USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 66 MET CE :methyl 174:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 MET CE :methyl -112:sc= -1.99 (180deg=-5.24!) USER MOD Set 1.3: A 90 MET CE :methyl -147:sc= -3 (180deg=-7.47!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0651 (180deg=-0.559) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -50:sc= -0.073 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.4!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0611 X(o=-0.061,f=-0.02) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.962 USER MOD Single : A 31 LYS NZ :NH3+ 141:sc= -0.29 (180deg=-2.79!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 46 MET CE :methyl 140:sc= -0.623 (180deg=-3.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc=-8.81e-05 X(o=-8.8e-05,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 49:sc= 0.414 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 96:sc= 1.21 USER MOD Single : A 71 MET CE :methyl -160:sc= -1.62 (180deg=-1.84) USER MOD Single : A 76 THR OG1 : rot -87:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.415 K(o=-0.41,f=-1) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot 180:sc= -0.163 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.300 2.254 1.393 1.00 2.12 N ATOM 2 CA MET A 1 4.228 1.298 1.649 1.00 55.40 C ATOM 3 C MET A 1 4.652 -0.112 1.250 1.00 43.44 C ATOM 4 O MET A 1 4.702 -1.015 2.085 1.00 21.44 O ATOM 5 CB MET A 1 2.965 1.698 0.884 1.00 1.43 C ATOM 6 CG MET A 1 2.403 3.047 1.304 1.00 14.10 C ATOM 7 SD MET A 1 1.099 3.629 0.203 1.00 63.13 S ATOM 8 CE MET A 1 1.816 5.160 -0.391 1.00 63.32 C ATOM 0 H1 MET A 1 5.162 3.097 1.986 1.00 2.12 H new ATOM 0 H2 MET A 1 6.216 1.817 1.620 1.00 2.12 H new ATOM 0 H3 MET A 1 5.287 2.530 0.390 1.00 2.12 H new ATOM 0 HA MET A 1 4.015 1.307 2.718 1.00 55.40 H new ATOM 0 HB2 MET A 1 3.188 1.723 -0.183 1.00 1.43 H new ATOM 0 HB3 MET A 1 2.202 0.933 1.032 1.00 1.43 H new ATOM 0 HG2 MET A 1 2.011 2.973 2.318 1.00 14.10 H new ATOM 0 HG3 MET A 1 3.209 3.781 1.327 1.00 14.10 H new ATOM 0 HE1 MET A 1 1.126 5.640 -1.085 1.00 63.32 H new ATOM 0 HE2 MET A 1 2.004 5.825 0.452 1.00 63.32 H new ATOM 0 HE3 MET A 1 2.755 4.948 -0.902 1.00 63.32 H new ATOM 18 N SER A 2 4.956 -0.294 -0.032 1.00 54.23 N ATOM 19 CA SER A 2 5.371 -1.596 -0.541 1.00 32.41 C ATOM 20 C SER A 2 6.873 -1.795 -0.363 1.00 10.23 C ATOM 21 O SER A 2 7.670 -0.909 -0.673 1.00 4.44 O ATOM 22 CB SER A 2 4.999 -1.732 -2.018 1.00 33.45 C ATOM 23 OG SER A 2 3.871 -0.934 -2.335 1.00 15.20 O ATOM 0 H SER A 2 4.923 0.443 -0.736 1.00 54.23 H new ATOM 0 HA SER A 2 4.850 -2.365 0.030 1.00 32.41 H new ATOM 0 HB2 SER A 2 5.845 -1.435 -2.638 1.00 33.45 H new ATOM 0 HB3 SER A 2 4.786 -2.776 -2.248 1.00 33.45 H new ATOM 0 HG SER A 2 3.654 -1.037 -3.285 1.00 15.20 H new ATOM 29 N LEU A 3 7.253 -2.965 0.138 1.00 73.31 N ATOM 30 CA LEU A 3 8.660 -3.282 0.358 1.00 75.02 C ATOM 31 C LEU A 3 9.258 -3.981 -0.859 1.00 14.53 C ATOM 32 O LEU A 3 8.653 -4.891 -1.426 1.00 42.22 O ATOM 33 CB LEU A 3 8.815 -4.168 1.596 1.00 63.32 C ATOM 34 CG LEU A 3 8.517 -3.503 2.940 1.00 12.11 C ATOM 35 CD1 LEU A 3 7.395 -4.235 3.660 1.00 30.40 C ATOM 36 CD2 LEU A 3 9.768 -3.460 3.804 1.00 14.33 C ATOM 0 H LEU A 3 6.607 -3.710 0.400 1.00 73.31 H new ATOM 0 HA LEU A 3 9.197 -2.347 0.517 1.00 75.02 H new ATOM 0 HB2 LEU A 3 8.157 -5.030 1.486 1.00 63.32 H new ATOM 0 HB3 LEU A 3 9.836 -4.548 1.620 1.00 63.32 H new ATOM 0 HG LEU A 3 8.194 -2.479 2.753 1.00 12.11 H new ATOM 0 HD11 LEU A 3 7.197 -3.748 4.615 1.00 30.40 H new ATOM 0 HD12 LEU A 3 6.494 -4.213 3.047 1.00 30.40 H new ATOM 0 HD13 LEU A 3 7.689 -5.270 3.835 1.00 30.40 H new ATOM 0 HD21 LEU A 3 9.536 -2.983 4.756 1.00 14.33 H new ATOM 0 HD22 LEU A 3 10.122 -4.475 3.983 1.00 14.33 H new ATOM 0 HD23 LEU A 3 10.544 -2.890 3.293 1.00 14.33 H new ATOM 48 N LYS A 4 10.450 -3.548 -1.255 1.00 74.23 N ATOM 49 CA LYS A 4 11.132 -4.134 -2.404 1.00 53.11 C ATOM 50 C LYS A 4 11.032 -5.656 -2.379 1.00 23.13 C ATOM 51 O LYS A 4 10.938 -6.298 -3.425 1.00 33.14 O ATOM 52 CB LYS A 4 12.603 -3.708 -2.420 1.00 4.34 C ATOM 53 CG LYS A 4 12.971 -2.842 -3.612 1.00 14.11 C ATOM 54 CD LYS A 4 13.177 -1.393 -3.205 1.00 62.11 C ATOM 55 CE LYS A 4 11.852 -0.693 -2.946 1.00 4.50 C ATOM 56 NZ LYS A 4 12.046 0.674 -2.387 1.00 25.42 N1+ ATOM 0 H LYS A 4 10.964 -2.794 -0.798 1.00 74.23 H new ATOM 0 HA LYS A 4 10.644 -3.771 -3.309 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.825 -3.163 -1.503 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.231 -4.599 -2.421 1.00 4.34 H new ATOM 0 HG2 LYS A 4 13.881 -3.224 -4.074 1.00 14.11 H new ATOM 0 HG3 LYS A 4 12.184 -2.902 -4.363 1.00 14.11 H new ATOM 0 HD2 LYS A 4 13.794 -1.350 -2.307 1.00 62.11 H new ATOM 0 HD3 LYS A 4 13.720 -0.867 -3.990 1.00 62.11 H new ATOM 0 HE2 LYS A 4 11.288 -0.628 -3.876 1.00 4.50 H new ATOM 0 HE3 LYS A 4 11.257 -1.288 -2.253 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 11.119 1.117 -2.225 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 12.562 0.611 -1.486 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 12.592 1.250 -3.059 1.00 25.42 H new ATOM 70 N SER A 5 11.055 -6.226 -1.178 1.00 45.41 N ATOM 71 CA SER A 5 10.969 -7.672 -1.018 1.00 45.22 C ATOM 72 C SER A 5 9.872 -8.254 -1.905 1.00 54.53 C ATOM 73 O SER A 5 9.934 -9.416 -2.308 1.00 44.30 O ATOM 74 CB SER A 5 10.700 -8.030 0.445 1.00 53.55 C ATOM 75 OG SER A 5 9.375 -7.693 0.816 1.00 22.21 O ATOM 0 H SER A 5 11.132 -5.708 -0.303 1.00 45.41 H new ATOM 0 HA SER A 5 11.923 -8.102 -1.321 1.00 45.22 H new ATOM 0 HB2 SER A 5 10.864 -9.097 0.598 1.00 53.55 H new ATOM 0 HB3 SER A 5 11.406 -7.504 1.087 1.00 53.55 H new ATOM 0 HG SER A 5 9.187 -6.768 0.552 1.00 22.21 H new ATOM 81 N ASP A 6 8.868 -7.437 -2.206 1.00 52.44 N ATOM 82 CA ASP A 6 7.757 -7.867 -3.046 1.00 71.01 C ATOM 83 C ASP A 6 8.264 -8.438 -4.367 1.00 21.35 C ATOM 84 O ASP A 6 7.836 -9.509 -4.795 1.00 22.51 O ATOM 85 CB ASP A 6 6.808 -6.698 -3.312 1.00 22.02 C ATOM 86 CG ASP A 6 7.453 -5.608 -4.145 1.00 15.21 C ATOM 87 OD1 ASP A 6 8.639 -5.301 -3.906 1.00 43.34 O ATOM 88 OD2 ASP A 6 6.769 -5.063 -5.038 1.00 45.13 O1- ATOM 0 H ASP A 6 8.801 -6.473 -1.880 1.00 52.44 H new ATOM 0 HA ASP A 6 7.215 -8.651 -2.516 1.00 71.01 H new ATOM 0 HB2 ASP A 6 5.919 -7.065 -3.824 1.00 22.02 H new ATOM 0 HB3 ASP A 6 6.478 -6.278 -2.362 1.00 22.02 H new ATOM 93 N GLU A 7 9.176 -7.714 -5.007 1.00 34.23 N ATOM 94 CA GLU A 7 9.739 -8.149 -6.280 1.00 34.02 C ATOM 95 C GLU A 7 10.270 -9.576 -6.182 1.00 65.44 C ATOM 96 O GLU A 7 10.130 -10.368 -7.114 1.00 4.31 O ATOM 97 CB GLU A 7 10.861 -7.204 -6.717 1.00 60.23 C ATOM 98 CG GLU A 7 11.400 -7.499 -8.106 1.00 53.31 C ATOM 99 CD GLU A 7 10.875 -6.534 -9.151 1.00 52.50 C ATOM 100 OE1 GLU A 7 10.999 -5.309 -8.943 1.00 42.03 O ATOM 101 OE2 GLU A 7 10.339 -7.003 -10.177 1.00 23.23 O1- ATOM 0 H GLU A 7 9.541 -6.825 -4.666 1.00 34.23 H new ATOM 0 HA GLU A 7 8.944 -8.127 -7.025 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.492 -6.179 -6.690 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.678 -7.267 -5.999 1.00 60.23 H new ATOM 0 HG2 GLU A 7 12.489 -7.452 -8.087 1.00 53.31 H new ATOM 0 HG3 GLU A 7 11.130 -8.517 -8.388 1.00 53.31 H new ATOM 108 N VAL A 8 10.881 -9.897 -5.045 1.00 74.30 N ATOM 109 CA VAL A 8 11.432 -11.228 -4.823 1.00 35.34 C ATOM 110 C VAL A 8 10.373 -12.304 -5.034 1.00 41.31 C ATOM 111 O VAL A 8 10.514 -13.166 -5.903 1.00 60.20 O ATOM 112 CB VAL A 8 12.012 -11.365 -3.403 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.446 -12.800 -3.140 1.00 15.23 C ATOM 114 CG2 VAL A 8 13.174 -10.404 -3.207 1.00 74.14 C ATOM 0 H VAL A 8 11.006 -9.253 -4.264 1.00 74.30 H new ATOM 0 HA VAL A 8 12.233 -11.364 -5.550 1.00 35.34 H new ATOM 0 HB VAL A 8 11.233 -11.108 -2.685 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.853 -12.878 -2.132 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.587 -13.464 -3.236 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.209 -13.088 -3.863 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.571 -10.515 -2.198 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.957 -10.627 -3.932 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.828 -9.380 -3.350 1.00 74.14 H new ATOM 124 N PHE A 9 9.313 -12.248 -4.236 1.00 5.40 N ATOM 125 CA PHE A 9 8.229 -13.219 -4.335 1.00 4.42 C ATOM 126 C PHE A 9 7.744 -13.348 -5.775 1.00 14.12 C ATOM 127 O PHE A 9 7.534 -14.452 -6.275 1.00 72.03 O ATOM 128 CB PHE A 9 7.067 -12.811 -3.427 1.00 14.30 C ATOM 129 CG PHE A 9 7.466 -12.612 -1.993 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.521 -13.687 -1.121 1.00 64.03 C ATOM 131 CD2 PHE A 9 7.787 -11.351 -1.518 1.00 71.40 C ATOM 132 CE1 PHE A 9 7.889 -13.509 0.200 1.00 45.45 C ATOM 133 CE2 PHE A 9 8.156 -11.167 -0.199 1.00 70.23 C ATOM 134 CZ PHE A 9 8.206 -12.246 0.662 1.00 3.11 C ATOM 0 H PHE A 9 9.181 -11.541 -3.513 1.00 5.40 H new ATOM 0 HA PHE A 9 8.611 -14.187 -4.012 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.628 -11.887 -3.805 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.292 -13.576 -3.477 1.00 14.30 H new ATOM 0 HD1 PHE A 9 7.273 -14.676 -1.477 1.00 64.03 H new ATOM 0 HD2 PHE A 9 7.748 -10.503 -2.185 1.00 71.40 H new ATOM 0 HE1 PHE A 9 7.929 -14.356 0.869 1.00 45.45 H new ATOM 0 HE2 PHE A 9 8.405 -10.179 0.159 1.00 70.23 H new ATOM 0 HZ PHE A 9 8.492 -12.103 1.694 1.00 3.11 H new ATOM 144 N ALA A 10 7.568 -12.209 -6.438 1.00 54.15 N ATOM 145 CA ALA A 10 7.109 -12.193 -7.822 1.00 71.40 C ATOM 146 C ALA A 10 8.110 -12.885 -8.740 1.00 23.42 C ATOM 147 O ALA A 10 7.733 -13.680 -9.601 1.00 32.34 O ATOM 148 CB ALA A 10 6.869 -10.763 -8.282 1.00 11.12 C ATOM 0 H ALA A 10 7.736 -11.286 -6.039 1.00 54.15 H new ATOM 0 HA ALA A 10 6.169 -12.742 -7.873 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.527 -10.766 -9.317 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.111 -10.300 -7.650 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.797 -10.197 -8.209 1.00 11.12 H new ATOM 154 N LYS A 11 9.390 -12.577 -8.552 1.00 53.04 N ATOM 155 CA LYS A 11 10.446 -13.171 -9.363 1.00 71.11 C ATOM 156 C LYS A 11 10.406 -14.693 -9.282 1.00 34.23 C ATOM 157 O LYS A 11 10.439 -15.380 -10.303 1.00 35.32 O ATOM 158 CB LYS A 11 11.815 -12.660 -8.906 1.00 75.32 C ATOM 159 CG LYS A 11 12.022 -11.174 -9.144 1.00 51.04 C ATOM 160 CD LYS A 11 13.012 -10.923 -10.268 1.00 31.12 C ATOM 161 CE LYS A 11 12.393 -11.204 -11.629 1.00 2.51 C ATOM 162 NZ LYS A 11 11.591 -10.051 -12.122 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.720 -11.920 -7.845 1.00 53.04 H new ATOM 0 HA LYS A 11 10.282 -12.877 -10.400 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.935 -12.869 -7.843 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.594 -13.215 -9.430 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.068 -10.707 -9.387 1.00 51.04 H new ATOM 0 HG3 LYS A 11 12.382 -10.705 -8.229 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.354 -9.889 -10.229 1.00 31.12 H new ATOM 0 HD3 LYS A 11 13.890 -11.554 -10.129 1.00 31.12 H new ATOM 0 HE2 LYS A 11 13.181 -11.431 -12.347 1.00 2.51 H new ATOM 0 HE3 LYS A 11 11.757 -12.087 -11.564 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 11.186 -10.282 -13.052 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 10.823 -9.850 -11.450 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 12.203 -9.214 -12.209 1.00 32.05 H new ATOM 176 N ILE A 12 10.333 -15.213 -8.061 1.00 21.10 N ATOM 177 CA ILE A 12 10.286 -16.655 -7.848 1.00 64.54 C ATOM 178 C ILE A 12 9.136 -17.288 -8.623 1.00 34.03 C ATOM 179 O ILE A 12 9.322 -18.273 -9.337 1.00 74.53 O ATOM 180 CB ILE A 12 10.134 -16.999 -6.354 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.395 -16.602 -5.586 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.843 -18.481 -6.178 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.300 -16.849 -4.097 1.00 2.33 C ATOM 0 H ILE A 12 10.305 -14.658 -7.205 1.00 21.10 H new ATOM 0 HA ILE A 12 11.231 -17.058 -8.211 1.00 64.54 H new ATOM 0 HB ILE A 12 9.294 -16.434 -5.950 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.243 -17.158 -5.985 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.598 -15.545 -5.758 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.738 -18.708 -5.117 1.00 5.33 H new ATOM 0 HG22 ILE A 12 8.918 -18.734 -6.696 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.664 -19.065 -6.595 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.230 -16.544 -3.618 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.473 -16.272 -3.684 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.129 -17.910 -3.914 1.00 2.33 H new ATOM 195 N ALA A 13 7.945 -16.713 -8.480 1.00 52.24 N ATOM 196 CA ALA A 13 6.766 -17.218 -9.170 1.00 63.33 C ATOM 197 C ALA A 13 6.973 -17.224 -10.681 1.00 65.53 C ATOM 198 O ALA A 13 6.763 -18.240 -11.343 1.00 52.01 O ATOM 199 CB ALA A 13 5.545 -16.386 -8.806 1.00 65.33 C ATOM 0 H ALA A 13 7.773 -15.897 -7.892 1.00 52.24 H new ATOM 0 HA ALA A 13 6.601 -18.246 -8.849 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.671 -16.774 -9.329 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.377 -16.438 -7.730 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.711 -15.349 -9.098 1.00 65.33 H new ATOM 205 N LYS A 14 7.385 -16.082 -11.220 1.00 61.31 N ATOM 206 CA LYS A 14 7.623 -15.954 -12.653 1.00 24.13 C ATOM 207 C LYS A 14 8.594 -17.024 -13.142 1.00 74.23 C ATOM 208 O LYS A 14 8.565 -17.416 -14.308 1.00 64.00 O ATOM 209 CB LYS A 14 8.172 -14.564 -12.979 1.00 55.21 C ATOM 210 CG LYS A 14 7.824 -14.083 -14.376 1.00 43.13 C ATOM 211 CD LYS A 14 8.186 -12.620 -14.570 1.00 15.10 C ATOM 212 CE LYS A 14 7.393 -11.995 -15.707 1.00 0.23 C ATOM 213 NZ LYS A 14 8.282 -11.473 -16.782 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.561 -15.231 -10.686 1.00 61.31 H new ATOM 0 HA LYS A 14 6.671 -16.091 -13.166 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.785 -13.850 -12.252 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.256 -14.576 -12.868 1.00 55.21 H new ATOM 0 HG2 LYS A 14 8.351 -14.690 -15.112 1.00 43.13 H new ATOM 0 HG3 LYS A 14 6.758 -14.221 -14.554 1.00 43.13 H new ATOM 0 HD2 LYS A 14 7.995 -12.072 -13.648 1.00 15.10 H new ATOM 0 HD3 LYS A 14 9.252 -12.533 -14.778 1.00 15.10 H new ATOM 0 HE2 LYS A 14 6.713 -12.737 -16.126 1.00 0.23 H new ATOM 0 HE3 LYS A 14 6.778 -11.183 -15.318 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 7.703 -11.055 -17.538 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 8.914 -10.747 -16.388 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 8.850 -12.252 -17.171 1.00 52.31 H new ATOM 227 N ARG A 15 9.453 -17.492 -12.242 1.00 24.20 N ATOM 228 CA ARG A 15 10.433 -18.516 -12.581 1.00 2.23 C ATOM 229 C ARG A 15 9.776 -19.891 -12.669 1.00 74.55 C ATOM 230 O ARG A 15 10.175 -20.732 -13.475 1.00 13.42 O ATOM 231 CB ARG A 15 11.557 -18.542 -11.543 1.00 52.33 C ATOM 232 CG ARG A 15 12.669 -19.523 -11.873 1.00 60.13 C ATOM 233 CD ARG A 15 13.373 -19.152 -13.169 1.00 64.22 C ATOM 234 NE ARG A 15 13.433 -20.276 -14.101 1.00 31.41 N ATOM 235 CZ ARG A 15 14.254 -20.322 -15.144 1.00 3.45 C ATOM 236 NH1 ARG A 15 15.081 -19.314 -15.387 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 14.251 -21.378 -15.947 1.00 54.20 N ATOM 0 H ARG A 15 9.490 -17.178 -11.272 1.00 24.20 H new ATOM 0 HA ARG A 15 10.854 -18.270 -13.556 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.981 -17.542 -11.454 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.136 -18.797 -10.571 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.392 -19.543 -11.058 1.00 60.13 H new ATOM 0 HG3 ARG A 15 12.256 -20.528 -11.957 1.00 60.13 H new ATOM 0 HD2 ARG A 15 12.851 -18.319 -13.639 1.00 64.22 H new ATOM 0 HD3 ARG A 15 14.384 -18.811 -12.947 1.00 64.22 H new ATOM 0 HE ARG A 15 12.811 -21.068 -13.942 1.00 31.41 H new ATOM 0 HH11 ARG A 15 15.088 -18.500 -14.772 1.00 71.10 H new ATOM 0 HH12 ARG A 15 15.710 -19.353 -16.189 1.00 71.10 H new ATOM 0 HH21 ARG A 15 13.618 -22.156 -15.764 1.00 54.20 H new ATOM 0 HH22 ARG A 15 14.882 -21.412 -16.748 1.00 54.20 H new ATOM 251 N LEU A 16 8.767 -20.112 -11.834 1.00 62.42 N ATOM 252 CA LEU A 16 8.054 -21.385 -11.816 1.00 42.54 C ATOM 253 C LEU A 16 7.269 -21.587 -13.108 1.00 3.14 C ATOM 254 O LEU A 16 6.967 -22.717 -13.490 1.00 45.05 O ATOM 255 CB LEU A 16 7.106 -21.443 -10.617 1.00 71.15 C ATOM 256 CG LEU A 16 7.645 -20.868 -9.306 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.728 -21.229 -8.147 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.058 -21.370 -9.046 1.00 22.33 C ATOM 0 H LEU A 16 8.424 -19.427 -11.161 1.00 62.42 H new ATOM 0 HA LEU A 16 8.790 -22.185 -11.730 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.192 -20.909 -10.876 1.00 71.15 H new ATOM 0 HB3 LEU A 16 6.830 -22.484 -10.448 1.00 71.15 H new ATOM 0 HG LEU A 16 7.676 -19.782 -9.393 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.128 -20.811 -7.223 1.00 44.00 H new ATOM 0 HD12 LEU A 16 5.734 -20.821 -8.329 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.665 -22.313 -8.057 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.426 -20.951 -8.109 1.00 22.33 H new ATOM 0 HD22 LEU A 16 9.051 -22.458 -8.979 1.00 22.33 H new ATOM 0 HD23 LEU A 16 9.710 -21.061 -9.863 1.00 22.33 H new ATOM 270 N GLU A 17 6.946 -20.485 -13.777 1.00 24.21 N ATOM 271 CA GLU A 17 6.198 -20.543 -15.028 1.00 73.03 C ATOM 272 C GLU A 17 6.921 -21.409 -16.055 1.00 53.54 C ATOM 273 O GLU A 17 6.305 -21.949 -16.973 1.00 53.11 O ATOM 274 CB GLU A 17 5.987 -19.135 -15.589 1.00 62.44 C ATOM 275 CG GLU A 17 5.362 -18.171 -14.593 1.00 32.22 C ATOM 276 CD GLU A 17 5.280 -16.754 -15.127 1.00 55.30 C ATOM 277 OE1 GLU A 17 6.255 -16.303 -15.763 1.00 64.43 O ATOM 278 OE2 GLU A 17 4.241 -16.097 -14.909 1.00 71.21 O1- ATOM 0 H GLU A 17 7.190 -19.542 -13.474 1.00 24.21 H new ATOM 0 HA GLU A 17 5.227 -20.992 -14.820 1.00 73.03 H new ATOM 0 HB2 GLU A 17 6.947 -18.735 -15.916 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.350 -19.196 -16.472 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.361 -18.517 -14.337 1.00 32.22 H new ATOM 0 HG3 GLU A 17 5.946 -18.175 -13.673 1.00 32.22 H new ATOM 285 N SER A 18 8.236 -21.534 -15.893 1.00 60.23 N ATOM 286 CA SER A 18 9.045 -22.329 -16.808 1.00 50.12 C ATOM 287 C SER A 18 8.976 -23.811 -16.448 1.00 44.52 C ATOM 288 O SER A 18 9.274 -24.676 -17.272 1.00 12.43 O ATOM 289 CB SER A 18 10.499 -21.854 -16.780 1.00 53.43 C ATOM 290 OG SER A 18 10.974 -21.588 -18.089 1.00 62.03 O ATOM 0 H SER A 18 8.762 -21.095 -15.137 1.00 60.23 H new ATOM 0 HA SER A 18 8.646 -22.198 -17.814 1.00 50.12 H new ATOM 0 HB2 SER A 18 10.579 -20.954 -16.171 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.124 -22.613 -16.310 1.00 53.43 H new ATOM 0 HG SER A 18 11.905 -21.284 -18.044 1.00 62.03 H new ATOM 296 N ILE A 19 8.579 -24.095 -15.212 1.00 61.30 N ATOM 297 CA ILE A 19 8.468 -25.471 -14.743 1.00 41.24 C ATOM 298 C ILE A 19 7.667 -26.322 -15.721 1.00 31.14 C ATOM 299 O ILE A 19 6.441 -26.228 -15.783 1.00 72.51 O ATOM 300 CB ILE A 19 7.804 -25.540 -13.355 1.00 11.12 C ATOM 301 CG1 ILE A 19 8.716 -24.917 -12.297 1.00 33.03 C ATOM 302 CG2 ILE A 19 7.476 -26.982 -12.997 1.00 52.32 C ATOM 303 CD1 ILE A 19 8.044 -24.731 -10.955 1.00 70.51 C ATOM 0 H ILE A 19 8.329 -23.391 -14.518 1.00 61.30 H new ATOM 0 HA ILE A 19 9.482 -25.863 -14.671 1.00 41.24 H new ATOM 0 HB ILE A 19 6.874 -24.972 -13.385 1.00 11.12 H new ATOM 0 HG12 ILE A 19 9.595 -25.548 -12.170 1.00 33.03 H new ATOM 0 HG13 ILE A 19 9.067 -23.950 -12.656 1.00 33.03 H new ATOM 0 HG21 ILE A 19 7.007 -27.015 -12.013 1.00 52.32 H new ATOM 0 HG22 ILE A 19 6.792 -27.395 -13.739 1.00 52.32 H new ATOM 0 HG23 ILE A 19 8.393 -27.571 -12.982 1.00 52.32 H new ATOM 0 HD11 ILE A 19 8.749 -24.285 -10.254 1.00 70.51 H new ATOM 0 HD12 ILE A 19 7.181 -24.075 -11.068 1.00 70.51 H new ATOM 0 HD13 ILE A 19 7.717 -25.699 -10.575 1.00 70.51 H new ATOM 315 N ASP A 20 8.368 -27.154 -16.485 1.00 31.11 N ATOM 316 CA ASP A 20 7.722 -28.026 -17.458 1.00 60.31 C ATOM 317 C ASP A 20 7.835 -29.489 -17.039 1.00 52.22 C ATOM 318 O ASP A 20 8.827 -29.915 -16.447 1.00 2.52 O ATOM 319 CB ASP A 20 8.345 -27.830 -18.842 1.00 72.22 C ATOM 320 CG ASP A 20 7.357 -27.271 -19.847 1.00 72.21 C ATOM 321 OD1 ASP A 20 6.771 -26.203 -19.572 1.00 54.13 O1- ATOM 322 OD2 ASP A 20 7.168 -27.902 -20.908 1.00 1.44 O ATOM 0 H ASP A 20 9.384 -27.242 -16.449 1.00 31.11 H new ATOM 0 HA ASP A 20 6.666 -27.760 -17.501 1.00 60.31 H new ATOM 0 HB2 ASP A 20 9.198 -27.156 -18.761 1.00 72.22 H new ATOM 0 HB3 ASP A 20 8.727 -28.785 -19.204 1.00 72.22 H new ATOM 327 N PRO A 21 6.795 -30.277 -17.351 1.00 3.01 N ATOM 328 CA PRO A 21 6.754 -31.702 -17.015 1.00 51.32 C ATOM 329 C PRO A 21 7.745 -32.520 -17.834 1.00 31.01 C ATOM 330 O PRO A 21 7.996 -33.688 -17.539 1.00 73.52 O ATOM 331 CB PRO A 21 5.317 -32.106 -17.355 1.00 40.32 C ATOM 332 CG PRO A 21 4.884 -31.125 -18.389 1.00 41.15 C ATOM 333 CD PRO A 21 5.579 -29.835 -18.055 1.00 41.12 C ATOM 0 HA PRO A 21 7.028 -31.883 -15.976 1.00 51.32 H new ATOM 0 HB2 PRO A 21 5.272 -33.127 -17.734 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.675 -32.064 -16.475 1.00 40.32 H new ATOM 0 HG2 PRO A 21 5.155 -31.466 -19.388 1.00 41.15 H new ATOM 0 HG3 PRO A 21 3.801 -30.999 -18.378 1.00 41.15 H new ATOM 0 HD2 PRO A 21 5.819 -29.263 -18.952 1.00 41.12 H new ATOM 0 HD3 PRO A 21 4.960 -29.196 -17.426 1.00 41.12 H new ATOM 341 N ALA A 22 8.308 -31.899 -18.867 1.00 74.25 N ATOM 342 CA ALA A 22 9.273 -32.569 -19.728 1.00 71.25 C ATOM 343 C ALA A 22 10.625 -32.703 -19.036 1.00 24.44 C ATOM 344 O ALA A 22 11.517 -33.396 -19.524 1.00 64.13 O ATOM 345 CB ALA A 22 9.422 -31.814 -21.041 1.00 74.40 C ATOM 0 H ALA A 22 8.111 -30.932 -19.127 1.00 74.25 H new ATOM 0 HA ALA A 22 8.901 -33.572 -19.938 1.00 71.25 H new ATOM 0 HB1 ALA A 22 10.146 -32.326 -21.675 1.00 74.40 H new ATOM 0 HB2 ALA A 22 8.459 -31.775 -21.549 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.768 -30.800 -20.840 1.00 74.40 H new ATOM 351 N ASN A 23 10.772 -32.032 -17.898 1.00 31.42 N ATOM 352 CA ASN A 23 12.017 -32.076 -17.140 1.00 33.21 C ATOM 353 C ASN A 23 11.874 -31.332 -15.816 1.00 71.22 C ATOM 354 O ASN A 23 11.875 -30.101 -15.781 1.00 21.44 O ATOM 355 CB ASN A 23 13.158 -31.469 -17.958 1.00 24.34 C ATOM 356 CG ASN A 23 14.523 -31.873 -17.435 1.00 24.24 C ATOM 357 OD1 ASN A 23 15.212 -32.695 -18.039 1.00 64.52 O ATOM 358 ND2 ASN A 23 14.921 -31.294 -16.308 1.00 44.13 N ATOM 0 H ASN A 23 10.044 -31.452 -17.481 1.00 31.42 H new ATOM 0 HA ASN A 23 12.247 -33.120 -16.927 1.00 33.21 H new ATOM 0 HB2 ASN A 23 13.063 -31.783 -18.998 1.00 24.34 H new ATOM 0 HB3 ASN A 23 13.074 -30.382 -17.944 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.831 -31.525 -15.909 1.00 44.13 H new ATOM 0 HD22 ASN A 23 14.317 -30.618 -15.841 1.00 44.13 H new ATOM 365 N ARG A 24 11.752 -32.087 -14.729 1.00 31.34 N ATOM 366 CA ARG A 24 11.607 -31.499 -13.403 1.00 3.31 C ATOM 367 C ARG A 24 12.795 -31.861 -12.515 1.00 41.40 C ATOM 368 O ARG A 24 13.809 -32.366 -12.996 1.00 60.52 O ATOM 369 CB ARG A 24 10.307 -31.972 -12.751 1.00 43.24 C ATOM 370 CG ARG A 24 9.075 -31.742 -13.610 1.00 73.04 C ATOM 371 CD ARG A 24 8.459 -30.377 -13.347 1.00 15.52 C ATOM 372 NE ARG A 24 9.372 -29.495 -12.623 1.00 53.32 N ATOM 373 CZ ARG A 24 10.138 -28.585 -13.212 1.00 20.53 C ATOM 374 NH1 ARG A 24 10.101 -28.436 -14.529 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 10.942 -27.820 -12.485 1.00 32.13 N ATOM 0 H ARG A 24 11.751 -33.107 -14.741 1.00 31.34 H new ATOM 0 HA ARG A 24 11.576 -30.415 -13.515 1.00 3.31 H new ATOM 0 HB2 ARG A 24 10.389 -33.035 -12.526 1.00 43.24 H new ATOM 0 HB3 ARG A 24 10.178 -31.455 -11.800 1.00 43.24 H new ATOM 0 HG2 ARG A 24 9.344 -31.824 -14.663 1.00 73.04 H new ATOM 0 HG3 ARG A 24 8.339 -32.520 -13.408 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.184 -29.915 -14.295 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.540 -30.498 -12.773 1.00 15.52 H new ATOM 0 HE ARG A 24 9.423 -29.584 -11.608 1.00 53.32 H new ATOM 0 HH11 ARG A 24 9.483 -29.021 -15.091 1.00 42.41 H new ATOM 0 HH12 ARG A 24 10.690 -27.736 -14.980 1.00 42.41 H new ATOM 0 HH21 ARG A 24 10.972 -27.931 -11.471 1.00 32.13 H new ATOM 0 HH22 ARG A 24 11.530 -27.121 -12.940 1.00 32.13 H new ATOM 389 N GLN A 25 12.661 -31.598 -11.219 1.00 23.44 N ATOM 390 CA GLN A 25 13.724 -31.895 -10.265 1.00 3.41 C ATOM 391 C GLN A 25 13.234 -31.716 -8.832 1.00 43.32 C ATOM 392 O GLN A 25 13.318 -30.625 -8.269 1.00 3.03 O ATOM 393 CB GLN A 25 14.932 -30.995 -10.521 1.00 73.40 C ATOM 394 CG GLN A 25 16.145 -31.740 -11.055 1.00 65.05 C ATOM 395 CD GLN A 25 16.837 -30.998 -12.181 1.00 54.13 C ATOM 396 OE1 GLN A 25 16.200 -30.275 -12.947 1.00 72.12 O ATOM 397 NE2 GLN A 25 18.149 -31.173 -12.288 1.00 12.31 N ATOM 0 H GLN A 25 11.828 -31.180 -10.805 1.00 23.44 H new ATOM 0 HA GLN A 25 14.020 -32.935 -10.400 1.00 3.41 H new ATOM 0 HB2 GLN A 25 14.651 -30.218 -11.232 1.00 73.40 H new ATOM 0 HB3 GLN A 25 15.204 -30.494 -9.592 1.00 73.40 H new ATOM 0 HG2 GLN A 25 16.853 -31.902 -10.243 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.836 -32.723 -11.409 1.00 65.05 H new ATOM 0 HE21 GLN A 25 18.638 -31.782 -11.631 1.00 12.31 H new ATOM 0 HE22 GLN A 25 18.668 -30.699 -13.027 1.00 12.31 H new ATOM 406 N VAL A 26 12.722 -32.794 -8.248 1.00 53.35 N ATOM 407 CA VAL A 26 12.220 -32.756 -6.879 1.00 53.24 C ATOM 408 C VAL A 26 11.018 -31.825 -6.760 1.00 23.30 C ATOM 409 O VAL A 26 11.145 -30.612 -6.913 1.00 23.40 O ATOM 410 CB VAL A 26 13.311 -32.298 -5.894 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.695 -31.911 -4.558 1.00 24.22 C ATOM 412 CG2 VAL A 26 14.357 -33.387 -5.713 1.00 61.33 C ATOM 0 H VAL A 26 12.644 -33.705 -8.701 1.00 53.35 H new ATOM 0 HA VAL A 26 11.915 -33.771 -6.625 1.00 53.24 H new ATOM 0 HB VAL A 26 13.804 -31.419 -6.308 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.481 -31.590 -3.874 1.00 24.22 H new ATOM 0 HG12 VAL A 26 11.987 -31.095 -4.706 1.00 24.22 H new ATOM 0 HG13 VAL A 26 12.175 -32.770 -4.135 1.00 24.22 H new ATOM 0 HG21 VAL A 26 15.120 -33.046 -5.014 1.00 61.33 H new ATOM 0 HG22 VAL A 26 13.882 -34.286 -5.321 1.00 61.33 H new ATOM 0 HG23 VAL A 26 14.820 -33.610 -6.674 1.00 61.33 H new ATOM 422 N GLU A 27 9.853 -32.404 -6.486 1.00 51.22 N ATOM 423 CA GLU A 27 8.629 -31.625 -6.347 1.00 53.14 C ATOM 424 C GLU A 27 8.020 -31.812 -4.960 1.00 20.43 C ATOM 425 O GLU A 27 7.791 -32.938 -4.518 1.00 21.25 O ATOM 426 CB GLU A 27 7.616 -32.030 -7.420 1.00 64.43 C ATOM 427 CG GLU A 27 7.777 -31.272 -8.727 1.00 1.54 C ATOM 428 CD GLU A 27 6.455 -30.769 -9.277 1.00 23.31 C ATOM 429 OE1 GLU A 27 5.930 -29.773 -8.738 1.00 13.03 O ATOM 430 OE2 GLU A 27 5.947 -31.373 -10.244 1.00 0.53 O1- ATOM 0 H GLU A 27 9.732 -33.408 -6.356 1.00 51.22 H new ATOM 0 HA GLU A 27 8.882 -30.572 -6.475 1.00 53.14 H new ATOM 0 HB2 GLU A 27 7.713 -33.098 -7.615 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.609 -31.867 -7.037 1.00 64.43 H new ATOM 0 HG2 GLU A 27 8.447 -30.426 -8.572 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.249 -31.922 -9.464 1.00 1.54 H new ATOM 437 N HIS A 28 7.759 -30.701 -4.280 1.00 1.34 N ATOM 438 CA HIS A 28 7.175 -30.741 -2.943 1.00 23.23 C ATOM 439 C HIS A 28 6.727 -29.350 -2.504 1.00 12.45 C ATOM 440 O HIS A 28 6.951 -28.364 -3.206 1.00 2.54 O ATOM 441 CB HIS A 28 8.183 -31.305 -1.942 1.00 64.15 C ATOM 442 CG HIS A 28 7.836 -32.677 -1.452 1.00 70.02 C ATOM 443 ND1 HIS A 28 8.722 -33.733 -1.483 1.00 64.13 N ATOM 444 CD2 HIS A 28 6.693 -33.162 -0.914 1.00 51.55 C ATOM 445 CE1 HIS A 28 8.137 -34.810 -0.987 1.00 15.35 C ATOM 446 NE2 HIS A 28 6.905 -34.490 -0.634 1.00 63.45 N ATOM 0 H HIS A 28 7.942 -29.761 -4.632 1.00 1.34 H new ATOM 0 HA HIS A 28 6.301 -31.391 -2.973 1.00 23.23 H new ATOM 0 HB2 HIS A 28 9.168 -31.333 -2.407 1.00 64.15 H new ATOM 0 HB3 HIS A 28 8.252 -30.630 -1.089 1.00 64.15 H new ATOM 0 HD2 HIS A 28 5.783 -32.608 -0.738 1.00 51.55 H new ATOM 0 HE1 HIS A 28 8.590 -35.786 -0.887 1.00 15.35 H new ATOM 0 HE2 HIS A 28 6.222 -35.125 -0.221 1.00 63.45 H new ATOM 454 N VAL A 29 6.094 -29.279 -1.338 1.00 54.23 N ATOM 455 CA VAL A 29 5.614 -28.010 -0.805 1.00 31.14 C ATOM 456 C VAL A 29 6.702 -27.306 -0.001 1.00 41.44 C ATOM 457 O VAL A 29 7.459 -27.943 0.731 1.00 25.11 O ATOM 458 CB VAL A 29 4.377 -28.208 0.091 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.910 -26.878 0.659 1.00 32.45 C ATOM 460 CG2 VAL A 29 3.260 -28.888 -0.687 1.00 5.11 C ATOM 0 H VAL A 29 5.902 -30.086 -0.744 1.00 54.23 H new ATOM 0 HA VAL A 29 5.339 -27.392 -1.660 1.00 31.14 H new ATOM 0 HB VAL A 29 4.653 -28.853 0.925 1.00 21.50 H new ATOM 0 HG11 VAL A 29 3.035 -27.039 1.289 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.709 -26.435 1.254 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.650 -26.205 -0.158 1.00 32.45 H new ATOM 0 HG21 VAL A 29 2.394 -29.020 -0.039 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.983 -28.270 -1.541 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.602 -29.861 -1.039 1.00 5.11 H new ATOM 470 N TYR A 30 6.774 -25.987 -0.143 1.00 54.15 N ATOM 471 CA TYR A 30 7.770 -25.195 0.569 1.00 42.42 C ATOM 472 C TYR A 30 7.110 -24.060 1.346 1.00 53.31 C ATOM 473 O TYR A 30 6.178 -23.419 0.861 1.00 71.04 O ATOM 474 CB TYR A 30 8.796 -24.627 -0.413 1.00 40.44 C ATOM 475 CG TYR A 30 9.538 -25.688 -1.195 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.869 -26.905 -0.611 1.00 23.33 C ATOM 477 CD2 TYR A 30 9.909 -25.473 -2.516 1.00 63.54 C ATOM 478 CE1 TYR A 30 10.547 -27.877 -1.321 1.00 42.43 C ATOM 479 CE2 TYR A 30 10.586 -26.440 -3.235 1.00 50.54 C ATOM 480 CZ TYR A 30 10.902 -27.640 -2.633 1.00 32.12 C ATOM 481 OH TYR A 30 11.578 -28.605 -3.344 1.00 33.15 O ATOM 0 H TYR A 30 6.155 -25.444 -0.745 1.00 54.15 H new ATOM 0 HA TYR A 30 8.278 -25.848 1.278 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.288 -23.961 -1.111 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.517 -24.022 0.137 1.00 40.44 H new ATOM 0 HD1 TYR A 30 9.591 -27.094 0.415 1.00 23.33 H new ATOM 0 HD2 TYR A 30 9.664 -24.534 -2.990 1.00 63.54 H new ATOM 0 HE1 TYR A 30 10.798 -28.817 -0.852 1.00 42.43 H new ATOM 0 HE2 TYR A 30 10.866 -26.257 -4.262 1.00 50.54 H new ATOM 0 HH TYR A 30 11.752 -28.281 -4.252 1.00 33.15 H new ATOM 491 N LYS A 31 7.604 -23.815 2.555 1.00 21.53 N ATOM 492 CA LYS A 31 7.065 -22.757 3.402 1.00 33.30 C ATOM 493 C LYS A 31 8.032 -21.580 3.481 1.00 72.40 C ATOM 494 O LYS A 31 9.246 -21.765 3.576 1.00 42.23 O ATOM 495 CB LYS A 31 6.782 -23.292 4.807 1.00 30.01 C ATOM 496 CG LYS A 31 6.244 -22.242 5.761 1.00 12.24 C ATOM 497 CD LYS A 31 4.764 -22.445 6.038 1.00 72.33 C ATOM 498 CE LYS A 31 3.947 -22.404 4.757 1.00 1.42 C ATOM 499 NZ LYS A 31 3.626 -23.770 4.258 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.377 -24.335 2.971 1.00 21.53 H new ATOM 0 HA LYS A 31 6.132 -22.411 2.958 1.00 33.30 H new ATOM 0 HB2 LYS A 31 6.064 -24.109 4.737 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.701 -23.709 5.220 1.00 30.01 H new ATOM 0 HG2 LYS A 31 6.799 -22.282 6.698 1.00 12.24 H new ATOM 0 HG3 LYS A 31 6.403 -21.250 5.339 1.00 12.24 H new ATOM 0 HD2 LYS A 31 4.614 -23.403 6.536 1.00 72.33 H new ATOM 0 HD3 LYS A 31 4.411 -21.672 6.721 1.00 72.33 H new ATOM 0 HE2 LYS A 31 3.022 -21.856 4.934 1.00 1.42 H new ATOM 0 HE3 LYS A 31 4.499 -21.859 3.992 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 2.656 -23.784 3.884 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.292 -24.029 3.502 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 3.706 -24.452 5.039 1.00 74.42 H new ATOM 513 N PHE A 32 7.488 -20.368 3.442 1.00 21.34 N ATOM 514 CA PHE A 32 8.302 -19.160 3.510 1.00 31.43 C ATOM 515 C PHE A 32 7.776 -18.210 4.582 1.00 73.13 C ATOM 516 O PHE A 32 6.647 -17.725 4.497 1.00 30.25 O ATOM 517 CB PHE A 32 8.322 -18.456 2.153 1.00 2.44 C ATOM 518 CG PHE A 32 9.665 -18.488 1.480 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.814 -18.166 2.183 1.00 34.32 C ATOM 520 CD2 PHE A 32 9.777 -18.842 0.145 1.00 25.20 C ATOM 521 CE1 PHE A 32 12.051 -18.194 1.567 1.00 31.04 C ATOM 522 CE2 PHE A 32 11.011 -18.872 -0.476 1.00 15.23 C ATOM 523 CZ PHE A 32 12.150 -18.549 0.235 1.00 34.24 C ATOM 0 H PHE A 32 6.486 -20.196 3.364 1.00 21.34 H new ATOM 0 HA PHE A 32 9.319 -19.451 3.775 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.586 -18.924 1.499 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.016 -17.418 2.287 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.743 -17.890 3.225 1.00 34.32 H new ATOM 0 HD2 PHE A 32 8.890 -19.097 -0.416 1.00 25.20 H new ATOM 0 HE1 PHE A 32 12.939 -17.939 2.126 1.00 31.04 H new ATOM 0 HE2 PHE A 32 11.085 -19.148 -1.518 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.115 -18.574 -0.249 1.00 34.24 H new ATOM 533 N ARG A 33 8.602 -17.947 5.589 1.00 2.52 N ATOM 534 CA ARG A 33 8.221 -17.056 6.678 1.00 14.43 C ATOM 535 C ARG A 33 8.906 -15.700 6.536 1.00 75.14 C ATOM 536 O ARG A 33 10.115 -15.624 6.316 1.00 61.42 O ATOM 537 CB ARG A 33 8.581 -17.683 8.028 1.00 2.14 C ATOM 538 CG ARG A 33 7.829 -18.971 8.321 1.00 20.25 C ATOM 539 CD ARG A 33 6.426 -18.692 8.836 1.00 10.22 C ATOM 540 NE ARG A 33 5.647 -19.918 8.992 1.00 11.44 N ATOM 541 CZ ARG A 33 5.863 -20.808 9.954 1.00 10.32 C ATOM 542 NH1 ARG A 33 6.829 -20.610 10.840 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 5.112 -21.899 10.030 1.00 25.32 N ATOM 0 H ARG A 33 9.540 -18.339 5.673 1.00 2.52 H new ATOM 0 HA ARG A 33 7.142 -16.905 6.631 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.652 -17.884 8.052 1.00 2.14 H new ATOM 0 HB3 ARG A 33 8.374 -16.963 8.820 1.00 2.14 H new ATOM 0 HG2 ARG A 33 7.772 -19.574 7.415 1.00 20.25 H new ATOM 0 HG3 ARG A 33 8.379 -19.555 9.059 1.00 20.25 H new ATOM 0 HD2 ARG A 33 6.487 -18.177 9.795 1.00 10.22 H new ATOM 0 HD3 ARG A 33 5.913 -18.022 8.146 1.00 10.22 H new ATOM 0 HE ARG A 33 4.896 -20.100 8.326 1.00 11.44 H new ATOM 0 HH11 ARG A 33 7.409 -19.773 10.784 1.00 23.32 H new ATOM 0 HH12 ARG A 33 6.993 -21.295 11.578 1.00 23.32 H new ATOM 0 HH21 ARG A 33 4.368 -22.055 9.349 1.00 25.32 H new ATOM 0 HH22 ARG A 33 5.278 -22.582 10.769 1.00 25.32 H new ATOM 557 N ILE A 34 8.125 -14.633 6.663 1.00 62.22 N ATOM 558 CA ILE A 34 8.656 -13.281 6.548 1.00 24.14 C ATOM 559 C ILE A 34 8.629 -12.564 7.894 1.00 22.22 C ATOM 560 O ILE A 34 7.643 -11.913 8.244 1.00 15.22 O ATOM 561 CB ILE A 34 7.865 -12.450 5.520 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.927 -13.111 4.142 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.407 -11.029 5.458 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.328 -13.489 3.716 1.00 0.34 C ATOM 0 H ILE A 34 7.123 -14.679 6.846 1.00 62.22 H new ATOM 0 HA ILE A 34 9.688 -13.375 6.209 1.00 24.14 H new ATOM 0 HB ILE A 34 6.822 -12.406 5.834 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.304 -14.006 4.149 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.502 -12.432 3.403 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.838 -10.454 4.727 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.315 -10.562 6.438 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.456 -11.052 5.164 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.296 -13.952 2.730 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.950 -12.595 3.677 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.749 -14.193 4.434 1.00 0.34 H new ATOM 576 N THR A 35 9.718 -12.687 8.646 1.00 73.35 N ATOM 577 CA THR A 35 9.819 -12.050 9.953 1.00 10.14 C ATOM 578 C THR A 35 10.610 -10.749 9.873 1.00 21.43 C ATOM 579 O THR A 35 11.226 -10.451 8.850 1.00 61.13 O ATOM 580 CB THR A 35 10.490 -12.981 10.981 1.00 42.42 C ATOM 581 OG1 THR A 35 11.908 -12.991 10.781 1.00 61.24 O ATOM 582 CG2 THR A 35 9.946 -14.398 10.864 1.00 21.42 C ATOM 0 H THR A 35 10.542 -13.222 8.372 1.00 73.35 H new ATOM 0 HA THR A 35 8.801 -11.834 10.277 1.00 10.14 H new ATOM 0 HB THR A 35 10.267 -12.604 11.979 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.327 -13.584 11.439 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.434 -15.037 11.600 1.00 21.42 H new ATOM 0 HG22 THR A 35 8.871 -14.391 11.046 1.00 21.42 H new ATOM 0 HG23 THR A 35 10.142 -14.782 9.863 1.00 21.42 H new ATOM 590 N GLN A 36 10.587 -9.980 10.956 1.00 63.41 N ATOM 591 CA GLN A 36 11.302 -8.710 11.005 1.00 14.20 C ATOM 592 C GLN A 36 12.013 -8.537 12.343 1.00 45.14 C ATOM 593 O GLN A 36 11.403 -8.144 13.336 1.00 5.11 O ATOM 594 CB GLN A 36 10.335 -7.547 10.775 1.00 55.11 C ATOM 595 CG GLN A 36 8.962 -7.766 11.388 1.00 62.44 C ATOM 596 CD GLN A 36 8.309 -6.473 11.834 1.00 40.34 C ATOM 597 OE1 GLN A 36 8.040 -6.277 13.020 1.00 43.51 O ATOM 598 NE2 GLN A 36 8.049 -5.582 10.884 1.00 20.34 N ATOM 0 H GLN A 36 10.082 -10.213 11.811 1.00 63.41 H new ATOM 0 HA GLN A 36 12.051 -8.713 10.213 1.00 14.20 H new ATOM 0 HB2 GLN A 36 10.768 -6.638 11.191 1.00 55.11 H new ATOM 0 HB3 GLN A 36 10.223 -7.385 9.703 1.00 55.11 H new ATOM 0 HG2 GLN A 36 8.319 -8.262 10.661 1.00 62.44 H new ATOM 0 HG3 GLN A 36 9.053 -8.436 12.243 1.00 62.44 H new ATOM 0 HE21 GLN A 36 8.289 -5.786 9.914 1.00 20.34 H new ATOM 0 HE22 GLN A 36 7.609 -4.694 11.125 1.00 20.34 H new ATOM 607 N GLY A 37 13.308 -8.836 12.362 1.00 64.45 N ATOM 608 CA GLY A 37 14.081 -8.708 13.584 1.00 34.24 C ATOM 609 C GLY A 37 14.164 -10.010 14.357 1.00 24.32 C ATOM 610 O GLY A 37 15.240 -10.411 14.796 1.00 10.20 O ATOM 0 H GLY A 37 13.836 -9.165 11.553 1.00 64.45 H new ATOM 0 HA2 GLY A 37 15.088 -8.369 13.340 1.00 34.24 H new ATOM 0 HA3 GLY A 37 13.632 -7.942 14.216 1.00 34.24 H new ATOM 614 N GLY A 38 13.022 -10.671 14.524 1.00 74.12 N ATOM 615 CA GLY A 38 12.991 -11.926 15.250 1.00 13.31 C ATOM 616 C GLY A 38 11.603 -12.531 15.305 1.00 0.22 C ATOM 617 O GLY A 38 11.449 -13.752 15.329 1.00 3.34 O ATOM 0 H GLY A 38 12.118 -10.359 14.169 1.00 74.12 H new ATOM 0 HA2 GLY A 38 13.673 -12.632 14.777 1.00 13.31 H new ATOM 0 HA3 GLY A 38 13.353 -11.764 16.265 1.00 13.31 H new ATOM 621 N LYS A 39 10.586 -11.675 15.326 1.00 34.44 N ATOM 622 CA LYS A 39 9.202 -12.130 15.378 1.00 44.41 C ATOM 623 C LYS A 39 8.576 -12.129 13.987 1.00 41.22 C ATOM 624 O LYS A 39 8.867 -11.259 13.165 1.00 21.13 O ATOM 625 CB LYS A 39 8.386 -11.240 16.318 1.00 12.35 C ATOM 626 CG LYS A 39 7.920 -11.950 17.577 1.00 61.01 C ATOM 627 CD LYS A 39 6.473 -11.621 17.900 1.00 62.52 C ATOM 628 CE LYS A 39 5.516 -12.579 17.208 1.00 2.21 C ATOM 629 NZ LYS A 39 5.287 -13.811 18.012 1.00 31.32 N1+ ATOM 0 H LYS A 39 10.695 -10.661 15.308 1.00 34.44 H new ATOM 0 HA LYS A 39 9.195 -13.151 15.759 1.00 44.41 H new ATOM 0 HB2 LYS A 39 8.988 -10.376 16.600 1.00 12.35 H new ATOM 0 HB3 LYS A 39 7.516 -10.861 15.782 1.00 12.35 H new ATOM 0 HG2 LYS A 39 8.029 -13.027 17.450 1.00 61.01 H new ATOM 0 HG3 LYS A 39 8.555 -11.662 18.415 1.00 61.01 H new ATOM 0 HD2 LYS A 39 6.320 -11.668 18.978 1.00 62.52 H new ATOM 0 HD3 LYS A 39 6.253 -10.599 17.591 1.00 62.52 H new ATOM 0 HE2 LYS A 39 4.564 -12.078 17.032 1.00 2.21 H new ATOM 0 HE3 LYS A 39 5.918 -12.852 16.232 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 4.629 -14.438 17.506 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 6.191 -14.303 18.158 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 4.880 -13.553 18.934 1.00 31.32 H new ATOM 643 N VAL A 40 7.713 -13.106 13.730 1.00 13.33 N ATOM 644 CA VAL A 40 7.044 -13.217 12.439 1.00 41.44 C ATOM 645 C VAL A 40 5.937 -12.177 12.305 1.00 63.31 C ATOM 646 O VAL A 40 5.267 -11.837 13.280 1.00 63.13 O ATOM 647 CB VAL A 40 6.443 -14.620 12.236 1.00 45.24 C ATOM 648 CG1 VAL A 40 6.085 -14.841 10.774 1.00 55.31 C ATOM 649 CG2 VAL A 40 7.410 -15.688 12.724 1.00 51.40 C ATOM 0 H VAL A 40 7.460 -13.833 14.399 1.00 13.33 H new ATOM 0 HA VAL A 40 7.800 -13.041 11.674 1.00 41.44 H new ATOM 0 HB VAL A 40 5.528 -14.694 12.824 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.662 -15.838 10.650 1.00 55.31 H new ATOM 0 HG12 VAL A 40 5.354 -14.095 10.462 1.00 55.31 H new ATOM 0 HG13 VAL A 40 6.982 -14.749 10.162 1.00 55.31 H new ATOM 0 HG21 VAL A 40 6.970 -16.674 12.573 1.00 51.40 H new ATOM 0 HG22 VAL A 40 8.343 -15.618 12.164 1.00 51.40 H new ATOM 0 HG23 VAL A 40 7.612 -15.539 13.785 1.00 51.40 H new ATOM 659 N VAL A 41 5.749 -11.675 11.088 1.00 34.35 N ATOM 660 CA VAL A 41 4.721 -10.676 10.824 1.00 44.34 C ATOM 661 C VAL A 41 3.762 -11.146 9.738 1.00 12.15 C ATOM 662 O VAL A 41 2.620 -10.692 9.661 1.00 4.11 O ATOM 663 CB VAL A 41 5.342 -9.331 10.400 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.888 -8.589 11.609 1.00 40.14 C ATOM 665 CG2 VAL A 41 6.431 -9.553 9.361 1.00 22.42 C ATOM 0 H VAL A 41 6.295 -11.944 10.270 1.00 34.35 H new ATOM 0 HA VAL A 41 4.170 -10.536 11.754 1.00 44.34 H new ATOM 0 HB VAL A 41 4.563 -8.716 9.950 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.322 -7.642 11.289 1.00 40.14 H new ATOM 0 HG12 VAL A 41 5.079 -8.397 12.314 1.00 40.14 H new ATOM 0 HG13 VAL A 41 6.655 -9.195 12.092 1.00 40.14 H new ATOM 0 HG21 VAL A 41 6.859 -8.593 9.072 1.00 22.42 H new ATOM 0 HG22 VAL A 41 7.212 -10.187 9.782 1.00 22.42 H new ATOM 0 HG23 VAL A 41 6.003 -10.038 8.484 1.00 22.42 H new ATOM 675 N LYS A 42 4.233 -12.061 8.897 1.00 42.43 N ATOM 676 CA LYS A 42 3.418 -12.597 7.813 1.00 33.55 C ATOM 677 C LYS A 42 3.951 -13.948 7.347 1.00 43.41 C ATOM 678 O LYS A 42 5.137 -14.242 7.495 1.00 1.03 O ATOM 679 CB LYS A 42 3.386 -11.617 6.638 1.00 52.12 C ATOM 680 CG LYS A 42 1.982 -11.234 6.203 1.00 64.32 C ATOM 681 CD LYS A 42 1.630 -9.820 6.635 1.00 52.31 C ATOM 682 CE LYS A 42 0.616 -9.820 7.769 1.00 23.22 C ATOM 683 NZ LYS A 42 -0.777 -9.667 7.268 1.00 13.02 N1+ ATOM 0 H LYS A 42 5.176 -12.447 8.946 1.00 42.43 H new ATOM 0 HA LYS A 42 2.405 -12.737 8.190 1.00 33.55 H new ATOM 0 HB2 LYS A 42 3.931 -10.714 6.914 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.911 -12.060 5.792 1.00 52.12 H new ATOM 0 HG2 LYS A 42 1.901 -11.315 5.119 1.00 64.32 H new ATOM 0 HG3 LYS A 42 1.264 -11.935 6.629 1.00 64.32 H new ATOM 0 HD2 LYS A 42 2.534 -9.300 6.953 1.00 52.31 H new ATOM 0 HD3 LYS A 42 1.227 -9.268 5.785 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.700 -10.750 8.331 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.844 -9.009 8.460 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.437 -9.672 8.071 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -0.864 -8.767 6.754 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.004 -10.455 6.628 1.00 13.02 H new ATOM 697 N ASN A 43 3.068 -14.765 6.782 1.00 34.54 N ATOM 698 CA ASN A 43 3.452 -16.085 6.294 1.00 55.25 C ATOM 699 C ASN A 43 3.427 -16.129 4.769 1.00 40.53 C ATOM 700 O ASN A 43 2.772 -15.309 4.125 1.00 31.40 O ATOM 701 CB ASN A 43 2.516 -17.153 6.862 1.00 53.41 C ATOM 702 CG ASN A 43 1.470 -16.571 7.793 1.00 44.33 C ATOM 703 OD1 ASN A 43 0.328 -16.338 7.396 1.00 24.42 O ATOM 704 ND2 ASN A 43 1.857 -16.332 9.041 1.00 72.11 N ATOM 0 H ASN A 43 2.083 -14.537 6.651 1.00 34.54 H new ATOM 0 HA ASN A 43 4.469 -16.288 6.629 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.020 -17.671 6.041 1.00 53.41 H new ATOM 0 HB3 ASN A 43 3.103 -17.897 7.400 1.00 53.41 H new ATOM 0 HD21 ASN A 43 1.198 -15.940 9.713 1.00 72.11 H new ATOM 0 HD22 ASN A 43 2.814 -16.540 9.327 1.00 72.11 H new ATOM 711 N TRP A 44 4.142 -17.092 4.200 1.00 22.12 N ATOM 712 CA TRP A 44 4.201 -17.244 2.750 1.00 23.21 C ATOM 713 C TRP A 44 4.246 -18.717 2.359 1.00 15.33 C ATOM 714 O TRP A 44 4.935 -19.517 2.992 1.00 44.21 O ATOM 715 CB TRP A 44 5.426 -16.517 2.190 1.00 45.14 C ATOM 716 CG TRP A 44 5.076 -15.333 1.341 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.902 -15.318 -0.013 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.862 -13.990 1.790 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.592 -14.047 -0.433 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.560 -13.214 0.653 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.894 -13.368 3.041 1.00 55.22 C ATOM 722 CZ2 TRP A 44 4.294 -11.850 0.733 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.630 -12.014 3.118 1.00 62.30 C ATOM 724 CH2 TRP A 44 4.332 -11.268 1.970 1.00 1.02 C ATOM 0 H TRP A 44 4.689 -17.779 4.719 1.00 22.12 H new ATOM 0 HA TRP A 44 3.299 -16.802 2.326 1.00 23.21 H new ATOM 0 HB2 TRP A 44 6.055 -16.189 3.018 1.00 45.14 H new ATOM 0 HB3 TRP A 44 6.017 -17.217 1.599 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.994 -16.179 -0.659 1.00 73.33 H new ATOM 0 HE1 TRP A 44 4.414 -13.769 -1.398 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.121 -13.935 3.931 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 4.066 -11.272 -0.150 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.654 -11.522 4.079 1.00 62.30 H new ATOM 0 HH2 TRP A 44 4.128 -10.212 2.064 1.00 1.02 H new ATOM 735 N VAL A 45 3.506 -19.069 1.311 1.00 5.25 N ATOM 736 CA VAL A 45 3.463 -20.446 0.834 1.00 60.54 C ATOM 737 C VAL A 45 3.941 -20.543 -0.610 1.00 5.42 C ATOM 738 O VAL A 45 3.671 -19.661 -1.424 1.00 33.13 O ATOM 739 CB VAL A 45 2.042 -21.029 0.933 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.000 -22.436 0.355 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.563 -21.023 2.377 1.00 33.43 C ATOM 0 H VAL A 45 2.929 -18.419 0.777 1.00 5.25 H new ATOM 0 HA VAL A 45 4.130 -21.024 1.474 1.00 60.54 H new ATOM 0 HB VAL A 45 1.369 -20.401 0.348 1.00 52.33 H new ATOM 0 HG11 VAL A 45 0.987 -22.832 0.434 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.298 -22.408 -0.693 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.684 -23.078 0.910 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.557 -21.439 2.428 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.236 -21.626 2.986 1.00 33.43 H new ATOM 0 HG23 VAL A 45 1.553 -20.000 2.753 1.00 33.43 H new ATOM 751 N MET A 46 4.652 -21.621 -0.922 1.00 62.23 N ATOM 752 CA MET A 46 5.166 -21.835 -2.269 1.00 35.14 C ATOM 753 C MET A 46 4.292 -22.823 -3.034 1.00 72.04 C ATOM 754 O MET A 46 4.448 -24.037 -2.902 1.00 51.41 O ATOM 755 CB MET A 46 6.607 -22.347 -2.213 1.00 33.01 C ATOM 756 CG MET A 46 7.485 -21.815 -3.334 1.00 43.13 C ATOM 757 SD MET A 46 8.529 -20.443 -2.807 1.00 65.24 S ATOM 758 CE MET A 46 10.088 -21.285 -2.544 1.00 25.52 C ATOM 0 H MET A 46 4.885 -22.361 -0.259 1.00 62.23 H new ATOM 0 HA MET A 46 5.148 -20.880 -2.794 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.046 -22.068 -1.255 1.00 33.01 H new ATOM 0 HB3 MET A 46 6.599 -23.436 -2.255 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.114 -22.621 -3.711 1.00 43.13 H new ATOM 0 HG3 MET A 46 6.854 -21.490 -4.161 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.904 -20.661 -2.907 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.223 -21.476 -1.479 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.086 -22.231 -3.085 1.00 25.52 H new ATOM 768 N ASP A 47 3.372 -22.296 -3.835 1.00 71.12 N ATOM 769 CA ASP A 47 2.473 -23.132 -4.622 1.00 32.40 C ATOM 770 C ASP A 47 3.188 -23.693 -5.847 1.00 53.15 C ATOM 771 O ASP A 47 3.104 -23.130 -6.940 1.00 2.25 O ATOM 772 CB ASP A 47 1.245 -22.330 -5.055 1.00 13.44 C ATOM 773 CG ASP A 47 -0.016 -23.172 -5.081 1.00 55.42 C ATOM 774 OD1 ASP A 47 -0.059 -24.151 -5.857 1.00 72.40 O ATOM 775 OD2 ASP A 47 -0.958 -22.853 -4.327 1.00 11.32 O1- ATOM 0 H ASP A 47 3.229 -21.293 -3.956 1.00 71.12 H new ATOM 0 HA ASP A 47 2.151 -23.965 -3.998 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.104 -21.491 -4.374 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.419 -21.911 -6.046 1.00 13.44 H new ATOM 780 N LEU A 48 3.890 -24.805 -5.660 1.00 3.45 N ATOM 781 CA LEU A 48 4.620 -25.442 -6.750 1.00 34.13 C ATOM 782 C LEU A 48 3.677 -26.247 -7.639 1.00 74.54 C ATOM 783 O LEU A 48 4.071 -26.733 -8.700 1.00 65.54 O ATOM 784 CB LEU A 48 5.715 -26.352 -6.192 1.00 41.41 C ATOM 785 CG LEU A 48 6.953 -25.650 -5.634 1.00 71.10 C ATOM 786 CD1 LEU A 48 6.723 -25.232 -4.189 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.174 -26.551 -5.742 1.00 24.33 C ATOM 0 H LEU A 48 3.969 -25.284 -4.763 1.00 3.45 H new ATOM 0 HA LEU A 48 5.079 -24.660 -7.354 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.282 -26.964 -5.401 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.033 -27.031 -6.983 1.00 41.41 H new ATOM 0 HG LEU A 48 7.136 -24.754 -6.227 1.00 71.10 H new ATOM 0 HD11 LEU A 48 7.615 -24.734 -3.808 1.00 72.14 H new ATOM 0 HD12 LEU A 48 5.876 -24.548 -4.139 1.00 72.14 H new ATOM 0 HD13 LEU A 48 6.514 -26.114 -3.584 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.045 -26.033 -5.340 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.002 -27.466 -5.176 1.00 24.33 H new ATOM 0 HD23 LEU A 48 8.351 -26.800 -6.788 1.00 24.33 H new ATOM 799 N LYS A 49 2.430 -26.382 -7.201 1.00 53.41 N ATOM 800 CA LYS A 49 1.429 -27.125 -7.957 1.00 44.45 C ATOM 801 C LYS A 49 0.794 -26.245 -9.030 1.00 13.33 C ATOM 802 O LYS A 49 0.809 -26.584 -10.212 1.00 1.23 O ATOM 803 CB LYS A 49 0.347 -27.664 -7.019 1.00 43.22 C ATOM 804 CG LYS A 49 0.503 -29.140 -6.696 1.00 30.32 C ATOM 805 CD LYS A 49 -0.469 -29.579 -5.613 1.00 53.45 C ATOM 806 CE LYS A 49 -0.296 -31.052 -5.273 1.00 64.21 C ATOM 807 NZ LYS A 49 -0.115 -31.266 -3.810 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.088 -25.986 -6.325 1.00 53.41 H new ATOM 0 HA LYS A 49 1.927 -27.962 -8.446 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.366 -27.093 -6.090 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.630 -27.501 -7.474 1.00 43.22 H new ATOM 0 HG2 LYS A 49 0.336 -29.730 -7.597 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.525 -29.336 -6.371 1.00 30.32 H new ATOM 0 HD2 LYS A 49 -0.314 -28.977 -4.718 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -1.491 -29.399 -5.945 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -1.168 -31.609 -5.616 1.00 64.21 H new ATOM 0 HE3 LYS A 49 0.567 -31.449 -5.808 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -0.001 -32.282 -3.619 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 0.731 -30.755 -3.487 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -0.949 -30.910 -3.301 1.00 62.40 H new ATOM 821 N ASN A 50 0.240 -25.113 -8.608 1.00 2.35 N ATOM 822 CA ASN A 50 -0.399 -24.184 -9.534 1.00 41.40 C ATOM 823 C ASN A 50 0.625 -23.229 -10.139 1.00 40.41 C ATOM 824 O ASN A 50 0.296 -22.414 -11.001 1.00 2.41 O ATOM 825 CB ASN A 50 -1.493 -23.390 -8.817 1.00 14.33 C ATOM 826 CG ASN A 50 -2.762 -24.196 -8.624 1.00 4.31 C ATOM 827 OD1 ASN A 50 -3.098 -24.588 -7.507 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.473 -24.450 -9.717 1.00 4.23 N ATOM 0 H ASN A 50 0.220 -24.817 -7.632 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.849 -24.764 -10.340 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -1.123 -23.063 -7.845 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -1.721 -22.491 -9.390 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.336 -24.990 -9.650 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -3.156 -24.105 -10.623 1.00 4.23 H new ATOM 835 N VAL A 51 1.869 -23.337 -9.683 1.00 64.11 N ATOM 836 CA VAL A 51 2.942 -22.485 -10.181 1.00 54.52 C ATOM 837 C VAL A 51 2.754 -21.041 -9.726 1.00 42.10 C ATOM 838 O VAL A 51 2.825 -20.112 -10.530 1.00 10.33 O ATOM 839 CB VAL A 51 3.020 -22.521 -11.719 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.355 -21.972 -12.199 1.00 71.12 C ATOM 841 CG2 VAL A 51 2.802 -23.938 -12.229 1.00 50.43 C ATOM 0 H VAL A 51 2.158 -24.006 -8.970 1.00 64.11 H new ATOM 0 HA VAL A 51 3.873 -22.875 -9.768 1.00 54.52 H new ATOM 0 HB VAL A 51 2.229 -21.888 -12.121 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.392 -22.005 -13.288 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.466 -20.941 -11.864 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.165 -22.576 -11.790 1.00 71.12 H new ATOM 0 HG21 VAL A 51 2.860 -23.946 -13.317 1.00 50.43 H new ATOM 0 HG22 VAL A 51 3.570 -24.594 -11.820 1.00 50.43 H new ATOM 0 HG23 VAL A 51 1.819 -24.290 -11.916 1.00 50.43 H new ATOM 851 N LYS A 52 2.513 -20.861 -8.432 1.00 54.43 N ATOM 852 CA LYS A 52 2.316 -19.531 -7.868 1.00 32.42 C ATOM 853 C LYS A 52 2.831 -19.467 -6.434 1.00 50.21 C ATOM 854 O LYS A 52 3.187 -20.488 -5.845 1.00 11.15 O ATOM 855 CB LYS A 52 0.833 -19.154 -7.907 1.00 21.22 C ATOM 856 CG LYS A 52 0.476 -18.208 -9.041 1.00 10.13 C ATOM 857 CD LYS A 52 -0.914 -17.622 -8.861 1.00 32.21 C ATOM 858 CE LYS A 52 -1.947 -18.375 -9.684 1.00 73.31 C ATOM 859 NZ LYS A 52 -3.181 -17.570 -9.899 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.449 -21.620 -7.754 1.00 54.43 H new ATOM 0 HA LYS A 52 2.882 -18.820 -8.470 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.238 -20.062 -8.002 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.559 -18.691 -6.959 1.00 21.22 H new ATOM 0 HG2 LYS A 52 1.208 -17.402 -9.088 1.00 10.13 H new ATOM 0 HG3 LYS A 52 0.527 -18.741 -9.990 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -1.191 -17.657 -7.807 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -0.908 -16.572 -9.155 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -1.517 -18.644 -10.649 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -2.205 -19.306 -9.179 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -3.860 -18.119 -10.464 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -3.607 -17.335 -8.980 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -2.940 -16.693 -10.404 1.00 35.03 H new ATOM 873 N LEU A 53 2.865 -18.262 -5.876 1.00 61.23 N ATOM 874 CA LEU A 53 3.334 -18.064 -4.510 1.00 12.34 C ATOM 875 C LEU A 53 2.358 -17.201 -3.717 1.00 64.35 C ATOM 876 O LEU A 53 2.357 -15.976 -3.838 1.00 64.45 O ATOM 877 CB LEU A 53 4.720 -17.414 -4.514 1.00 22.14 C ATOM 878 CG LEU A 53 5.893 -18.334 -4.174 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.293 -19.159 -5.388 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.077 -17.522 -3.666 1.00 42.33 C ATOM 0 H LEU A 53 2.573 -17.407 -6.349 1.00 61.23 H new ATOM 0 HA LEU A 53 3.398 -19.041 -4.030 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.895 -16.984 -5.500 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.714 -16.588 -3.803 1.00 22.14 H new ATOM 0 HG LEU A 53 5.579 -19.016 -3.384 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.129 -19.808 -5.127 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.448 -19.768 -5.709 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.589 -18.493 -6.199 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.903 -18.192 -3.429 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.392 -16.817 -4.435 1.00 42.33 H new ATOM 0 HD23 LEU A 53 6.785 -16.975 -2.770 1.00 42.33 H new ATOM 892 N VAL A 54 1.528 -17.848 -2.905 1.00 5.45 N ATOM 893 CA VAL A 54 0.549 -17.140 -2.091 1.00 41.23 C ATOM 894 C VAL A 54 1.056 -16.947 -0.665 1.00 45.12 C ATOM 895 O VAL A 54 2.150 -17.393 -0.320 1.00 72.40 O ATOM 896 CB VAL A 54 -0.794 -17.891 -2.048 1.00 72.04 C ATOM 897 CG1 VAL A 54 -1.202 -18.336 -3.444 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.709 -19.082 -1.105 1.00 11.01 C ATOM 0 H VAL A 54 1.515 -18.862 -2.794 1.00 5.45 H new ATOM 0 HA VAL A 54 0.397 -16.166 -2.555 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.558 -17.211 -1.671 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -2.154 -18.865 -3.394 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -1.306 -17.463 -4.088 1.00 71.10 H new ATOM 0 HG13 VAL A 54 -0.439 -18.999 -3.852 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.667 -19.601 -1.087 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.067 -19.765 -1.450 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.466 -18.734 -0.101 1.00 11.01 H new ATOM 908 N GLU A 55 0.252 -16.280 0.157 1.00 21.23 N ATOM 909 CA GLU A 55 0.621 -16.028 1.545 1.00 34.21 C ATOM 910 C GLU A 55 -0.241 -16.855 2.496 1.00 31.12 C ATOM 911 O GLU A 55 -1.449 -16.641 2.600 1.00 24.40 O ATOM 912 CB GLU A 55 0.476 -14.540 1.872 1.00 60.31 C ATOM 913 CG GLU A 55 -0.839 -13.939 1.408 1.00 21.34 C ATOM 914 CD GLU A 55 -0.730 -13.277 0.049 1.00 40.15 C ATOM 915 OE1 GLU A 55 0.137 -13.694 -0.747 1.00 73.52 O1- ATOM 916 OE2 GLU A 55 -1.512 -12.340 -0.220 1.00 15.53 O ATOM 0 H GLU A 55 -0.657 -15.905 -0.113 1.00 21.23 H new ATOM 0 HA GLU A 55 1.662 -16.322 1.677 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.568 -14.403 2.949 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.298 -13.994 1.410 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.597 -14.721 1.367 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.177 -13.205 2.140 1.00 21.34 H new ATOM 923 N SER A 56 0.389 -17.800 3.187 1.00 73.41 N ATOM 924 CA SER A 56 -0.319 -18.662 4.125 1.00 43.24 C ATOM 925 C SER A 56 0.662 -19.436 4.999 1.00 1.33 C ATOM 926 O SER A 56 1.860 -19.476 4.720 1.00 11.10 O ATOM 927 CB SER A 56 -1.225 -19.637 3.369 1.00 44.34 C ATOM 928 OG SER A 56 -2.571 -19.193 3.378 1.00 12.25 O ATOM 0 H SER A 56 1.389 -17.988 3.114 1.00 73.41 H new ATOM 0 HA SER A 56 -0.932 -18.031 4.769 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.879 -19.737 2.340 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.162 -20.625 3.825 1.00 44.34 H new ATOM 0 HG SER A 56 -2.606 -18.249 3.117 1.00 12.25 H new ATOM 934 N ASP A 57 0.145 -20.047 6.059 1.00 31.32 N ATOM 935 CA ASP A 57 0.975 -20.821 6.975 1.00 71.22 C ATOM 936 C ASP A 57 0.428 -22.235 7.142 1.00 51.13 C ATOM 937 O ASP A 57 -0.691 -22.427 7.620 1.00 50.20 O ATOM 938 CB ASP A 57 1.052 -20.127 8.337 1.00 63.23 C ATOM 939 CG ASP A 57 -0.228 -19.394 8.686 1.00 3.54 C ATOM 940 OD1 ASP A 57 -1.317 -19.917 8.368 1.00 2.01 O1- ATOM 941 OD2 ASP A 57 -0.142 -18.297 9.276 1.00 34.13 O ATOM 0 H ASP A 57 -0.844 -20.021 6.305 1.00 31.32 H new ATOM 0 HA ASP A 57 1.977 -20.886 6.551 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.265 -20.868 9.108 1.00 63.23 H new ATOM 0 HB3 ASP A 57 1.883 -19.421 8.336 1.00 63.23 H new ATOM 946 N ASP A 58 1.222 -23.223 6.744 1.00 42.15 N ATOM 947 CA ASP A 58 0.818 -24.619 6.848 1.00 13.22 C ATOM 948 C ASP A 58 2.033 -25.524 7.032 1.00 50.02 C ATOM 949 O ASP A 58 3.167 -25.114 6.790 1.00 32.03 O ATOM 950 CB ASP A 58 0.037 -25.041 5.603 1.00 32.33 C ATOM 951 CG ASP A 58 -0.783 -23.905 5.021 1.00 34.24 C ATOM 952 OD1 ASP A 58 -1.846 -23.588 5.594 1.00 21.22 O1- ATOM 953 OD2 ASP A 58 -0.361 -23.335 3.994 1.00 62.33 O ATOM 0 H ASP A 58 2.150 -23.082 6.346 1.00 42.15 H new ATOM 0 HA ASP A 58 0.175 -24.721 7.722 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.733 -25.407 4.848 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.624 -25.870 5.856 1.00 32.33 H new ATOM 958 N ALA A 59 1.785 -26.757 7.462 1.00 54.42 N ATOM 959 CA ALA A 59 2.859 -27.721 7.678 1.00 64.04 C ATOM 960 C ALA A 59 3.458 -28.179 6.353 1.00 23.53 C ATOM 961 O ALA A 59 2.977 -29.132 5.740 1.00 64.14 O ATOM 962 CB ALA A 59 2.344 -28.914 8.468 1.00 20.01 C ATOM 0 H ALA A 59 0.851 -27.112 7.668 1.00 54.42 H new ATOM 0 HA ALA A 59 3.646 -27.231 8.252 1.00 64.04 H new ATOM 0 HB1 ALA A 59 3.155 -29.626 8.622 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.969 -28.576 9.434 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.538 -29.396 7.915 1.00 20.01 H new ATOM 968 N ALA A 60 4.511 -27.495 5.917 1.00 25.42 N ATOM 969 CA ALA A 60 5.177 -27.834 4.666 1.00 52.24 C ATOM 970 C ALA A 60 6.329 -28.805 4.901 1.00 52.10 C ATOM 971 O ALA A 60 6.857 -28.898 6.009 1.00 32.51 O ATOM 972 CB ALA A 60 5.682 -26.573 3.978 1.00 60.25 C ATOM 0 H ALA A 60 4.921 -26.703 6.412 1.00 25.42 H new ATOM 0 HA ALA A 60 4.449 -28.324 4.019 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.177 -26.841 3.045 1.00 60.25 H new ATOM 0 HB2 ALA A 60 4.841 -25.913 3.766 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.390 -26.061 4.630 1.00 60.25 H new ATOM 978 N GLU A 61 6.710 -29.530 3.854 1.00 12.15 N ATOM 979 CA GLU A 61 7.798 -30.496 3.950 1.00 60.24 C ATOM 980 C GLU A 61 9.119 -29.799 4.263 1.00 60.45 C ATOM 981 O GLU A 61 10.033 -30.403 4.824 1.00 34.32 O ATOM 982 CB GLU A 61 7.922 -31.288 2.647 1.00 40.01 C ATOM 983 CG GLU A 61 8.211 -32.765 2.857 1.00 60.43 C ATOM 984 CD GLU A 61 9.640 -33.024 3.291 1.00 63.55 C ATOM 985 OE1 GLU A 61 10.563 -32.731 2.503 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 9.836 -33.520 4.421 1.00 10.35 O ATOM 0 H GLU A 61 6.282 -29.467 2.930 1.00 12.15 H new ATOM 0 HA GLU A 61 7.569 -31.183 4.764 1.00 60.24 H new ATOM 0 HB2 GLU A 61 6.997 -31.185 2.080 1.00 40.01 H new ATOM 0 HB3 GLU A 61 8.718 -30.853 2.042 1.00 40.01 H new ATOM 0 HG2 GLU A 61 7.529 -33.161 3.610 1.00 60.43 H new ATOM 0 HG3 GLU A 61 8.013 -33.305 1.931 1.00 60.43 H new ATOM 993 N ALA A 62 9.211 -28.525 3.895 1.00 4.02 N ATOM 994 CA ALA A 62 10.418 -27.745 4.138 1.00 60.23 C ATOM 995 C ALA A 62 10.075 -26.339 4.615 1.00 52.32 C ATOM 996 O ALA A 62 9.346 -25.604 3.948 1.00 12.21 O ATOM 997 CB ALA A 62 11.268 -27.685 2.878 1.00 14.02 C ATOM 0 H ALA A 62 8.464 -28.011 3.428 1.00 4.02 H new ATOM 0 HA ALA A 62 10.989 -28.238 4.925 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.167 -27.100 3.073 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.550 -28.695 2.581 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.697 -27.217 2.076 1.00 14.02 H new ATOM 1003 N THR A 63 10.607 -25.966 5.776 1.00 64.23 N ATOM 1004 CA THR A 63 10.356 -24.648 6.344 1.00 11.41 C ATOM 1005 C THR A 63 11.526 -23.706 6.085 1.00 73.24 C ATOM 1006 O THR A 63 12.671 -24.013 6.423 1.00 53.04 O ATOM 1007 CB THR A 63 10.104 -24.728 7.862 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.894 -25.451 8.119 1.00 62.11 O ATOM 1009 CG2 THR A 63 10.009 -23.337 8.469 1.00 45.10 C ATOM 0 H THR A 63 11.215 -26.559 6.341 1.00 64.23 H new ATOM 0 HA THR A 63 9.463 -24.259 5.855 1.00 11.41 H new ATOM 0 HB THR A 63 10.944 -25.250 8.321 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.741 -25.499 9.086 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.831 -23.419 9.541 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.942 -22.800 8.296 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.186 -22.793 8.005 1.00 45.10 H new ATOM 1017 N LEU A 64 11.234 -22.559 5.483 1.00 31.21 N ATOM 1018 CA LEU A 64 12.262 -21.570 5.178 1.00 23.22 C ATOM 1019 C LEU A 64 11.912 -20.215 5.784 1.00 10.31 C ATOM 1020 O LEU A 64 11.028 -19.511 5.292 1.00 34.35 O ATOM 1021 CB LEU A 64 12.436 -21.434 3.665 1.00 42.20 C ATOM 1022 CG LEU A 64 13.091 -22.621 2.955 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.054 -23.418 2.180 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.200 -22.141 2.030 1.00 33.52 C ATOM 0 H LEU A 64 10.293 -22.290 5.196 1.00 31.21 H new ATOM 0 HA LEU A 64 13.200 -21.912 5.616 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.455 -21.266 3.220 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.032 -20.543 3.467 1.00 42.20 H new ATOM 0 HG LEU A 64 13.531 -23.274 3.709 1.00 33.54 H new ATOM 0 HD11 LEU A 64 12.538 -24.258 1.682 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.295 -23.792 2.867 1.00 24.14 H new ATOM 0 HD13 LEU A 64 11.584 -22.776 1.435 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.655 -22.998 1.533 1.00 33.52 H new ATOM 0 HD22 LEU A 64 13.783 -21.467 1.282 1.00 33.52 H new ATOM 0 HD23 LEU A 64 14.957 -21.615 2.612 1.00 33.52 H new ATOM 1036 N THR A 65 12.612 -19.853 6.855 1.00 71.33 N ATOM 1037 CA THR A 65 12.376 -18.581 7.528 1.00 73.12 C ATOM 1038 C THR A 65 13.417 -17.544 7.125 1.00 14.11 C ATOM 1039 O THR A 65 14.619 -17.806 7.173 1.00 44.01 O ATOM 1040 CB THR A 65 12.396 -18.745 9.060 1.00 74.44 C ATOM 1041 OG1 THR A 65 11.875 -20.028 9.423 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.579 -17.651 9.732 1.00 42.34 C ATOM 0 H THR A 65 13.347 -20.422 7.275 1.00 71.33 H new ATOM 0 HA THR A 65 11.389 -18.238 7.219 1.00 73.12 H new ATOM 0 HB THR A 65 13.429 -18.665 9.398 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.615 -20.660 9.541 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.608 -17.787 10.813 1.00 42.34 H new ATOM 0 HG22 THR A 65 11.997 -16.677 9.478 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.546 -17.704 9.387 1.00 42.34 H new ATOM 1050 N MET A 66 12.949 -16.366 6.728 1.00 44.23 N ATOM 1051 CA MET A 66 13.841 -15.287 6.318 1.00 35.33 C ATOM 1052 C MET A 66 13.154 -13.933 6.448 1.00 74.32 C ATOM 1053 O MET A 66 11.938 -13.827 6.288 1.00 1.23 O ATOM 1054 CB MET A 66 14.305 -15.501 4.876 1.00 73.33 C ATOM 1055 CG MET A 66 15.422 -16.523 4.742 1.00 31.14 C ATOM 1056 SD MET A 66 14.836 -18.116 4.131 1.00 74.11 S ATOM 1057 CE MET A 66 16.009 -18.426 2.814 1.00 64.32 C ATOM 0 H MET A 66 11.957 -16.134 6.681 1.00 44.23 H new ATOM 0 HA MET A 66 14.709 -15.297 6.977 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.455 -15.823 4.274 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.644 -14.549 4.467 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.184 -16.136 4.065 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.899 -16.663 5.712 1.00 31.14 H new ATOM 0 HE1 MET A 66 15.845 -19.424 2.408 1.00 64.32 H new ATOM 0 HE2 MET A 66 15.874 -17.687 2.025 1.00 64.32 H new ATOM 0 HE3 MET A 66 17.024 -18.356 3.206 1.00 64.32 H new ATOM 1067 N GLU A 67 13.939 -12.901 6.739 1.00 74.44 N ATOM 1068 CA GLU A 67 13.403 -11.553 6.892 1.00 65.21 C ATOM 1069 C GLU A 67 13.266 -10.865 5.536 1.00 21.25 C ATOM 1070 O GLU A 67 13.814 -11.328 4.536 1.00 71.54 O ATOM 1071 CB GLU A 67 14.304 -10.723 7.809 1.00 61.44 C ATOM 1072 CG GLU A 67 14.304 -11.196 9.253 1.00 20.41 C ATOM 1073 CD GLU A 67 15.267 -10.412 10.124 1.00 50.14 C ATOM 1074 OE1 GLU A 67 15.536 -9.236 9.799 1.00 70.53 O ATOM 1075 OE2 GLU A 67 15.752 -10.973 11.129 1.00 14.41 O1- ATOM 0 H GLU A 67 14.948 -12.972 6.874 1.00 74.44 H new ATOM 0 HA GLU A 67 12.413 -11.632 7.342 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.324 -10.753 7.426 1.00 61.44 H new ATOM 0 HB3 GLU A 67 13.981 -9.682 7.776 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.297 -11.107 9.660 1.00 20.41 H new ATOM 0 HG3 GLU A 67 14.569 -12.253 9.285 1.00 20.41 H new ATOM 1082 N ASP A 68 12.532 -9.758 5.513 1.00 21.12 N ATOM 1083 CA ASP A 68 12.324 -9.006 4.281 1.00 71.10 C ATOM 1084 C ASP A 68 13.654 -8.692 3.604 1.00 24.42 C ATOM 1085 O ASP A 68 13.872 -9.049 2.446 1.00 74.24 O ATOM 1086 CB ASP A 68 11.567 -7.708 4.574 1.00 64.02 C ATOM 1087 CG ASP A 68 10.374 -7.515 3.659 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.612 -8.485 3.466 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 10.202 -6.395 3.135 1.00 12.13 O ATOM 0 H ASP A 68 12.072 -9.362 6.332 1.00 21.12 H new ATOM 0 HA ASP A 68 11.730 -9.620 3.605 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.229 -7.714 5.610 1.00 64.02 H new ATOM 0 HB3 ASP A 68 12.246 -6.862 4.465 1.00 64.02 H new ATOM 1094 N ASP A 69 14.539 -8.021 4.333 1.00 45.41 N ATOM 1095 CA ASP A 69 15.849 -7.658 3.803 1.00 14.54 C ATOM 1096 C ASP A 69 16.549 -8.876 3.206 1.00 22.43 C ATOM 1097 O ASP A 69 17.248 -8.770 2.198 1.00 53.21 O ATOM 1098 CB ASP A 69 16.715 -7.043 4.902 1.00 1.15 C ATOM 1099 CG ASP A 69 17.528 -5.863 4.407 1.00 54.42 C ATOM 1100 OD1 ASP A 69 18.077 -5.949 3.288 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 17.616 -4.855 5.138 1.00 74.02 O ATOM 0 H ASP A 69 14.373 -7.717 5.293 1.00 45.41 H new ATOM 0 HA ASP A 69 15.703 -6.921 3.013 1.00 14.54 H new ATOM 0 HB2 ASP A 69 16.077 -6.721 5.725 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.388 -7.803 5.298 1.00 1.15 H new ATOM 1106 N ILE A 70 16.357 -10.029 3.836 1.00 1.14 N ATOM 1107 CA ILE A 70 16.971 -11.266 3.368 1.00 43.35 C ATOM 1108 C ILE A 70 16.391 -11.693 2.023 1.00 31.44 C ATOM 1109 O ILE A 70 17.099 -12.234 1.175 1.00 24.31 O ATOM 1110 CB ILE A 70 16.779 -12.409 4.383 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.716 -12.222 5.578 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.025 -13.755 3.717 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.179 -12.176 5.198 1.00 73.31 C ATOM 0 H ILE A 70 15.781 -10.133 4.672 1.00 1.14 H new ATOM 0 HA ILE A 70 18.037 -11.066 3.255 1.00 43.35 H new ATOM 0 HB ILE A 70 15.751 -12.386 4.744 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.454 -11.298 6.094 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.558 -13.037 6.284 1.00 2.20 H new ATOM 0 HG21 ILE A 70 16.886 -14.553 4.447 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.322 -13.888 2.895 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.044 -13.790 3.332 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.784 -12.042 6.095 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.457 -13.110 4.709 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.352 -11.344 4.516 1.00 73.31 H new ATOM 1125 N MET A 71 15.100 -11.443 1.836 1.00 71.51 N ATOM 1126 CA MET A 71 14.426 -11.798 0.593 1.00 43.30 C ATOM 1127 C MET A 71 14.997 -11.010 -0.580 1.00 65.43 C ATOM 1128 O MET A 71 15.290 -11.573 -1.635 1.00 75.00 O ATOM 1129 CB MET A 71 12.922 -11.539 0.711 1.00 72.31 C ATOM 1130 CG MET A 71 12.142 -12.729 1.248 1.00 1.33 C ATOM 1131 SD MET A 71 11.268 -13.627 -0.049 1.00 74.13 S ATOM 1132 CE MET A 71 11.172 -15.261 0.678 1.00 31.24 C ATOM 0 H MET A 71 14.500 -10.996 2.529 1.00 71.51 H new ATOM 0 HA MET A 71 14.592 -12.860 0.410 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.759 -10.683 1.365 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.530 -11.270 -0.270 1.00 72.31 H new ATOM 0 HG2 MET A 71 12.826 -13.408 1.757 1.00 1.33 H new ATOM 0 HG3 MET A 71 11.425 -12.383 1.992 1.00 1.33 H new ATOM 0 HE1 MET A 71 10.993 -15.998 -0.105 1.00 31.24 H new ATOM 0 HE2 MET A 71 12.110 -15.490 1.184 1.00 31.24 H new ATOM 0 HE3 MET A 71 10.354 -15.291 1.398 1.00 31.24 H new ATOM 1142 N PHE A 72 15.155 -9.704 -0.390 1.00 41.54 N ATOM 1143 CA PHE A 72 15.691 -8.838 -1.433 1.00 22.30 C ATOM 1144 C PHE A 72 17.193 -9.056 -1.603 1.00 43.01 C ATOM 1145 O PHE A 72 17.734 -8.895 -2.695 1.00 63.32 O ATOM 1146 CB PHE A 72 15.411 -7.371 -1.103 1.00 44.00 C ATOM 1147 CG PHE A 72 16.083 -6.407 -2.038 1.00 52.50 C ATOM 1148 CD1 PHE A 72 15.515 -6.103 -3.265 1.00 61.23 C ATOM 1149 CD2 PHE A 72 17.280 -5.803 -1.690 1.00 2.12 C ATOM 1150 CE1 PHE A 72 16.132 -5.217 -4.129 1.00 44.43 C ATOM 1151 CE2 PHE A 72 17.901 -4.916 -2.548 1.00 51.42 C ATOM 1152 CZ PHE A 72 17.326 -4.622 -3.769 1.00 61.11 C ATOM 0 H PHE A 72 14.919 -9.222 0.478 1.00 41.54 H new ATOM 0 HA PHE A 72 15.196 -9.092 -2.370 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.335 -7.200 -1.130 1.00 44.00 H new ATOM 0 HB3 PHE A 72 15.741 -7.167 -0.084 1.00 44.00 H new ATOM 0 HD1 PHE A 72 14.580 -6.563 -3.550 1.00 61.23 H new ATOM 0 HD2 PHE A 72 17.733 -6.028 -0.736 1.00 2.12 H new ATOM 0 HE1 PHE A 72 15.681 -4.990 -5.084 1.00 44.43 H new ATOM 0 HE2 PHE A 72 18.835 -4.453 -2.264 1.00 51.42 H new ATOM 0 HZ PHE A 72 17.809 -3.928 -4.441 1.00 61.11 H new ATOM 1162 N ALA A 73 17.858 -9.422 -0.512 1.00 72.11 N ATOM 1163 CA ALA A 73 19.295 -9.663 -0.538 1.00 15.10 C ATOM 1164 C ALA A 73 19.616 -10.998 -1.201 1.00 3.03 C ATOM 1165 O ALA A 73 20.330 -11.046 -2.203 1.00 20.54 O ATOM 1166 CB ALA A 73 19.862 -9.623 0.874 1.00 40.23 C ATOM 0 H ALA A 73 17.424 -9.558 0.401 1.00 72.11 H new ATOM 0 HA ALA A 73 19.760 -8.873 -1.128 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.936 -9.805 0.840 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.673 -8.644 1.314 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.383 -10.392 1.480 1.00 40.23 H new ATOM 1172 N ILE A 74 19.085 -12.077 -0.636 1.00 62.02 N ATOM 1173 CA ILE A 74 19.315 -13.412 -1.175 1.00 2.11 C ATOM 1174 C ILE A 74 18.529 -13.628 -2.463 1.00 5.14 C ATOM 1175 O ILE A 74 19.063 -14.126 -3.453 1.00 43.34 O ATOM 1176 CB ILE A 74 18.927 -14.502 -0.160 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.803 -14.404 1.089 1.00 44.31 C ATOM 1178 CG2 ILE A 74 19.048 -15.881 -0.791 1.00 21.22 C ATOM 1179 CD1 ILE A 74 19.503 -15.465 2.125 1.00 30.22 C ATOM 0 H ILE A 74 18.493 -12.053 0.194 1.00 62.02 H new ATOM 0 HA ILE A 74 20.381 -13.488 -1.387 1.00 2.11 H new ATOM 0 HB ILE A 74 17.889 -14.348 0.135 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.850 -14.481 0.795 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.670 -13.420 1.540 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.770 -16.641 -0.061 1.00 21.22 H new ATOM 0 HG22 ILE A 74 18.384 -15.946 -1.653 1.00 21.22 H new ATOM 0 HG23 ILE A 74 20.077 -16.045 -1.112 1.00 21.22 H new ATOM 0 HD11 ILE A 74 20.163 -15.333 2.983 1.00 30.22 H new ATOM 0 HD12 ILE A 74 18.466 -15.375 2.448 1.00 30.22 H new ATOM 0 HD13 ILE A 74 19.664 -16.452 1.692 1.00 30.22 H new ATOM 1191 N GLY A 75 17.256 -13.246 -2.444 1.00 3.13 N ATOM 1192 CA GLY A 75 16.416 -13.405 -3.618 1.00 32.31 C ATOM 1193 C GLY A 75 17.076 -12.882 -4.878 1.00 1.25 C ATOM 1194 O GLY A 75 16.906 -13.448 -5.958 1.00 54.01 O ATOM 0 H GLY A 75 16.791 -12.829 -1.637 1.00 3.13 H new ATOM 0 HA2 GLY A 75 16.175 -14.460 -3.749 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.474 -12.880 -3.460 1.00 32.31 H new ATOM 1198 N THR A 76 17.831 -11.796 -4.742 1.00 53.52 N ATOM 1199 CA THR A 76 18.517 -11.195 -5.878 1.00 44.22 C ATOM 1200 C THR A 76 19.893 -11.817 -6.083 1.00 51.23 C ATOM 1201 O THR A 76 20.455 -11.759 -7.176 1.00 5.23 O ATOM 1202 CB THR A 76 18.676 -9.673 -5.697 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.479 -9.398 -4.544 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.319 -9.001 -5.548 1.00 74.33 C ATOM 0 H THR A 76 17.982 -11.315 -3.855 1.00 53.52 H new ATOM 0 HA THR A 76 17.901 -11.387 -6.756 1.00 44.22 H new ATOM 0 HB THR A 76 19.166 -9.273 -6.585 1.00 62.11 H new ATOM 0 HG1 THR A 76 18.908 -9.366 -3.748 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.457 -7.927 -5.422 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.721 -9.188 -6.440 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.806 -9.406 -4.676 1.00 74.33 H new ATOM 1212 N GLY A 77 20.431 -12.415 -5.024 1.00 1.41 N ATOM 1213 CA GLY A 77 21.738 -13.040 -5.109 1.00 40.44 C ATOM 1214 C GLY A 77 22.865 -12.066 -4.839 1.00 21.42 C ATOM 1215 O GLY A 77 23.955 -12.197 -5.395 1.00 72.34 O ATOM 0 H GLY A 77 19.985 -12.478 -4.109 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.792 -13.861 -4.394 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.866 -13.473 -6.101 1.00 40.44 H new ATOM 1219 N ALA A 78 22.605 -11.083 -3.982 1.00 14.03 N ATOM 1220 CA ALA A 78 23.607 -10.083 -3.638 1.00 4.53 C ATOM 1221 C ALA A 78 24.551 -10.600 -2.557 1.00 51.42 C ATOM 1222 O ALA A 78 25.758 -10.360 -2.606 1.00 12.13 O ATOM 1223 CB ALA A 78 22.935 -8.796 -3.183 1.00 15.31 C ATOM 0 H ALA A 78 21.708 -10.959 -3.513 1.00 14.03 H new ATOM 0 HA ALA A 78 24.198 -9.875 -4.530 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.696 -8.058 -2.929 1.00 15.31 H new ATOM 0 HB2 ALA A 78 22.308 -8.409 -3.986 1.00 15.31 H new ATOM 0 HB3 ALA A 78 22.319 -8.997 -2.307 1.00 15.31 H new ATOM 1229 N LEU A 79 23.995 -11.310 -1.583 1.00 34.13 N ATOM 1230 CA LEU A 79 24.786 -11.860 -0.488 1.00 54.32 C ATOM 1231 C LEU A 79 24.689 -13.382 -0.457 1.00 62.35 C ATOM 1232 O LEU A 79 23.718 -13.976 -0.927 1.00 75.14 O ATOM 1233 CB LEU A 79 24.319 -11.281 0.848 1.00 45.25 C ATOM 1234 CG LEU A 79 24.897 -9.916 1.226 1.00 22.42 C ATOM 1235 CD1 LEU A 79 24.176 -9.348 2.438 1.00 41.33 C ATOM 1236 CD2 LEU A 79 26.391 -10.026 1.496 1.00 23.31 C ATOM 0 H LEU A 79 22.998 -11.519 -1.529 1.00 34.13 H new ATOM 0 HA LEU A 79 25.828 -11.583 -0.652 1.00 54.32 H new ATOM 0 HB2 LEU A 79 23.232 -11.200 0.826 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.570 -11.991 1.636 1.00 45.25 H new ATOM 0 HG LEU A 79 24.748 -9.235 0.388 1.00 22.42 H new ATOM 0 HD11 LEU A 79 24.601 -8.377 2.692 1.00 41.33 H new ATOM 0 HD12 LEU A 79 23.116 -9.232 2.210 1.00 41.33 H new ATOM 0 HD13 LEU A 79 24.293 -10.027 3.282 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.786 -9.046 1.763 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.562 -10.722 2.317 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.897 -10.389 0.601 1.00 23.31 H new ATOM 1248 N PRO A 80 25.716 -14.030 0.111 1.00 14.00 N ATOM 1249 CA PRO A 80 25.768 -15.491 0.220 1.00 41.14 C ATOM 1250 C PRO A 80 24.748 -16.035 1.214 1.00 21.40 C ATOM 1251 O PRO A 80 24.757 -15.670 2.389 1.00 0.41 O ATOM 1252 CB PRO A 80 27.192 -15.759 0.714 1.00 72.45 C ATOM 1253 CG PRO A 80 27.589 -14.510 1.422 1.00 25.51 C ATOM 1254 CD PRO A 80 26.906 -13.387 0.692 1.00 63.44 C ATOM 0 HA PRO A 80 25.531 -15.979 -0.725 1.00 41.14 H new ATOM 0 HB2 PRO A 80 27.224 -16.620 1.382 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.865 -15.975 -0.116 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.282 -14.540 2.468 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.671 -14.382 1.411 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.635 -12.575 1.367 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.548 -12.960 -0.078 1.00 63.44 H new ATOM 1262 N ALA A 81 23.870 -16.909 0.735 1.00 32.45 N ATOM 1263 CA ALA A 81 22.844 -17.505 1.583 1.00 0.14 C ATOM 1264 C ALA A 81 23.467 -18.379 2.665 1.00 23.15 C ATOM 1265 O ALA A 81 22.877 -18.587 3.725 1.00 35.22 O ATOM 1266 CB ALA A 81 21.870 -18.316 0.741 1.00 1.12 C ATOM 0 H ALA A 81 23.848 -17.221 -0.236 1.00 32.45 H new ATOM 0 HA ALA A 81 22.299 -16.699 2.074 1.00 0.14 H new ATOM 0 HB1 ALA A 81 21.109 -18.755 1.386 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.393 -17.665 0.009 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.409 -19.110 0.224 1.00 1.12 H new ATOM 1272 N LYS A 82 24.662 -18.891 2.391 1.00 52.31 N ATOM 1273 CA LYS A 82 25.366 -19.743 3.342 1.00 64.02 C ATOM 1274 C LYS A 82 25.869 -18.931 4.532 1.00 31.13 C ATOM 1275 O LYS A 82 25.624 -19.287 5.684 1.00 60.00 O ATOM 1276 CB LYS A 82 26.541 -20.444 2.656 1.00 15.40 C ATOM 1277 CG LYS A 82 26.698 -21.901 3.057 1.00 55.43 C ATOM 1278 CD LYS A 82 27.635 -22.640 2.115 1.00 25.31 C ATOM 1279 CE LYS A 82 27.987 -24.020 2.649 1.00 43.03 C ATOM 1280 NZ LYS A 82 27.749 -25.084 1.634 1.00 1.31 N1+ ATOM 0 H LYS A 82 25.164 -18.731 1.517 1.00 52.31 H new ATOM 0 HA LYS A 82 24.665 -20.494 3.708 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.408 -20.385 1.576 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.461 -19.909 2.893 1.00 15.40 H new ATOM 0 HG2 LYS A 82 27.083 -21.960 4.075 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.722 -22.387 3.057 1.00 55.43 H new ATOM 0 HD2 LYS A 82 27.167 -22.736 1.135 1.00 25.31 H new ATOM 0 HD3 LYS A 82 28.547 -22.059 1.977 1.00 25.31 H new ATOM 0 HE2 LYS A 82 29.034 -24.036 2.953 1.00 43.03 H new ATOM 0 HE3 LYS A 82 27.393 -24.228 3.539 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 28.001 -26.010 2.036 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 26.745 -25.086 1.362 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 28.335 -24.900 0.795 1.00 1.31 H new ATOM 1294 N GLU A 83 26.571 -17.840 4.243 1.00 54.33 N ATOM 1295 CA GLU A 83 27.107 -16.978 5.292 1.00 72.13 C ATOM 1296 C GLU A 83 25.982 -16.390 6.138 1.00 22.30 C ATOM 1297 O GLU A 83 26.061 -16.369 7.366 1.00 41.13 O ATOM 1298 CB GLU A 83 27.942 -15.853 4.679 1.00 33.31 C ATOM 1299 CG GLU A 83 29.155 -15.474 5.513 1.00 73.20 C ATOM 1300 CD GLU A 83 30.458 -15.631 4.752 1.00 31.14 C ATOM 1301 OE1 GLU A 83 30.593 -15.017 3.673 1.00 42.32 O1- ATOM 1302 OE2 GLU A 83 31.342 -16.366 5.238 1.00 4.11 O ATOM 0 H GLU A 83 26.782 -17.532 3.294 1.00 54.33 H new ATOM 0 HA GLU A 83 27.744 -17.583 5.937 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.274 -16.157 3.686 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.312 -14.973 4.548 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.055 -14.441 5.845 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.184 -16.095 6.408 1.00 73.20 H new ATOM 1309 N ALA A 84 24.937 -15.910 5.473 1.00 31.35 N ATOM 1310 CA ALA A 84 23.796 -15.321 6.162 1.00 33.22 C ATOM 1311 C ALA A 84 23.282 -16.246 7.261 1.00 0.53 C ATOM 1312 O ALA A 84 23.105 -15.828 8.405 1.00 54.02 O ATOM 1313 CB ALA A 84 22.685 -15.006 5.172 1.00 63.32 C ATOM 0 H ALA A 84 24.857 -15.918 4.456 1.00 31.35 H new ATOM 0 HA ALA A 84 24.125 -14.392 6.628 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.840 -14.567 5.702 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.052 -14.301 4.426 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.366 -15.924 4.678 1.00 63.32 H new ATOM 1319 N MET A 85 23.042 -17.504 6.904 1.00 15.31 N ATOM 1320 CA MET A 85 22.548 -18.488 7.860 1.00 72.33 C ATOM 1321 C MET A 85 23.670 -18.967 8.776 1.00 13.11 C ATOM 1322 O MET A 85 23.424 -19.391 9.905 1.00 65.35 O ATOM 1323 CB MET A 85 21.929 -19.678 7.126 1.00 14.13 C ATOM 1324 CG MET A 85 20.580 -19.370 6.495 1.00 2.33 C ATOM 1325 SD MET A 85 20.132 -20.546 5.205 1.00 30.31 S ATOM 1326 CE MET A 85 20.134 -19.485 3.763 1.00 34.22 C ATOM 0 H MET A 85 23.182 -17.865 5.960 1.00 15.31 H new ATOM 0 HA MET A 85 21.783 -18.011 8.472 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.616 -20.012 6.349 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.813 -20.505 7.826 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.812 -19.375 7.268 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.601 -18.365 6.074 1.00 2.33 H new ATOM 0 HE1 MET A 85 19.115 -19.374 3.391 1.00 34.22 H new ATOM 0 HE2 MET A 85 20.531 -18.506 4.032 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.757 -19.928 2.986 1.00 34.22 H new ATOM 1336 N ALA A 86 24.901 -18.898 8.281 1.00 22.40 N ATOM 1337 CA ALA A 86 26.060 -19.323 9.056 1.00 24.14 C ATOM 1338 C ALA A 86 26.193 -18.508 10.338 1.00 44.20 C ATOM 1339 O ALA A 86 26.668 -19.010 11.356 1.00 35.33 O ATOM 1340 CB ALA A 86 27.326 -19.205 8.220 1.00 41.43 C ATOM 0 H ALA A 86 25.121 -18.552 7.347 1.00 22.40 H new ATOM 0 HA ALA A 86 25.917 -20.367 9.334 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.184 -19.526 8.811 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.238 -19.836 7.336 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.464 -18.168 7.913 1.00 41.43 H new ATOM 1346 N GLN A 87 25.770 -17.249 10.280 1.00 21.33 N ATOM 1347 CA GLN A 87 25.844 -16.366 11.437 1.00 11.30 C ATOM 1348 C GLN A 87 24.564 -16.442 12.263 1.00 13.12 C ATOM 1349 O GLN A 87 24.190 -15.481 12.936 1.00 34.44 O ATOM 1350 CB GLN A 87 26.092 -14.924 10.990 1.00 62.44 C ATOM 1351 CG GLN A 87 27.439 -14.720 10.314 1.00 22.40 C ATOM 1352 CD GLN A 87 27.592 -13.331 9.727 1.00 42.41 C ATOM 1353 OE1 GLN A 87 27.046 -12.358 10.250 1.00 63.45 O ATOM 1354 NE2 GLN A 87 28.338 -13.229 8.633 1.00 23.23 N ATOM 0 H GLN A 87 25.373 -16.819 9.445 1.00 21.33 H new ATOM 0 HA GLN A 87 26.676 -16.694 12.060 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.301 -14.624 10.303 1.00 62.44 H new ATOM 0 HB3 GLN A 87 26.027 -14.267 11.857 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.235 -14.894 11.038 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.560 -15.460 9.523 1.00 22.40 H new ATOM 0 HE21 GLN A 87 28.772 -14.061 8.232 1.00 23.23 H new ATOM 0 HE22 GLN A 87 28.477 -12.319 8.193 1.00 23.23 H new ATOM 1363 N ASP A 88 23.896 -17.588 12.205 1.00 74.43 N ATOM 1364 CA ASP A 88 22.657 -17.790 12.948 1.00 30.11 C ATOM 1365 C ASP A 88 21.701 -16.619 12.738 1.00 61.34 C ATOM 1366 O ASP A 88 20.888 -16.304 13.608 1.00 12.20 O ATOM 1367 CB ASP A 88 22.954 -17.963 14.437 1.00 42.33 C ATOM 1368 CG ASP A 88 22.186 -19.118 15.050 1.00 10.02 C ATOM 1369 OD1 ASP A 88 22.159 -20.205 14.436 1.00 73.51 O ATOM 1370 OD2 ASP A 88 21.613 -18.935 16.145 1.00 1.01 O1- ATOM 0 H ASP A 88 24.191 -18.392 11.651 1.00 74.43 H new ATOM 0 HA ASP A 88 22.180 -18.696 12.574 1.00 30.11 H new ATOM 0 HB2 ASP A 88 24.023 -18.127 14.575 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.702 -17.043 14.964 1.00 42.33 H new ATOM 1375 N LYS A 89 21.806 -15.976 11.581 1.00 0.12 N ATOM 1376 CA LYS A 89 20.953 -14.840 11.256 1.00 50.20 C ATOM 1377 C LYS A 89 19.649 -15.304 10.614 1.00 23.34 C ATOM 1378 O LYS A 89 18.809 -14.489 10.234 1.00 54.12 O ATOM 1379 CB LYS A 89 21.683 -13.879 10.314 1.00 12.11 C ATOM 1380 CG LYS A 89 21.876 -12.489 10.894 1.00 1.11 C ATOM 1381 CD LYS A 89 20.840 -11.513 10.362 1.00 0.51 C ATOM 1382 CE LYS A 89 20.051 -10.867 11.489 1.00 23.00 C ATOM 1383 NZ LYS A 89 20.652 -9.574 11.919 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.475 -16.223 10.851 1.00 0.12 H new ATOM 0 HA LYS A 89 20.716 -14.320 12.184 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.658 -14.298 10.065 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.122 -13.800 9.383 1.00 12.11 H new ATOM 0 HG2 LYS A 89 21.809 -12.535 11.981 1.00 1.11 H new ATOM 0 HG3 LYS A 89 22.875 -12.128 10.651 1.00 1.11 H new ATOM 0 HD2 LYS A 89 21.335 -10.740 9.774 1.00 0.51 H new ATOM 0 HD3 LYS A 89 20.157 -12.035 9.692 1.00 0.51 H new ATOM 0 HE2 LYS A 89 19.024 -10.699 11.163 1.00 23.00 H new ATOM 0 HE3 LYS A 89 20.009 -11.548 12.339 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 20.084 -9.166 12.689 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 21.623 -9.737 12.254 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 20.669 -8.915 11.115 1.00 64.21 H new ATOM 1397 N MET A 90 19.488 -16.619 10.499 1.00 61.54 N ATOM 1398 CA MET A 90 18.284 -17.190 9.905 1.00 34.14 C ATOM 1399 C MET A 90 18.037 -18.601 10.431 1.00 23.11 C ATOM 1400 O MET A 90 18.977 -19.323 10.759 1.00 52.43 O ATOM 1401 CB MET A 90 18.404 -17.216 8.380 1.00 63.10 C ATOM 1402 CG MET A 90 17.961 -15.923 7.715 1.00 53.24 C ATOM 1403 SD MET A 90 19.242 -15.206 6.667 1.00 10.12 S ATOM 1404 CE MET A 90 19.237 -16.354 5.293 1.00 55.23 C ATOM 0 H MET A 90 20.174 -17.307 10.808 1.00 61.54 H new ATOM 0 HA MET A 90 17.438 -16.562 10.184 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.440 -17.419 8.108 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.805 -18.039 7.990 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.071 -16.114 7.115 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.679 -15.202 8.483 1.00 53.24 H new ATOM 0 HE1 MET A 90 20.246 -16.444 4.890 1.00 55.23 H new ATOM 0 HE2 MET A 90 18.895 -17.330 5.636 1.00 55.23 H new ATOM 0 HE3 MET A 90 18.567 -15.988 4.515 1.00 55.23 H new ATOM 1414 N GLU A 91 16.767 -18.986 10.506 1.00 65.45 N ATOM 1415 CA GLU A 91 16.398 -20.310 10.992 1.00 11.40 C ATOM 1416 C GLU A 91 15.555 -21.054 9.961 1.00 34.33 C ATOM 1417 O GLU A 91 14.391 -20.720 9.737 1.00 12.44 O ATOM 1418 CB GLU A 91 15.629 -20.198 12.311 1.00 33.13 C ATOM 1419 CG GLU A 91 16.297 -19.290 13.330 1.00 21.12 C ATOM 1420 CD GLU A 91 15.464 -19.110 14.585 1.00 24.32 C ATOM 1421 OE1 GLU A 91 14.305 -18.663 14.468 1.00 51.55 O ATOM 1422 OE2 GLU A 91 15.974 -19.416 15.683 1.00 0.55 O1- ATOM 0 H GLU A 91 15.977 -18.400 10.237 1.00 65.45 H new ATOM 0 HA GLU A 91 17.315 -20.875 11.161 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.626 -19.824 12.106 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.517 -21.193 12.742 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.268 -19.705 13.599 1.00 21.12 H new ATOM 0 HG3 GLU A 91 16.481 -18.316 12.878 1.00 21.12 H new ATOM 1429 N VAL A 92 16.152 -22.063 9.334 1.00 4.22 N ATOM 1430 CA VAL A 92 15.457 -22.855 8.327 1.00 10.32 C ATOM 1431 C VAL A 92 15.506 -24.341 8.665 1.00 5.13 C ATOM 1432 O VAL A 92 16.504 -24.835 9.191 1.00 24.13 O ATOM 1433 CB VAL A 92 16.062 -22.638 6.927 1.00 74.54 C ATOM 1434 CG1 VAL A 92 15.743 -21.241 6.419 1.00 44.34 C ATOM 1435 CG2 VAL A 92 17.564 -22.875 6.954 1.00 24.44 C ATOM 0 H VAL A 92 17.115 -22.351 9.506 1.00 4.22 H new ATOM 0 HA VAL A 92 14.419 -22.521 8.323 1.00 10.32 H new ATOM 0 HB VAL A 92 15.616 -23.358 6.241 1.00 74.54 H new ATOM 0 HG11 VAL A 92 16.178 -21.106 5.429 1.00 44.34 H new ATOM 0 HG12 VAL A 92 14.662 -21.113 6.361 1.00 44.34 H new ATOM 0 HG13 VAL A 92 16.160 -20.501 7.103 1.00 44.34 H new ATOM 0 HG21 VAL A 92 17.975 -22.717 5.957 1.00 24.44 H new ATOM 0 HG22 VAL A 92 18.030 -22.180 7.653 1.00 24.44 H new ATOM 0 HG23 VAL A 92 17.765 -23.898 7.272 1.00 24.44 H new ATOM 1445 N ASP A 93 14.423 -25.048 8.359 1.00 5.23 N ATOM 1446 CA ASP A 93 14.343 -26.478 8.630 1.00 71.33 C ATOM 1447 C ASP A 93 13.814 -27.232 7.413 1.00 3.43 C ATOM 1448 O ASP A 93 12.657 -27.072 7.027 1.00 70.13 O ATOM 1449 CB ASP A 93 13.444 -26.741 9.838 1.00 63.55 C ATOM 1450 CG ASP A 93 13.713 -25.781 10.981 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.874 -25.711 11.436 1.00 3.05 O ATOM 1452 OD2 ASP A 93 12.763 -25.098 11.417 1.00 61.15 O1- ATOM 0 H ASP A 93 13.589 -24.654 7.923 1.00 5.23 H new ATOM 0 HA ASP A 93 15.348 -26.838 8.850 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.400 -26.657 9.535 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.595 -27.764 10.183 1.00 63.55 H new ATOM 1457 N GLY A 94 14.671 -28.054 6.814 1.00 62.44 N ATOM 1458 CA GLY A 94 14.272 -28.819 5.647 1.00 54.13 C ATOM 1459 C GLY A 94 15.453 -29.446 4.933 1.00 34.44 C ATOM 1460 O GLY A 94 16.604 -29.115 5.217 1.00 31.24 O ATOM 0 H GLY A 94 15.634 -28.204 7.116 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.577 -29.602 5.950 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.737 -28.168 4.955 1.00 54.13 H new ATOM 1464 N GLN A 95 15.168 -30.354 4.006 1.00 20.11 N ATOM 1465 CA GLN A 95 16.217 -31.030 3.252 1.00 74.11 C ATOM 1466 C GLN A 95 17.142 -30.020 2.580 1.00 14.41 C ATOM 1467 O GLN A 95 16.724 -29.271 1.696 1.00 70.12 O ATOM 1468 CB GLN A 95 15.603 -31.954 2.198 1.00 43.12 C ATOM 1469 CG GLN A 95 16.154 -33.370 2.236 1.00 5.44 C ATOM 1470 CD GLN A 95 17.357 -33.552 1.331 1.00 62.14 C ATOM 1471 OE1 GLN A 95 17.225 -33.981 0.184 1.00 52.20 O ATOM 1472 NE2 GLN A 95 18.538 -33.223 1.841 1.00 15.42 N ATOM 0 H GLN A 95 14.220 -30.639 3.759 1.00 20.11 H new ATOM 0 HA GLN A 95 16.804 -31.626 3.951 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.523 -31.989 2.342 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.779 -31.531 1.209 1.00 43.12 H new ATOM 0 HG2 GLN A 95 16.433 -33.620 3.260 1.00 5.44 H new ATOM 0 HG3 GLN A 95 15.372 -34.068 1.939 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.601 -32.871 2.796 1.00 15.42 H new ATOM 0 HE22 GLN A 95 19.382 -33.322 1.277 1.00 15.42 H new ATOM 1481 N VAL A 96 18.400 -30.003 3.007 1.00 3.03 N ATOM 1482 CA VAL A 96 19.386 -29.085 2.446 1.00 31.30 C ATOM 1483 C VAL A 96 19.286 -29.034 0.926 1.00 11.34 C ATOM 1484 O VAL A 96 19.341 -27.960 0.327 1.00 40.02 O ATOM 1485 CB VAL A 96 20.818 -29.489 2.844 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.820 -28.457 2.348 1.00 73.33 C ATOM 1487 CG2 VAL A 96 20.923 -29.666 4.350 1.00 14.52 C ATOM 0 H VAL A 96 18.761 -30.614 3.739 1.00 3.03 H new ATOM 0 HA VAL A 96 19.169 -28.098 2.854 1.00 31.30 H new ATOM 0 HB VAL A 96 21.052 -30.444 2.373 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.827 -28.758 2.638 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.761 -28.386 1.262 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.591 -27.487 2.788 1.00 73.33 H new ATOM 0 HG21 VAL A 96 21.942 -29.951 4.613 1.00 14.52 H new ATOM 0 HG22 VAL A 96 20.670 -28.729 4.845 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.233 -30.445 4.674 1.00 14.52 H new ATOM 1497 N GLU A 97 19.140 -30.201 0.308 1.00 74.25 N ATOM 1498 CA GLU A 97 19.032 -30.288 -1.144 1.00 11.51 C ATOM 1499 C GLU A 97 17.886 -29.422 -1.657 1.00 42.00 C ATOM 1500 O GLU A 97 18.060 -28.625 -2.580 1.00 42.22 O ATOM 1501 CB GLU A 97 18.822 -31.741 -1.576 1.00 74.24 C ATOM 1502 CG GLU A 97 19.872 -32.243 -2.552 1.00 53.13 C ATOM 1503 CD GLU A 97 19.589 -33.652 -3.039 1.00 42.33 C ATOM 1504 OE1 GLU A 97 18.420 -34.084 -2.955 1.00 51.11 O ATOM 1505 OE2 GLU A 97 20.536 -34.321 -3.502 1.00 41.00 O1- ATOM 0 H GLU A 97 19.094 -31.099 0.789 1.00 74.25 H new ATOM 0 HA GLU A 97 19.963 -29.920 -1.575 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.826 -32.378 -0.692 1.00 74.24 H new ATOM 0 HB3 GLU A 97 17.837 -31.837 -2.034 1.00 74.24 H new ATOM 0 HG2 GLU A 97 19.919 -31.569 -3.408 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.850 -32.218 -2.072 1.00 53.13 H new ATOM 1512 N LEU A 98 16.714 -29.583 -1.054 1.00 4.22 N ATOM 1513 CA LEU A 98 15.537 -28.817 -1.451 1.00 45.51 C ATOM 1514 C LEU A 98 15.868 -27.333 -1.567 1.00 62.10 C ATOM 1515 O LEU A 98 15.616 -26.710 -2.599 1.00 75.13 O ATOM 1516 CB LEU A 98 14.408 -29.021 -0.440 1.00 63.45 C ATOM 1517 CG LEU A 98 13.813 -30.428 -0.373 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.966 -30.591 0.880 1.00 70.31 C ATOM 1519 CD2 LEU A 98 12.988 -30.718 -1.618 1.00 24.12 C ATOM 0 H LEU A 98 16.553 -30.237 -0.288 1.00 4.22 H new ATOM 0 HA LEU A 98 15.212 -29.176 -2.428 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.782 -28.759 0.550 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.607 -28.320 -0.674 1.00 63.45 H new ATOM 0 HG LEU A 98 14.632 -31.146 -0.329 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.551 -31.598 0.910 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.585 -30.427 1.762 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.154 -29.864 0.867 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.572 -31.724 -1.553 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.177 -29.994 -1.694 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.623 -30.644 -2.501 1.00 24.12 H new ATOM 1531 N ILE A 99 16.436 -26.773 -0.505 1.00 14.23 N ATOM 1532 CA ILE A 99 16.805 -25.363 -0.490 1.00 35.14 C ATOM 1533 C ILE A 99 18.020 -25.104 -1.373 1.00 52.03 C ATOM 1534 O ILE A 99 18.261 -23.974 -1.801 1.00 51.23 O ATOM 1535 CB ILE A 99 17.110 -24.876 0.938 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.286 -25.658 1.528 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.878 -25.017 1.820 1.00 43.42 C ATOM 1538 CD1 ILE A 99 18.875 -25.020 2.766 1.00 52.41 C ATOM 0 H ILE A 99 16.651 -27.274 0.357 1.00 14.23 H new ATOM 0 HA ILE A 99 15.951 -24.809 -0.879 1.00 35.14 H new ATOM 0 HB ILE A 99 17.384 -23.822 0.895 1.00 70.21 H new ATOM 0 HG12 ILE A 99 17.955 -26.667 1.772 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.065 -25.752 0.772 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.109 -24.669 2.827 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.065 -24.420 1.407 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.576 -26.064 1.859 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.703 -25.628 3.130 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.237 -24.021 2.523 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.110 -24.951 3.539 1.00 52.41 H new ATOM 1550 N PHE A 100 18.783 -26.157 -1.645 1.00 71.24 N ATOM 1551 CA PHE A 100 19.974 -26.044 -2.480 1.00 72.33 C ATOM 1552 C PHE A 100 19.604 -26.065 -3.960 1.00 42.50 C ATOM 1553 O PHE A 100 20.389 -25.646 -4.813 1.00 71.51 O ATOM 1554 CB PHE A 100 20.950 -27.180 -2.169 1.00 70.10 C ATOM 1555 CG PHE A 100 22.329 -26.952 -2.717 1.00 5.21 C ATOM 1556 CD1 PHE A 100 23.228 -26.135 -2.050 1.00 64.21 C ATOM 1557 CD2 PHE A 100 22.729 -27.555 -3.900 1.00 32.30 C ATOM 1558 CE1 PHE A 100 24.498 -25.923 -2.553 1.00 44.14 C ATOM 1559 CE2 PHE A 100 23.998 -27.348 -4.406 1.00 55.43 C ATOM 1560 CZ PHE A 100 24.883 -26.531 -3.732 1.00 4.43 C ATOM 0 H PHE A 100 18.598 -27.099 -1.300 1.00 71.24 H new ATOM 0 HA PHE A 100 20.455 -25.091 -2.258 1.00 72.33 H new ATOM 0 HB2 PHE A 100 21.014 -27.308 -1.088 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.555 -28.110 -2.577 1.00 70.10 H new ATOM 0 HD1 PHE A 100 22.933 -25.659 -1.127 1.00 64.21 H new ATOM 0 HD2 PHE A 100 22.040 -28.194 -4.432 1.00 32.30 H new ATOM 0 HE1 PHE A 100 25.189 -25.283 -2.025 1.00 44.14 H new ATOM 0 HE2 PHE A 100 24.297 -27.825 -5.328 1.00 55.43 H new ATOM 0 HZ PHE A 100 25.875 -26.367 -4.126 1.00 4.43 H new ATOM 1570 N LEU A 101 18.406 -26.555 -4.258 1.00 25.32 N ATOM 1571 CA LEU A 101 17.932 -26.631 -5.635 1.00 40.32 C ATOM 1572 C LEU A 101 17.500 -25.259 -6.140 1.00 65.23 C ATOM 1573 O LEU A 101 17.639 -24.948 -7.324 1.00 62.41 O ATOM 1574 CB LEU A 101 16.766 -27.615 -5.740 1.00 25.44 C ATOM 1575 CG LEU A 101 17.128 -29.098 -5.636 1.00 23.22 C ATOM 1576 CD1 LEU A 101 15.908 -29.965 -5.905 1.00 4.34 C ATOM 1577 CD2 LEU A 101 18.251 -29.442 -6.603 1.00 22.30 C ATOM 0 H LEU A 101 17.745 -26.906 -3.565 1.00 25.32 H new ATOM 0 HA LEU A 101 18.755 -26.983 -6.257 1.00 40.32 H new ATOM 0 HB2 LEU A 101 16.047 -27.381 -4.955 1.00 25.44 H new ATOM 0 HB3 LEU A 101 16.262 -27.450 -6.692 1.00 25.44 H new ATOM 0 HG LEU A 101 17.474 -29.297 -4.622 1.00 23.22 H new ATOM 0 HD11 LEU A 101 16.184 -31.016 -5.827 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.132 -29.738 -5.174 1.00 4.34 H new ATOM 0 HD13 LEU A 101 15.532 -29.762 -6.908 1.00 4.34 H new ATOM 0 HD21 LEU A 101 18.495 -30.501 -6.515 1.00 22.30 H new ATOM 0 HD22 LEU A 101 17.932 -29.227 -7.623 1.00 22.30 H new ATOM 0 HD23 LEU A 101 19.132 -28.846 -6.365 1.00 22.30 H new ATOM 1589 N LEU A 102 16.978 -24.439 -5.234 1.00 30.55 N ATOM 1590 CA LEU A 102 16.527 -23.097 -5.586 1.00 44.41 C ATOM 1591 C LEU A 102 17.678 -22.098 -5.511 1.00 35.10 C ATOM 1592 O LEU A 102 17.536 -20.942 -5.908 1.00 24.35 O ATOM 1593 CB LEU A 102 15.394 -22.658 -4.657 1.00 74.32 C ATOM 1594 CG LEU A 102 14.004 -23.201 -4.991 1.00 21.44 C ATOM 1595 CD1 LEU A 102 14.065 -24.697 -5.256 1.00 14.34 C ATOM 1596 CD2 LEU A 102 13.028 -22.896 -3.863 1.00 31.25 C ATOM 0 H LEU A 102 16.857 -24.680 -4.250 1.00 30.55 H new ATOM 0 HA LEU A 102 16.158 -23.122 -6.611 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.646 -22.961 -3.641 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.348 -21.569 -4.663 1.00 74.32 H new ATOM 0 HG LEU A 102 13.649 -22.707 -5.896 1.00 21.44 H new ATOM 0 HD11 LEU A 102 13.067 -25.066 -5.492 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.731 -24.891 -6.096 1.00 14.34 H new ATOM 0 HD13 LEU A 102 14.441 -25.208 -4.370 1.00 14.34 H new ATOM 0 HD21 LEU A 102 12.044 -23.289 -4.117 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.379 -23.363 -2.942 1.00 31.25 H new ATOM 0 HD23 LEU A 102 12.962 -21.817 -3.721 1.00 31.25 H new ATOM 1608 N GLU A 103 18.818 -22.555 -5.000 1.00 43.15 N ATOM 1609 CA GLU A 103 19.993 -21.701 -4.875 1.00 3.21 C ATOM 1610 C GLU A 103 20.489 -21.253 -6.246 1.00 63.23 C ATOM 1611 O GLU A 103 20.703 -20.067 -6.500 1.00 12.34 O ATOM 1612 CB GLU A 103 21.110 -22.438 -4.132 1.00 45.21 C ATOM 1613 CG GLU A 103 21.103 -22.200 -2.632 1.00 43.34 C ATOM 1614 CD GLU A 103 22.413 -22.589 -1.973 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.389 -22.852 -2.706 1.00 12.12 O1- ATOM 1616 OE2 GLU A 103 22.461 -22.628 -0.726 1.00 3.05 O ATOM 0 H GLU A 103 18.952 -23.510 -4.667 1.00 43.15 H new ATOM 0 HA GLU A 103 19.708 -20.817 -4.304 1.00 3.21 H new ATOM 0 HB2 GLU A 103 21.017 -23.507 -4.322 1.00 45.21 H new ATOM 0 HB3 GLU A 103 22.072 -22.125 -4.537 1.00 45.21 H new ATOM 0 HG2 GLU A 103 20.901 -21.147 -2.436 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.291 -22.770 -2.181 1.00 43.34 H new ATOM 1623 N PRO A 104 20.678 -22.223 -7.153 1.00 1.41 N ATOM 1624 CA PRO A 104 21.151 -21.954 -8.514 1.00 73.13 C ATOM 1625 C PRO A 104 20.107 -21.233 -9.358 1.00 4.23 C ATOM 1626 O PRO A 104 20.391 -20.790 -10.472 1.00 22.01 O ATOM 1627 CB PRO A 104 21.423 -23.351 -9.078 1.00 53.34 C ATOM 1628 CG PRO A 104 20.532 -24.255 -8.296 1.00 15.34 C ATOM 1629 CD PRO A 104 20.442 -23.658 -6.920 1.00 52.44 C ATOM 0 HA PRO A 104 22.023 -21.300 -8.521 1.00 73.13 H new ATOM 0 HB2 PRO A 104 21.198 -23.398 -10.144 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.470 -23.629 -8.960 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.546 -24.325 -8.756 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.938 -25.266 -8.257 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.466 -23.836 -6.468 1.00 52.44 H new ATOM 0 HD3 PRO A 104 21.187 -24.084 -6.248 1.00 52.44 H new ATOM 1637 N PHE A 105 18.896 -21.117 -8.823 1.00 2.15 N ATOM 1638 CA PHE A 105 17.808 -20.448 -9.528 1.00 32.10 C ATOM 1639 C PHE A 105 17.608 -19.031 -9.001 1.00 31.15 C ATOM 1640 O PHE A 105 16.949 -18.208 -9.637 1.00 64.30 O ATOM 1641 CB PHE A 105 16.511 -21.247 -9.382 1.00 54.33 C ATOM 1642 CG PHE A 105 16.232 -22.154 -10.545 1.00 41.41 C ATOM 1643 CD1 PHE A 105 17.271 -22.678 -11.298 1.00 1.41 C ATOM 1644 CD2 PHE A 105 14.930 -22.486 -10.885 1.00 74.43 C ATOM 1645 CE1 PHE A 105 17.017 -23.513 -12.369 1.00 3.32 C ATOM 1646 CE2 PHE A 105 14.670 -23.321 -11.956 1.00 11.53 C ATOM 1647 CZ PHE A 105 15.714 -23.836 -12.697 1.00 12.30 C ATOM 0 H PHE A 105 18.643 -21.478 -7.903 1.00 2.15 H new ATOM 0 HA PHE A 105 18.074 -20.389 -10.583 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.561 -21.843 -8.471 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.678 -20.554 -9.264 1.00 54.33 H new ATOM 0 HD1 PHE A 105 18.291 -22.431 -11.045 1.00 1.41 H new ATOM 0 HD2 PHE A 105 14.109 -22.088 -10.307 1.00 74.43 H new ATOM 0 HE1 PHE A 105 17.836 -23.913 -12.949 1.00 3.32 H new ATOM 0 HE2 PHE A 105 13.651 -23.570 -12.212 1.00 11.53 H new ATOM 0 HZ PHE A 105 15.513 -24.491 -13.532 1.00 12.30 H new ATOM 1657 N ILE A 106 18.181 -18.753 -7.834 1.00 24.22 N ATOM 1658 CA ILE A 106 18.066 -17.435 -7.222 1.00 75.54 C ATOM 1659 C ILE A 106 18.282 -16.331 -8.251 1.00 2.34 C ATOM 1660 O ILE A 106 17.452 -15.432 -8.396 1.00 3.54 O ATOM 1661 CB ILE A 106 19.078 -17.257 -6.074 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.594 -17.989 -4.821 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.293 -15.780 -5.783 1.00 24.41 C ATOM 1664 CD1 ILE A 106 17.647 -17.170 -3.972 1.00 25.24 C ATOM 0 H ILE A 106 18.729 -19.423 -7.294 1.00 24.22 H new ATOM 0 HA ILE A 106 17.056 -17.361 -6.819 1.00 75.54 H new ATOM 0 HB ILE A 106 20.031 -17.689 -6.378 1.00 33.34 H new ATOM 0 HG12 ILE A 106 18.097 -18.912 -5.118 1.00 1.44 H new ATOM 0 HG13 ILE A 106 19.457 -18.272 -4.219 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.010 -15.670 -4.970 1.00 24.41 H new ATOM 0 HG22 ILE A 106 19.677 -15.286 -6.675 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.346 -15.324 -5.495 1.00 24.41 H new ATOM 0 HD11 ILE A 106 17.344 -17.751 -3.101 1.00 25.24 H new ATOM 0 HD12 ILE A 106 18.147 -16.259 -3.644 1.00 25.24 H new ATOM 0 HD13 ILE A 106 16.766 -16.909 -4.558 1.00 25.24 H new ATOM 1676 N ALA A 107 19.400 -16.404 -8.964 1.00 3.35 N ATOM 1677 CA ALA A 107 19.723 -15.412 -9.983 1.00 34.20 C ATOM 1678 C ALA A 107 18.811 -15.555 -11.196 1.00 53.41 C ATOM 1679 O ALA A 107 18.258 -14.570 -11.687 1.00 32.33 O ATOM 1680 CB ALA A 107 21.181 -15.538 -10.399 1.00 64.22 C ATOM 0 H ALA A 107 20.098 -17.140 -8.855 1.00 3.35 H new ATOM 0 HA ALA A 107 19.563 -14.422 -9.555 1.00 34.20 H new ATOM 0 HB1 ALA A 107 21.408 -14.791 -11.160 1.00 64.22 H new ATOM 0 HB2 ALA A 107 21.822 -15.379 -9.532 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.359 -16.534 -10.804 1.00 64.22 H new ATOM 1686 N SER A 108 18.659 -16.785 -11.676 1.00 21.15 N ATOM 1687 CA SER A 108 17.818 -17.055 -12.835 1.00 44.42 C ATOM 1688 C SER A 108 16.431 -16.445 -12.653 1.00 32.13 C ATOM 1689 O SER A 108 15.884 -15.832 -13.572 1.00 64.31 O ATOM 1690 CB SER A 108 17.697 -18.562 -13.065 1.00 55.01 C ATOM 1691 OG SER A 108 18.099 -18.912 -14.378 1.00 5.42 O ATOM 0 H SER A 108 19.108 -17.611 -11.279 1.00 21.15 H new ATOM 0 HA SER A 108 18.287 -16.598 -13.707 1.00 44.42 H new ATOM 0 HB2 SER A 108 18.312 -19.094 -12.339 1.00 55.01 H new ATOM 0 HB3 SER A 108 16.666 -18.876 -12.901 1.00 55.01 H new ATOM 0 HG SER A 108 18.014 -19.881 -14.499 1.00 5.42 H new ATOM 1697 N LEU A 109 15.867 -16.617 -11.464 1.00 35.14 N ATOM 1698 CA LEU A 109 14.544 -16.084 -11.159 1.00 3.21 C ATOM 1699 C LEU A 109 14.114 -15.062 -12.207 1.00 12.12 C ATOM 1700 O LEU A 109 14.446 -13.881 -12.111 1.00 20.34 O ATOM 1701 CB LEU A 109 14.538 -15.441 -9.771 1.00 34.14 C ATOM 1702 CG LEU A 109 14.626 -16.402 -8.585 1.00 61.52 C ATOM 1703 CD1 LEU A 109 14.352 -15.669 -7.282 1.00 33.34 C ATOM 1704 CD2 LEU A 109 13.652 -17.559 -8.764 1.00 5.32 C ATOM 0 H LEU A 109 16.305 -17.122 -10.694 1.00 35.14 H new ATOM 0 HA LEU A 109 13.835 -16.912 -11.172 1.00 3.21 H new ATOM 0 HB2 LEU A 109 15.375 -14.745 -9.712 1.00 34.14 H new ATOM 0 HB3 LEU A 109 13.626 -14.853 -9.669 1.00 34.14 H new ATOM 0 HG LEU A 109 15.637 -16.807 -8.544 1.00 61.52 H new ATOM 0 HD11 LEU A 109 14.419 -16.369 -6.449 1.00 33.34 H new ATOM 0 HD12 LEU A 109 15.088 -14.876 -7.149 1.00 33.34 H new ATOM 0 HD13 LEU A 109 13.352 -15.235 -7.312 1.00 33.34 H new ATOM 0 HD21 LEU A 109 13.728 -18.233 -7.911 1.00 5.32 H new ATOM 0 HD22 LEU A 109 12.635 -17.172 -8.831 1.00 5.32 H new ATOM 0 HD23 LEU A 109 13.895 -18.101 -9.678 1.00 5.32 H new ATOM 1716 N LYS A 110 13.371 -15.525 -13.207 1.00 61.55 N ATOM 1717 CA LYS A 110 12.892 -14.652 -14.272 1.00 50.13 C ATOM 1718 C LYS A 110 11.386 -14.806 -14.465 1.00 22.31 C ATOM 1719 O LYS A 110 10.858 -14.339 -15.472 1.00 42.22 O ATOM 1720 CB LYS A 110 13.619 -14.965 -15.582 1.00 44.41 C ATOM 1721 CG LYS A 110 13.413 -16.391 -16.065 1.00 44.45 C ATOM 1722 CD LYS A 110 14.043 -16.612 -17.431 1.00 34.11 C ATOM 1723 CE LYS A 110 15.550 -16.406 -17.390 1.00 5.35 C ATOM 1724 NZ LYS A 110 16.218 -16.967 -18.597 1.00 30.41 N1+ ATOM 0 H LYS A 110 13.088 -16.500 -13.302 1.00 61.55 H new ATOM 0 HA LYS A 110 13.101 -13.621 -13.985 1.00 50.13 H new ATOM 0 HB2 LYS A 110 13.275 -14.276 -16.353 1.00 44.41 H new ATOM 0 HB3 LYS A 110 14.686 -14.786 -15.448 1.00 44.41 H new ATOM 0 HG2 LYS A 110 13.847 -17.086 -15.346 1.00 44.45 H new ATOM 0 HG3 LYS A 110 12.346 -16.609 -16.115 1.00 44.45 H new ATOM 0 HD2 LYS A 110 13.822 -17.622 -17.776 1.00 34.11 H new ATOM 0 HD3 LYS A 110 13.600 -15.925 -18.152 1.00 34.11 H new ATOM 0 HE2 LYS A 110 15.769 -15.341 -17.315 1.00 5.35 H new ATOM 0 HE3 LYS A 110 15.957 -16.879 -16.496 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 17.244 -16.807 -18.532 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 16.030 -17.988 -18.655 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 15.848 -16.498 -19.448 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.165 -28.794 -9.413 1.00 74.02 C HETATM 1740 O1 PLM A 200 8.904 -28.304 -9.581 1.00 23.33 O HETATM 1741 O2 PLM A 200 10.565 -29.821 -9.954 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.037 -27.926 -8.468 1.00 54.31 C HETATM 1743 C3 PLM A 200 11.443 -26.592 -9.188 1.00 13.24 C HETATM 1744 C4 PLM A 200 10.981 -25.300 -8.477 1.00 51.32 C HETATM 1745 C5 PLM A 200 12.154 -24.345 -8.182 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.687 -23.049 -7.492 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.494 -21.820 -7.955 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.343 -20.629 -6.990 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.697 -20.167 -6.415 1.00 71.14 C HETATM 1750 CA PLM A 200 13.619 -19.603 -4.980 1.00 3.31 C HETATM 1751 CB PLM A 200 14.948 -18.916 -4.616 1.00 12.32 C HETATM 1752 CC PLM A 200 14.709 -18.207 -3.133 1.00 52.33 C HETATM 1753 CD PLM A 200 14.937 -19.221 -1.995 1.00 43.24 C HETATM 1754 CE PLM A 200 16.194 -20.081 -2.226 1.00 12.22 C HETATM 1755 CF PLM A 200 17.006 -20.282 -0.933 1.00 51.53 C HETATM 1756 CG PLM A 200 18.241 -21.162 -1.166 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.927 -22.141 -1.528 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.888 -20.692 -1.906 1.00 5.21 H new HETATM 0 HG1 PLM A 200 18.786 -21.279 -0.229 1.00 5.21 H new HETATM 0 HF2 PLM A 200 17.319 -19.312 -0.546 1.00 51.53 H new HETATM 0 HF1 PLM A 200 16.372 -20.739 -0.173 1.00 51.53 H new HETATM 0 HE2 PLM A 200 15.900 -21.053 -2.623 1.00 12.22 H new HETATM 0 HE1 PLM A 200 16.824 -19.607 -2.979 1.00 12.22 H new HETATM 0 HD2 PLM A 200 15.032 -18.688 -1.049 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.066 -19.870 -1.909 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.389 -17.363 -3.015 1.00 52.33 H new HETATM 0 HC1 PLM A 200 13.695 -17.810 -3.074 1.00 52.33 H new HETATM 0 HB2 PLM A 200 15.762 -19.639 -4.575 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.220 -18.172 -5.365 1.00 12.32 H new HETATM 0 HA2 PLM A 200 12.798 -18.890 -4.904 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.410 -20.407 -4.274 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.389 -21.009 -6.425 1.00 71.14 H new HETATM 0 H91 PLM A 200 14.115 -19.403 -7.071 1.00 71.14 H new HETATM 0 H82 PLM A 200 11.870 -19.798 -7.513 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.680 -20.909 -6.172 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.547 -22.088 -8.036 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.163 -21.524 -8.950 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.630 -22.888 -7.703 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.784 -23.159 -6.412 1.00 53.20 H new HETATM 0 H52 PLM A 200 12.882 -24.851 -7.548 1.00 43.34 H new HETATM 0 H51 PLM A 200 12.662 -24.096 -9.114 1.00 43.34 H new HETATM 0 H42 PLM A 200 10.246 -24.788 -9.099 1.00 51.32 H new HETATM 0 H41 PLM A 200 10.483 -25.560 -7.543 1.00 51.32 H new HETATM 0 H32 PLM A 200 12.528 -26.566 -9.287 1.00 13.24 H new HETATM 0 H31 PLM A 200 11.031 -26.601 -10.197 1.00 13.24 H new HETATM 0 H22 PLM A 200 10.486 -27.703 -7.554 1.00 54.31 H new HETATM 0 H21 PLM A 200 11.930 -28.477 -8.175 1.00 54.31 H new HETATM 0 H PLM A 200 8.801 -27.481 -9.059 1.00 23.33 H new