00 H new ATOM 558 N GLN A 51 3.641 4.492 -5.007 1.00 0.00 N ATOM 559 CA GLN A 51 4.020 3.507 -4.001 1.00 0.00 C ATOM 560 C GLN A 51 2.830 2.624 -3.653 1.00 0.00 C ATOM 561 O GLN A 51 2.933 1.396 -3.638 1.00 0.00 O ATOM 562 CB GLN A 51 4.545 4.202 -2.744 1.00 0.00 C ATOM 563 CG GLN A 51 5.982 4.685 -2.869 1.00 0.00 C ATOM 564 CD GLN A 51 6.248 5.937 -2.056 1.00 0.00 C ATOM 565 OE1 GLN A 51 7.062 5.930 -1.134 1.00 0.00 O ATOM 566 NE2 GLN A 51 5.559 7.020 -2.396 1.00 0.00 N ATOM 0 H GLN A 51 3.583 5.450 -4.661 1.00 0.00 H new ATOM 0 HA GLN A 51 4.814 2.882 -4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.903 5.053 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.474 3.513 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.657 3.894 -2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.205 4.883 -3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.894 6.980 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.695 7.892 -1.885 1.00 0.00 H new ATOM 575 N ILE A 52 1.695 3.259 -3.384 1.00 0.00 N ATOM 576 CA ILE A 52 0.474 2.529 -3.047 1.00 0.00 C ATOM 577 C ILE A 52 0.117 1.562 -4.170 1.00 0.00 C ATOM 578 O ILE A 52 -0.284 0.424 -3.922 1.00 0.00 O ATOM 579 CB ILE A 52 -0.737 3.464 -2.783 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.360 4.930 -2.914 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.298 3.220 -1.404 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.525 5.878 -2.716 1.00 0.00 C ATOM 0 H ILE A 52 1.593 4.274 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 52 0.681 1.988 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.489 3.234 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.415 5.163 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.071 5.099 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.146 3.883 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.625 2.184 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.528 3.417 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.180 6.906 -2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.292 5.672 -3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.942 5.738 -1.719 1.00 0.00 H new ATOM 594 N LYS A 53 0.275 2.024 -5.406 1.00 0.00 N ATOM 595 CA LYS A 53 -0.017 1.203 -6.574 1.00 0.00 C ATOM 596 C LYS A 53 0.823 -0.068 -6.562 1.00 0.00 C ATOM 597 O LYS A 53 0.293 -1.173 -6.676 1.00 0.00 O ATOM 598 CB LYS A 53 0.241 1.988 -7.861 1.00 0.00 C ATOM 599 CG LYS A 53 -0.204 1.256 -9.116 1.00 0.00 C ATOM 600 CD LYS A 53 0.918 1.166 -10.136 1.00 0.00 C ATOM 601 CE LYS A 53 0.418 0.627 -11.468 1.00 0.00 C ATOM 602 NZ LYS A 53 1.045 1.329 -12.622 1.00 0.00 N ATOM 0 H LYS A 53 0.604 2.964 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.070 0.926 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.278 2.945 -7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.306 2.208 -7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.540 0.253 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.057 1.772 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.357 2.153 -10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.708 0.519 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.633 -0.440 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.665 0.738 -11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.678 0.932 -13.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.819 2.343 -12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.077 1.202 -12.587 1.00 0.00 H new ATOM 616 N ASN A 54 2.138 0.089 -6.415 1.00 0.00 N ATOM 617 CA ASN A 54 3.042 -1.059 -6.382 1.00 0.00 C ATOM 618 C ASN A 54 2.571 -2.080 -5.354 1.00 0.00 C ATOM 619 O ASN A 54 2.630 -3.288 -5.588 1.00 0.00 O ATOM 620 CB ASN A 54 4.470 -0.618 -6.052 1.00 0.00 C ATOM 621 CG ASN A 54 4.884 0.634 -6.800 1.00 0.00 C ATOM 622 OD1 ASN A 54 5.604 1.517 -6.117 1.00 0.00 O flip ATOM 623 ND2 ASN A 54 4.560 0.807 -7.975 1.00 0.00 N flip ATOM 0 H ASN A 54 2.598 0.994 -6.317 1.00 0.00 H new ATOM 0 HA ASN A 54 3.036 -1.518 -7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.552 -0.439 -4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.160 -1.426 -6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.006 0.101 -8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.845 1.656 -8.463 1.00 0.00 H new ATOM 630 N LEU A 55 2.099 -1.585 -4.214 1.00 0.00 N ATOM 631 CA LEU A 55 1.611 -2.457 -3.152 1.00 0.00 C ATOM 632 C LEU A 55 0.329 -3.152 -3.578 1.00 0.00 C ATOM 633 O LEU A 55 0.174 -4.358 -3.386 1.00 0.00 O ATOM 634 CB LEU A 55 1.386 -1.657 -1.869 1.00 0.00 C ATOM 635 CG LEU A 55 2.573 -0.796 -1.432 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.106 0.342 -0.537 1.00 0.00 C ATOM 637 CD2 LEU A 55 3.616 -1.647 -0.720 1.00 0.00 C ATOM 0 H LEU A 55 2.044 -0.589 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 55 2.365 -3.220 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.519 -1.011 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.142 -2.350 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 55 3.032 -0.365 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.964 0.944 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.398 0.966 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.621 -0.068 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.453 -1.018 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.170 -2.108 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.973 -2.425 -1.395 1.00 0.00 H new ATOM 649 N GLU A 56 -0.583 -2.396 -4.182 1.00 0.00 N ATOM 650 CA GLU A 56 -1.835 -2.967 -4.657 1.00 0.00 C ATOM 651 C GLU A 56 -1.527 -4.107 -5.618 1.00 0.00 C ATOM 652 O GLU A 56 -2.208 -5.131 -5.637 1.00 0.00 O ATOM 653 CB GLU A 56 -2.684 -1.899 -5.354 1.00 0.00 C ATOM 654 CG GLU A 56 -3.818 -1.366 -4.493 1.00 0.00 C ATOM 655 CD GLU A 56 -4.985 -2.329 -4.403 1.00 0.00 C ATOM 656 OE1 GLU A 56 -4.901 -3.290 -3.609 1.00 0.00 O ATOM 657 OE2 GLU A 56 -5.982 -2.122 -5.124 1.00 0.00 O ATOM 0 H GLU A 56 -0.479 -1.396 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.403 -3.348 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.041 -1.069 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.100 -2.318 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.443 -1.162 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.165 -0.418 -4.903 1.00 0.00 H new ATOM 664 N ILE A 57 -0.465 -3.915 -6.396 1.00 0.00 N ATOM 665 CA ILE A 57 -0.011 -4.910 -7.349 1.00 0.00 C ATOM 666 C ILE A 57 0.608 -6.096 -6.620 1.00 0.00 C ATOM 667 O ILE A 57 0.367 -7.250 -6.972 1.00 0.00 O ATOM 668 CB ILE A 57 1.029 -4.307 -8.309 1.00 0.00 C ATOM 669 CG1 ILE A 57 0.475 -3.034 -8.946 1.00 0.00 C ATOM 670 CG2 ILE A 57 1.426 -5.312 -9.376 1.00 0.00 C ATOM 671 CD1 ILE A 57 1.540 -2.012 -9.273 1.00 0.00 C ATOM 0 H ILE A 57 0.100 -3.066 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.875 -5.246 -7.923 1.00 0.00 H new ATOM 0 HB ILE A 57 1.923 -4.054 -7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.058 -3.297 -9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.253 -2.585 -8.270 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.162 -4.863 -10.043 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.856 -6.195 -8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.545 -5.601 -9.950 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.076 -1.134 -9.722 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.058 -1.721 -8.359 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.255 -2.443 -9.974 1.00 0.00 H new ATOM 683 N SER A 58 1.407 -5.799 -5.596 1.00 0.00 N ATOM 684 CA SER A 58 2.057 -6.842 -4.812 1.00 0.00 C ATOM 685 C SER A 58 1.017 -7.748 -4.158 1.00 0.00 C ATOM 686 O SER A 58 1.068 -8.972 -4.295 1.00 0.00 O ATOM 687 CB SER A 58 2.956 -6.220 -3.742 1.00 0.00 C ATOM 688 OG SER A 58 4.253 -5.963 -4.252 1.00 0.00 O ATOM 0 H SER A 58 1.618 -4.848 -5.293 1.00 0.00 H new ATOM 0 HA SER A 58 2.671 -7.443 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.512 -5.291 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.025 -6.891 -2.886 1.00 0.00 H new ATOM 0 HG SER A 58 4.808 -5.564 -3.549 1.00 0.00 H new ATOM 694 N ILE A 59 0.071 -7.135 -3.452 1.00 0.00 N ATOM 695 CA ILE A 59 -0.988 -7.879 -2.779 1.00 0.00 C ATOM 696 C ILE A 59 -1.779 -8.720 -3.776 1.00 0.00 C ATOM 697 O ILE A 59 -1.981 -9.919 -3.574 1.00 0.00 O ATOM 698 CB ILE A 59 -1.954 -6.929 -2.042 1.00 0.00 C ATOM 699 CG1 ILE A 59 -1.178 -6.003 -1.103 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.997 -7.720 -1.266 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.748 -4.603 -1.028 1.00 0.00 C ATOM 0 H ILE A 59 0.017 -6.124 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.510 -8.535 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.469 -6.319 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.169 -6.437 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.141 -5.947 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.669 -7.031 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.570 -8.340 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.500 -8.356 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.148 -4.002 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.732 -4.150 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.775 -4.647 -0.666 1.00 0.00 H new ATOM 713 N ASP A 60 -2.220 -8.082 -4.857 1.00 0.00 N ATOM 714 CA ASP A 60 -2.987 -8.768 -5.889 1.00 0.00 C ATOM 715 C ASP A 60 -2.185 -9.921 -6.484 1.00 0.00 C ATOM 716 O ASP A 60 -2.738 -10.976 -6.798 1.00 0.00 O ATOM 717 CB ASP A 60 -3.388 -7.786 -6.992 1.00 0.00 C ATOM 718 CG ASP A 60 -4.504 -6.856 -6.561 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.390 -7.304 -5.802 1.00 0.00 O ATOM 720 OD2 ASP A 60 -4.495 -5.681 -6.983 1.00 0.00 O ATOM 0 H ASP A 60 -2.059 -7.092 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.888 -9.175 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.519 -7.196 -7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.704 -8.344 -7.874 1.00 0.00 H new ATOM 725 N ALA A 61 -0.879 -9.718 -6.633 1.00 0.00 N ATOM 726 CA ALA A 61 -0.008 -10.747 -7.187 1.00 0.00 C ATOM 727 C ALA A 61 -0.092 -12.025 -6.361 1.00 0.00 C ATOM 728 O ALA A 61 -0.299 -13.116 -6.898 1.00 0.00 O ATOM 729 CB ALA A 61 1.429 -10.249 -7.248 1.00 0.00 C ATOM 0 H ALA A 61 -0.403 -8.853 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.343 -10.970 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.067 -11.029 -7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.480 -9.363 -7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.770 -9.998 -6.244 1.00 0.00 H new ATOM 735 N LEU A 62 0.055 -11.885 -5.047 1.00 0.00 N ATOM 736 CA LEU A 62 -0.018 -13.026 -4.149 1.00 0.00 C ATOM 737 C LEU A 62 -1.334 -13.767 -4.333 1.00 0.00 C ATOM 738 O LEU A 62 -1.343 -14.965 -4.602 1.00 0.00 O ATOM 739 CB LEU A 62 0.125 -12.573 -2.697 1.00 0.00 C ATOM 740 CG LEU A 62 1.549 -12.204 -2.283 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.678 -10.701 -2.071 1.00 0.00 C ATOM 742 CD2 LEU A 62 1.955 -12.961 -1.026 1.00 0.00 C ATOM 0 H LEU A 62 0.225 -10.992 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 62 0.802 -13.702 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.522 -11.711 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.234 -13.369 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 62 2.224 -12.492 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.700 -10.461 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.436 -10.181 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.991 -10.384 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.972 -12.685 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.274 -12.708 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.910 -14.033 -1.216 1.00 0.00 H new ATOM 754 N MET A 63 -2.442 -13.040 -4.194 1.00 0.00 N ATOM 755 CA MET A 63 -3.776 -13.625 -4.341 1.00 0.00 C ATOM 756 C MET A 63 -3.850 -14.533 -5.564 1.00 0.00 C ATOM 757 O MET A 63 -4.220 -15.702 -5.457 1.00 0.00 O ATOM 758 CB MET A 63 -4.829 -12.521 -4.457 1.00 0.00 C ATOM 759 CG MET A 63 -6.172 -12.894 -3.847 1.00 0.00 C ATOM 760 SD MET A 63 -6.677 -11.771 -2.530 1.00 0.00 S ATOM 761 CE MET A 63 -5.159 -11.650 -1.587 1.00 0.00 C ATOM 0 H MET A 63 -2.443 -12.043 -3.979 1.00 0.00 H new ATOM 0 HA MET A 63 -3.975 -14.225 -3.453 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.455 -11.621 -3.969 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.973 -12.277 -5.509 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.933 -12.896 -4.628 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.117 -13.909 -3.452 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.374 -11.233 -0.603 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.721 -12.642 -1.473 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.456 -11.001 -2.110 1.00 0.00 H new ATOM 771 N ALA A 64 -3.490 -13.994 -6.720 1.00 0.00 N ATOM 772 CA ALA A 64 -3.509 -14.767 -7.952 1.00 0.00 C ATOM 773 C ALA A 64 -2.565 -15.962 -7.853 1.00 0.00 C ATOM 774 O ALA A 64 -2.759 -16.976 -8.524 1.00 0.00 O ATOM 775 CB ALA A 64 -3.132 -13.889 -9.135 1.00 0.00 C ATOM 0 H ALA A 64 -3.182 -13.028 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.521 -15.142 -8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.151 -14.482 -10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.844 -13.068 -9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.130 -13.486 -8.985 1.00 0.00 H new ATOM 781 N LYS A 65 -1.546 -15.839 -7.006 1.00 0.00 N ATOM 782 CA LYS A 65 -0.577 -16.908 -6.811 1.00 0.00 C ATOM 783 C LYS A 65 -1.111 -17.947 -5.833 1.00 0.00 C ATOM 784 O LYS A 65 -0.760 -19.124 -5.904 1.00 0.00 O ATOM 785 CB LYS A 65 0.752 -16.342 -6.307 1.00 0.00 C ATOM 786 CG LYS A 65 1.575 -15.666 -7.391 1.00 0.00 C ATOM 787 CD LYS A 65 3.044 -15.573 -7.003 1.00 0.00 C ATOM 788 CE LYS A 65 3.473 -14.131 -6.777 1.00 0.00 C ATOM 789 NZ LYS A 65 3.358 -13.734 -5.346 1.00 0.00 N ATOM 0 H LYS A 65 -1.372 -15.006 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.408 -17.393 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.553 -15.623 -5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.338 -17.149 -5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.479 -16.224 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.183 -14.666 -7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.219 -16.152 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.657 -16.017 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.504 -14.003 -7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.858 -13.470 -7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.568 -13.067 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.185 -14.578 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.241 -13.278 -5.040 1.00 0.00 H new ATOM 803 N ILE A 66 -1.953 -17.497 -4.910 1.00 0.00 N ATOM 804 CA ILE A 66 -2.525 -18.382 -3.905 1.00 0.00 C ATOM 805 C ILE A 66 -3.582 -19.299 -4.512 1.00 0.00 C ATOM 806 O ILE A 66 -3.749 -20.439 -4.081 1.00 0.00 O ATOM 807 CB ILE A 66 -3.167 -17.607 -2.735 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.521 -16.237 -2.552 1.00 0.00 C ATOM 809 CG2 ILE A 66 -3.056 -18.411 -1.456 1.00 0.00 C ATOM 810 CD1 ILE A 66 -1.031 -16.284 -2.284 1.00 0.00 C ATOM 0 H ILE A 66 -2.254 -16.525 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.693 -18.973 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.219 -17.451 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.699 -15.641 -3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.012 -15.724 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.512 -17.856 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.571 -19.364 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.005 -18.593 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.650 -15.269 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.843 -16.850 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.526 -16.766 -3.121 1.00 0.00 H new ATOM 822 N LYS A 67 -4.306 -18.784 -5.498 1.00 0.00 N ATOM 823 CA LYS A 67 -5.366 -19.548 -6.148 1.00 0.00 C ATOM 824 C LYS A 67 -4.873 -20.287 -7.393 1.00 0.00 C ATOM 825 O LYS A 67 -5.658 -20.957 -8.066 1.00 0.00 O ATOM 826 CB LYS A 67 -6.524 -18.623 -6.524 1.00 0.00 C ATOM 827 CG LYS A 67 -7.072 -17.824 -5.352 1.00 0.00 C ATOM 828 CD LYS A 67 -7.974 -18.675 -4.470 1.00 0.00 C ATOM 829 CE LYS A 67 -9.265 -17.947 -4.126 1.00 0.00 C ATOM 830 NZ LYS A 67 -9.052 -16.896 -3.094 1.00 0.00 N ATOM 0 H LYS A 67 -4.179 -17.841 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.705 -20.298 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.190 -17.933 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.329 -19.219 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.245 -17.433 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.631 -16.966 -5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.207 -19.610 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.446 -18.936 -3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.677 -17.493 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.002 -18.665 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.958 -16.435 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.667 -17.330 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.381 -16.187 -3.454 1.00 0.00 H new ATOM 844 N SER A 68 -3.585 -20.168 -7.710 1.00 0.00 N ATOM 845 CA SER A 68 -3.041 -20.843 -8.886 1.00 0.00 C ATOM 846 C SER A 68 -1.593 -21.272 -8.682 1.00 0.00 C ATOM 847 O SER A 68 -0.861 -21.492 -9.647 1.00 0.00 O ATOM 848 CB SER A 68 -3.149 -19.937 -10.114 1.00 0.00 C ATOM 849 OG SER A 68 -4.475 -19.463 -10.283 1.00 0.00 O ATOM 0 H SER A 68 -2.908 -19.620 -7.179 1.00 0.00 H new ATOM 0 HA SER A 68 -3.633 -21.744 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.468 -19.092 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.839 -20.486 -11.003 1.00 0.00 H new ATOM 0 HG SER A 68 -4.518 -18.885 -11.073 1.00 0.00 H new ATOM 855 N THR A 69 -1.188 -21.401 -7.426 1.00 0.00 N ATOM 856 CA THR A 69 0.174 -21.820 -7.098 1.00 0.00 C ATOM 857 C THR A 69 0.255 -22.315 -5.658 1.00 0.00 C ATOM 858 O THR A 69 -0.585 -21.974 -4.825 1.00 0.00 O ATOM 859 CB THR A 69 1.188 -20.680 -7.312 1.00 0.00 C ATOM 860 OG1 THR A 69 1.489 -20.031 -6.088 1.00 0.00 O ATOM 861 CG2 THR A 69 0.730 -19.614 -8.288 1.00 0.00 C ATOM 0 H THR A 69 -1.781 -21.222 -6.615 1.00 0.00 H new ATOM 0 HA THR A 69 0.430 -22.636 -7.774 1.00 0.00 H new ATOM 0 HB THR A 69 2.065 -21.173 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.803 -19.358 -5.897 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.502 -18.850 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.549 -20.067 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.190 -19.158 -7.923 1.00 0.00 H new ATOM 869 N MET A 70 1.278 -23.113 -5.369 1.00 0.00 N ATOM 870 CA MET A 70 1.476 -23.645 -4.027 1.00 0.00 C ATOM 871 C MET A 70 2.488 -22.795 -3.264 1.00 0.00 C ATOM 872 O MET A 70 3.373 -23.318 -2.588 1.00 0.00 O ATOM 873 CB MET A 70 1.954 -25.097 -4.095 1.00 0.00 C ATOM 874 CG MET A 70 0.827 -26.101 -4.278 1.00 0.00 C ATOM 875 SD MET A 70 1.286 -27.471 -5.358 1.00 0.00 S ATOM 876 CE MET A 70 0.748 -28.870 -4.378 1.00 0.00 C ATOM 0 H MET A 70 1.982 -23.405 -6.047 1.00 0.00 H new ATOM 0 HA MET A 70 0.523 -23.615 -3.499 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.659 -25.200 -4.920 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.497 -25.335 -3.180 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.534 -26.493 -3.304 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.044 -25.593 -4.692 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.964 -29.794 -4.914 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.276 -28.871 -3.425 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.325 -28.797 -4.198 1.00 0.00 H new ATOM 886 N MET A 71 2.348 -21.478 -3.387 1.00 0.00 N ATOM 887 CA MET A 71 3.246 -20.540 -2.720 1.00 0.00 C ATOM 888 C MET A 71 3.387 -20.866 -1.236 1.00 0.00 C ATOM 889 O MET A 71 2.393 -21.022 -0.527 1.00 0.00 O ATOM 890 CB MET A 71 2.735 -19.107 -2.893 1.00 0.00 C ATOM 891 CG MET A 71 3.563 -18.278 -3.861 1.00 0.00 C ATOM 892 SD MET A 71 3.534 -16.519 -3.469 1.00 0.00 S ATOM 893 CE MET A 71 5.271 -16.214 -3.154 1.00 0.00 C ATOM 0 H MET A 71 1.618 -21.035 -3.945 1.00 0.00 H new ATOM 0 HA MET A 71 4.229 -20.631 -3.182 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.704 -19.138 -3.244 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.726 -18.614 -1.921 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.594 -18.632 -3.847 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.188 -18.427 -4.874 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.373 -15.525 -2.315 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.768 -17.154 -2.914 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.730 -15.777 -4.041 1.00 0.00 H new ATOM 903 N THR A 72 4.629 -20.961 -0.774 1.00 0.00 N ATOM 904 CA THR A 72 4.905 -21.263 0.625 1.00 0.00 C ATOM 905 C THR A 72 4.553 -20.072 1.510 1.00 0.00 C ATOM 906 O THR A 72 4.841 -18.926 1.165 1.00 0.00 O ATOM 907 CB THR A 72 6.377 -21.628 0.809 1.00 0.00 C ATOM 908 OG1 THR A 72 6.787 -22.570 -0.166 1.00 0.00 O ATOM 909 CG2 THR A 72 6.683 -22.214 2.171 1.00 0.00 C ATOM 0 H THR A 72 5.462 -20.833 -1.349 1.00 0.00 H new ATOM 0 HA THR A 72 4.289 -22.113 0.919 1.00 0.00 H new ATOM 0 HB THR A 72 6.922 -20.690 0.704 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.733 -22.789 -0.032 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.745 -22.451 2.235 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.425 -21.491 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.099 -23.123 2.315 1.00 0.00 H new ATOM 917 N ARG A 73 3.929 -20.346 2.651 1.00 0.00 N ATOM 918 CA ARG A 73 3.544 -19.290 3.583 1.00 0.00 C ATOM 919 C ARG A 73 4.735 -18.392 3.903 1.00 0.00 C ATOM 920 O ARG A 73 4.573 -17.200 4.167 1.00 0.00 O ATOM 921 CB ARG A 73 2.981 -19.895 4.870 1.00 0.00 C ATOM 922 CG ARG A 73 1.793 -19.129 5.432 1.00 0.00 C ATOM 923 CD ARG A 73 1.955 -18.857 6.919 1.00 0.00 C ATOM 924 NE ARG A 73 1.323 -19.890 7.738 1.00 0.00 N ATOM 925 CZ ARG A 73 0.006 -20.033 7.864 1.00 0.00 C ATOM 926 NH1 ARG A 73 -0.822 -19.212 7.229 1.00 0.00 N ATOM 927 NH2 ARG A 73 -0.486 -20.999 8.627 1.00 0.00 N ATOM 0 H ARG A 73 3.679 -21.288 2.953 1.00 0.00 H new ATOM 0 HA ARG A 73 2.771 -18.684 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.681 -20.925 4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.770 -19.929 5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.683 -18.185 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.879 -19.699 5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.016 -18.800 7.163 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.519 -17.887 7.159 1.00 0.00 H new ATOM 0 HE ARG A 73 1.927 -20.539 8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.450 -18.467 6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.831 -19.327 7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.145 -21.633 9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.496 -21.108 8.724 1.00 0.00 H new ATOM 941 N GLU A 74 5.933 -18.970 3.868 1.00 0.00 N ATOM 942 CA GLU A 74 7.151 -18.219 4.144 1.00 0.00 C ATOM 943 C GLU A 74 7.298 -17.066 3.159 1.00 0.00 C ATOM 944 O GLU A 74 7.628 -15.943 3.544 1.00 0.00 O ATOM 945 CB GLU A 74 8.373 -19.137 4.065 1.00 0.00 C ATOM 946 CG GLU A 74 9.428 -18.837 5.116 1.00 0.00 C ATOM 947 CD GLU A 74 10.050 -20.093 5.693 1.00 0.00 C ATOM 948 OE1 GLU A 74 9.315 -20.887 6.317 1.00 0.00 O ATOM 949 OE2 GLU A 74 11.272 -20.284 5.520 1.00 0.00 O ATOM 0 H GLU A 74 6.085 -19.955 3.651 1.00 0.00 H new ATOM 0 HA GLU A 74 7.084 -17.812 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.047 -20.172 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.822 -19.047 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.210 -18.219 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.978 -18.256 5.921 1.00 0.00 H new ATOM 956 N GLN A 75 7.039 -17.350 1.886 1.00 0.00 N ATOM 957 CA GLN A 75 7.132 -16.336 0.845 1.00 0.00 C ATOM 958 C GLN A 75 6.035 -15.292 1.020 1.00 0.00 C ATOM 959 O GLN A 75 6.236 -14.110 0.739 1.00 0.00 O ATOM 960 CB GLN A 75 7.027 -16.980 -0.539 1.00 0.00 C ATOM 961 CG GLN A 75 7.912 -16.322 -1.584 1.00 0.00 C ATOM 962 CD GLN A 75 9.388 -16.536 -1.314 1.00 0.00 C ATOM 963 OE1 GLN A 75 9.853 -17.669 -1.198 1.00 0.00 O ATOM 964 NE2 GLN A 75 10.135 -15.442 -1.212 1.00 0.00 N ATOM 0 H GLN A 75 6.763 -18.274 1.552 1.00 0.00 H new ATOM 0 HA GLN A 75 8.101 -15.844 0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.293 -18.034 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.990 -16.937 -0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.665 -16.721 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.702 -15.253 -1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.708 -14.521 -1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.136 -15.523 -1.031 1.00 0.00 H new ATOM 973 N ILE A 76 4.877 -15.738 1.497 1.00 0.00 N ATOM 974 CA ILE A 76 3.747 -14.847 1.722 1.00 0.00 C ATOM 975 C ILE A 76 4.031 -13.909 2.890 1.00 0.00 C ATOM 976 O ILE A 76 3.687 -12.727 2.850 1.00 0.00 O ATOM 977 CB ILE A 76 2.454 -15.634 2.012 1.00 0.00 C ATOM 978 CG1 ILE A 76 2.211 -16.683 0.923 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.267 -14.689 2.123 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.860 -16.089 -0.425 1.00 0.00 C ATOM 0 H ILE A 76 4.698 -16.713 1.735 1.00 0.00 H new ATOM 0 HA ILE A 76 3.606 -14.268 0.809 1.00 0.00 H new ATOM 0 HB ILE A 76 2.569 -16.150 2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.104 -17.299 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.404 -17.344 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.363 -15.263 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.440 -13.982 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.147 -14.144 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.702 -16.891 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.949 -15.497 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.676 -15.451 -0.765 1.00 0.00 H new ATOM 992 N GLN A 77 4.665 -14.446 3.928 1.00 0.00 N ATOM 993 CA GLN A 77 5.001 -13.660 5.108 1.00 0.00 C ATOM 994 C GLN A 77 6.000 -12.562 4.757 1.00 0.00 C ATOM 995 O GLN A 77 5.882 -11.430 5.224 1.00 0.00 O ATOM 996 CB GLN A 77 5.574 -14.563 6.203 1.00 0.00 C ATOM 997 CG GLN A 77 4.851 -14.439 7.534 1.00 0.00 C ATOM 998 CD GLN A 77 5.077 -13.094 8.198 1.00 0.00 C ATOM 999 OE1 GLN A 77 4.133 -12.343 8.441 1.00 0.00 O ATOM 1000 NE2 GLN A 77 6.335 -12.785 8.492 1.00 0.00 N ATOM 0 H GLN A 77 4.956 -15.422 3.975 1.00 0.00 H new ATOM 0 HA GLN A 77 4.089 -13.192 5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.527 -15.599 5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.627 -14.322 6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.783 -14.588 7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.189 -15.231 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.086 -13.439 8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.550 -11.893 8.938 1.00 0.00 H new ATOM 1009 N LYS A 78 6.981 -12.903 3.927 1.00 0.00 N ATOM 1010 CA LYS A 78 7.995 -11.940 3.513 1.00 0.00 C ATOM 1011 C LYS A 78 7.376 -10.857 2.646 1.00 0.00 C ATOM 1012 O LYS A 78 7.588 -9.667 2.882 1.00 0.00 O ATOM 1013 CB LYS A 78 9.128 -12.641 2.761 1.00 0.00 C ATOM 1014 CG LYS A 78 10.371 -12.867 3.608 1.00 0.00 C ATOM 1015 CD LYS A 78 10.501 -14.322 4.031 1.00 0.00 C ATOM 1016 CE LYS A 78 11.943 -14.796 3.961 1.00 0.00 C ATOM 1017 NZ LYS A 78 12.083 -16.217 4.381 1.00 0.00 N ATOM 0 H LYS A 78 7.095 -13.835 3.529 1.00 0.00 H new ATOM 0 HA LYS A 78 8.411 -11.474 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.769 -13.602 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.396 -12.046 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.255 -12.571 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.330 -12.232 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.127 -14.441 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.880 -14.946 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.314 -14.681 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.563 -14.166 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.090 -16.476 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.676 -16.340 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.581 -16.829 3.707 1.00 0.00 H new ATOM 1031 N GLU A 79 6.591 -11.264 1.654 1.00 0.00 N ATOM 1032 CA GLU A 79 5.933 -10.301 0.783 1.00 0.00 C ATOM 1033 C GLU A 79 5.097 -9.359 1.629 1.00 0.00 C ATOM 1034 O GLU A 79 4.995 -8.165 1.343 1.00 0.00 O ATOM 1035 CB GLU A 79 5.059 -11.008 -0.253 1.00 0.00 C ATOM 1036 CG GLU A 79 5.839 -11.925 -1.184 1.00 0.00 C ATOM 1037 CD GLU A 79 5.673 -11.555 -2.645 1.00 0.00 C ATOM 1038 OE1 GLU A 79 6.027 -10.415 -3.013 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.189 -12.404 -3.421 1.00 0.00 O ATOM 0 H GLU A 79 6.397 -12.241 1.436 1.00 0.00 H new ATOM 0 HA GLU A 79 6.690 -9.733 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.297 -11.592 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.537 -10.259 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.896 -11.888 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.510 -12.953 -1.034 1.00 0.00 H new ATOM 1046 N TYR A 80 4.537 -9.899 2.708 1.00 0.00 N ATOM 1047 CA TYR A 80 3.756 -9.099 3.630 1.00 0.00 C ATOM 1048 C TYR A 80 4.678 -8.082 4.283 1.00 0.00 C ATOM 1049 O TYR A 80 4.298 -6.934 4.511 1.00 0.00 O ATOM 1050 CB TYR A 80 3.098 -9.983 4.691 1.00 0.00 C ATOM 1051 CG TYR A 80 2.222 -9.218 5.658 1.00 0.00 C ATOM 1052 CD1 TYR A 80 1.110 -8.514 5.210 1.00 0.00 C ATOM 1053 CD2 TYR A 80 2.507 -9.199 7.018 1.00 0.00 C ATOM 1054 CE1 TYR A 80 0.308 -7.814 6.091 1.00 0.00 C ATOM 1055 CE2 TYR A 80 1.709 -8.502 7.903 1.00 0.00 C ATOM 1056 CZ TYR A 80 0.611 -7.811 7.435 1.00 0.00 C ATOM 1057 OH TYR A 80 -0.186 -7.115 8.315 1.00 0.00 O ATOM 0 H TYR A 80 4.612 -10.885 2.960 1.00 0.00 H new ATOM 0 HA TYR A 80 2.961 -8.587 3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.498 -10.746 4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.875 -10.503 5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.869 -8.514 4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.366 -9.738 7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.552 -7.272 5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.944 -8.498 8.957 1.00 0.00 H new ATOM 0 HH TYR A 80 0.165 -7.216 9.224 1.00 0.00 H new ATOM 1067 N ASP A 81 5.913 -8.511 4.551 1.00 0.00 N ATOM 1068 CA ASP A 81 6.909 -7.635 5.143 1.00 0.00 C ATOM 1069 C ASP A 81 7.331 -6.579 4.133 1.00 0.00 C ATOM 1070 O ASP A 81 7.545 -5.419 4.486 1.00 0.00 O ATOM 1071 CB ASP A 81 8.124 -8.436 5.613 1.00 0.00 C ATOM 1072 CG ASP A 81 7.999 -8.883 7.056 1.00 0.00 C ATOM 1073 OD1 ASP A 81 6.855 -9.005 7.544 1.00 0.00 O ATOM 1074 OD2 ASP A 81 9.044 -9.115 7.699 1.00 0.00 O ATOM 0 H ASP A 81 6.241 -9.459 4.366 1.00 0.00 H new ATOM 0 HA ASP A 81 6.470 -7.144 6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.248 -9.310 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.022 -7.828 5.500 1.00 0.00 H new ATOM 1079 N ALA A 82 7.430 -6.979 2.863 1.00 0.00 N ATOM 1080 CA ALA A 82 7.804 -6.047 1.810 1.00 0.00 C ATOM 1081 C ALA A 82 6.788 -4.916 1.745 1.00 0.00 C ATOM 1082 O ALA A 82 7.130 -3.768 1.459 1.00 0.00 O ATOM 1083 CB ALA A 82 7.897 -6.761 0.470 1.00 0.00 C ATOM 0 H ALA A 82 7.257 -7.933 2.546 1.00 0.00 H new ATOM 0 HA ALA A 82 8.785 -5.630 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.178 -6.047 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.649 -7.547 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.930 -7.201 0.224 1.00 0.00 H new ATOM 1089 N LEU A 83 5.535 -5.254 2.037 1.00 0.00 N ATOM 1090 CA LEU A 83 4.459 -4.278 2.038 1.00 0.00 C ATOM 1091 C LEU A 83 4.524 -3.428 3.301 1.00 0.00 C ATOM 1092 O LEU A 83 4.178 -2.247 3.283 1.00 0.00 O ATOM 1093 CB LEU A 83 3.104 -4.983 1.948 1.00 0.00 C ATOM 1094 CG LEU A 83 2.749 -5.529 0.564 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.135 -6.918 0.674 1.00 0.00 C ATOM 1096 CD2 LEU A 83 1.802 -4.580 -0.155 1.00 0.00 C ATOM 0 H LEU A 83 5.243 -6.202 2.276 1.00 0.00 H new ATOM 0 HA LEU A 83 4.574 -3.629 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.092 -5.807 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.327 -4.284 2.256 1.00 0.00 H new ATOM 0 HG LEU A 83 3.666 -5.608 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.890 -7.287 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.847 -7.594 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.228 -6.868 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.560 -4.984 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.887 -4.468 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.280 -3.607 -0.270 1.00 0.00 H new ATOM 1108 N VAL A 84 4.981 -4.034 4.394 1.00 0.00 N ATOM 1109 CA VAL A 84 5.103 -3.326 5.662 1.00 0.00 C ATOM 1110 C VAL A 84 6.218 -2.292 5.590 1.00 0.00 C ATOM 1111 O VAL A 84 6.107 -1.205 6.156 1.00 0.00 O ATOM 1112 CB VAL A 84 5.380 -4.298 6.826 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.403 -3.551 8.154 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.346 -5.414 6.851 1.00 0.00 C ATOM 0 H VAL A 84 5.272 -5.011 4.426 1.00 0.00 H new ATOM 0 HA VAL A 84 4.153 -2.825 5.848 1.00 0.00 H new ATOM 0 HB VAL A 84 6.361 -4.748 6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.600 -4.254 8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.187 -2.794 8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.439 -3.070 8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.559 -6.089 7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.352 -4.986 6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.385 -5.967 5.913 1.00 0.00 H new ATOM 1124 N LYS A 85 7.291 -2.636 4.883 1.00 0.00 N ATOM 1125 CA LYS A 85 8.424 -1.733 4.727 1.00 0.00 C ATOM 1126 C LYS A 85 8.066 -0.581 3.797 1.00 0.00 C ATOM 1127 O LYS A 85 8.395 0.575 4.062 1.00 0.00 O ATOM 1128 CB LYS A 85 9.638 -2.489 4.179 1.00 0.00 C ATOM 1129 CG LYS A 85 10.367 -3.310 5.231 1.00 0.00 C ATOM 1130 CD LYS A 85 11.707 -2.692 5.594 1.00 0.00 C ATOM 1131 CE LYS A 85 12.249 -3.261 6.894 1.00 0.00 C ATOM 1132 NZ LYS A 85 11.627 -2.617 8.084 1.00 0.00 N ATOM 0 H LYS A 85 7.398 -3.533 4.410 1.00 0.00 H new ATOM 0 HA LYS A 85 8.674 -1.327 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.312 -3.150 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.334 -1.774 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.748 -3.389 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.522 -4.323 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.421 -2.872 4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.597 -1.611 5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.065 -4.335 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.329 -3.121 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.024 -3.033 8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.824 -1.596 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.599 -2.772 8.065 1.00 0.00 H new ATOM 1146 N SER A 86 7.380 -0.907 2.708 1.00 0.00 N ATOM 1147 CA SER A 86 6.965 0.099 1.738 1.00 0.00 C ATOM 1148 C SER A 86 5.809 0.927 2.289 1.00 0.00 C ATOM 1149 O SER A 86 5.716 2.127 2.041 1.00 0.00 O ATOM 1150 CB SER A 86 6.557 -0.567 0.421 1.00 0.00 C ATOM 1151 OG SER A 86 7.408 -0.167 -0.638 1.00 0.00 O ATOM 0 H SER A 86 7.100 -1.859 2.475 1.00 0.00 H new ATOM 0 HA SER A 86 7.809 0.763 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.594 -1.651 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.526 -0.306 0.182 1.00 0.00 H new ATOM 0 HG SER A 86 7.127 -0.607 -1.467 1.00 0.00 H new ATOM 1157 N SER A 87 4.933 0.272 3.047 1.00 0.00 N ATOM 1158 CA SER A 87 3.785 0.947 3.638 1.00 0.00 C ATOM 1159 C SER A 87 4.234 1.927 4.716 1.00 0.00 C ATOM 1160 O SER A 87 3.845 3.094 4.705 1.00 0.00 O ATOM 1161 CB SER A 87 2.815 -0.075 4.233 1.00 0.00 C ATOM 1162 OG SER A 87 2.121 -0.773 3.214 1.00 0.00 O ATOM 0 H SER A 87 4.997 -0.722 3.265 1.00 0.00 H new ATOM 0 HA SER A 87 3.275 1.503 2.852 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.364 -0.783 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.101 0.432 4.882 1.00 0.00 H new ATOM 0 HG SER A 87 2.691 -1.487 2.860 1.00 0.00 H new ATOM 1168 N GLU A 88 5.063 1.449 5.640 1.00 0.00 N ATOM 1169 CA GLU A 88 5.567 2.294 6.716 1.00 0.00 C ATOM 1170 C GLU A 88 6.351 3.470 6.143 1.00 0.00 C ATOM 1171 O GLU A 88 6.257 4.592 6.640 1.00 0.00 O ATOM 1172 CB GLU A 88 6.450 1.485 7.669 1.00 0.00 C ATOM 1173 CG GLU A 88 7.675 0.882 7.002 1.00 0.00 C ATOM 1174 CD GLU A 88 8.840 1.849 6.942 1.00 0.00 C ATOM 1175 OE1 GLU A 88 9.213 2.398 8.001 1.00 0.00 O ATOM 1176 OE2 GLU A 88 9.381 2.058 5.836 1.00 0.00 O ATOM 0 H GLU A 88 5.398 0.486 5.665 1.00 0.00 H new ATOM 0 HA GLU A 88 4.715 2.679 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.773 2.129 8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.856 0.684 8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.978 -0.012 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.416 0.567 5.991 1.00 0.00 H new ATOM 1183 N ASP A 89 7.111 3.205 5.086 1.00 0.00 N ATOM 1184 CA ASP A 89 7.898 4.245 4.437 1.00 0.00 C ATOM 1185 C ASP A 89 6.979 5.281 3.799 1.00 0.00 C ATOM 1186 O ASP A 89 7.305 6.467 3.744 1.00 0.00 O ATOM 1187 CB ASP A 89 8.817 3.637 3.375 1.00 0.00 C ATOM 1188 CG ASP A 89 10.062 4.470 3.142 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.004 5.698 3.360 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.094 3.893 2.742 1.00 0.00 O ATOM 0 H ASP A 89 7.198 2.281 4.662 1.00 0.00 H new ATOM 0 HA ASP A 89 8.513 4.734 5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.108 2.632 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.269 3.538 2.438 1.00 0.00 H new ATOM 1195 N LEU A 90 5.824 4.822 3.326 1.00 0.00 N ATOM 1196 CA LEU A 90 4.849 5.706 2.698 1.00 0.00 C ATOM 1197 C LEU A 90 4.309 6.714 3.706 1.00 0.00 C ATOM 1198 O LEU A 90 4.191 7.902 3.410 1.00 0.00 O ATOM 1199 CB LEU A 90 3.700 4.888 2.100 1.00 0.00 C ATOM 1200 CG LEU A 90 2.511 5.706 1.591 1.00 0.00 C ATOM 1201 CD1 LEU A 90 1.776 4.950 0.495 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.565 6.040 2.736 1.00 0.00 C ATOM 0 H LEU A 90 5.541 3.843 3.366 1.00 0.00 H new ATOM 0 HA LEU A 90 5.346 6.253 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.091 4.293 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.342 4.189 2.856 1.00 0.00 H new ATOM 0 HG LEU A 90 2.888 6.639 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.933 5.546 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.456 4.760 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.411 4.002 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.725 6.622 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.195 5.117 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.097 6.620 3.490 1.00 0.00 H new ATOM 1214 N LEU A 91 3.992 6.230 4.903 1.00 0.00 N ATOM 1215 CA LEU A 91 3.476 7.098 5.957 1.00 0.00 C ATOM 1216 C LEU A 91 4.516 8.145 6.316 1.00 0.00 C ATOM 1217 O LEU A 91 4.203 9.324 6.481 1.00 0.00 O ATOM 1218 CB LEU A 91 3.105 6.295 7.206 1.00 0.00 C ATOM 1219 CG LEU A 91 2.534 4.907 6.938 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.368 4.135 8.238 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.208 5.008 6.199 1.00 0.00 C ATOM 0 H LEU A 91 4.082 5.249 5.167 1.00 0.00 H new ATOM 0 HA LEU A 91 2.575 7.585 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.993 6.191 7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.376 6.865 7.782 1.00 0.00 H new ATOM 0 HG LEU A 91 3.237 4.363 6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.959 3.147 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.338 4.029 8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.688 4.675 8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.816 4.007 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.497 5.572 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.360 5.517 5.247 1.00 0.00 H new ATOM 1233 N SER A 92 5.761 7.697 6.429 1.00 0.00 N ATOM 1234 CA SER A 92 6.869 8.589 6.759 1.00 0.00 C ATOM 1235 C SER A 92 6.925 9.754 5.778 1.00 0.00 C ATOM 1236 O SER A 92 7.046 10.913 6.179 1.00 0.00 O ATOM 1237 CB SER A 92 8.193 7.823 6.739 1.00 0.00 C ATOM 1238 OG SER A 92 8.261 6.891 7.805 1.00 0.00 O ATOM 0 H SER A 92 6.030 6.722 6.297 1.00 0.00 H new ATOM 0 HA SER A 92 6.706 8.983 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.300 7.301 5.788 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.024 8.525 6.812 1.00 0.00 H new ATOM 0 HG SER A 92 7.693 6.119 7.601 1.00 0.00 H new ATOM 1244 N ALA A 93 6.819 9.438 4.493 1.00 0.00 N ATOM 1245 CA ALA A 93 6.841 10.458 3.455 1.00 0.00 C ATOM 1246 C ALA A 93 5.661 11.406 3.617 1.00 0.00 C ATOM 1247 O ALA A 93 5.795 12.620 3.459 1.00 0.00 O ATOM 1248 CB ALA A 93 6.823 9.811 2.077 1.00 0.00 C ATOM 0 H ALA A 93 6.717 8.484 4.146 1.00 0.00 H new ATOM 0 HA ALA A 93 7.761 11.035 3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.840 10.586 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.698 9.170 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.919 9.212 1.968 1.00 0.00 H new ATOM 1254 N LEU A 94 4.503 10.838 3.945 1.00 0.00 N ATOM 1255 CA LEU A 94 3.294 11.624 4.143 1.00 0.00 C ATOM 1256 C LEU A 94 3.509 12.673 5.229 1.00 0.00 C ATOM 1257 O LEU A 94 3.217 13.852 5.037 1.00 0.00 O ATOM 1258 CB LEU A 94 2.125 10.710 4.524 1.00 0.00 C ATOM 1259 CG LEU A 94 1.000 10.631 3.491 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.498 9.979 2.208 1.00 0.00 C ATOM 1261 CD2 LEU A 94 -0.187 9.865 4.057 1.00 0.00 C ATOM 0 H LEU A 94 4.379 9.834 4.079 1.00 0.00 H new ATOM 0 HA LEU A 94 3.058 12.133 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.511 9.705 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.706 11.056 5.469 1.00 0.00 H new ATOM 0 HG LEU A 94 0.675 11.644 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.684 9.931 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.317 10.568 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.850 8.971 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.979 9.818 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.124 8.854 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.558 10.374 4.947 1.00 0.00 H new ATOM 1273 N GLN A 95 4.033 12.230 6.366 1.00 0.00 N ATOM 1274 CA GLN A 95 4.300 13.123 7.488 1.00 0.00 C ATOM 1275 C GLN A 95 5.201 14.273 7.055 1.00 0.00 C ATOM 1276 O GLN A 95 4.978 15.425 7.426 1.00 0.00 O ATOM 1277 CB GLN A 95 4.951 12.354 8.639 1.00 0.00 C ATOM 1278 CG GLN A 95 3.949 11.740 9.603 1.00 0.00 C ATOM 1279 CD GLN A 95 3.989 10.224 9.600 1.00 0.00 C ATOM 1280 OE1 GLN A 95 5.052 9.618 9.743 1.00 0.00 O ATOM 1281 NE2 GLN A 95 2.827 9.602 9.436 1.00 0.00 N ATOM 0 H GLN A 95 4.282 11.256 6.536 1.00 0.00 H new ATOM 0 HA GLN A 95 3.350 13.533 7.831 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.579 11.563 8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.607 13.028 9.190 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.151 12.103 10.611 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.945 12.074 9.339 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.970 10.144 9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.791 8.583 9.425 1.00 0.00 H new ATOM 1290 N LYS A 96 6.219 13.951 6.261 1.00 0.00 N ATOM 1291 CA LYS A 96 7.149 14.960 5.770 1.00 0.00 C ATOM 1292 C LYS A 96 6.409 16.026 4.968 1.00 0.00 C ATOM 1293 O LYS A 96 6.721 17.212 5.055 1.00 0.00 O ATOM 1294 CB LYS A 96 8.230 14.310 4.903 1.00 0.00 C ATOM 1295 CG LYS A 96 8.985 13.194 5.608 1.00 0.00 C ATOM 1296 CD LYS A 96 10.475 13.251 5.304 1.00 0.00 C ATOM 1297 CE LYS A 96 10.807 12.521 4.013 1.00 0.00 C ATOM 1298 NZ LYS A 96 10.945 13.458 2.864 1.00 0.00 N ATOM 0 H LYS A 96 6.419 13.002 5.946 1.00 0.00 H new ATOM 0 HA LYS A 96 7.623 15.435 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.769 13.911 4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.940 15.075 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.829 13.271 6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.585 12.229 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.793 14.291 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.033 12.807 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.735 11.963 4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.025 11.793 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.171 12.920 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.052 13.972 2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.708 14.137 3.059 1.00 0.00 H new ATOM 1312 N LYS A 97 5.422 15.589 4.191 1.00 0.00 N ATOM 1313 CA LYS A 97 4.628 16.498 3.371 1.00 0.00 C ATOM 1314 C LYS A 97 3.876 17.498 4.235 1.00 0.00 C ATOM 1315 O LYS A 97 3.849 18.695 3.953 1.00 0.00 O ATOM 1316 CB LYS A 97 3.635 15.711 2.526 1.00 0.00 C ATOM 1317 CG LYS A 97 4.306 14.855 1.477 1.00 0.00 C ATOM 1318 CD LYS A 97 3.557 13.556 1.260 1.00 0.00 C ATOM 1319 CE LYS A 97 3.131 13.386 -0.190 1.00 0.00 C ATOM 1320 NZ LYS A 97 3.292 11.982 -0.658 1.00 0.00 N ATOM 0 H LYS A 97 5.153 14.608 4.112 1.00 0.00 H new ATOM 0 HA LYS A 97 5.310 17.044 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.035 15.075 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.950 16.405 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.362 15.405 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.330 14.639 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.189 12.718 1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.677 13.532 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.089 13.687 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.723 14.049 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.482 11.720 -1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.171 11.898 -1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.336 11.345 0.163 1.00 0.00 H new