USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 23 LYS NZ :NH3+ 174:sc= -0.0796 (180deg=-0.147) USER MOD Single : A 26 THR OG1 : rot -10:sc= -0.777 USER MOD Single : A 28 LYS NZ :NH3+ 142:sc= 1.26 (180deg=-0.158) 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 :FLIP amide:sc= -0.543 F(o=-1.4,f=-0.54) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -6.54 K(o=-6.5,f=-15!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= -0.148 (180deg=-0.591) USER MOD Single : A 54 ASN : amide:sc= -6.64! C(o=-6.6!,f=-16!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -144:sc= -2.55! (180deg=-4.29!) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 0.158 (180deg=0.0085) USER MOD Single : A 67 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.216) USER MOD Single : A 68 SER OG : rot 91:sc= 1.22 USER MOD Single : A 69 THR OG1 : rot -55:sc= 1.01 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 166:sc= -3.29 (180deg=-4.03) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= -0.023 (180deg=-0.207) 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= 1.28 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.09 K(o=-1.1,f=-6.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= -0.509 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 20 -3.792 -17.588 4.403 1.00 0.00 N ATOM 47 CA SER A 20 -2.887 -16.524 3.985 1.00 0.00 C ATOM 48 C SER A 20 -3.645 -15.416 3.259 1.00 0.00 C ATOM 49 O SER A 20 -3.387 -14.232 3.472 1.00 0.00 O ATOM 50 CB SER A 20 -1.790 -17.086 3.079 1.00 0.00 C ATOM 51 OG SER A 20 -0.675 -17.523 3.837 1.00 0.00 O ATOM 0 HA SER A 20 -2.429 -16.100 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.186 -17.918 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.474 -16.322 2.369 1.00 0.00 H new ATOM 0 HG SER A 20 0.011 -17.879 3.234 1.00 0.00 H new ATOM 57 N LEU A 21 -4.581 -15.811 2.399 1.00 0.00 N ATOM 58 CA LEU A 21 -5.379 -14.852 1.641 1.00 0.00 C ATOM 59 C LEU A 21 -6.050 -13.842 2.567 1.00 0.00 C ATOM 60 O LEU A 21 -6.239 -12.681 2.202 1.00 0.00 O ATOM 61 CB LEU A 21 -6.438 -15.583 0.813 1.00 0.00 C ATOM 62 CG LEU A 21 -5.889 -16.535 -0.250 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.927 -17.585 -0.614 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.458 -15.760 -1.488 1.00 0.00 C ATOM 0 H LEU A 21 -4.805 -16.788 2.210 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.710 -14.311 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.078 -16.149 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.069 -14.841 0.323 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.016 -17.042 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.518 -18.253 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.189 -18.160 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.819 -17.095 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.070 -16.453 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.315 -15.226 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.681 -15.045 -1.218 1.00 0.00 H new ATOM 76 N VAL A 22 -6.407 -14.290 3.767 1.00 0.00 N ATOM 77 CA VAL A 22 -7.055 -13.423 4.742 1.00 0.00 C ATOM 78 C VAL A 22 -6.128 -12.288 5.170 1.00 0.00 C ATOM 79 O VAL A 22 -6.533 -11.128 5.212 1.00 0.00 O ATOM 80 CB VAL A 22 -7.504 -14.212 5.990 1.00 0.00 C ATOM 81 CG1 VAL A 22 -6.307 -14.839 6.689 1.00 0.00 C ATOM 82 CG2 VAL A 22 -8.278 -13.313 6.941 1.00 0.00 C ATOM 0 H VAL A 22 -6.258 -15.247 4.086 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.936 -13.003 4.256 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.166 -15.016 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.646 -15.391 7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.802 -15.520 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.615 -14.056 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.586 -13.887 7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.643 -12.485 7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.160 -12.922 6.435 1.00 0.00 H new ATOM 92 N LYS A 23 -4.882 -12.632 5.482 1.00 0.00 N ATOM 93 CA LYS A 23 -3.900 -11.640 5.903 1.00 0.00 C ATOM 94 C LYS A 23 -3.584 -10.681 4.763 1.00 0.00 C ATOM 95 O LYS A 23 -3.566 -9.462 4.944 1.00 0.00 O ATOM 96 CB LYS A 23 -2.620 -12.329 6.379 1.00 0.00 C ATOM 97 CG LYS A 23 -2.777 -13.054 7.707 1.00 0.00 C ATOM 98 CD LYS A 23 -2.716 -14.565 7.530 1.00 0.00 C ATOM 99 CE LYS A 23 -1.364 -15.123 7.949 1.00 0.00 C ATOM 100 NZ LYS A 23 -0.691 -15.840 6.831 1.00 0.00 N ATOM 0 H LYS A 23 -4.530 -13.589 5.451 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.322 -11.069 6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.298 -13.043 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.829 -11.584 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.991 -12.735 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.728 -12.778 8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.503 -15.033 8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.908 -14.818 6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.726 -14.309 8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.497 -15.804 8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.268 -16.117 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.237 -16.690 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.633 -15.214 6.002 1.00 0.00 H new ATOM 114 N VAL A 24 -3.346 -11.241 3.583 1.00 0.00 N ATOM 115 CA VAL A 24 -3.039 -10.439 2.405 1.00 0.00 C ATOM 116 C VAL A 24 -4.158 -9.439 2.138 1.00 0.00 C ATOM 117 O VAL A 24 -3.906 -8.263 1.867 1.00 0.00 O ATOM 118 CB VAL A 24 -2.833 -11.319 1.154 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.189 -10.514 0.035 1.00 0.00 C ATOM 120 CG2 VAL A 24 -1.993 -12.545 1.491 1.00 0.00 C ATOM 0 H VAL A 24 -3.360 -12.247 3.416 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.110 -9.907 2.609 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.809 -11.661 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.052 -11.151 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.833 -9.674 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.221 -10.140 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.860 -13.152 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.019 -12.228 1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.499 -13.134 2.256 1.00 0.00 H new ATOM 130 N GLY A 25 -5.398 -9.911 2.233 1.00 0.00 N ATOM 131 CA GLY A 25 -6.538 -9.042 2.017 1.00 0.00 C ATOM 132 C GLY A 25 -6.574 -7.910 3.023 1.00 0.00 C ATOM 133 O GLY A 25 -6.912 -6.775 2.683 1.00 0.00 O ATOM 0 H GLY A 25 -5.632 -10.879 2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.498 -8.632 1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.458 -9.623 2.088 1.00 0.00 H new ATOM 137 N THR A 26 -6.208 -8.220 4.264 1.00 0.00 N ATOM 138 CA THR A 26 -6.182 -7.220 5.324 1.00 0.00 C ATOM 139 C THR A 26 -5.263 -6.070 4.936 1.00 0.00 C ATOM 140 O THR A 26 -5.597 -4.900 5.126 1.00 0.00 O ATOM 141 CB THR A 26 -5.712 -7.846 6.637 1.00 0.00 C ATOM 142 OG1 THR A 26 -6.093 -9.208 6.708 1.00 0.00 O ATOM 143 CG2 THR A 26 -6.266 -7.153 7.864 1.00 0.00 C ATOM 0 H THR A 26 -5.926 -9.155 4.559 1.00 0.00 H new ATOM 0 HA THR A 26 -7.192 -6.835 5.463 1.00 0.00 H new ATOM 0 HB THR A 26 -4.627 -7.737 6.635 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.711 -9.414 5.975 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.893 -7.648 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.950 -6.110 7.867 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.355 -7.202 7.849 1.00 0.00 H new ATOM 151 N LEU A 27 -4.106 -6.412 4.375 1.00 0.00 N ATOM 152 CA LEU A 27 -3.146 -5.407 3.944 1.00 0.00 C ATOM 153 C LEU A 27 -3.760 -4.525 2.869 1.00 0.00 C ATOM 154 O LEU A 27 -3.630 -3.301 2.910 1.00 0.00 O ATOM 155 CB LEU A 27 -1.870 -6.070 3.419 1.00 0.00 C ATOM 156 CG LEU A 27 -0.634 -5.171 3.399 1.00 0.00 C ATOM 157 CD1 LEU A 27 -0.788 -4.078 2.353 1.00 0.00 C ATOM 158 CD2 LEU A 27 -0.394 -4.565 4.774 1.00 0.00 C ATOM 0 H LEU A 27 -3.814 -7.375 4.210 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.884 -4.788 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.654 -6.944 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.056 -6.429 2.407 1.00 0.00 H new ATOM 0 HG LEU A 27 0.231 -5.779 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.101 -3.447 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.912 -4.531 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.663 -3.472 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.490 -3.928 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.260 -3.970 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.240 -5.362 5.501 1.00 0.00 H new ATOM 170 N LYS A 28 -4.454 -5.146 1.918 1.00 0.00 N ATOM 171 CA LYS A 28 -5.111 -4.398 0.853 1.00 0.00 C ATOM 172 C LYS A 28 -5.992 -3.319 1.472 1.00 0.00 C ATOM 173 O LYS A 28 -6.052 -2.186 0.990 1.00 0.00 O ATOM 174 CB LYS A 28 -5.949 -5.332 -0.023 1.00 0.00 C ATOM 175 CG LYS A 28 -5.501 -5.371 -1.475 1.00 0.00 C ATOM 176 CD LYS A 28 -6.136 -6.532 -2.223 1.00 0.00 C ATOM 177 CE LYS A 28 -7.446 -6.125 -2.879 1.00 0.00 C ATOM 178 NZ LYS A 28 -7.301 -5.962 -4.353 1.00 0.00 N ATOM 0 H LYS A 28 -4.575 -6.157 1.864 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.355 -3.932 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.904 -6.340 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.992 -5.017 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.766 -4.433 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.415 -5.458 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.446 -6.897 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.315 -7.356 -1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.206 -6.878 -2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.795 -5.189 -2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.156 -6.317 -4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.172 -4.955 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.474 -6.500 -4.682 1.00 0.00 H new ATOM 192 N LYS A 29 -6.651 -3.684 2.568 1.00 0.00 N ATOM 193 CA LYS A 29 -7.505 -2.756 3.288 1.00 0.00 C ATOM 194 C LYS A 29 -6.660 -1.628 3.866 1.00 0.00 C ATOM 195 O LYS A 29 -7.081 -0.472 3.891 1.00 0.00 O ATOM 196 CB LYS A 29 -8.264 -3.477 4.405 1.00 0.00 C ATOM 197 CG LYS A 29 -9.672 -3.894 4.015 1.00 0.00 C ATOM 198 CD LYS A 29 -9.716 -5.341 3.552 1.00 0.00 C ATOM 199 CE LYS A 29 -11.146 -5.847 3.430 1.00 0.00 C ATOM 200 NZ LYS A 29 -11.465 -6.864 4.470 1.00 0.00 N ATOM 0 H LYS A 29 -6.607 -4.619 2.974 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.236 -2.339 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.701 -4.362 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.316 -2.825 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.340 -3.763 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.038 -3.245 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.214 -5.431 2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.167 -5.966 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.837 -5.008 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.295 -6.280 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.448 -7.184 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.823 -7.676 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.348 -6.444 5.414 1.00 0.00 H new ATOM 214 N ARG A 30 -5.452 -1.973 4.315 1.00 0.00 N ATOM 215 CA ARG A 30 -4.541 -0.982 4.870 1.00 0.00 C ATOM 216 C ARG A 30 -4.129 0.008 3.787 1.00 0.00 C ATOM 217 O ARG A 30 -3.917 1.191 4.059 1.00 0.00 O ATOM 218 CB ARG A 30 -3.303 -1.663 5.458 1.00 0.00 C ATOM 219 CG ARG A 30 -3.623 -2.653 6.566 1.00 0.00 C ATOM 220 CD ARG A 30 -4.378 -1.991 7.710 1.00 0.00 C ATOM 221 NE ARG A 30 -3.723 -2.210 8.998 1.00 0.00 N ATOM 222 CZ ARG A 30 -4.268 -1.894 10.170 1.00 0.00 C ATOM 223 NH1 ARG A 30 -5.476 -1.344 10.222 1.00 0.00 N ATOM 224 NH2 ARG A 30 -3.605 -2.127 11.294 1.00 0.00 N ATOM 0 H ARG A 30 -5.087 -2.926 4.304 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.053 -0.445 5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.771 -2.182 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.629 -0.900 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.219 -3.472 6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.698 -3.088 6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.457 -0.920 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.394 -2.383 7.749 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.793 -2.630 8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.991 -1.162 9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.889 -1.104 11.123 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.677 -2.549 11.261 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.023 -1.885 12.192 1.00 0.00 H new ATOM 238 N LEU A 31 -4.033 -0.486 2.556 1.00 0.00 N ATOM 239 CA LEU A 31 -3.663 0.349 1.422 1.00 0.00 C ATOM 240 C LEU A 31 -4.706 1.437 1.205 1.00 0.00 C ATOM 241 O LEU A 31 -4.382 2.625 1.139 1.00 0.00 O ATOM 242 CB LEU A 31 -3.521 -0.504 0.158 1.00 0.00 C ATOM 243 CG LEU A 31 -2.083 -0.735 -0.309 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.373 -1.716 0.610 1.00 0.00 C ATOM 245 CD2 LEU A 31 -2.066 -1.239 -1.745 1.00 0.00 C ATOM 0 H LEU A 31 -4.207 -1.463 2.320 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.704 0.820 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.989 -1.472 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.077 -0.026 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.551 0.216 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.351 -1.867 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.355 -1.317 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.903 -2.668 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.036 -1.398 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.614 -2.179 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.536 -0.501 -2.395 1.00 0.00 H new ATOM 257 N ASP A 32 -5.968 1.025 1.106 1.00 0.00 N ATOM 258 CA ASP A 32 -7.062 1.967 0.909 1.00 0.00 C ATOM 259 C ASP A 32 -7.090 2.991 2.040 1.00 0.00 C ATOM 260 O ASP A 32 -7.390 4.166 1.825 1.00 0.00 O ATOM 261 CB ASP A 32 -8.398 1.225 0.837 1.00 0.00 C ATOM 262 CG ASP A 32 -8.940 1.145 -0.577 1.00 0.00 C ATOM 263 OD1 ASP A 32 -8.155 0.833 -1.496 1.00 0.00 O ATOM 264 OD2 ASP A 32 -10.150 1.394 -0.765 1.00 0.00 O ATOM 0 H ASP A 32 -6.256 0.048 1.159 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.902 2.490 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.272 0.217 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.125 1.729 1.474 1.00 0.00 H new ATOM 269 N LYS A 33 -6.761 2.532 3.245 1.00 0.00 N ATOM 270 CA LYS A 33 -6.735 3.401 4.414 1.00 0.00 C ATOM 271 C LYS A 33 -5.743 4.542 4.207 1.00 0.00 C ATOM 272 O LYS A 33 -6.041 5.699 4.502 1.00 0.00 O ATOM 273 CB LYS A 33 -6.360 2.596 5.662 1.00 0.00 C ATOM 274 CG LYS A 33 -6.154 3.447 6.904 1.00 0.00 C ATOM 275 CD LYS A 33 -7.462 4.056 7.387 1.00 0.00 C ATOM 276 CE LYS A 33 -7.221 5.295 8.232 1.00 0.00 C ATOM 277 NZ LYS A 33 -7.391 5.019 9.685 1.00 0.00 N ATOM 0 H LYS A 33 -6.509 1.562 3.435 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.729 3.825 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.144 1.865 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.446 2.037 5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.721 2.837 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.440 4.241 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.083 4.315 6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.014 3.319 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.213 5.669 8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.912 6.081 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.218 5.890 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.360 4.687 9.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.714 4.287 9.981 1.00 0.00 H new ATOM 291 N PHE A 34 -4.564 4.205 3.693 1.00 0.00 N ATOM 292 CA PHE A 34 -3.532 5.201 3.440 1.00 0.00 C ATOM 293 C PHE A 34 -4.025 6.238 2.438 1.00 0.00 C ATOM 294 O PHE A 34 -3.816 7.437 2.615 1.00 0.00 O ATOM 295 CB PHE A 34 -2.260 4.531 2.918 1.00 0.00 C ATOM 296 CG PHE A 34 -1.804 3.368 3.752 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.863 3.423 5.137 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.314 2.219 3.154 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.445 2.355 5.907 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.894 1.147 3.918 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.960 1.214 5.295 1.00 0.00 C ATOM 0 H PHE A 34 -4.301 3.251 3.444 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.304 5.704 4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.433 4.189 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.461 5.271 2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.241 4.312 5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.259 2.160 2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.497 2.411 6.984 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.514 0.257 3.438 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.633 0.376 5.894 1.00 0.00 H new ATOM 311 N ASN A 35 -4.689 5.766 1.386 1.00 0.00 N ATOM 312 CA ASN A 35 -5.222 6.651 0.357 1.00 0.00 C ATOM 313 C ASN A 35 -6.113 7.726 0.975 1.00 0.00 C ATOM 314 O ASN A 35 -5.994 8.907 0.652 1.00 0.00 O ATOM 315 CB ASN A 35 -6.013 5.846 -0.676 1.00 0.00 C ATOM 316 CG ASN A 35 -5.512 6.066 -2.089 1.00 0.00 C ATOM 317 OD1 ASN A 35 -5.212 4.976 -2.785 1.00 0.00 O flip ATOM 318 ND2 ASN A 35 -5.398 7.201 -2.551 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.870 4.775 1.225 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.384 7.140 -0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.949 4.786 -0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.066 6.123 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.640 8.011 -1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.061 7.332 -3.505 1.00 0.00 H new ATOM 325 N GLU A 36 -7.006 7.305 1.866 1.00 0.00 N ATOM 326 CA GLU A 36 -7.915 8.230 2.532 1.00 0.00 C ATOM 327 C GLU A 36 -7.141 9.296 3.297 1.00 0.00 C ATOM 328 O GLU A 36 -7.387 10.492 3.141 1.00 0.00 O ATOM 329 CB GLU A 36 -8.842 7.472 3.484 1.00 0.00 C ATOM 330 CG GLU A 36 -9.532 6.280 2.841 1.00 0.00 C ATOM 331 CD GLU A 36 -10.858 5.950 3.498 1.00 0.00 C ATOM 332 OE1 GLU A 36 -11.516 6.881 4.008 1.00 0.00 O ATOM 333 OE2 GLU A 36 -11.238 4.761 3.505 1.00 0.00 O ATOM 0 H GLU A 36 -7.119 6.330 2.143 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.517 8.722 1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.265 7.128 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.599 8.158 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.696 6.487 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.876 5.411 2.898 1.00 0.00 H new ATOM 340 N VAL A 37 -6.203 8.853 4.125 1.00 0.00 N ATOM 341 CA VAL A 37 -5.387 9.766 4.916 1.00 0.00 C ATOM 342 C VAL A 37 -4.573 10.691 4.016 1.00 0.00 C ATOM 343 O VAL A 37 -4.429 11.879 4.300 1.00 0.00 O ATOM 344 CB VAL A 37 -4.429 9.002 5.849 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.729 9.961 6.801 1.00 0.00 C ATOM 346 CG2 VAL A 37 -5.178 7.926 6.619 1.00 0.00 C ATOM 0 H VAL A 37 -5.988 7.866 4.266 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.072 10.359 5.522 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.669 8.516 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.057 9.402 7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.156 10.690 6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.472 10.479 7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.485 7.397 7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.962 8.387 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.625 7.221 5.918 1.00 0.00 H new ATOM 356 N VAL A 38 -4.044 10.135 2.931 1.00 0.00 N ATOM 357 CA VAL A 38 -3.245 10.906 1.988 1.00 0.00 C ATOM 358 C VAL A 38 -4.106 11.926 1.251 1.00 0.00 C ATOM 359 O VAL A 38 -3.680 13.057 1.013 1.00 0.00 O ATOM 360 CB VAL A 38 -2.550 9.989 0.961 1.00 0.00 C ATOM 361 CG1 VAL A 38 -1.680 10.802 0.011 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.725 8.924 1.672 1.00 0.00 C ATOM 0 H VAL A 38 -4.155 9.152 2.684 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.483 11.429 2.565 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.319 9.491 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.200 10.134 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.300 11.522 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.917 11.333 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.241 8.285 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.966 9.404 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.377 8.320 2.303 1.00 0.00 H new ATOM 372 N SER A 39 -5.318 11.521 0.889 1.00 0.00 N ATOM 373 CA SER A 39 -6.238 12.403 0.180 1.00 0.00 C ATOM 374 C SER A 39 -6.724 13.528 1.089 1.00 0.00 C ATOM 375 O SER A 39 -7.109 14.598 0.617 1.00 0.00 O ATOM 376 CB SER A 39 -7.432 11.608 -0.350 1.00 0.00 C ATOM 377 OG SER A 39 -7.977 12.219 -1.506 1.00 0.00 O ATOM 0 H SER A 39 -5.686 10.588 1.075 1.00 0.00 H new ATOM 0 HA SER A 39 -5.703 12.846 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.120 10.590 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.197 11.536 0.423 1.00 0.00 H new ATOM 0 HG SER A 39 -8.738 11.691 -1.827 1.00 0.00 H new ATOM 383 N ALA A 40 -6.705 13.280 2.396 1.00 0.00 N ATOM 384 CA ALA A 40 -7.145 14.272 3.369 1.00 0.00 C ATOM 385 C ALA A 40 -6.130 15.401 3.510 1.00 0.00 C ATOM 386 O ALA A 40 -6.496 16.546 3.773 1.00 0.00 O ATOM 387 CB ALA A 40 -7.392 13.612 4.717 1.00 0.00 C ATOM 0 H ALA A 40 -6.389 12.400 2.804 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.078 14.705 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.720 14.363 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.163 12.849 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.470 13.150 5.071 1.00 0.00 H new ATOM 393 N LEU A 41 -4.853 15.072 3.340 1.00 0.00 N ATOM 394 CA LEU A 41 -3.791 16.064 3.454 1.00 0.00 C ATOM 395 C LEU A 41 -3.390 16.610 2.083 1.00 0.00 C ATOM 396 O LEU A 41 -2.827 17.699 1.982 1.00 0.00 O ATOM 397 CB LEU A 41 -2.573 15.462 4.159 1.00 0.00 C ATOM 398 CG LEU A 41 -1.801 14.418 3.349 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.507 15.009 2.814 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.515 13.189 4.199 1.00 0.00 C ATOM 0 H LEU A 41 -4.530 14.129 3.124 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.172 16.894 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.891 16.270 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.903 15.004 5.092 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.417 14.115 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.029 14.253 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.734 15.859 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.113 15.340 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.965 12.457 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.919 13.476 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.455 12.752 4.535 1.00 0.00 H new ATOM 412 N LYS A 42 -3.686 15.850 1.033 1.00 0.00 N ATOM 413 CA LYS A 42 -3.356 16.266 -0.326 1.00 0.00 C ATOM 414 C LYS A 42 -1.850 16.451 -0.492 1.00 0.00 C ATOM 415 O LYS A 42 -1.076 16.167 0.422 1.00 0.00 O ATOM 416 CB LYS A 42 -4.084 17.567 -0.672 1.00 0.00 C ATOM 417 CG LYS A 42 -5.595 17.415 -0.753 1.00 0.00 C ATOM 418 CD LYS A 42 -6.299 18.248 0.305 1.00 0.00 C ATOM 419 CE LYS A 42 -7.750 17.824 0.475 1.00 0.00 C ATOM 420 NZ LYS A 42 -8.582 18.207 -0.700 1.00 0.00 N ATOM 0 H LYS A 42 -4.153 14.945 1.097 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.682 15.481 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.842 18.320 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.713 17.939 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.939 17.716 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.863 16.366 -0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.776 18.148 1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.257 19.301 0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.798 16.744 0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.159 18.283 1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.564 17.900 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.557 19.240 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.207 17.749 -1.555 1.00 0.00 H new ATOM 434 N ASP A 43 -1.439 16.930 -1.663 1.00 0.00 N ATOM 435 CA ASP A 43 -0.025 17.153 -1.951 1.00 0.00 C ATOM 436 C ASP A 43 0.713 15.827 -2.108 1.00 0.00 C ATOM 437 O ASP A 43 0.473 14.880 -1.362 1.00 0.00 O ATOM 438 CB ASP A 43 0.625 17.983 -0.841 1.00 0.00 C ATOM 439 CG ASP A 43 1.649 18.965 -1.377 1.00 0.00 C ATOM 440 OD1 ASP A 43 1.304 19.744 -2.291 1.00 0.00 O ATOM 441 OD2 ASP A 43 2.796 18.956 -0.883 1.00 0.00 O ATOM 0 H ASP A 43 -2.067 17.172 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 43 0.044 17.703 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.148 18.528 -0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.106 17.315 -0.126 1.00 0.00 H new ATOM 446 N GLY A 44 1.609 15.767 -3.088 1.00 0.00 N ATOM 447 CA GLY A 44 2.366 14.553 -3.326 1.00 0.00 C ATOM 448 C GLY A 44 1.473 13.377 -3.668 1.00 0.00 C ATOM 449 O GLY A 44 1.462 12.371 -2.960 1.00 0.00 O ATOM 0 H GLY A 44 1.824 16.537 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.071 14.720 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.954 14.314 -2.440 1.00 0.00 H new ATOM 453 N LYS A 45 0.721 13.506 -4.755 1.00 0.00 N ATOM 454 CA LYS A 45 -0.184 12.449 -5.192 1.00 0.00 C ATOM 455 C LYS A 45 0.550 11.393 -6.021 1.00 0.00 C ATOM 456 O LYS A 45 0.370 10.195 -5.803 1.00 0.00 O ATOM 457 CB LYS A 45 -1.341 13.039 -6.000 1.00 0.00 C ATOM 458 CG LYS A 45 -2.485 13.551 -5.137 1.00 0.00 C ATOM 459 CD LYS A 45 -3.241 12.410 -4.479 1.00 0.00 C ATOM 460 CE LYS A 45 -3.895 12.851 -3.179 1.00 0.00 C ATOM 461 NZ LYS A 45 -5.034 13.780 -3.417 1.00 0.00 N ATOM 0 H LYS A 45 0.720 14.334 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.582 11.963 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.965 13.858 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.723 12.279 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.093 14.219 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.170 14.137 -5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.003 12.036 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.557 11.585 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.249 11.975 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.153 13.340 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.452 14.057 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.693 14.628 -3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.754 13.305 -3.998 1.00 0.00 H new ATOM 475 N PRO A 46 1.389 11.817 -6.987 1.00 0.00 N ATOM 476 CA PRO A 46 2.137 10.887 -7.840 1.00 0.00 C ATOM 477 C PRO A 46 2.937 9.871 -7.032 1.00 0.00 C ATOM 478 O PRO A 46 2.987 8.691 -7.378 1.00 0.00 O ATOM 479 CB PRO A 46 3.079 11.801 -8.627 1.00 0.00 C ATOM 480 CG PRO A 46 2.402 13.127 -8.637 1.00 0.00 C ATOM 481 CD PRO A 46 1.667 13.225 -7.329 1.00 0.00 C ATOM 0 HA PRO A 46 1.474 10.293 -8.468 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.059 11.861 -8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.236 11.429 -9.640 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.127 13.935 -8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.714 13.208 -9.479 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.271 13.713 -6.564 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.749 13.804 -7.427 1.00 0.00 H new ATOM 489 N GLU A 47 3.562 10.333 -5.956 1.00 0.00 N ATOM 490 CA GLU A 47 4.358 9.456 -5.105 1.00 0.00 C ATOM 491 C GLU A 47 3.471 8.453 -4.376 1.00 0.00 C ATOM 492 O GLU A 47 3.831 7.284 -4.225 1.00 0.00 O ATOM 493 CB GLU A 47 5.161 10.278 -4.094 1.00 0.00 C ATOM 494 CG GLU A 47 4.349 11.353 -3.393 1.00 0.00 C ATOM 495 CD GLU A 47 5.055 11.919 -2.176 1.00 0.00 C ATOM 496 OE1 GLU A 47 4.987 11.284 -1.103 1.00 0.00 O ATOM 497 OE2 GLU A 47 5.678 12.994 -2.299 1.00 0.00 O ATOM 0 H GLU A 47 3.534 11.306 -5.652 1.00 0.00 H new ATOM 0 HA GLU A 47 5.050 8.905 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.580 9.606 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.001 10.747 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.140 12.160 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.388 10.937 -3.090 1.00 0.00 H new ATOM 504 N VAL A 48 2.309 8.915 -3.926 1.00 0.00 N ATOM 505 CA VAL A 48 1.373 8.056 -3.211 1.00 0.00 C ATOM 506 C VAL A 48 0.731 7.040 -4.144 1.00 0.00 C ATOM 507 O VAL A 48 0.813 5.839 -3.913 1.00 0.00 O ATOM 508 CB VAL A 48 0.265 8.878 -2.524 1.00 0.00 C ATOM 509 CG1 VAL A 48 -0.616 7.981 -1.666 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.869 9.998 -1.690 1.00 0.00 C ATOM 0 H VAL A 48 1.994 9.878 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 48 1.950 7.530 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.359 9.327 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.392 8.581 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.080 7.219 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.008 7.500 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.071 10.567 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.519 9.572 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.451 10.658 -2.334 1.00 0.00 H new ATOM 520 N ASN A 49 0.094 7.518 -5.203 1.00 0.00 N ATOM 521 CA ASN A 49 -0.551 6.622 -6.153 1.00 0.00 C ATOM 522 C ASN A 49 0.463 5.671 -6.784 1.00 0.00 C ATOM 523 O ASN A 49 0.109 4.582 -7.226 1.00 0.00 O ATOM 524 CB ASN A 49 -1.284 7.413 -7.240 1.00 0.00 C ATOM 525 CG ASN A 49 -0.433 8.514 -7.838 1.00 0.00 C ATOM 526 OD1 ASN A 49 0.717 8.289 -8.216 1.00 0.00 O ATOM 527 ND2 ASN A 49 -0.996 9.714 -7.929 1.00 0.00 N ATOM 0 H ASN A 49 0.010 8.510 -5.425 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.283 6.029 -5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.597 6.731 -8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.190 7.848 -6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.472 10.494 -8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.952 9.855 -7.603 1.00 0.00 H new ATOM 534 N ARG A 50 1.726 6.089 -6.822 1.00 0.00 N ATOM 535 CA ARG A 50 2.786 5.268 -7.403 1.00 0.00 C ATOM 536 C ARG A 50 3.147 4.096 -6.491 1.00 0.00 C ATOM 537 O ARG A 50 3.318 2.966 -6.954 1.00 0.00 O ATOM 538 CB ARG A 50 4.028 6.123 -7.672 1.00 0.00 C ATOM 539 CG ARG A 50 5.212 5.334 -8.213 1.00 0.00 C ATOM 540 CD ARG A 50 5.268 5.383 -9.731 1.00 0.00 C ATOM 541 NE ARG A 50 5.510 6.737 -10.227 1.00 0.00 N ATOM 542 CZ ARG A 50 5.961 7.010 -11.450 1.00 0.00 C ATOM 543 NH1 ARG A 50 6.219 6.027 -12.303 1.00 0.00 N ATOM 544 NH2 ARG A 50 6.152 8.269 -11.820 1.00 0.00 N ATOM 0 H ARG A 50 2.040 6.989 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 50 2.416 4.862 -8.344 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.770 6.907 -8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.325 6.617 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.137 5.736 -7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.141 4.297 -7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.057 4.720 -10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.330 5.009 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 50 5.322 7.519 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.072 5.057 -12.023 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.564 6.241 -13.239 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.954 9.028 -11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.497 8.479 -12.757 1.00 0.00 H new ATOM 558 N GLN A 51 3.259 4.366 -5.196 1.00 0.00 N ATOM 559 CA GLN A 51 3.598 3.323 -4.235 1.00 0.00 C ATOM 560 C GLN A 51 2.360 2.527 -3.876 1.00 0.00 C ATOM 561 O GLN A 51 2.379 1.298 -3.834 1.00 0.00 O ATOM 562 CB GLN A 51 4.219 3.933 -2.977 1.00 0.00 C ATOM 563 CG GLN A 51 5.718 4.162 -3.088 1.00 0.00 C ATOM 564 CD GLN A 51 6.149 5.498 -2.517 1.00 0.00 C ATOM 565 OE1 GLN A 51 6.683 6.347 -3.229 1.00 0.00 O ATOM 566 NE2 GLN A 51 5.918 5.690 -1.224 1.00 0.00 N ATOM 0 H GLN A 51 3.121 5.291 -4.789 1.00 0.00 H new ATOM 0 HA GLN A 51 4.329 2.654 -4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.729 4.883 -2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.022 3.276 -2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.243 3.362 -2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.013 4.107 -4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.472 4.958 -0.671 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.186 6.570 -0.783 1.00 0.00 H new ATOM 575 N ILE A 52 1.280 3.245 -3.633 1.00 0.00 N ATOM 576 CA ILE A 52 0.014 2.631 -3.293 1.00 0.00 C ATOM 577 C ILE A 52 -0.434 1.674 -4.397 1.00 0.00 C ATOM 578 O ILE A 52 -0.940 0.586 -4.119 1.00 0.00 O ATOM 579 CB ILE A 52 -1.064 3.712 -3.061 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.684 4.578 -1.850 1.00 0.00 C ATOM 581 CG2 ILE A 52 -2.428 3.076 -2.872 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.868 5.164 -1.105 1.00 0.00 C ATOM 0 H ILE A 52 1.257 4.264 -3.666 1.00 0.00 H new ATOM 0 HA ILE A 52 0.147 2.063 -2.372 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.117 4.353 -3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.096 3.975 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.043 5.392 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.173 3.855 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.689 2.504 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.403 2.412 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.511 5.761 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.446 5.796 -1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.500 4.357 -0.734 1.00 0.00 H new ATOM 594 N LYS A 53 -0.246 2.082 -5.652 1.00 0.00 N ATOM 595 CA LYS A 53 -0.635 1.251 -6.788 1.00 0.00 C ATOM 596 C LYS A 53 0.269 0.029 -6.936 1.00 0.00 C ATOM 597 O LYS A 53 -0.224 -1.092 -7.048 1.00 0.00 O ATOM 598 CB LYS A 53 -0.658 2.066 -8.090 1.00 0.00 C ATOM 599 CG LYS A 53 0.716 2.408 -8.649 1.00 0.00 C ATOM 600 CD LYS A 53 1.210 1.340 -9.614 1.00 0.00 C ATOM 601 CE LYS A 53 1.746 1.948 -10.899 1.00 0.00 C ATOM 602 NZ LYS A 53 2.783 2.984 -10.633 1.00 0.00 N ATOM 0 H LYS A 53 0.171 2.978 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.645 0.892 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.213 1.507 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.205 2.992 -7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.672 3.369 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.426 2.515 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.993 0.751 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.395 0.656 -9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.170 1.162 -11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.924 2.393 -11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.398 3.081 -11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.321 3.895 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.355 2.700 -9.812 1.00 0.00 H new ATOM 616 N ASN A 54 1.589 0.230 -6.942 1.00 0.00 N ATOM 617 CA ASN A 54 2.511 -0.893 -7.089 1.00 0.00 C ATOM 618 C ASN A 54 2.327 -1.905 -5.963 1.00 0.00 C ATOM 619 O ASN A 54 2.619 -3.089 -6.129 1.00 0.00 O ATOM 620 CB ASN A 54 3.967 -0.412 -7.164 1.00 0.00 C ATOM 621 CG ASN A 54 4.481 0.177 -5.865 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.052 -0.205 -4.778 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.418 1.113 -5.976 1.00 0.00 N ATOM 0 H ASN A 54 2.035 1.143 -6.849 1.00 0.00 H new ATOM 0 HA ASN A 54 2.277 -1.391 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.603 -1.250 -7.450 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.053 0.337 -7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.810 1.544 -5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.745 1.400 -6.898 1.00 0.00 H new ATOM 630 N LEU A 55 1.825 -1.438 -4.822 1.00 0.00 N ATOM 631 CA LEU A 55 1.588 -2.319 -3.688 1.00 0.00 C ATOM 632 C LEU A 55 0.287 -3.080 -3.881 1.00 0.00 C ATOM 633 O LEU A 55 0.227 -4.291 -3.662 1.00 0.00 O ATOM 634 CB LEU A 55 1.548 -1.524 -2.382 1.00 0.00 C ATOM 635 CG LEU A 55 2.911 -1.065 -1.860 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.739 -0.023 -0.765 1.00 0.00 C ATOM 637 CD2 LEU A 55 3.714 -2.251 -1.349 1.00 0.00 C ATOM 0 H LEU A 55 1.577 -0.462 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 55 2.410 -3.032 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.918 -0.647 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.070 -2.136 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 55 3.460 -0.609 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.719 0.292 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.204 0.839 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.171 -0.453 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.680 -1.905 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.170 -2.736 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.868 -2.963 -2.160 1.00 0.00 H new ATOM 649 N GLU A 56 -0.749 -2.373 -4.323 1.00 0.00 N ATOM 650 CA GLU A 56 -2.037 -3.002 -4.578 1.00 0.00 C ATOM 651 C GLU A 56 -1.849 -4.135 -5.577 1.00 0.00 C ATOM 652 O GLU A 56 -2.500 -5.175 -5.496 1.00 0.00 O ATOM 653 CB GLU A 56 -3.039 -1.977 -5.117 1.00 0.00 C ATOM 654 CG GLU A 56 -4.333 -1.918 -4.324 1.00 0.00 C ATOM 655 CD GLU A 56 -5.189 -3.156 -4.511 1.00 0.00 C ATOM 656 OE1 GLU A 56 -4.737 -4.253 -4.118 1.00 0.00 O ATOM 657 OE2 GLU A 56 -6.309 -3.029 -5.048 1.00 0.00 O ATOM 0 H GLU A 56 -0.721 -1.371 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.433 -3.402 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.575 -0.991 -5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.269 -2.217 -6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.101 -1.798 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.901 -1.039 -4.628 1.00 0.00 H new ATOM 664 N ILE A 57 -0.922 -3.919 -6.505 1.00 0.00 N ATOM 665 CA ILE A 57 -0.595 -4.905 -7.519 1.00 0.00 C ATOM 666 C ILE A 57 0.147 -6.076 -6.890 1.00 0.00 C ATOM 667 O ILE A 57 -0.139 -7.238 -7.184 1.00 0.00 O ATOM 668 CB ILE A 57 0.278 -4.282 -8.621 1.00 0.00 C ATOM 669 CG1 ILE A 57 -0.399 -3.037 -9.182 1.00 0.00 C ATOM 670 CG2 ILE A 57 0.556 -5.286 -9.726 1.00 0.00 C ATOM 671 CD1 ILE A 57 0.575 -2.004 -9.694 1.00 0.00 C ATOM 0 H ILE A 57 -0.380 -3.057 -6.572 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.526 -5.259 -7.962 1.00 0.00 H new ATOM 0 HB ILE A 57 1.234 -3.994 -8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.066 -3.329 -9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.018 -2.588 -8.405 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.175 -4.821 -10.493 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.079 -6.148 -9.311 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.386 -5.611 -10.168 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.025 -1.145 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.226 -1.684 -8.881 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.178 -2.436 -10.493 1.00 0.00 H new ATOM 683 N SER A 58 1.096 -5.763 -6.010 1.00 0.00 N ATOM 684 CA SER A 58 1.870 -6.797 -5.329 1.00 0.00 C ATOM 685 C SER A 58 0.944 -7.725 -4.549 1.00 0.00 C ATOM 686 O SER A 58 1.053 -8.950 -4.636 1.00 0.00 O ATOM 687 CB SER A 58 2.893 -6.163 -4.385 1.00 0.00 C ATOM 688 OG SER A 58 4.149 -6.006 -5.024 1.00 0.00 O ATOM 0 H SER A 58 1.346 -4.808 -5.753 1.00 0.00 H new ATOM 0 HA SER A 58 2.402 -7.381 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.529 -5.192 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.008 -6.785 -3.498 1.00 0.00 H new ATOM 0 HG SER A 58 4.785 -5.597 -4.400 1.00 0.00 H new ATOM 694 N ILE A 59 0.025 -7.129 -3.796 1.00 0.00 N ATOM 695 CA ILE A 59 -0.934 -7.893 -3.007 1.00 0.00 C ATOM 696 C ILE A 59 -1.757 -8.814 -3.902 1.00 0.00 C ATOM 697 O ILE A 59 -1.839 -10.021 -3.666 1.00 0.00 O ATOM 698 CB ILE A 59 -1.887 -6.956 -2.232 1.00 0.00 C ATOM 699 CG1 ILE A 59 -1.085 -5.972 -1.378 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.846 -7.760 -1.365 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.748 -4.620 -1.234 1.00 0.00 C ATOM 0 H ILE A 59 -0.076 -6.117 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.367 -8.492 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.476 -6.390 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.934 -6.401 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.098 -5.839 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.508 -7.080 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.439 -8.422 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.278 -8.354 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.125 -3.973 -0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.874 -4.170 -2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.723 -4.741 -0.763 1.00 0.00 H new ATOM 713 N ASP A 60 -2.359 -8.233 -4.935 1.00 0.00 N ATOM 714 CA ASP A 60 -3.170 -8.996 -5.872 1.00 0.00 C ATOM 715 C ASP A 60 -2.339 -10.088 -6.536 1.00 0.00 C ATOM 716 O ASP A 60 -2.843 -11.172 -6.831 1.00 0.00 O ATOM 717 CB ASP A 60 -3.766 -8.073 -6.937 1.00 0.00 C ATOM 718 CG ASP A 60 -4.837 -7.159 -6.376 1.00 0.00 C ATOM 719 OD1 ASP A 60 -4.853 -6.946 -5.145 1.00 0.00 O ATOM 720 OD2 ASP A 60 -5.662 -6.655 -7.167 1.00 0.00 O ATOM 0 H ASP A 60 -2.299 -7.236 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.982 -9.464 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.972 -7.470 -7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.191 -8.676 -7.740 1.00 0.00 H new ATOM 725 N ALA A 61 -1.057 -9.802 -6.761 1.00 0.00 N ATOM 726 CA ALA A 61 -0.162 -10.770 -7.381 1.00 0.00 C ATOM 727 C ALA A 61 -0.125 -12.055 -6.564 1.00 0.00 C ATOM 728 O ALA A 61 -0.315 -13.151 -7.096 1.00 0.00 O ATOM 729 CB ALA A 61 1.236 -10.187 -7.524 1.00 0.00 C ATOM 0 H ALA A 61 -0.619 -8.912 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.539 -11.004 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.892 -10.923 -7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.196 -9.293 -8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.624 -9.926 -6.539 1.00 0.00 H new ATOM 735 N LEU A 62 0.100 -11.912 -5.261 1.00 0.00 N ATOM 736 CA LEU A 62 0.139 -13.059 -4.371 1.00 0.00 C ATOM 737 C LEU A 62 -1.157 -13.848 -4.470 1.00 0.00 C ATOM 738 O LEU A 62 -1.139 -15.045 -4.745 1.00 0.00 O ATOM 739 CB LEU A 62 0.361 -12.607 -2.927 1.00 0.00 C ATOM 740 CG LEU A 62 1.792 -12.177 -2.611 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.869 -10.672 -2.399 1.00 0.00 C ATOM 742 CD2 LEU A 62 2.318 -12.918 -1.391 1.00 0.00 C ATOM 0 H LEU A 62 0.257 -11.014 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 62 0.968 -13.699 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.311 -11.776 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.084 -13.422 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 62 2.420 -12.433 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.897 -10.388 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.540 -10.160 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.225 -10.388 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.339 -12.597 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.686 -12.698 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.307 -13.991 -1.584 1.00 0.00 H new ATOM 754 N MET A 63 -2.280 -13.160 -4.256 1.00 0.00 N ATOM 755 CA MET A 63 -3.600 -13.790 -4.316 1.00 0.00 C ATOM 756 C MET A 63 -3.722 -14.699 -5.534 1.00 0.00 C ATOM 757 O MET A 63 -3.990 -15.893 -5.402 1.00 0.00 O ATOM 758 CB MET A 63 -4.693 -12.721 -4.363 1.00 0.00 C ATOM 759 CG MET A 63 -6.002 -13.163 -3.731 1.00 0.00 C ATOM 760 SD MET A 63 -6.506 -12.111 -2.355 1.00 0.00 S ATOM 761 CE MET A 63 -4.972 -11.994 -1.440 1.00 0.00 C ATOM 0 H MET A 63 -2.301 -12.164 -4.039 1.00 0.00 H new ATOM 0 HA MET A 63 -3.722 -14.397 -3.419 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.337 -11.826 -3.853 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.875 -12.445 -5.402 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.785 -13.161 -4.489 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.902 -14.190 -3.379 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.186 -11.977 -0.371 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.344 -12.855 -1.671 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.450 -11.079 -1.720 1.00 0.00 H new ATOM 771 N ALA A 64 -3.515 -14.136 -6.717 1.00 0.00 N ATOM 772 CA ALA A 64 -3.593 -14.910 -7.945 1.00 0.00 C ATOM 773 C ALA A 64 -2.580 -16.050 -7.929 1.00 0.00 C ATOM 774 O ALA A 64 -2.760 -17.066 -8.599 1.00 0.00 O ATOM 775 CB ALA A 64 -3.367 -14.013 -9.153 1.00 0.00 C ATOM 0 H ALA A 64 -3.293 -13.150 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.591 -15.342 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.429 -14.608 -10.064 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.129 -13.234 -9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.381 -13.553 -9.086 1.00 0.00 H new ATOM 781 N LYS A 65 -1.514 -15.876 -7.151 1.00 0.00 N ATOM 782 CA LYS A 65 -0.474 -16.890 -7.036 1.00 0.00 C ATOM 783 C LYS A 65 -0.881 -17.963 -6.035 1.00 0.00 C ATOM 784 O LYS A 65 -0.478 -19.118 -6.148 1.00 0.00 O ATOM 785 CB LYS A 65 0.850 -16.250 -6.613 1.00 0.00 C ATOM 786 CG LYS A 65 1.759 -15.908 -7.781 1.00 0.00 C ATOM 787 CD LYS A 65 2.538 -14.628 -7.526 1.00 0.00 C ATOM 788 CE LYS A 65 3.526 -14.796 -6.382 1.00 0.00 C ATOM 789 NZ LYS A 65 4.269 -13.536 -6.100 1.00 0.00 N ATOM 0 H LYS A 65 -1.350 -15.040 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.342 -17.357 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.641 -15.342 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.375 -16.930 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.454 -16.729 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.163 -15.798 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.073 -14.340 -8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.845 -13.819 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.993 -15.111 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.234 -15.588 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.490 -13.483 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.153 -13.524 -6.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.684 -12.720 -6.370 1.00 0.00 H new ATOM 803 N ILE A 66 -1.679 -17.565 -5.051 1.00 0.00 N ATOM 804 CA ILE A 66 -2.135 -18.488 -4.019 1.00 0.00 C ATOM 805 C ILE A 66 -3.175 -19.455 -4.566 1.00 0.00 C ATOM 806 O ILE A 66 -3.234 -20.616 -4.160 1.00 0.00 O ATOM 807 CB ILE A 66 -2.739 -17.757 -2.802 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.137 -16.365 -2.633 1.00 0.00 C ATOM 809 CG2 ILE A 66 -2.528 -18.574 -1.544 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.631 -16.359 -2.463 1.00 0.00 C ATOM 0 H ILE A 66 -2.023 -16.611 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.250 -19.036 -3.695 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.808 -17.640 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.396 -15.761 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.592 -15.887 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.958 -18.048 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.013 -19.544 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.460 -18.719 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.282 -15.333 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.363 -16.934 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.164 -16.806 -3.341 1.00 0.00 H new ATOM 822 N LYS A 67 -4.007 -18.963 -5.478 1.00 0.00 N ATOM 823 CA LYS A 67 -5.062 -19.776 -6.069 1.00 0.00 C ATOM 824 C LYS A 67 -4.615 -20.444 -7.371 1.00 0.00 C ATOM 825 O LYS A 67 -5.401 -21.145 -8.010 1.00 0.00 O ATOM 826 CB LYS A 67 -6.303 -18.918 -6.327 1.00 0.00 C ATOM 827 CG LYS A 67 -7.325 -18.973 -5.203 1.00 0.00 C ATOM 828 CD LYS A 67 -7.308 -17.705 -4.367 1.00 0.00 C ATOM 829 CE LYS A 67 -8.655 -17.453 -3.707 1.00 0.00 C ATOM 830 NZ LYS A 67 -8.836 -16.022 -3.339 1.00 0.00 N ATOM 0 H LYS A 67 -3.970 -18.004 -5.824 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.300 -20.567 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.995 -17.883 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.775 -19.246 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.320 -19.119 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.119 -19.832 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.536 -17.783 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.047 -16.856 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.453 -17.757 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.742 -18.071 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.272 -15.958 -2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.911 -15.547 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.452 -15.559 -4.038 1.00 0.00 H new ATOM 844 N SER A 68 -3.362 -20.230 -7.771 1.00 0.00 N ATOM 845 CA SER A 68 -2.858 -20.827 -9.006 1.00 0.00 C ATOM 846 C SER A 68 -1.460 -21.407 -8.829 1.00 0.00 C ATOM 847 O SER A 68 -0.735 -21.608 -9.803 1.00 0.00 O ATOM 848 CB SER A 68 -2.856 -19.793 -10.134 1.00 0.00 C ATOM 849 OG SER A 68 -3.977 -18.933 -10.040 1.00 0.00 O ATOM 0 H SER A 68 -2.686 -19.656 -7.266 1.00 0.00 H new ATOM 0 HA SER A 68 -3.527 -21.647 -9.267 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.939 -19.206 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.864 -20.302 -11.098 1.00 0.00 H new ATOM 0 HG SER A 68 -3.742 -18.146 -9.506 1.00 0.00 H new ATOM 855 N THR A 69 -1.092 -21.689 -7.586 1.00 0.00 N ATOM 856 CA THR A 69 0.219 -22.263 -7.283 1.00 0.00 C ATOM 857 C THR A 69 0.209 -22.932 -5.911 1.00 0.00 C ATOM 858 O THR A 69 -0.846 -23.123 -5.308 1.00 0.00 O ATOM 859 CB THR A 69 1.325 -21.196 -7.329 1.00 0.00 C ATOM 860 OG1 THR A 69 1.464 -20.559 -6.071 1.00 0.00 O ATOM 861 CG2 THR A 69 1.102 -20.114 -8.366 1.00 0.00 C ATOM 0 H THR A 69 -1.681 -21.531 -6.769 1.00 0.00 H new ATOM 0 HA THR A 69 0.431 -23.011 -8.047 1.00 0.00 H new ATOM 0 HB THR A 69 2.225 -21.746 -7.602 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.599 -20.192 -5.793 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.927 -19.402 -8.332 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.052 -20.565 -9.357 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.167 -19.595 -8.155 1.00 0.00 H new ATOM 869 N MET A 70 1.396 -23.277 -5.422 1.00 0.00 N ATOM 870 CA MET A 70 1.532 -23.916 -4.119 1.00 0.00 C ATOM 871 C MET A 70 2.600 -23.212 -3.289 1.00 0.00 C ATOM 872 O MET A 70 3.350 -23.851 -2.551 1.00 0.00 O ATOM 873 CB MET A 70 1.888 -25.395 -4.285 1.00 0.00 C ATOM 874 CG MET A 70 1.599 -26.231 -3.049 1.00 0.00 C ATOM 875 SD MET A 70 -0.066 -26.921 -3.050 1.00 0.00 S ATOM 876 CE MET A 70 -0.224 -27.430 -1.341 1.00 0.00 C ATOM 0 H MET A 70 2.279 -23.124 -5.910 1.00 0.00 H new ATOM 0 HA MET A 70 0.577 -23.840 -3.598 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.330 -25.802 -5.128 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.946 -25.480 -4.532 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.324 -27.042 -2.986 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.732 -25.615 -2.160 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.205 -27.878 -1.184 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.550 -28.161 -1.106 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.113 -26.562 -0.691 1.00 0.00 H new ATOM 886 N MET A 71 2.659 -21.890 -3.417 1.00 0.00 N ATOM 887 CA MET A 71 3.635 -21.091 -2.684 1.00 0.00 C ATOM 888 C MET A 71 3.512 -21.321 -1.181 1.00 0.00 C ATOM 889 O MET A 71 2.410 -21.420 -0.646 1.00 0.00 O ATOM 890 CB MET A 71 3.448 -19.606 -3.001 1.00 0.00 C ATOM 891 CG MET A 71 4.288 -19.123 -4.173 1.00 0.00 C ATOM 892 SD MET A 71 4.180 -17.340 -4.417 1.00 0.00 S ATOM 893 CE MET A 71 4.817 -16.745 -2.853 1.00 0.00 C ATOM 0 H MET A 71 2.042 -21.349 -4.022 1.00 0.00 H new ATOM 0 HA MET A 71 4.631 -21.402 -2.999 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.396 -19.419 -3.217 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.701 -19.020 -2.118 1.00 0.00 H new ATOM 0 HG2 MET A 71 5.329 -19.401 -4.008 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.963 -19.630 -5.081 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.047 -15.683 -2.934 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.069 -16.895 -2.075 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.723 -17.294 -2.597 1.00 0.00 H new ATOM 903 N THR A 72 4.654 -21.402 -0.509 1.00 0.00 N ATOM 904 CA THR A 72 4.679 -21.619 0.933 1.00 0.00 C ATOM 905 C THR A 72 4.284 -20.349 1.676 1.00 0.00 C ATOM 906 O THR A 72 4.619 -19.242 1.255 1.00 0.00 O ATOM 907 CB THR A 72 6.071 -22.069 1.379 1.00 0.00 C ATOM 908 OG1 THR A 72 6.612 -23.004 0.463 1.00 0.00 O ATOM 909 CG2 THR A 72 6.083 -22.706 2.750 1.00 0.00 C ATOM 0 H THR A 72 5.575 -21.321 -0.939 1.00 0.00 H new ATOM 0 HA THR A 72 3.958 -22.401 1.171 1.00 0.00 H new ATOM 0 HB THR A 72 6.672 -21.160 1.415 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.503 -23.279 0.764 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.101 -23.002 3.005 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.718 -21.991 3.487 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.439 -23.585 2.748 1.00 0.00 H new ATOM 917 N ARG A 73 3.573 -20.513 2.788 1.00 0.00 N ATOM 918 CA ARG A 73 3.140 -19.373 3.589 1.00 0.00 C ATOM 919 C ARG A 73 4.333 -18.508 3.979 1.00 0.00 C ATOM 920 O ARG A 73 4.208 -17.293 4.132 1.00 0.00 O ATOM 921 CB ARG A 73 2.408 -19.851 4.844 1.00 0.00 C ATOM 922 CG ARG A 73 1.177 -20.692 4.548 1.00 0.00 C ATOM 923 CD ARG A 73 0.158 -20.607 5.675 1.00 0.00 C ATOM 924 NE ARG A 73 -0.320 -21.926 6.082 1.00 0.00 N ATOM 925 CZ ARG A 73 -1.378 -22.122 6.867 1.00 0.00 C ATOM 926 NH1 ARG A 73 -2.069 -21.088 7.331 1.00 0.00 N ATOM 927 NH2 ARG A 73 -1.746 -23.354 7.189 1.00 0.00 N ATOM 0 H ARG A 73 3.286 -21.421 3.154 1.00 0.00 H new ATOM 0 HA ARG A 73 2.456 -18.774 2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.097 -20.433 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.112 -18.984 5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.720 -20.355 3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.472 -21.731 4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.606 -20.104 6.532 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.687 -19.998 5.354 1.00 0.00 H new ATOM 0 HE ARG A 73 0.186 -22.745 5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.791 -20.138 7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.878 -21.244 7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.219 -24.153 6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.556 -23.504 7.790 1.00 0.00 H new ATOM 941 N GLU A 74 5.495 -19.142 4.128 1.00 0.00 N ATOM 942 CA GLU A 74 6.713 -18.427 4.486 1.00 0.00 C ATOM 943 C GLU A 74 7.010 -17.343 3.457 1.00 0.00 C ATOM 944 O GLU A 74 7.344 -16.210 3.807 1.00 0.00 O ATOM 945 CB GLU A 74 7.893 -19.397 4.585 1.00 0.00 C ATOM 946 CG GLU A 74 8.277 -19.744 6.014 1.00 0.00 C ATOM 947 CD GLU A 74 8.294 -21.239 6.267 1.00 0.00 C ATOM 948 OE1 GLU A 74 9.198 -21.921 5.743 1.00 0.00 O ATOM 949 OE2 GLU A 74 7.402 -21.728 6.994 1.00 0.00 O ATOM 0 H GLU A 74 5.616 -20.147 4.006 1.00 0.00 H new ATOM 0 HA GLU A 74 6.566 -17.958 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.644 -20.314 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.755 -18.960 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.262 -19.331 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.574 -19.271 6.700 1.00 0.00 H new ATOM 956 N GLN A 75 6.870 -17.697 2.182 1.00 0.00 N ATOM 957 CA GLN A 75 7.108 -16.754 1.100 1.00 0.00 C ATOM 958 C GLN A 75 6.144 -15.578 1.211 1.00 0.00 C ATOM 959 O GLN A 75 6.503 -14.435 0.928 1.00 0.00 O ATOM 960 CB GLN A 75 6.943 -17.446 -0.256 1.00 0.00 C ATOM 961 CG GLN A 75 8.032 -17.088 -1.255 1.00 0.00 C ATOM 962 CD GLN A 75 8.762 -18.308 -1.786 1.00 0.00 C ATOM 963 OE1 GLN A 75 9.680 -18.823 -1.147 1.00 0.00 O ATOM 964 NE2 GLN A 75 8.356 -18.775 -2.961 1.00 0.00 N ATOM 0 H GLN A 75 6.593 -18.630 1.876 1.00 0.00 H new ATOM 0 HA GLN A 75 8.130 -16.382 1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.939 -18.526 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.973 -17.179 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.590 -16.543 -2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.749 -16.418 -0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.591 -18.316 -3.455 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.809 -19.593 -3.369 1.00 0.00 H new ATOM 973 N ILE A 76 4.921 -15.873 1.638 1.00 0.00 N ATOM 974 CA ILE A 76 3.899 -14.848 1.807 1.00 0.00 C ATOM 975 C ILE A 76 4.226 -13.966 3.004 1.00 0.00 C ATOM 976 O ILE A 76 3.951 -12.765 3.000 1.00 0.00 O ATOM 977 CB ILE A 76 2.503 -15.465 2.006 1.00 0.00 C ATOM 978 CG1 ILE A 76 2.219 -16.511 0.923 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.437 -14.380 1.996 1.00 0.00 C ATOM 980 CD1 ILE A 76 2.101 -15.929 -0.468 1.00 0.00 C ATOM 0 H ILE A 76 4.613 -16.816 1.874 1.00 0.00 H new ATOM 0 HA ILE A 76 3.889 -14.250 0.896 1.00 0.00 H new ATOM 0 HB ILE A 76 2.479 -15.962 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.016 -17.254 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.294 -17.033 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.456 -14.833 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.630 -13.673 2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.460 -13.856 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.900 -16.728 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.285 -15.207 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.033 -15.431 -0.734 1.00 0.00 H new ATOM 992 N GLN A 77 4.824 -14.570 4.027 1.00 0.00 N ATOM 993 CA GLN A 77 5.198 -13.845 5.234 1.00 0.00 C ATOM 994 C GLN A 77 6.169 -12.718 4.899 1.00 0.00 C ATOM 995 O GLN A 77 5.949 -11.566 5.271 1.00 0.00 O ATOM 996 CB GLN A 77 5.831 -14.797 6.251 1.00 0.00 C ATOM 997 CG GLN A 77 5.544 -14.421 7.696 1.00 0.00 C ATOM 998 CD GLN A 77 4.570 -15.373 8.363 1.00 0.00 C ATOM 999 OE1 GLN A 77 4.918 -16.508 8.692 1.00 0.00 O ATOM 1000 NE2 GLN A 77 3.341 -14.914 8.569 1.00 0.00 N ATOM 0 H GLN A 77 5.060 -15.562 4.042 1.00 0.00 H new ATOM 0 HA GLN A 77 4.297 -13.413 5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.465 -15.807 6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.910 -14.816 6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.478 -14.410 8.257 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.140 -13.409 7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.095 -13.967 8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.643 -15.508 9.016 1.00 0.00 H new ATOM 1009 N LYS A 78 7.240 -13.059 4.188 1.00 0.00 N ATOM 1010 CA LYS A 78 8.235 -12.067 3.800 1.00 0.00 C ATOM 1011 C LYS A 78 7.606 -11.009 2.908 1.00 0.00 C ATOM 1012 O LYS A 78 7.796 -9.813 3.125 1.00 0.00 O ATOM 1013 CB LYS A 78 9.411 -12.733 3.084 1.00 0.00 C ATOM 1014 CG LYS A 78 10.561 -13.095 4.011 1.00 0.00 C ATOM 1015 CD LYS A 78 10.505 -14.556 4.426 1.00 0.00 C ATOM 1016 CE LYS A 78 11.660 -15.349 3.837 1.00 0.00 C ATOM 1017 NZ LYS A 78 12.973 -14.904 4.379 1.00 0.00 N ATOM 0 H LYS A 78 7.439 -14.008 3.871 1.00 0.00 H new ATOM 0 HA LYS A 78 8.610 -11.586 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.058 -13.636 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.779 -12.063 2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.509 -12.894 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.527 -12.462 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.531 -14.627 5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.560 -14.991 4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.519 -16.408 4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.659 -15.240 2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.668 -15.672 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.301 -14.070 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.869 -14.659 5.384 1.00 0.00 H new ATOM 1031 N GLU A 79 6.834 -11.449 1.919 1.00 0.00 N ATOM 1032 CA GLU A 79 6.161 -10.514 1.030 1.00 0.00 C ATOM 1033 C GLU A 79 5.305 -9.574 1.859 1.00 0.00 C ATOM 1034 O GLU A 79 5.172 -8.390 1.548 1.00 0.00 O ATOM 1035 CB GLU A 79 5.302 -11.258 0.004 1.00 0.00 C ATOM 1036 CG GLU A 79 6.101 -11.836 -1.154 1.00 0.00 C ATOM 1037 CD GLU A 79 5.408 -11.649 -2.489 1.00 0.00 C ATOM 1038 OE1 GLU A 79 4.960 -10.519 -2.773 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.313 -12.635 -3.251 1.00 0.00 O ATOM 0 H GLU A 79 6.662 -12.434 1.716 1.00 0.00 H new ATOM 0 HA GLU A 79 6.908 -9.940 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.769 -12.066 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.549 -10.576 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.081 -11.361 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.268 -12.899 -0.981 1.00 0.00 H new ATOM 1046 N TYR A 80 4.761 -10.106 2.951 1.00 0.00 N ATOM 1047 CA TYR A 80 3.962 -9.311 3.861 1.00 0.00 C ATOM 1048 C TYR A 80 4.850 -8.234 4.465 1.00 0.00 C ATOM 1049 O TYR A 80 4.426 -7.095 4.657 1.00 0.00 O ATOM 1050 CB TYR A 80 3.364 -10.187 4.964 1.00 0.00 C ATOM 1051 CG TYR A 80 2.153 -9.580 5.634 1.00 0.00 C ATOM 1052 CD1 TYR A 80 0.993 -9.322 4.913 1.00 0.00 C ATOM 1053 CD2 TYR A 80 2.168 -9.266 6.986 1.00 0.00 C ATOM 1054 CE1 TYR A 80 -0.117 -8.766 5.522 1.00 0.00 C ATOM 1055 CE2 TYR A 80 1.062 -8.712 7.603 1.00 0.00 C ATOM 1056 CZ TYR A 80 -0.077 -8.464 6.866 1.00 0.00 C ATOM 1057 OH TYR A 80 -1.181 -7.911 7.476 1.00 0.00 O ATOM 0 H TYR A 80 4.863 -11.084 3.221 1.00 0.00 H new ATOM 0 HA TYR A 80 3.136 -8.853 3.318 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.087 -11.152 4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.128 -10.378 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.958 -9.560 3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.059 -9.458 7.566 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.010 -8.570 4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.090 -8.475 8.656 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.989 -7.760 8.425 1.00 0.00 H new ATOM 1067 N ASP A 81 6.102 -8.606 4.736 1.00 0.00 N ATOM 1068 CA ASP A 81 7.067 -7.671 5.287 1.00 0.00 C ATOM 1069 C ASP A 81 7.435 -6.632 4.238 1.00 0.00 C ATOM 1070 O ASP A 81 7.631 -5.459 4.554 1.00 0.00 O ATOM 1071 CB ASP A 81 8.320 -8.407 5.767 1.00 0.00 C ATOM 1072 CG ASP A 81 9.190 -7.544 6.659 1.00 0.00 C ATOM 1073 OD1 ASP A 81 8.633 -6.789 7.482 1.00 0.00 O ATOM 1074 OD2 ASP A 81 10.430 -7.625 6.535 1.00 0.00 O ATOM 0 H ASP A 81 6.465 -9.547 4.581 1.00 0.00 H new ATOM 0 HA ASP A 81 6.617 -7.169 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.025 -9.305 6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.900 -8.733 4.904 1.00 0.00 H new ATOM 1079 N ALA A 82 7.508 -7.065 2.978 1.00 0.00 N ATOM 1080 CA ALA A 82 7.829 -6.154 1.888 1.00 0.00 C ATOM 1081 C ALA A 82 6.791 -5.044 1.824 1.00 0.00 C ATOM 1082 O ALA A 82 7.109 -3.891 1.531 1.00 0.00 O ATOM 1083 CB ALA A 82 7.894 -6.906 0.568 1.00 0.00 C ATOM 0 H ALA A 82 7.350 -8.032 2.693 1.00 0.00 H new ATOM 0 HA ALA A 82 8.807 -5.710 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.135 -6.210 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.664 -7.675 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.930 -7.372 0.367 1.00 0.00 H new ATOM 1089 N LEU A 83 5.548 -5.406 2.125 1.00 0.00 N ATOM 1090 CA LEU A 83 4.452 -4.448 2.128 1.00 0.00 C ATOM 1091 C LEU A 83 4.506 -3.596 3.390 1.00 0.00 C ATOM 1092 O LEU A 83 4.125 -2.427 3.377 1.00 0.00 O ATOM 1093 CB LEU A 83 3.107 -5.175 2.044 1.00 0.00 C ATOM 1094 CG LEU A 83 2.780 -5.776 0.674 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.281 -7.205 0.824 1.00 0.00 C ATOM 1096 CD2 LEU A 83 1.747 -4.924 -0.050 1.00 0.00 C ATOM 0 H LEU A 83 5.276 -6.358 2.370 1.00 0.00 H new ATOM 0 HA LEU A 83 4.554 -3.800 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.096 -5.973 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.316 -4.476 2.316 1.00 0.00 H new ATOM 0 HG LEU A 83 3.693 -5.791 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.054 -7.616 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.051 -7.811 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.380 -7.213 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.527 -5.366 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.834 -4.878 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.140 -3.917 -0.190 1.00 0.00 H new ATOM 1108 N VAL A 84 4.994 -4.190 4.478 1.00 0.00 N ATOM 1109 CA VAL A 84 5.109 -3.481 5.744 1.00 0.00 C ATOM 1110 C VAL A 84 6.222 -2.443 5.677 1.00 0.00 C ATOM 1111 O VAL A 84 6.118 -1.367 6.265 1.00 0.00 O ATOM 1112 CB VAL A 84 5.389 -4.448 6.911 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.395 -3.702 8.237 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.368 -5.577 6.930 1.00 0.00 C ATOM 0 H VAL A 84 5.314 -5.158 4.505 1.00 0.00 H new ATOM 0 HA VAL A 84 4.155 -2.985 5.923 1.00 0.00 H new ATOM 0 HB VAL A 84 6.376 -4.886 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.594 -4.403 9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.171 -2.936 8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.424 -3.232 8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.583 -6.248 7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.368 -5.161 7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.421 -6.131 5.993 1.00 0.00 H new ATOM 1124 N LYS A 85 7.285 -2.770 4.948 1.00 0.00 N ATOM 1125 CA LYS A 85 8.414 -1.864 4.797 1.00 0.00 C ATOM 1126 C LYS A 85 8.042 -0.688 3.900 1.00 0.00 C ATOM 1127 O LYS A 85 8.305 0.469 4.229 1.00 0.00 O ATOM 1128 CB LYS A 85 9.620 -2.605 4.217 1.00 0.00 C ATOM 1129 CG LYS A 85 10.951 -2.141 4.784 1.00 0.00 C ATOM 1130 CD LYS A 85 11.280 -0.721 4.351 1.00 0.00 C ATOM 1131 CE LYS A 85 11.540 -0.638 2.854 1.00 0.00 C ATOM 1132 NZ LYS A 85 12.972 -0.362 2.555 1.00 0.00 N ATOM 0 H LYS A 85 7.386 -3.656 4.453 1.00 0.00 H new ATOM 0 HA LYS A 85 8.678 -1.481 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.506 -3.672 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.630 -2.474 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.921 -2.192 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.742 -2.815 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.455 -0.059 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.157 -0.369 4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.244 -1.575 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.921 0.147 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.108 -0.313 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.248 0.544 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.562 -1.124 2.946 1.00 0.00 H new ATOM 1146 N SER A 86 7.423 -0.997 2.765 1.00 0.00 N ATOM 1147 CA SER A 86 7.007 0.031 1.820 1.00 0.00 C ATOM 1148 C SER A 86 5.852 0.849 2.387 1.00 0.00 C ATOM 1149 O SER A 86 5.773 2.061 2.180 1.00 0.00 O ATOM 1150 CB SER A 86 6.592 -0.605 0.492 1.00 0.00 C ATOM 1151 OG SER A 86 7.692 -0.685 -0.400 1.00 0.00 O ATOM 0 H SER A 86 7.199 -1.950 2.478 1.00 0.00 H new ATOM 0 HA SER A 86 7.853 0.696 1.647 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.192 -1.603 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.793 -0.019 0.038 1.00 0.00 H new ATOM 0 HG SER A 86 7.402 -1.096 -1.241 1.00 0.00 H new ATOM 1157 N SER A 87 4.960 0.178 3.109 1.00 0.00 N ATOM 1158 CA SER A 87 3.811 0.843 3.711 1.00 0.00 C ATOM 1159 C SER A 87 4.261 1.842 4.771 1.00 0.00 C ATOM 1160 O SER A 87 3.849 3.003 4.757 1.00 0.00 O ATOM 1161 CB SER A 87 2.867 -0.188 4.332 1.00 0.00 C ATOM 1162 OG SER A 87 2.127 -0.868 3.334 1.00 0.00 O ATOM 0 H SER A 87 5.011 -0.824 3.291 1.00 0.00 H new ATOM 0 HA SER A 87 3.280 1.384 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.442 -0.907 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.184 0.309 5.021 1.00 0.00 H new ATOM 0 HG SER A 87 2.679 -1.578 2.944 1.00 0.00 H new ATOM 1168 N GLU A 88 5.113 1.386 5.684 1.00 0.00 N ATOM 1169 CA GLU A 88 5.622 2.247 6.746 1.00 0.00 C ATOM 1170 C GLU A 88 6.359 3.444 6.160 1.00 0.00 C ATOM 1171 O GLU A 88 6.243 4.564 6.658 1.00 0.00 O ATOM 1172 CB GLU A 88 6.554 1.460 7.672 1.00 0.00 C ATOM 1173 CG GLU A 88 6.410 1.834 9.139 1.00 0.00 C ATOM 1174 CD GLU A 88 7.544 2.716 9.629 1.00 0.00 C ATOM 1175 OE1 GLU A 88 7.557 3.915 9.279 1.00 0.00 O ATOM 1176 OE2 GLU A 88 8.417 2.208 10.362 1.00 0.00 O ATOM 0 H GLU A 88 5.464 0.429 5.710 1.00 0.00 H new ATOM 0 HA GLU A 88 4.773 2.610 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.354 0.395 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.586 1.626 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.462 2.351 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.375 0.926 9.740 1.00 0.00 H new ATOM 1183 N ASP A 89 7.111 3.197 5.093 1.00 0.00 N ATOM 1184 CA ASP A 89 7.861 4.256 4.429 1.00 0.00 C ATOM 1185 C ASP A 89 6.913 5.269 3.799 1.00 0.00 C ATOM 1186 O ASP A 89 7.229 6.456 3.705 1.00 0.00 O ATOM 1187 CB ASP A 89 8.781 3.664 3.359 1.00 0.00 C ATOM 1188 CG ASP A 89 10.001 4.526 3.104 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.796 4.726 4.048 1.00 0.00 O ATOM 1190 OD2 ASP A 89 10.165 5.002 1.961 1.00 0.00 O ATOM 0 H ASP A 89 7.217 2.275 4.670 1.00 0.00 H new ATOM 0 HA ASP A 89 8.470 4.766 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.101 2.669 3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.223 3.545 2.430 1.00 0.00 H new ATOM 1195 N LEU A 90 5.747 4.794 3.371 1.00 0.00 N ATOM 1196 CA LEU A 90 4.749 5.658 2.752 1.00 0.00 C ATOM 1197 C LEU A 90 4.197 6.654 3.764 1.00 0.00 C ATOM 1198 O LEU A 90 4.121 7.853 3.492 1.00 0.00 O ATOM 1199 CB LEU A 90 3.612 4.820 2.161 1.00 0.00 C ATOM 1200 CG LEU A 90 2.454 5.625 1.567 1.00 0.00 C ATOM 1201 CD1 LEU A 90 1.940 4.963 0.297 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.331 5.771 2.584 1.00 0.00 C ATOM 0 H LEU A 90 5.471 3.815 3.442 1.00 0.00 H new ATOM 0 HA LEU A 90 5.230 6.214 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.022 4.175 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.219 4.168 2.941 1.00 0.00 H new ATOM 0 HG LEU A 90 2.821 6.619 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.117 5.549 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.745 4.908 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.590 3.957 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.515 6.346 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.967 4.784 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.705 6.288 3.468 1.00 0.00 H new ATOM 1214 N LEU A 91 3.820 6.153 4.934 1.00 0.00 N ATOM 1215 CA LEU A 91 3.289 7.010 5.989 1.00 0.00 C ATOM 1216 C LEU A 91 4.364 7.969 6.465 1.00 0.00 C ATOM 1217 O LEU A 91 4.130 9.171 6.605 1.00 0.00 O ATOM 1218 CB LEU A 91 2.779 6.181 7.169 1.00 0.00 C ATOM 1219 CG LEU A 91 2.142 4.847 6.795 1.00 0.00 C ATOM 1220 CD1 LEU A 91 1.816 4.040 8.044 1.00 0.00 C ATOM 1221 CD2 LEU A 91 0.891 5.068 5.959 1.00 0.00 C ATOM 0 H LEU A 91 3.871 5.164 5.176 1.00 0.00 H new ATOM 0 HA LEU A 91 2.451 7.574 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.612 5.991 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.048 6.773 7.720 1.00 0.00 H new ATOM 0 HG LEU A 91 2.857 4.281 6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.362 3.092 7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.732 3.849 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.120 4.601 8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.450 4.105 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.171 5.655 6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.153 5.602 5.046 1.00 0.00 H new ATOM 1233 N SER A 92 5.551 7.425 6.704 1.00 0.00 N ATOM 1234 CA SER A 92 6.683 8.222 7.157 1.00 0.00 C ATOM 1235 C SER A 92 6.989 9.336 6.161 1.00 0.00 C ATOM 1236 O SER A 92 7.377 10.439 6.547 1.00 0.00 O ATOM 1237 CB SER A 92 7.917 7.337 7.347 1.00 0.00 C ATOM 1238 OG SER A 92 8.741 7.828 8.389 1.00 0.00 O ATOM 0 H SER A 92 5.754 6.432 6.591 1.00 0.00 H new ATOM 0 HA SER A 92 6.421 8.672 8.114 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.606 6.318 7.575 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.486 7.296 6.418 1.00 0.00 H new ATOM 0 HG SER A 92 9.521 7.244 8.492 1.00 0.00 H new ATOM 1244 N ALA A 93 6.804 9.040 4.879 1.00 0.00 N ATOM 1245 CA ALA A 93 7.053 10.020 3.828 1.00 0.00 C ATOM 1246 C ALA A 93 6.013 11.133 3.873 1.00 0.00 C ATOM 1247 O ALA A 93 6.326 12.301 3.645 1.00 0.00 O ATOM 1248 CB ALA A 93 7.051 9.345 2.464 1.00 0.00 C ATOM 0 H ALA A 93 6.483 8.132 4.543 1.00 0.00 H new ATOM 0 HA ALA A 93 8.035 10.463 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.238 10.089 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.832 8.585 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.082 8.877 2.291 1.00 0.00 H new ATOM 1254 N LEU A 94 4.774 10.760 4.175 1.00 0.00 N ATOM 1255 CA LEU A 94 3.685 11.725 4.259 1.00 0.00 C ATOM 1256 C LEU A 94 3.837 12.599 5.497 1.00 0.00 C ATOM 1257 O LEU A 94 3.655 13.815 5.438 1.00 0.00 O ATOM 1258 CB LEU A 94 2.336 11.002 4.290 1.00 0.00 C ATOM 1259 CG LEU A 94 1.902 10.382 2.960 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.302 9.002 3.181 1.00 0.00 C ATOM 1261 CD2 LEU A 94 0.909 11.288 2.247 1.00 0.00 C ATOM 0 H LEU A 94 4.499 9.796 4.366 1.00 0.00 H new ATOM 0 HA LEU A 94 3.724 12.363 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.380 10.215 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.570 11.708 4.611 1.00 0.00 H new ATOM 0 HG LEU A 94 2.784 10.274 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.000 8.579 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.044 8.353 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.432 9.084 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.612 10.831 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.029 11.429 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.374 12.254 2.051 1.00 0.00 H new ATOM 1273 N GLN A 95 4.179 11.970 6.617 1.00 0.00 N ATOM 1274 CA GLN A 95 4.362 12.689 7.873 1.00 0.00 C ATOM 1275 C GLN A 95 5.393 13.802 7.714 1.00 0.00 C ATOM 1276 O GLN A 95 5.116 14.965 8.010 1.00 0.00 O ATOM 1277 CB GLN A 95 4.798 11.722 8.979 1.00 0.00 C ATOM 1278 CG GLN A 95 3.692 11.396 9.969 1.00 0.00 C ATOM 1279 CD GLN A 95 2.490 10.749 9.310 1.00 0.00 C ATOM 1280 OE1 GLN A 95 2.041 11.185 8.250 1.00 0.00 O ATOM 1281 NE2 GLN A 95 1.963 9.703 9.936 1.00 0.00 N ATOM 0 H GLN A 95 4.335 10.964 6.681 1.00 0.00 H new ATOM 0 HA GLN A 95 3.409 13.139 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.151 10.797 8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.641 12.155 9.518 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.083 10.729 10.738 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.378 12.311 10.471 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.368 9.376 10.813 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.153 9.227 9.540 1.00 0.00 H new ATOM 1290 N LYS A 96 6.577 13.440 7.231 1.00 0.00 N ATOM 1291 CA LYS A 96 7.639 14.414 7.023 1.00 0.00 C ATOM 1292 C LYS A 96 7.205 15.452 5.995 1.00 0.00 C ATOM 1293 O LYS A 96 7.553 16.630 6.096 1.00 0.00 O ATOM 1294 CB LYS A 96 8.924 13.721 6.562 1.00 0.00 C ATOM 1295 CG LYS A 96 8.749 12.879 5.309 1.00 0.00 C ATOM 1296 CD LYS A 96 9.812 11.795 5.212 1.00 0.00 C ATOM 1297 CE LYS A 96 10.429 11.739 3.824 1.00 0.00 C ATOM 1298 NZ LYS A 96 11.864 11.340 3.869 1.00 0.00 N ATOM 0 H LYS A 96 6.823 12.483 6.978 1.00 0.00 H new ATOM 0 HA LYS A 96 7.838 14.915 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.688 14.477 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.293 13.086 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.760 12.421 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.800 13.520 4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.592 11.982 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.370 10.828 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.874 11.031 3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.338 12.715 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.247 11.314 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.398 12.030 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.949 10.398 4.301 1.00 0.00 H new ATOM 1312 N LYS A 97 6.433 15.006 5.008 1.00 0.00 N ATOM 1313 CA LYS A 97 5.937 15.895 3.967 1.00 0.00 C ATOM 1314 C LYS A 97 5.038 16.970 4.566 1.00 0.00 C ATOM 1315 O LYS A 97 5.051 18.121 4.128 1.00 0.00 O ATOM 1316 CB LYS A 97 5.168 15.099 2.910 1.00 0.00 C ATOM 1317 CG LYS A 97 4.638 15.954 1.772 1.00 0.00 C ATOM 1318 CD LYS A 97 4.270 15.108 0.564 1.00 0.00 C ATOM 1319 CE LYS A 97 3.058 14.234 0.844 1.00 0.00 C ATOM 1320 NZ LYS A 97 3.124 12.941 0.110 1.00 0.00 N ATOM 0 H LYS A 97 6.139 14.034 4.909 1.00 0.00 H new ATOM 0 HA LYS A 97 6.791 16.378 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.821 14.329 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.333 14.588 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.762 16.508 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.391 16.689 1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.063 15.757 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.117 14.480 0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.990 14.041 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.152 14.768 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.629 12.207 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.671 13.046 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.118 12.665 -0.019 1.00 0.00 H new