USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ -160:sc= 0.462 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.985 K(o=1.4,f=-2.2) USER MOD Set 2.1: A 73 GLN : amide:sc= -0.269 K(o=-0.3,f=-4.2!) USER MOD Set 2.2: A 74 TYR OH : rot 120:sc= -0.0301 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.229 K(o=-0.054,f=-8.8!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.175 USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0.991 USER MOD Set 4.2: A 27 SER OG : rot 39:sc= 1.43 USER MOD Single : A 4 THR OG1 : rot 23:sc= 0.166 USER MOD Single : A 10 THR OG1 : rot 77:sc= 0.864 USER MOD Single : A 15 THR OG1 : rot 82:sc= 1.12 USER MOD Single : A 16 CYS SG : rot -62:sc= -1.89 USER MOD Single : A 22 THR OG1 : rot -64:sc= 1.28 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -149:sc= -0.434 (180deg=-1.72!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0.562 (180deg=0.526) USER MOD Single : A 61 THR OG1 : rot 69:sc= 0.877 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 65 ASN : amide:sc= 0.32 X(o=0.32,f=-0.038) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -6.328 -2.598 2.522 1.00 0.00 N ATOM 46 CA THR A 4 -4.913 -2.266 2.646 1.00 0.00 C ATOM 47 C THR A 4 -4.600 -0.942 1.934 1.00 0.00 C ATOM 48 O THR A 4 -3.938 -0.083 2.499 1.00 0.00 O ATOM 49 CB THR A 4 -4.037 -3.401 2.043 1.00 0.00 C ATOM 50 OG1 THR A 4 -4.413 -4.656 2.619 1.00 0.00 O ATOM 51 CG2 THR A 4 -2.547 -3.157 2.287 1.00 0.00 C ATOM 0 HA THR A 4 -4.683 -2.158 3.706 1.00 0.00 H new ATOM 0 HB THR A 4 -4.205 -3.415 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.330 -4.598 2.961 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.969 -3.972 1.851 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.252 -2.215 1.825 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.357 -3.111 3.359 1.00 0.00 H new ATOM 59 N PHE A 5 -5.142 -0.790 0.703 1.00 0.00 N ATOM 60 CA PHE A 5 -5.000 0.440 -0.100 1.00 0.00 C ATOM 61 C PHE A 5 -5.451 1.681 0.696 1.00 0.00 C ATOM 62 O PHE A 5 -4.751 2.681 0.706 1.00 0.00 O ATOM 63 CB PHE A 5 -5.799 0.354 -1.448 1.00 0.00 C ATOM 64 CG PHE A 5 -6.128 1.734 -2.059 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.120 2.550 -2.563 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.433 2.243 -2.043 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.397 3.822 -3.025 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.705 3.510 -2.520 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.689 4.299 -3.004 1.00 0.00 C ATOM 0 H PHE A 5 -5.689 -1.517 0.242 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.941 0.538 -0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.220 -0.224 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.728 -0.189 -1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.105 2.183 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.237 1.637 -1.653 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.599 4.444 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.719 3.882 -2.513 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.904 5.293 -3.368 1.00 0.00 H new ATOM 79 N ASP A 6 -6.629 1.589 1.327 1.00 0.00 N ATOM 80 CA ASP A 6 -7.252 2.721 2.045 1.00 0.00 C ATOM 81 C ASP A 6 -6.308 3.233 3.153 1.00 0.00 C ATOM 82 O ASP A 6 -6.055 4.443 3.264 1.00 0.00 O ATOM 83 CB ASP A 6 -8.616 2.273 2.629 1.00 0.00 C ATOM 84 CG ASP A 6 -9.414 3.417 3.278 1.00 0.00 C ATOM 85 OD1 ASP A 6 -10.027 4.230 2.540 1.00 0.00 O ATOM 86 OD2 ASP A 6 -9.435 3.512 4.525 1.00 0.00 O ATOM 0 H ASP A 6 -7.180 0.731 1.357 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.426 3.544 1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.214 1.830 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.445 1.493 3.371 1.00 0.00 H new ATOM 91 N ARG A 7 -5.756 2.276 3.918 1.00 0.00 N ATOM 92 CA ARG A 7 -4.821 2.551 5.022 1.00 0.00 C ATOM 93 C ARG A 7 -3.454 3.076 4.518 1.00 0.00 C ATOM 94 O ARG A 7 -2.876 3.985 5.121 1.00 0.00 O ATOM 95 CB ARG A 7 -4.632 1.271 5.878 1.00 0.00 C ATOM 96 CG ARG A 7 -5.911 0.770 6.584 1.00 0.00 C ATOM 97 CD ARG A 7 -6.522 1.820 7.525 1.00 0.00 C ATOM 98 NE ARG A 7 -7.652 1.282 8.306 1.00 0.00 N ATOM 99 CZ ARG A 7 -8.893 1.805 8.362 1.00 0.00 C ATOM 100 NH1 ARG A 7 -9.255 2.813 7.563 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.778 1.289 9.206 1.00 0.00 N ATOM 0 H ARG A 7 -5.948 1.283 3.787 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.255 3.340 5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.252 0.475 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.869 1.465 6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.649 0.489 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.677 -0.130 7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.753 2.185 8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.862 2.675 6.940 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.479 0.439 8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.587 3.200 6.896 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.199 3.195 7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.516 0.505 9.803 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.720 1.677 9.257 1.00 0.00 H new ATOM 115 N VAL A 8 -2.961 2.519 3.398 1.00 0.00 N ATOM 116 CA VAL A 8 -1.646 2.877 2.813 1.00 0.00 C ATOM 117 C VAL A 8 -1.696 4.266 2.149 1.00 0.00 C ATOM 118 O VAL A 8 -0.748 5.037 2.248 1.00 0.00 O ATOM 119 CB VAL A 8 -1.178 1.776 1.781 1.00 0.00 C ATOM 120 CG1 VAL A 8 0.039 2.236 0.937 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.868 0.451 2.524 1.00 0.00 C ATOM 0 H VAL A 8 -3.461 1.805 2.868 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.916 2.920 3.621 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.997 1.611 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.321 1.444 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.225 3.132 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.878 2.456 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.546 -0.303 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.075 0.619 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.765 0.103 3.037 1.00 0.00 H new ATOM 131 N ALA A 9 -2.824 4.566 1.501 1.00 0.00 N ATOM 132 CA ALA A 9 -3.083 5.866 0.849 1.00 0.00 C ATOM 133 C ALA A 9 -3.156 6.980 1.906 1.00 0.00 C ATOM 134 O ALA A 9 -2.810 8.128 1.632 1.00 0.00 O ATOM 135 CB ALA A 9 -4.387 5.808 0.028 1.00 0.00 C ATOM 0 H ALA A 9 -3.598 3.908 1.409 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.262 6.087 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.562 6.774 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.300 5.039 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.222 5.570 0.687 1.00 0.00 H new ATOM 141 N THR A 10 -3.652 6.604 3.103 1.00 0.00 N ATOM 142 CA THR A 10 -3.629 7.459 4.304 1.00 0.00 C ATOM 143 C THR A 10 -2.186 7.728 4.767 1.00 0.00 C ATOM 144 O THR A 10 -1.824 8.874 5.020 1.00 0.00 O ATOM 145 CB THR A 10 -4.466 6.822 5.459 1.00 0.00 C ATOM 146 OG1 THR A 10 -5.830 6.690 5.031 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.410 7.635 6.774 1.00 0.00 C ATOM 0 H THR A 10 -4.082 5.693 3.262 1.00 0.00 H new ATOM 0 HA THR A 10 -4.083 8.414 4.039 1.00 0.00 H new ATOM 0 HB THR A 10 -4.028 5.848 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.910 5.924 4.425 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.012 7.138 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.377 7.703 7.116 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.801 8.637 6.599 1.00 0.00 H new ATOM 155 N ILE A 11 -1.371 6.661 4.862 1.00 0.00 N ATOM 156 CA ILE A 11 0.053 6.774 5.247 1.00 0.00 C ATOM 157 C ILE A 11 0.814 7.702 4.271 1.00 0.00 C ATOM 158 O ILE A 11 1.516 8.610 4.709 1.00 0.00 O ATOM 159 CB ILE A 11 0.731 5.351 5.324 1.00 0.00 C ATOM 160 CG1 ILE A 11 0.073 4.511 6.472 1.00 0.00 C ATOM 161 CG2 ILE A 11 2.270 5.445 5.499 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.555 3.074 6.604 1.00 0.00 C ATOM 0 H ILE A 11 -1.674 5.705 4.677 1.00 0.00 H new ATOM 0 HA ILE A 11 0.101 7.220 6.240 1.00 0.00 H new ATOM 0 HB ILE A 11 0.561 4.843 4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.252 5.022 7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.006 4.499 6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.693 4.441 5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.700 5.980 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.499 5.980 6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.033 2.589 7.429 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.351 2.535 5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.627 3.066 6.799 1.00 0.00 H new ATOM 174 N ILE A 12 0.617 7.486 2.959 1.00 0.00 N ATOM 175 CA ILE A 12 1.190 8.324 1.884 1.00 0.00 C ATOM 176 C ILE A 12 0.759 9.797 2.048 1.00 0.00 C ATOM 177 O ILE A 12 1.595 10.704 1.996 1.00 0.00 O ATOM 178 CB ILE A 12 0.759 7.774 0.461 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.432 6.392 0.189 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.055 8.781 -0.681 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.169 5.791 -1.179 1.00 0.00 C ATOM 0 H ILE A 12 0.049 6.715 2.608 1.00 0.00 H new ATOM 0 HA ILE A 12 2.276 8.277 1.958 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.323 7.640 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.509 6.501 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.091 5.687 0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.740 8.354 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.509 9.707 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.124 8.991 -0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.683 4.833 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.097 5.640 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.537 6.467 -1.950 1.00 0.00 H new ATOM 193 N ALA A 13 -0.557 10.000 2.241 1.00 0.00 N ATOM 194 CA ALA A 13 -1.166 11.325 2.465 1.00 0.00 C ATOM 195 C ALA A 13 -0.504 12.108 3.618 1.00 0.00 C ATOM 196 O ALA A 13 -0.111 13.266 3.448 1.00 0.00 O ATOM 197 CB ALA A 13 -2.673 11.167 2.724 1.00 0.00 C ATOM 0 H ALA A 13 -1.236 9.239 2.246 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.002 11.910 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.119 12.148 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.143 10.695 1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.827 10.545 3.606 1.00 0.00 H new ATOM 203 N GLU A 14 -0.384 11.458 4.784 1.00 0.00 N ATOM 204 CA GLU A 14 0.152 12.086 6.008 1.00 0.00 C ATOM 205 C GLU A 14 1.678 12.278 5.935 1.00 0.00 C ATOM 206 O GLU A 14 2.216 13.200 6.556 1.00 0.00 O ATOM 207 CB GLU A 14 -0.237 11.253 7.258 1.00 0.00 C ATOM 208 CG GLU A 14 -1.755 10.983 7.409 1.00 0.00 C ATOM 209 CD GLU A 14 -2.635 12.242 7.269 1.00 0.00 C ATOM 210 OE1 GLU A 14 -2.762 13.006 8.249 1.00 0.00 O ATOM 211 OE2 GLU A 14 -3.203 12.475 6.177 1.00 0.00 O ATOM 0 H GLU A 14 -0.655 10.483 4.909 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.294 13.077 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.286 10.297 7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.116 11.773 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.060 10.254 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.938 10.532 8.384 1.00 0.00 H new ATOM 218 N THR A 15 2.367 11.409 5.175 1.00 0.00 N ATOM 219 CA THR A 15 3.829 11.472 5.012 1.00 0.00 C ATOM 220 C THR A 15 4.230 12.622 4.071 1.00 0.00 C ATOM 221 O THR A 15 5.076 13.454 4.414 1.00 0.00 O ATOM 222 CB THR A 15 4.397 10.109 4.475 1.00 0.00 C ATOM 223 OG1 THR A 15 4.137 9.069 5.432 1.00 0.00 O ATOM 224 CG2 THR A 15 5.910 10.156 4.187 1.00 0.00 C ATOM 0 H THR A 15 1.928 10.647 4.659 1.00 0.00 H new ATOM 0 HA THR A 15 4.261 11.662 5.994 1.00 0.00 H new ATOM 0 HB THR A 15 3.891 9.908 3.530 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.218 8.747 5.323 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.241 9.185 3.819 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.114 10.918 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.447 10.399 5.104 1.00 0.00 H new ATOM 232 N CYS A 16 3.595 12.675 2.888 1.00 0.00 N ATOM 233 CA CYS A 16 3.959 13.606 1.806 1.00 0.00 C ATOM 234 C CYS A 16 3.122 14.904 1.838 1.00 0.00 C ATOM 235 O CYS A 16 3.280 15.759 0.956 1.00 0.00 O ATOM 236 CB CYS A 16 3.785 12.869 0.459 1.00 0.00 C ATOM 237 SG CYS A 16 4.750 11.343 0.348 1.00 0.00 S ATOM 0 H CYS A 16 2.809 12.069 2.654 1.00 0.00 H new ATOM 0 HA CYS A 16 4.996 13.915 1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.730 12.635 0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.078 13.536 -0.352 1.00 0.00 H new ATOM 0 HG CYS A 16 6.016 11.622 0.444 1.00 0.00 H new ATOM 243 N ASP A 17 2.275 15.052 2.884 1.00 0.00 N ATOM 244 CA ASP A 17 1.335 16.187 3.062 1.00 0.00 C ATOM 245 C ASP A 17 0.510 16.459 1.775 1.00 0.00 C ATOM 246 O ASP A 17 0.660 17.496 1.121 1.00 0.00 O ATOM 247 CB ASP A 17 2.109 17.448 3.561 1.00 0.00 C ATOM 248 CG ASP A 17 1.187 18.566 4.081 1.00 0.00 C ATOM 249 OD1 ASP A 17 0.692 18.450 5.224 1.00 0.00 O ATOM 250 OD2 ASP A 17 0.949 19.563 3.364 1.00 0.00 O ATOM 0 H ASP A 17 2.224 14.373 3.643 1.00 0.00 H new ATOM 0 HA ASP A 17 0.607 15.921 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.794 17.153 4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.717 17.839 2.745 1.00 0.00 H new ATOM 255 N ILE A 18 -0.330 15.481 1.401 1.00 0.00 N ATOM 256 CA ILE A 18 -1.111 15.497 0.139 1.00 0.00 C ATOM 257 C ILE A 18 -2.522 14.920 0.400 1.00 0.00 C ATOM 258 O ILE A 18 -2.657 14.024 1.231 1.00 0.00 O ATOM 259 CB ILE A 18 -0.383 14.693 -1.020 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.016 13.240 -0.571 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.873 15.449 -1.527 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.654 12.384 -1.639 1.00 0.00 C ATOM 0 H ILE A 18 -0.492 14.647 1.966 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.195 16.531 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.086 14.615 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.646 13.299 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.925 12.737 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.349 14.873 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.579 16.425 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.575 15.582 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.869 11.396 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.011 12.286 -2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.584 12.857 -1.953 1.00 0.00 H new ATOM 274 N PRO A 19 -3.600 15.434 -0.295 1.00 0.00 N ATOM 275 CA PRO A 19 -5.001 14.977 -0.076 1.00 0.00 C ATOM 276 C PRO A 19 -5.174 13.467 -0.350 1.00 0.00 C ATOM 277 O PRO A 19 -4.926 13.021 -1.463 1.00 0.00 O ATOM 278 CB PRO A 19 -5.836 15.838 -1.076 1.00 0.00 C ATOM 279 CG PRO A 19 -4.957 17.010 -1.393 1.00 0.00 C ATOM 280 CD PRO A 19 -3.541 16.488 -1.340 1.00 0.00 C ATOM 0 HA PRO A 19 -5.316 15.105 0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.083 15.273 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.779 16.158 -0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.187 17.417 -2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.104 17.815 -0.673 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.226 16.083 -2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.833 17.274 -1.078 1.00 0.00 H new ATOM 288 N ARG A 20 -5.594 12.706 0.681 1.00 0.00 N ATOM 289 CA ARG A 20 -5.794 11.232 0.625 1.00 0.00 C ATOM 290 C ARG A 20 -6.654 10.809 -0.594 1.00 0.00 C ATOM 291 O ARG A 20 -6.380 9.782 -1.229 1.00 0.00 O ATOM 292 CB ARG A 20 -6.445 10.758 1.973 1.00 0.00 C ATOM 293 CG ARG A 20 -6.170 9.283 2.402 1.00 0.00 C ATOM 294 CD ARG A 20 -6.846 8.201 1.543 1.00 0.00 C ATOM 295 NE ARG A 20 -8.306 8.349 1.519 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.167 7.450 1.039 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.746 6.269 0.582 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.458 7.738 1.025 1.00 0.00 N ATOM 0 H ARG A 20 -5.810 13.101 1.597 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.825 10.750 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.096 11.415 2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.524 10.895 1.897 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.093 9.114 2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.496 9.158 3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.460 8.253 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.588 7.216 1.932 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.695 9.211 1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.752 6.042 0.596 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.418 5.594 0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.784 8.638 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.128 7.060 0.661 1.00 0.00 H new ATOM 312 N GLU A 21 -7.629 11.664 -0.952 1.00 0.00 N ATOM 313 CA GLU A 21 -8.642 11.361 -1.983 1.00 0.00 C ATOM 314 C GLU A 21 -8.040 11.374 -3.402 1.00 0.00 C ATOM 315 O GLU A 21 -8.558 10.705 -4.303 1.00 0.00 O ATOM 316 CB GLU A 21 -9.817 12.372 -1.896 1.00 0.00 C ATOM 317 CG GLU A 21 -9.424 13.847 -2.112 1.00 0.00 C ATOM 318 CD GLU A 21 -10.639 14.782 -2.176 1.00 0.00 C ATOM 319 OE1 GLU A 21 -11.254 14.889 -3.263 1.00 0.00 O ATOM 320 OE2 GLU A 21 -11.001 15.396 -1.145 1.00 0.00 O ATOM 0 H GLU A 21 -7.738 12.588 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.014 10.355 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.567 12.099 -2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.287 12.276 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.768 14.166 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.854 13.935 -3.037 1.00 0.00 H new ATOM 327 N THR A 22 -6.939 12.126 -3.593 1.00 0.00 N ATOM 328 CA THR A 22 -6.289 12.272 -4.910 1.00 0.00 C ATOM 329 C THR A 22 -5.418 11.042 -5.241 1.00 0.00 C ATOM 330 O THR A 22 -4.981 10.873 -6.386 1.00 0.00 O ATOM 331 CB THR A 22 -5.432 13.587 -4.987 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.372 13.557 -4.022 1.00 0.00 O ATOM 333 CG2 THR A 22 -6.285 14.849 -4.750 1.00 0.00 C ATOM 0 H THR A 22 -6.478 12.645 -2.846 1.00 0.00 H new ATOM 0 HA THR A 22 -7.082 12.342 -5.655 1.00 0.00 H new ATOM 0 HB THR A 22 -5.019 13.632 -5.995 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.752 13.541 -3.119 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.651 15.734 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.066 14.908 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.742 14.799 -3.762 1.00 0.00 H new ATOM 341 N ILE A 23 -5.181 10.172 -4.230 1.00 0.00 N ATOM 342 CA ILE A 23 -4.443 8.918 -4.415 1.00 0.00 C ATOM 343 C ILE A 23 -5.477 7.833 -4.785 1.00 0.00 C ATOM 344 O ILE A 23 -6.229 7.364 -3.924 1.00 0.00 O ATOM 345 CB ILE A 23 -3.621 8.484 -3.121 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.467 9.494 -2.761 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.034 7.061 -3.291 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.899 10.841 -2.217 1.00 0.00 C ATOM 0 H ILE A 23 -5.497 10.326 -3.273 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.702 9.054 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.331 8.490 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.815 9.021 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.868 9.663 -3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.477 6.788 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.845 6.349 -3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.366 7.043 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.018 11.448 -2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.522 11.348 -2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.468 10.697 -1.299 1.00 0.00 H new ATOM 360 N THR A 24 -5.553 7.503 -6.079 1.00 0.00 N ATOM 361 CA THR A 24 -6.462 6.469 -6.605 1.00 0.00 C ATOM 362 C THR A 24 -5.846 5.066 -6.387 1.00 0.00 C ATOM 363 O THR A 24 -4.629 4.973 -6.172 1.00 0.00 O ATOM 364 CB THR A 24 -6.723 6.728 -8.128 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.494 6.632 -8.868 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.359 8.114 -8.368 1.00 0.00 C ATOM 0 H THR A 24 -4.983 7.947 -6.799 1.00 0.00 H new ATOM 0 HA THR A 24 -7.413 6.513 -6.073 1.00 0.00 H new ATOM 0 HB THR A 24 -7.421 5.966 -8.474 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.671 6.794 -9.818 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.525 8.258 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.311 8.173 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.690 8.890 -7.997 1.00 0.00 H new ATOM 374 N PRO A 25 -6.652 3.942 -6.437 1.00 0.00 N ATOM 375 CA PRO A 25 -6.112 2.565 -6.277 1.00 0.00 C ATOM 376 C PRO A 25 -5.017 2.239 -7.313 1.00 0.00 C ATOM 377 O PRO A 25 -4.079 1.514 -7.028 1.00 0.00 O ATOM 378 CB PRO A 25 -7.359 1.643 -6.439 1.00 0.00 C ATOM 379 CG PRO A 25 -8.390 2.505 -7.106 1.00 0.00 C ATOM 380 CD PRO A 25 -8.131 3.911 -6.609 1.00 0.00 C ATOM 0 HA PRO A 25 -5.619 2.431 -5.314 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.126 0.766 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.711 1.281 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.303 2.451 -8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.398 2.179 -6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.469 4.660 -7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.650 4.109 -5.671 1.00 0.00 H new ATOM 388 N GLU A 26 -5.114 2.856 -8.493 1.00 0.00 N ATOM 389 CA GLU A 26 -4.209 2.575 -9.620 1.00 0.00 C ATOM 390 C GLU A 26 -3.178 3.719 -9.806 1.00 0.00 C ATOM 391 O GLU A 26 -2.577 3.854 -10.876 1.00 0.00 O ATOM 392 CB GLU A 26 -5.040 2.285 -10.893 1.00 0.00 C ATOM 393 CG GLU A 26 -6.063 1.131 -10.716 1.00 0.00 C ATOM 394 CD GLU A 26 -6.849 0.797 -11.995 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.866 1.467 -12.282 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.452 -0.138 -12.722 1.00 0.00 O ATOM 0 H GLU A 26 -5.819 3.564 -8.698 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.622 1.682 -9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.573 3.191 -11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.363 2.037 -11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.535 0.238 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.767 1.399 -9.928 1.00 0.00 H new ATOM 403 N SER A 27 -2.972 4.528 -8.734 1.00 0.00 N ATOM 404 CA SER A 27 -1.889 5.543 -8.680 1.00 0.00 C ATOM 405 C SER A 27 -0.536 4.839 -8.538 1.00 0.00 C ATOM 406 O SER A 27 -0.377 3.997 -7.661 1.00 0.00 O ATOM 407 CB SER A 27 -2.075 6.508 -7.471 1.00 0.00 C ATOM 408 OG SER A 27 -3.146 7.403 -7.676 1.00 0.00 O ATOM 0 H SER A 27 -3.546 4.495 -7.891 1.00 0.00 H new ATOM 0 HA SER A 27 -1.927 6.123 -9.602 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.255 5.927 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.156 7.071 -7.311 1.00 0.00 H new ATOM 0 HG SER A 27 -3.886 6.933 -8.115 1.00 0.00 H new ATOM 414 N HIS A 28 0.420 5.176 -9.403 1.00 0.00 N ATOM 415 CA HIS A 28 1.808 4.739 -9.248 1.00 0.00 C ATOM 416 C HIS A 28 2.480 5.676 -8.224 1.00 0.00 C ATOM 417 O HIS A 28 2.641 6.863 -8.500 1.00 0.00 O ATOM 418 CB HIS A 28 2.544 4.778 -10.608 1.00 0.00 C ATOM 419 CG HIS A 28 3.862 4.047 -10.592 1.00 0.00 C ATOM 420 ND1 HIS A 28 4.957 4.553 -9.940 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.199 2.866 -11.155 1.00 0.00 C ATOM 422 CE1 HIS A 28 5.921 3.675 -10.121 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.512 2.638 -10.856 1.00 0.00 N ATOM 0 H HIS A 28 0.256 5.756 -10.226 1.00 0.00 H new ATOM 0 HA HIS A 28 1.849 3.709 -8.893 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.903 4.341 -11.373 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.715 5.817 -10.891 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.552 2.223 -11.733 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.920 3.780 -9.724 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.071 1.833 -11.139 1.00 0.00 H new ATOM 431 N ALA A 29 2.822 5.148 -7.038 1.00 0.00 N ATOM 432 CA ALA A 29 3.452 5.905 -5.937 1.00 0.00 C ATOM 433 C ALA A 29 4.630 6.797 -6.387 1.00 0.00 C ATOM 434 O ALA A 29 4.764 7.930 -5.920 1.00 0.00 O ATOM 435 CB ALA A 29 3.908 4.922 -4.844 1.00 0.00 C ATOM 0 H ALA A 29 2.667 4.166 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 29 2.698 6.589 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.374 5.475 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.045 4.374 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.628 4.220 -5.264 1.00 0.00 H new ATOM 441 N ILE A 30 5.442 6.310 -7.342 1.00 0.00 N ATOM 442 CA ILE A 30 6.648 7.030 -7.779 1.00 0.00 C ATOM 443 C ILE A 30 6.310 7.950 -8.968 1.00 0.00 C ATOM 444 O ILE A 30 6.461 9.165 -8.881 1.00 0.00 O ATOM 445 CB ILE A 30 7.832 6.048 -8.140 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.193 5.147 -6.911 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.077 6.831 -8.645 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.347 4.177 -7.140 1.00 0.00 C ATOM 0 H ILE A 30 5.285 5.425 -7.823 1.00 0.00 H new ATOM 0 HA ILE A 30 6.992 7.640 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 30 7.500 5.400 -8.951 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.442 5.791 -6.068 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.309 4.576 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.875 6.129 -8.886 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.812 7.399 -9.537 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.417 7.514 -7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.521 3.598 -6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.098 3.502 -7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.248 4.736 -7.392 1.00 0.00 H new ATOM 460 N ASP A 31 5.801 7.356 -10.050 1.00 0.00 N ATOM 461 CA ASP A 31 5.605 8.033 -11.352 1.00 0.00 C ATOM 462 C ASP A 31 4.406 8.999 -11.332 1.00 0.00 C ATOM 463 O ASP A 31 4.515 10.143 -11.785 1.00 0.00 O ATOM 464 CB ASP A 31 5.419 6.962 -12.459 1.00 0.00 C ATOM 465 CG ASP A 31 5.214 7.558 -13.866 1.00 0.00 C ATOM 466 OD1 ASP A 31 6.204 8.019 -14.477 1.00 0.00 O ATOM 467 OD2 ASP A 31 4.069 7.577 -14.362 1.00 0.00 O ATOM 0 H ASP A 31 5.507 6.379 -10.056 1.00 0.00 H new ATOM 0 HA ASP A 31 6.490 8.634 -11.559 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.293 6.311 -12.473 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.561 6.338 -12.209 1.00 0.00 H new ATOM 472 N ASP A 32 3.275 8.537 -10.783 1.00 0.00 N ATOM 473 CA ASP A 32 1.998 9.290 -10.793 1.00 0.00 C ATOM 474 C ASP A 32 1.999 10.327 -9.658 1.00 0.00 C ATOM 475 O ASP A 32 1.858 11.528 -9.907 1.00 0.00 O ATOM 476 CB ASP A 32 0.799 8.304 -10.661 1.00 0.00 C ATOM 477 CG ASP A 32 -0.580 8.982 -10.522 1.00 0.00 C ATOM 478 OD1 ASP A 32 -1.182 9.349 -11.551 1.00 0.00 O ATOM 479 OD2 ASP A 32 -1.077 9.149 -9.381 1.00 0.00 O ATOM 0 H ASP A 32 3.212 7.632 -10.318 1.00 0.00 H new ATOM 0 HA ASP A 32 1.893 9.822 -11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.783 7.654 -11.536 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.964 7.666 -9.793 1.00 0.00 H new ATOM 484 N LEU A 33 2.204 9.853 -8.414 1.00 0.00 N ATOM 485 CA LEU A 33 2.175 10.706 -7.207 1.00 0.00 C ATOM 486 C LEU A 33 3.446 11.585 -7.089 1.00 0.00 C ATOM 487 O LEU A 33 3.471 12.525 -6.294 1.00 0.00 O ATOM 488 CB LEU A 33 1.985 9.829 -5.937 1.00 0.00 C ATOM 489 CG LEU A 33 0.688 8.959 -5.887 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.632 8.107 -4.599 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.586 9.822 -6.053 1.00 0.00 C ATOM 0 H LEU A 33 2.394 8.871 -8.216 1.00 0.00 H new ATOM 0 HA LEU A 33 1.327 11.384 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.846 9.166 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.993 10.483 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 33 0.724 8.273 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.282 7.513 -4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.496 7.443 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.643 8.763 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.467 9.182 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.635 10.557 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.555 10.336 -7.014 1.00 0.00 H new ATOM 503 N GLY A 34 4.483 11.282 -7.898 1.00 0.00 N ATOM 504 CA GLY A 34 5.730 12.061 -7.902 1.00 0.00 C ATOM 505 C GLY A 34 6.530 11.933 -6.607 1.00 0.00 C ATOM 506 O GLY A 34 7.187 12.888 -6.179 1.00 0.00 O ATOM 0 H GLY A 34 4.477 10.502 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.350 11.735 -8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.493 13.111 -8.071 1.00 0.00 H new ATOM 510 N ILE A 35 6.469 10.747 -5.984 1.00 0.00 N ATOM 511 CA ILE A 35 7.180 10.447 -4.729 1.00 0.00 C ATOM 512 C ILE A 35 8.394 9.578 -5.058 1.00 0.00 C ATOM 513 O ILE A 35 8.230 8.461 -5.541 1.00 0.00 O ATOM 514 CB ILE A 35 6.241 9.690 -3.718 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.977 10.549 -3.403 1.00 0.00 C ATOM 516 CG2 ILE A 35 6.996 9.286 -2.424 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.914 9.838 -2.584 1.00 0.00 C ATOM 0 H ILE A 35 5.922 9.963 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 35 7.494 11.380 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 35 5.913 8.764 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.288 11.446 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.533 10.876 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.313 8.766 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.827 8.628 -2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.379 10.180 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.074 10.512 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.569 8.956 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.335 9.535 -1.625 1.00 0.00 H new ATOM 529 N ASP A 36 9.607 10.081 -4.791 1.00 0.00 N ATOM 530 CA ASP A 36 10.850 9.357 -5.123 1.00 0.00 C ATOM 531 C ASP A 36 10.997 8.125 -4.205 1.00 0.00 C ATOM 532 O ASP A 36 10.448 8.105 -3.100 1.00 0.00 O ATOM 533 CB ASP A 36 12.090 10.293 -4.991 1.00 0.00 C ATOM 534 CG ASP A 36 13.349 9.735 -5.694 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.029 8.847 -5.131 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.644 10.158 -6.833 1.00 0.00 O ATOM 0 H ASP A 36 9.758 10.986 -4.346 1.00 0.00 H new ATOM 0 HA ASP A 36 10.794 9.022 -6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.848 11.268 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.310 10.448 -3.935 1.00 0.00 H new ATOM 541 N SER A 37 11.759 7.125 -4.674 1.00 0.00 N ATOM 542 CA SER A 37 12.013 5.871 -3.942 1.00 0.00 C ATOM 543 C SER A 37 12.679 6.129 -2.570 1.00 0.00 C ATOM 544 O SER A 37 12.423 5.388 -1.611 1.00 0.00 O ATOM 545 CB SER A 37 12.876 4.935 -4.819 1.00 0.00 C ATOM 546 OG SER A 37 14.056 5.584 -5.285 1.00 0.00 O ATOM 0 H SER A 37 12.222 7.163 -5.582 1.00 0.00 H new ATOM 0 HA SER A 37 11.058 5.389 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.151 4.050 -4.245 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.289 4.592 -5.671 1.00 0.00 H new ATOM 0 HG SER A 37 14.577 4.961 -5.834 1.00 0.00 H new ATOM 552 N LEU A 38 13.472 7.226 -2.464 1.00 0.00 N ATOM 553 CA LEU A 38 14.183 7.581 -1.211 1.00 0.00 C ATOM 554 C LEU A 38 13.191 8.092 -0.152 1.00 0.00 C ATOM 555 O LEU A 38 13.394 7.912 1.053 1.00 0.00 O ATOM 556 CB LEU A 38 15.338 8.614 -1.482 1.00 0.00 C ATOM 557 CG LEU A 38 14.981 9.993 -2.172 1.00 0.00 C ATOM 558 CD1 LEU A 38 14.340 11.028 -1.215 1.00 0.00 C ATOM 559 CD2 LEU A 38 16.215 10.594 -2.876 1.00 0.00 C ATOM 0 H LEU A 38 13.634 7.879 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 38 14.652 6.680 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.813 8.836 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 38 16.085 8.118 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 38 14.219 9.760 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.125 11.946 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.414 10.623 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.030 11.245 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.943 11.541 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.005 10.764 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.571 9.903 -3.640 1.00 0.00 H new ATOM 571 N ASP A 39 12.117 8.735 -0.636 1.00 0.00 N ATOM 572 CA ASP A 39 11.042 9.292 0.202 1.00 0.00 C ATOM 573 C ASP A 39 10.057 8.177 0.579 1.00 0.00 C ATOM 574 O ASP A 39 9.538 8.134 1.702 1.00 0.00 O ATOM 575 CB ASP A 39 10.322 10.430 -0.568 1.00 0.00 C ATOM 576 CG ASP A 39 9.350 11.226 0.315 1.00 0.00 C ATOM 577 OD1 ASP A 39 8.163 10.843 0.433 1.00 0.00 O ATOM 578 OD2 ASP A 39 9.781 12.234 0.923 1.00 0.00 O ATOM 0 H ASP A 39 11.968 8.885 -1.634 1.00 0.00 H new ATOM 0 HA ASP A 39 11.462 9.707 1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.067 11.109 -0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.775 10.004 -1.409 1.00 0.00 H new ATOM 583 N PHE A 40 9.850 7.254 -0.380 1.00 0.00 N ATOM 584 CA PHE A 40 8.936 6.121 -0.226 1.00 0.00 C ATOM 585 C PHE A 40 9.480 5.112 0.820 1.00 0.00 C ATOM 586 O PHE A 40 8.716 4.310 1.355 1.00 0.00 O ATOM 587 CB PHE A 40 8.681 5.424 -1.596 1.00 0.00 C ATOM 588 CG PHE A 40 7.528 4.413 -1.551 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.206 4.847 -1.625 1.00 0.00 C ATOM 590 CD2 PHE A 40 7.759 3.047 -1.388 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.159 3.951 -1.534 1.00 0.00 C ATOM 592 CE2 PHE A 40 6.708 2.154 -1.306 1.00 0.00 C ATOM 593 CZ PHE A 40 5.413 2.605 -1.377 1.00 0.00 C ATOM 0 H PHE A 40 10.318 7.280 -1.286 1.00 0.00 H new ATOM 0 HA PHE A 40 7.982 6.501 0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.462 6.182 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.591 4.914 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.997 5.899 -1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.774 2.682 -1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.140 4.305 -1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.905 1.099 -1.186 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.593 1.905 -1.310 1.00 0.00 H new ATOM 603 N LEU A 41 10.813 5.146 1.081 1.00 0.00 N ATOM 604 CA LEU A 41 11.448 4.374 2.188 1.00 0.00 C ATOM 605 C LEU A 41 10.722 4.623 3.535 1.00 0.00 C ATOM 606 O LEU A 41 10.456 3.678 4.285 1.00 0.00 O ATOM 607 CB LEU A 41 12.953 4.749 2.335 1.00 0.00 C ATOM 608 CG LEU A 41 13.882 4.403 1.131 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.328 4.876 1.391 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.837 2.898 0.799 1.00 0.00 C ATOM 0 H LEU A 41 11.474 5.702 0.538 1.00 0.00 H new ATOM 0 HA LEU A 41 11.365 3.317 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.020 5.821 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.343 4.248 3.221 1.00 0.00 H new ATOM 0 HG LEU A 41 13.507 4.941 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.953 4.622 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.337 5.956 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.717 4.385 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.496 2.692 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.166 2.324 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.817 2.613 0.541 1.00 0.00 H new ATOM 622 N ASP A 42 10.395 5.902 3.798 1.00 0.00 N ATOM 623 CA ASP A 42 9.699 6.336 5.032 1.00 0.00 C ATOM 624 C ASP A 42 8.235 5.877 5.032 1.00 0.00 C ATOM 625 O ASP A 42 7.723 5.426 6.061 1.00 0.00 O ATOM 626 CB ASP A 42 9.780 7.876 5.191 1.00 0.00 C ATOM 627 CG ASP A 42 9.124 8.397 6.483 1.00 0.00 C ATOM 628 OD1 ASP A 42 9.603 8.053 7.586 1.00 0.00 O ATOM 629 OD2 ASP A 42 8.148 9.162 6.414 1.00 0.00 O ATOM 0 H ASP A 42 10.605 6.670 3.160 1.00 0.00 H new ATOM 0 HA ASP A 42 10.201 5.870 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.827 8.180 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.299 8.347 4.334 1.00 0.00 H new ATOM 634 N ILE A 43 7.575 5.990 3.861 1.00 0.00 N ATOM 635 CA ILE A 43 6.182 5.532 3.680 1.00 0.00 C ATOM 636 C ILE A 43 6.076 4.029 3.990 1.00 0.00 C ATOM 637 O ILE A 43 5.230 3.606 4.777 1.00 0.00 O ATOM 638 CB ILE A 43 5.661 5.800 2.216 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.708 7.327 1.879 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.240 5.216 2.013 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.197 7.699 0.497 1.00 0.00 C ATOM 0 H ILE A 43 7.988 6.397 3.022 1.00 0.00 H new ATOM 0 HA ILE A 43 5.560 6.101 4.371 1.00 0.00 H new ATOM 0 HB ILE A 43 6.326 5.287 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.121 7.866 2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.737 7.672 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.907 5.416 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.261 4.140 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.551 5.681 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.271 8.778 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.797 7.195 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.156 7.391 0.399 1.00 0.00 H new ATOM 653 N ALA A 44 7.006 3.256 3.413 1.00 0.00 N ATOM 654 CA ALA A 44 7.013 1.790 3.493 1.00 0.00 C ATOM 655 C ALA A 44 7.401 1.330 4.905 1.00 0.00 C ATOM 656 O ALA A 44 6.921 0.312 5.378 1.00 0.00 O ATOM 657 CB ALA A 44 7.974 1.209 2.446 1.00 0.00 C ATOM 0 H ALA A 44 7.783 3.636 2.872 1.00 0.00 H new ATOM 0 HA ALA A 44 6.009 1.422 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.972 0.121 2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.652 1.511 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.982 1.582 2.630 1.00 0.00 H new ATOM 663 N PHE A 45 8.297 2.095 5.552 1.00 0.00 N ATOM 664 CA PHE A 45 8.696 1.876 6.958 1.00 0.00 C ATOM 665 C PHE A 45 7.490 2.050 7.901 1.00 0.00 C ATOM 666 O PHE A 45 7.336 1.298 8.861 1.00 0.00 O ATOM 667 CB PHE A 45 9.846 2.853 7.334 1.00 0.00 C ATOM 668 CG PHE A 45 10.447 2.646 8.727 1.00 0.00 C ATOM 669 CD1 PHE A 45 11.066 1.441 9.061 1.00 0.00 C ATOM 670 CD2 PHE A 45 10.406 3.653 9.691 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.621 1.254 10.310 1.00 0.00 C ATOM 672 CE2 PHE A 45 10.958 3.462 10.939 1.00 0.00 C ATOM 673 CZ PHE A 45 11.566 2.265 11.248 1.00 0.00 C ATOM 0 H PHE A 45 8.768 2.887 5.115 1.00 0.00 H new ATOM 0 HA PHE A 45 9.056 0.853 7.070 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.641 2.755 6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.471 3.874 7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.111 0.645 8.333 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.935 4.596 9.456 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.099 0.317 10.554 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.914 4.251 11.675 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.000 2.117 12.226 1.00 0.00 H new ATOM 683 N ALA A 46 6.626 3.028 7.585 1.00 0.00 N ATOM 684 CA ALA A 46 5.405 3.304 8.367 1.00 0.00 C ATOM 685 C ALA A 46 4.358 2.189 8.174 1.00 0.00 C ATOM 686 O ALA A 46 3.686 1.795 9.126 1.00 0.00 O ATOM 687 CB ALA A 46 4.820 4.661 7.976 1.00 0.00 C ATOM 0 H ALA A 46 6.751 3.648 6.785 1.00 0.00 H new ATOM 0 HA ALA A 46 5.677 3.330 9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.920 4.851 8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.553 5.444 8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.569 4.657 6.915 1.00 0.00 H new ATOM 693 N ILE A 47 4.233 1.703 6.924 1.00 0.00 N ATOM 694 CA ILE A 47 3.343 0.575 6.567 1.00 0.00 C ATOM 695 C ILE A 47 3.794 -0.709 7.290 1.00 0.00 C ATOM 696 O ILE A 47 2.990 -1.441 7.861 1.00 0.00 O ATOM 697 CB ILE A 47 3.362 0.321 5.013 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.878 1.573 4.215 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.535 -0.925 4.635 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.118 1.496 2.710 1.00 0.00 C ATOM 0 H ILE A 47 4.747 2.081 6.129 1.00 0.00 H new ATOM 0 HA ILE A 47 2.331 0.835 6.876 1.00 0.00 H new ATOM 0 HB ILE A 47 4.399 0.133 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.812 1.712 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.384 2.455 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.570 -1.071 3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.949 -1.802 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.501 -0.784 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.752 2.407 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.186 1.391 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.589 0.636 2.301 1.00 0.00 H new ATOM 712 N ASP A 48 5.106 -0.935 7.235 1.00 0.00 N ATOM 713 CA ASP A 48 5.805 -2.080 7.852 1.00 0.00 C ATOM 714 C ASP A 48 5.408 -2.228 9.334 1.00 0.00 C ATOM 715 O ASP A 48 4.960 -3.290 9.776 1.00 0.00 O ATOM 716 CB ASP A 48 7.327 -1.810 7.702 1.00 0.00 C ATOM 717 CG ASP A 48 8.244 -2.891 8.271 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.594 -2.829 9.473 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.656 -3.784 7.509 1.00 0.00 O ATOM 0 H ASP A 48 5.742 -0.307 6.743 1.00 0.00 H new ATOM 0 HA ASP A 48 5.532 -3.015 7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.554 -1.685 6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.561 -0.865 8.191 1.00 0.00 H new ATOM 724 N LYS A 49 5.542 -1.115 10.058 1.00 0.00 N ATOM 725 CA LYS A 49 5.251 -1.025 11.497 1.00 0.00 C ATOM 726 C LYS A 49 3.735 -1.131 11.778 1.00 0.00 C ATOM 727 O LYS A 49 3.319 -1.838 12.705 1.00 0.00 O ATOM 728 CB LYS A 49 5.822 0.308 12.041 1.00 0.00 C ATOM 729 CG LYS A 49 7.356 0.455 11.874 1.00 0.00 C ATOM 730 CD LYS A 49 7.896 1.870 12.234 1.00 0.00 C ATOM 731 CE LYS A 49 8.070 2.125 13.749 1.00 0.00 C ATOM 732 NZ LYS A 49 6.798 2.067 14.508 1.00 0.00 N ATOM 0 H LYS A 49 5.861 -0.233 9.657 1.00 0.00 H new ATOM 0 HA LYS A 49 5.726 -1.863 12.007 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.331 1.136 11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.573 0.393 13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.853 -0.284 12.503 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.623 0.226 10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.858 2.014 11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.215 2.619 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.761 1.387 14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.527 3.104 13.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.849 2.714 15.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.011 2.350 13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.640 1.097 14.847 1.00 0.00 H new ATOM 746 N ALA A 50 2.925 -0.436 10.950 1.00 0.00 N ATOM 747 CA ALA A 50 1.455 -0.353 11.120 1.00 0.00 C ATOM 748 C ALA A 50 0.784 -1.734 10.990 1.00 0.00 C ATOM 749 O ALA A 50 0.001 -2.138 11.853 1.00 0.00 O ATOM 750 CB ALA A 50 0.851 0.630 10.097 1.00 0.00 C ATOM 0 H ALA A 50 3.271 0.084 10.144 1.00 0.00 H new ATOM 0 HA ALA A 50 1.263 0.015 12.128 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.229 0.680 10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.282 1.620 10.245 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.073 0.286 9.087 1.00 0.00 H new ATOM 756 N PHE A 51 1.125 -2.457 9.913 1.00 0.00 N ATOM 757 CA PHE A 51 0.533 -3.774 9.591 1.00 0.00 C ATOM 758 C PHE A 51 1.290 -4.919 10.310 1.00 0.00 C ATOM 759 O PHE A 51 0.855 -6.076 10.264 1.00 0.00 O ATOM 760 CB PHE A 51 0.524 -3.987 8.050 1.00 0.00 C ATOM 761 CG PHE A 51 -0.432 -3.055 7.285 1.00 0.00 C ATOM 762 CD1 PHE A 51 -0.058 -1.757 6.951 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.697 -3.489 6.890 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.913 -0.922 6.255 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.551 -2.659 6.193 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.160 -1.378 5.871 1.00 0.00 C ATOM 0 H PHE A 51 1.822 -2.148 9.235 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.496 -3.791 9.951 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.535 -3.842 7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.250 -5.021 7.840 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.918 -1.395 7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.014 -4.492 7.134 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.607 0.085 6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.528 -3.014 5.899 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.826 -0.731 5.320 1.00 0.00 H new ATOM 776 N GLY A 52 2.418 -4.571 10.977 1.00 0.00 N ATOM 777 CA GLY A 52 3.207 -5.530 11.768 1.00 0.00 C ATOM 778 C GLY A 52 3.907 -6.578 10.916 1.00 0.00 C ATOM 779 O GLY A 52 4.141 -7.711 11.366 1.00 0.00 O ATOM 0 H GLY A 52 2.798 -3.625 10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.952 -4.986 12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.551 -6.030 12.481 1.00 0.00 H new ATOM 783 N ILE A 53 4.245 -6.182 9.687 1.00 0.00 N ATOM 784 CA ILE A 53 4.843 -7.060 8.669 1.00 0.00 C ATOM 785 C ILE A 53 6.278 -6.625 8.373 1.00 0.00 C ATOM 786 O ILE A 53 6.742 -5.616 8.909 1.00 0.00 O ATOM 787 CB ILE A 53 3.998 -7.026 7.340 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.917 -5.581 6.735 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.582 -7.576 7.584 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.291 -5.529 5.360 1.00 0.00 C ATOM 0 H ILE A 53 4.110 -5.225 9.362 1.00 0.00 H new ATOM 0 HA ILE A 53 4.847 -8.078 9.058 1.00 0.00 H new ATOM 0 HB ILE A 53 4.509 -7.662 6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.342 -4.946 7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.922 -5.162 6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.014 -7.544 6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.647 -8.606 7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.080 -6.968 8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.270 -4.497 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.877 -6.136 4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.273 -5.916 5.409 1.00 0.00 H new ATOM 802 N LYS A 54 6.983 -7.408 7.542 1.00 0.00 N ATOM 803 CA LYS A 54 8.286 -7.008 6.995 1.00 0.00 C ATOM 804 C LYS A 54 8.142 -6.812 5.475 1.00 0.00 C ATOM 805 O LYS A 54 7.888 -7.766 4.730 1.00 0.00 O ATOM 806 CB LYS A 54 9.450 -7.997 7.379 1.00 0.00 C ATOM 807 CG LYS A 54 9.456 -9.407 6.732 1.00 0.00 C ATOM 808 CD LYS A 54 8.308 -10.326 7.201 1.00 0.00 C ATOM 809 CE LYS A 54 8.377 -11.715 6.544 1.00 0.00 C ATOM 810 NZ LYS A 54 7.270 -12.582 6.998 1.00 0.00 N ATOM 0 H LYS A 54 6.669 -8.328 7.233 1.00 0.00 H new ATOM 0 HA LYS A 54 8.582 -6.062 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.394 -7.513 7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.433 -8.127 8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.399 -9.297 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.407 -9.891 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.351 -10.435 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.351 -9.860 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.337 -11.609 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.331 -12.185 6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.345 -13.511 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.324 -12.702 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.361 -12.144 6.748 1.00 0.00 H new ATOM 824 N LEU A 55 8.192 -5.540 5.038 1.00 0.00 N ATOM 825 CA LEU A 55 8.203 -5.181 3.615 1.00 0.00 C ATOM 826 C LEU A 55 9.618 -5.366 3.063 1.00 0.00 C ATOM 827 O LEU A 55 10.533 -4.660 3.504 1.00 0.00 O ATOM 828 CB LEU A 55 7.736 -3.711 3.390 1.00 0.00 C ATOM 829 CG LEU A 55 6.224 -3.430 3.632 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.890 -1.952 3.370 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.337 -4.354 2.771 1.00 0.00 C ATOM 0 H LEU A 55 8.226 -4.736 5.664 1.00 0.00 H new ATOM 0 HA LEU A 55 7.505 -5.834 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.315 -3.062 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.979 -3.426 2.366 1.00 0.00 H new ATOM 0 HG LEU A 55 6.012 -3.646 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.828 -1.782 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.474 -1.322 4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.131 -1.702 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.287 -4.133 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.556 -4.189 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.541 -5.394 3.025 1.00 0.00 H new ATOM 843 N PRO A 56 9.838 -6.309 2.100 1.00 0.00 N ATOM 844 CA PRO A 56 11.109 -6.394 1.360 1.00 0.00 C ATOM 845 C PRO A 56 11.195 -5.295 0.278 1.00 0.00 C ATOM 846 O PRO A 56 11.452 -5.586 -0.883 1.00 0.00 O ATOM 847 CB PRO A 56 11.065 -7.819 0.759 1.00 0.00 C ATOM 848 CG PRO A 56 9.610 -8.099 0.558 1.00 0.00 C ATOM 849 CD PRO A 56 8.888 -7.385 1.686 1.00 0.00 C ATOM 0 HA PRO A 56 11.991 -6.234 1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.612 -7.869 -0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.520 -8.547 1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.273 -7.736 -0.413 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.411 -9.170 0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.937 -6.971 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.668 -8.062 2.511 1.00 0.00 H new ATOM 857 N LEU A 57 11.017 -4.027 0.704 1.00 0.00 N ATOM 858 CA LEU A 57 10.984 -2.844 -0.184 1.00 0.00 C ATOM 859 C LEU A 57 12.339 -2.701 -0.890 1.00 0.00 C ATOM 860 O LEU A 57 12.402 -2.386 -2.077 1.00 0.00 O ATOM 861 CB LEU A 57 10.626 -1.567 0.662 1.00 0.00 C ATOM 862 CG LEU A 57 10.209 -0.251 -0.099 1.00 0.00 C ATOM 863 CD1 LEU A 57 11.392 0.501 -0.748 1.00 0.00 C ATOM 864 CD2 LEU A 57 9.099 -0.542 -1.121 1.00 0.00 C ATOM 0 H LEU A 57 10.890 -3.792 1.688 1.00 0.00 H new ATOM 0 HA LEU A 57 10.218 -2.963 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.810 -1.833 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.488 -1.330 1.285 1.00 0.00 H new ATOM 0 HG LEU A 57 9.820 0.427 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.023 1.394 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.107 0.788 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.882 -0.148 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.827 0.380 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.456 -1.271 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.226 -0.942 -0.606 1.00 0.00 H new ATOM 876 N GLU A 58 13.405 -2.957 -0.118 1.00 0.00 N ATOM 877 CA GLU A 58 14.796 -2.974 -0.606 1.00 0.00 C ATOM 878 C GLU A 58 14.985 -4.023 -1.726 1.00 0.00 C ATOM 879 O GLU A 58 15.662 -3.761 -2.725 1.00 0.00 O ATOM 880 CB GLU A 58 15.747 -3.246 0.595 1.00 0.00 C ATOM 881 CG GLU A 58 15.378 -4.500 1.426 1.00 0.00 C ATOM 882 CD GLU A 58 16.154 -4.613 2.744 1.00 0.00 C ATOM 883 OE1 GLU A 58 15.964 -3.743 3.623 1.00 0.00 O ATOM 884 OE2 GLU A 58 16.958 -5.557 2.915 1.00 0.00 O ATOM 0 H GLU A 58 13.326 -3.161 0.878 1.00 0.00 H new ATOM 0 HA GLU A 58 15.038 -2.005 -1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.764 -3.359 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.744 -2.375 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.310 -4.480 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.565 -5.391 0.826 1.00 0.00 H new ATOM 891 N LYS A 59 14.345 -5.190 -1.552 1.00 0.00 N ATOM 892 CA LYS A 59 14.394 -6.306 -2.511 1.00 0.00 C ATOM 893 C LYS A 59 13.585 -5.971 -3.778 1.00 0.00 C ATOM 894 O LYS A 59 14.004 -6.290 -4.887 1.00 0.00 O ATOM 895 CB LYS A 59 13.855 -7.591 -1.820 1.00 0.00 C ATOM 896 CG LYS A 59 13.898 -8.884 -2.660 1.00 0.00 C ATOM 897 CD LYS A 59 15.332 -9.263 -3.114 1.00 0.00 C ATOM 898 CE LYS A 59 15.395 -10.651 -3.766 1.00 0.00 C ATOM 899 NZ LYS A 59 14.393 -10.797 -4.852 1.00 0.00 N ATOM 0 H LYS A 59 13.772 -5.388 -0.732 1.00 0.00 H new ATOM 0 HA LYS A 59 15.425 -6.476 -2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.428 -7.756 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.823 -7.411 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.479 -9.704 -2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.265 -8.761 -3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.695 -8.517 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.000 -9.239 -2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.394 -10.818 -4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.224 -11.416 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.501 -11.729 -5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.436 -10.713 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.540 -10.052 -5.562 1.00 0.00 H new ATOM 913 N TRP A 60 12.440 -5.293 -3.586 1.00 0.00 N ATOM 914 CA TRP A 60 11.533 -4.879 -4.679 1.00 0.00 C ATOM 915 C TRP A 60 12.222 -3.859 -5.593 1.00 0.00 C ATOM 916 O TRP A 60 12.181 -3.973 -6.823 1.00 0.00 O ATOM 917 CB TRP A 60 10.241 -4.255 -4.095 1.00 0.00 C ATOM 918 CG TRP A 60 9.388 -5.194 -3.284 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.470 -6.559 -3.221 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.296 -4.825 -2.437 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.512 -7.044 -2.379 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.776 -6.002 -1.887 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.708 -3.606 -2.098 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.710 -6.001 -1.003 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.650 -3.601 -1.219 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.155 -4.794 -0.686 1.00 0.00 C ATOM 0 H TRP A 60 12.112 -5.013 -2.661 1.00 0.00 H new ATOM 0 HA TRP A 60 11.277 -5.764 -5.262 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.517 -3.407 -3.468 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.642 -3.863 -4.917 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.187 -7.163 -3.758 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.368 -8.028 -2.152 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.077 -2.682 -2.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.332 -6.920 -0.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.196 -2.663 -0.937 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.315 -4.761 -0.008 1.00 0.00 H new ATOM 937 N THR A 61 12.870 -2.876 -4.943 1.00 0.00 N ATOM 938 CA THR A 61 13.645 -1.828 -5.614 1.00 0.00 C ATOM 939 C THR A 61 14.851 -2.459 -6.343 1.00 0.00 C ATOM 940 O THR A 61 15.207 -2.032 -7.444 1.00 0.00 O ATOM 941 CB THR A 61 14.116 -0.733 -4.588 1.00 0.00 C ATOM 942 OG1 THR A 61 12.991 -0.245 -3.830 1.00 0.00 O ATOM 943 CG2 THR A 61 14.800 0.472 -5.270 1.00 0.00 C ATOM 0 H THR A 61 12.868 -2.790 -3.927 1.00 0.00 H new ATOM 0 HA THR A 61 13.009 -1.335 -6.349 1.00 0.00 H new ATOM 0 HB THR A 61 14.845 -1.217 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.669 -0.951 -3.231 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.103 1.195 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.678 0.130 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.102 0.943 -5.962 1.00 0.00 H new ATOM 951 N GLN A 62 15.414 -3.540 -5.758 1.00 0.00 N ATOM 952 CA GLN A 62 16.560 -4.262 -6.338 1.00 0.00 C ATOM 953 C GLN A 62 16.141 -4.958 -7.648 1.00 0.00 C ATOM 954 O GLN A 62 16.910 -4.978 -8.606 1.00 0.00 O ATOM 955 CB GLN A 62 17.128 -5.297 -5.327 1.00 0.00 C ATOM 956 CG GLN A 62 18.401 -6.025 -5.805 1.00 0.00 C ATOM 957 CD GLN A 62 18.954 -7.031 -4.800 1.00 0.00 C ATOM 958 OE1 GLN A 62 18.796 -6.872 -3.588 1.00 0.00 O ATOM 959 NE2 GLN A 62 19.646 -8.050 -5.290 1.00 0.00 N ATOM 0 H GLN A 62 15.086 -3.932 -4.875 1.00 0.00 H new ATOM 0 HA GLN A 62 17.346 -3.541 -6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.347 -4.787 -4.389 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.358 -6.039 -5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.182 -6.543 -6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.170 -5.285 -6.023 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.758 -8.152 -6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.067 -8.732 -4.658 1.00 0.00 H new ATOM 968 N GLU A 63 14.908 -5.518 -7.670 1.00 0.00 N ATOM 969 CA GLU A 63 14.321 -6.141 -8.884 1.00 0.00 C ATOM 970 C GLU A 63 14.205 -5.116 -10.023 1.00 0.00 C ATOM 971 O GLU A 63 14.490 -5.430 -11.179 1.00 0.00 O ATOM 972 CB GLU A 63 12.916 -6.733 -8.596 1.00 0.00 C ATOM 973 CG GLU A 63 12.860 -7.757 -7.450 1.00 0.00 C ATOM 974 CD GLU A 63 13.829 -8.929 -7.638 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.504 -9.864 -8.399 1.00 0.00 O ATOM 976 OE2 GLU A 63 14.925 -8.927 -7.029 1.00 0.00 O ATOM 0 H GLU A 63 14.296 -5.552 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 63 14.991 -6.947 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.235 -5.914 -8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.546 -7.208 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.087 -7.253 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.844 -8.144 -7.367 1.00 0.00 H new ATOM 983 N VAL A 64 13.786 -3.891 -9.666 1.00 0.00 N ATOM 984 CA VAL A 64 13.622 -2.785 -10.626 1.00 0.00 C ATOM 985 C VAL A 64 14.980 -2.391 -11.247 1.00 0.00 C ATOM 986 O VAL A 64 15.136 -2.386 -12.475 1.00 0.00 O ATOM 987 CB VAL A 64 12.958 -1.529 -9.956 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.776 -0.389 -10.991 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.611 -1.904 -9.279 1.00 0.00 C ATOM 0 H VAL A 64 13.552 -3.639 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 64 12.959 -3.140 -11.415 1.00 0.00 H new ATOM 0 HB VAL A 64 13.625 -1.166 -9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.315 0.472 -10.507 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.748 -0.102 -11.391 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.137 -0.734 -11.804 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.173 -1.016 -8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.926 -2.303 -10.027 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.787 -2.657 -8.511 1.00 0.00 H new ATOM 999 N ASN A 65 15.958 -2.091 -10.372 1.00 0.00 N ATOM 1000 CA ASN A 65 17.311 -1.649 -10.778 1.00 0.00 C ATOM 1001 C ASN A 65 18.091 -2.744 -11.527 1.00 0.00 C ATOM 1002 O ASN A 65 18.915 -2.427 -12.388 1.00 0.00 O ATOM 1003 CB ASN A 65 18.127 -1.138 -9.550 1.00 0.00 C ATOM 1004 CG ASN A 65 17.664 0.240 -9.061 1.00 0.00 C ATOM 1005 OD1 ASN A 65 18.108 1.270 -9.572 1.00 0.00 O ATOM 1006 ND2 ASN A 65 16.813 0.276 -8.046 1.00 0.00 N ATOM 0 H ASN A 65 15.835 -2.147 -9.361 1.00 0.00 H new ATOM 0 HA ASN A 65 17.171 -0.822 -11.474 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.037 -1.857 -8.735 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.183 -1.088 -9.816 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.509 1.173 -7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.462 -0.593 -7.643 1.00 0.00 H new ATOM 1013 N ASP A 66 17.839 -4.027 -11.207 1.00 0.00 N ATOM 1014 CA ASP A 66 18.517 -5.171 -11.865 1.00 0.00 C ATOM 1015 C ASP A 66 17.726 -5.648 -13.109 1.00 0.00 C ATOM 1016 O ASP A 66 18.122 -6.613 -13.769 1.00 0.00 O ATOM 1017 CB ASP A 66 18.699 -6.314 -10.823 1.00 0.00 C ATOM 1018 CG ASP A 66 19.677 -7.425 -11.258 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.905 -7.257 -11.086 1.00 0.00 O ATOM 1020 OD2 ASP A 66 19.234 -8.475 -11.760 1.00 0.00 O ATOM 0 H ASP A 66 17.166 -4.304 -10.492 1.00 0.00 H new ATOM 0 HA ASP A 66 19.498 -4.859 -12.222 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.052 -5.882 -9.887 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.726 -6.762 -10.620 1.00 0.00 H new ATOM 1025 N GLY A 67 16.625 -4.936 -13.446 1.00 0.00 N ATOM 1026 CA GLY A 67 15.804 -5.260 -14.625 1.00 0.00 C ATOM 1027 C GLY A 67 14.995 -6.553 -14.527 1.00 0.00 C ATOM 1028 O GLY A 67 14.466 -7.027 -15.539 1.00 0.00 O ATOM 0 H GLY A 67 16.289 -4.133 -12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.116 -4.434 -14.805 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.458 -5.326 -15.495 1.00 0.00 H new ATOM 1032 N LYS A 68 14.890 -7.115 -13.311 1.00 0.00 N ATOM 1033 CA LYS A 68 14.114 -8.349 -13.054 1.00 0.00 C ATOM 1034 C LYS A 68 12.602 -8.070 -13.051 1.00 0.00 C ATOM 1035 O LYS A 68 11.807 -8.959 -13.378 1.00 0.00 O ATOM 1036 CB LYS A 68 14.534 -9.001 -11.711 1.00 0.00 C ATOM 1037 CG LYS A 68 15.981 -9.541 -11.686 1.00 0.00 C ATOM 1038 CD LYS A 68 16.262 -10.432 -10.454 1.00 0.00 C ATOM 1039 CE LYS A 68 17.669 -11.051 -10.470 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.864 -11.994 -9.346 1.00 0.00 N ATOM 0 H LYS A 68 15.337 -6.731 -12.478 1.00 0.00 H new ATOM 0 HA LYS A 68 14.334 -9.044 -13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.420 -8.267 -10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.850 -9.820 -11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.167 -10.114 -12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.678 -8.703 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.142 -9.838 -9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.520 -11.230 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.827 -11.572 -11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.416 -10.259 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.824 -12.392 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.738 -11.491 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.167 -12.763 -9.413 1.00 0.00 H new ATOM 1054 N ALA A 69 12.222 -6.836 -12.689 1.00 0.00 N ATOM 1055 CA ALA A 69 10.816 -6.404 -12.638 1.00 0.00 C ATOM 1056 C ALA A 69 10.731 -4.885 -12.837 1.00 0.00 C ATOM 1057 O ALA A 69 11.754 -4.192 -12.859 1.00 0.00 O ATOM 1058 CB ALA A 69 10.164 -6.835 -11.304 1.00 0.00 C ATOM 0 H ALA A 69 12.883 -6.106 -12.422 1.00 0.00 H new ATOM 0 HA ALA A 69 10.264 -6.886 -13.445 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.125 -6.507 -11.284 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.204 -7.921 -11.214 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.703 -6.382 -10.472 1.00 0.00 H new ATOM 1064 N THR A 70 9.502 -4.387 -12.993 1.00 0.00 N ATOM 1065 CA THR A 70 9.210 -2.949 -13.144 1.00 0.00 C ATOM 1066 C THR A 70 8.703 -2.388 -11.799 1.00 0.00 C ATOM 1067 O THR A 70 8.202 -3.155 -10.957 1.00 0.00 O ATOM 1068 CB THR A 70 8.139 -2.741 -14.277 1.00 0.00 C ATOM 1069 OG1 THR A 70 8.574 -3.420 -15.470 1.00 0.00 O ATOM 1070 CG2 THR A 70 7.887 -1.254 -14.606 1.00 0.00 C ATOM 0 H THR A 70 8.668 -4.973 -13.019 1.00 0.00 H new ATOM 0 HA THR A 70 10.116 -2.414 -13.427 1.00 0.00 H new ATOM 0 HB THR A 70 7.199 -3.153 -13.909 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.909 -3.295 -16.179 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.139 -1.178 -15.395 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.528 -0.740 -13.714 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.816 -0.793 -14.942 1.00 0.00 H new ATOM 1078 N THR A 71 8.843 -1.056 -11.611 1.00 0.00 N ATOM 1079 CA THR A 71 8.348 -0.343 -10.418 1.00 0.00 C ATOM 1080 C THR A 71 6.859 -0.637 -10.161 1.00 0.00 C ATOM 1081 O THR A 71 6.503 -0.987 -9.052 1.00 0.00 O ATOM 1082 CB THR A 71 8.537 1.212 -10.528 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.110 1.648 -11.824 1.00 0.00 O ATOM 1084 CG2 THR A 71 9.975 1.676 -10.263 1.00 0.00 C ATOM 0 H THR A 71 9.304 -0.446 -12.286 1.00 0.00 H new ATOM 0 HA THR A 71 8.946 -0.713 -9.585 1.00 0.00 H new ATOM 0 HB THR A 71 7.925 1.664 -9.747 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.225 2.619 -11.897 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.030 2.761 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.272 1.383 -9.256 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.646 1.215 -10.988 1.00 0.00 H new ATOM 1092 N GLU A 72 6.030 -0.546 -11.226 1.00 0.00 N ATOM 1093 CA GLU A 72 4.550 -0.662 -11.146 1.00 0.00 C ATOM 1094 C GLU A 72 4.058 -1.867 -10.302 1.00 0.00 C ATOM 1095 O GLU A 72 3.150 -1.724 -9.471 1.00 0.00 O ATOM 1096 CB GLU A 72 3.940 -0.710 -12.581 1.00 0.00 C ATOM 1097 CG GLU A 72 4.304 -1.962 -13.402 1.00 0.00 C ATOM 1098 CD GLU A 72 3.662 -1.991 -14.801 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.498 -2.433 -14.929 1.00 0.00 O ATOM 1100 OE2 GLU A 72 4.319 -1.563 -15.778 1.00 0.00 O ATOM 0 H GLU A 72 6.369 -0.389 -12.175 1.00 0.00 H new ATOM 0 HA GLU A 72 4.200 0.227 -10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.855 -0.650 -12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.268 0.173 -13.129 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.388 -2.014 -13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.994 -2.850 -12.851 1.00 0.00 H new ATOM 1107 N GLN A 73 4.727 -3.016 -10.482 1.00 0.00 N ATOM 1108 CA GLN A 73 4.356 -4.300 -9.853 1.00 0.00 C ATOM 1109 C GLN A 73 4.413 -4.215 -8.310 1.00 0.00 C ATOM 1110 O GLN A 73 3.709 -4.943 -7.608 1.00 0.00 O ATOM 1111 CB GLN A 73 5.282 -5.429 -10.421 1.00 0.00 C ATOM 1112 CG GLN A 73 4.789 -6.886 -10.194 1.00 0.00 C ATOM 1113 CD GLN A 73 5.389 -7.597 -8.978 1.00 0.00 C ATOM 1114 OE1 GLN A 73 4.874 -7.511 -7.870 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.497 -8.296 -9.179 1.00 0.00 N ATOM 0 H GLN A 73 5.553 -3.084 -11.076 1.00 0.00 H new ATOM 0 HA GLN A 73 3.322 -4.540 -10.099 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.403 -5.269 -11.492 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.269 -5.325 -9.970 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.704 -6.873 -10.088 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.015 -7.472 -11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.904 -8.350 -10.113 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.943 -8.780 -8.400 1.00 0.00 H new ATOM 1124 N TYR A 74 5.251 -3.304 -7.798 1.00 0.00 N ATOM 1125 CA TYR A 74 5.404 -3.074 -6.348 1.00 0.00 C ATOM 1126 C TYR A 74 4.912 -1.682 -5.920 1.00 0.00 C ATOM 1127 O TYR A 74 4.521 -1.501 -4.773 1.00 0.00 O ATOM 1128 CB TYR A 74 6.893 -3.214 -5.958 1.00 0.00 C ATOM 1129 CG TYR A 74 7.580 -4.464 -6.522 1.00 0.00 C ATOM 1130 CD1 TYR A 74 7.279 -5.733 -6.026 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.534 -4.374 -7.546 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.896 -6.858 -6.527 1.00 0.00 C ATOM 1133 CE2 TYR A 74 9.149 -5.499 -8.049 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.831 -6.736 -7.535 1.00 0.00 C ATOM 1135 OH TYR A 74 9.443 -7.861 -8.037 1.00 0.00 O ATOM 0 H TYR A 74 5.843 -2.704 -8.373 1.00 0.00 H new ATOM 0 HA TYR A 74 4.794 -3.819 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.431 -2.331 -6.303 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.971 -3.230 -4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.550 -5.835 -5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.791 -3.405 -7.947 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.649 -7.832 -6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.877 -5.411 -8.842 1.00 0.00 H new ATOM 0 HH TYR A 74 9.251 -7.938 -8.995 1.00 0.00 H new ATOM 1145 N PHE A 75 4.936 -0.704 -6.840 1.00 0.00 N ATOM 1146 CA PHE A 75 4.814 0.732 -6.503 1.00 0.00 C ATOM 1147 C PHE A 75 3.574 1.360 -7.181 1.00 0.00 C ATOM 1148 O PHE A 75 3.543 2.560 -7.410 1.00 0.00 O ATOM 1149 CB PHE A 75 6.118 1.483 -6.928 1.00 0.00 C ATOM 1150 CG PHE A 75 7.399 1.055 -6.189 1.00 0.00 C ATOM 1151 CD1 PHE A 75 7.695 1.557 -4.924 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.316 0.169 -6.765 1.00 0.00 C ATOM 1153 CE1 PHE A 75 8.858 1.190 -4.269 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.475 -0.200 -6.105 1.00 0.00 C ATOM 1155 CZ PHE A 75 9.745 0.309 -4.856 1.00 0.00 C ATOM 0 H PHE A 75 5.040 -0.882 -7.839 1.00 0.00 H new ATOM 0 HA PHE A 75 4.682 0.828 -5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.270 1.335 -7.997 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.969 2.551 -6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.008 2.241 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.115 -0.236 -7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.073 1.596 -3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.167 -0.887 -6.570 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.647 0.021 -4.336 1.00 0.00 H new ATOM 1165 N VAL A 76 2.569 0.537 -7.521 1.00 0.00 N ATOM 1166 CA VAL A 76 1.197 1.019 -7.822 1.00 0.00 C ATOM 1167 C VAL A 76 0.303 0.626 -6.651 1.00 0.00 C ATOM 1168 O VAL A 76 0.301 -0.518 -6.277 1.00 0.00 O ATOM 1169 CB VAL A 76 0.608 0.421 -9.155 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.903 0.729 -9.301 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.377 0.944 -10.381 1.00 0.00 C ATOM 0 H VAL A 76 2.675 -0.475 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 76 1.238 2.099 -7.962 1.00 0.00 H new ATOM 0 HB VAL A 76 0.728 -0.661 -9.102 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.273 0.301 -10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.446 0.295 -8.461 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.055 1.808 -9.313 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.950 0.516 -11.288 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.301 2.031 -10.422 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.425 0.657 -10.303 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.497 1.569 -6.152 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.250 1.463 -4.883 1.00 0.00 C ATOM 1183 C LEU A 77 -2.070 0.161 -4.725 1.00 0.00 C ATOM 1184 O LEU A 77 -2.227 -0.307 -3.606 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.149 2.729 -4.691 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.535 3.875 -3.833 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.396 3.442 -2.357 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.193 4.375 -4.416 1.00 0.00 C ATOM 0 H LEU A 77 -0.650 2.458 -6.628 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.504 1.414 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.394 3.129 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.087 2.419 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.223 4.720 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.965 4.258 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.379 3.192 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.746 2.569 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.201 5.174 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.520 3.551 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.353 4.753 -5.426 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.599 -0.393 -5.834 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.367 -1.668 -5.809 1.00 0.00 C ATOM 1202 C LYS A 78 -2.431 -2.901 -5.780 1.00 0.00 C ATOM 1203 O LYS A 78 -2.715 -3.880 -5.085 1.00 0.00 O ATOM 1204 CB LYS A 78 -4.420 -1.719 -6.975 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.902 -1.377 -8.404 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.317 -2.579 -9.171 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.806 -2.205 -10.567 1.00 0.00 C ATOM 1208 NZ LYS A 78 -2.357 -3.396 -11.324 1.00 0.00 N ATOM 0 H LYS A 78 -2.512 0.018 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.934 -1.703 -4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.851 -2.720 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.229 -1.030 -6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.723 -0.955 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.137 -0.604 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.499 -3.009 -8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.081 -3.351 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.597 -1.699 -11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.980 -1.500 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.723 -3.100 -12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.849 -4.042 -10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.183 -3.884 -11.725 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.308 -2.831 -6.521 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.273 -3.899 -6.529 1.00 0.00 C ATOM 1224 C ASN A 79 0.461 -3.918 -5.185 1.00 0.00 C ATOM 1225 O ASN A 79 0.630 -4.965 -4.585 1.00 0.00 O ATOM 1226 CB ASN A 79 0.748 -3.689 -7.681 1.00 0.00 C ATOM 1227 CG ASN A 79 0.188 -3.991 -9.068 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.698 -4.834 -9.228 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.702 -3.316 -10.082 1.00 0.00 N ATOM 0 H ASN A 79 -1.088 -2.042 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.773 -4.854 -6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.099 -2.657 -7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.616 -4.325 -7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.367 -3.486 -11.030 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.434 -2.625 -9.916 1.00 0.00 H new ATOM 1236 N LEU A 80 0.911 -2.728 -4.768 1.00 0.00 N ATOM 1237 CA LEU A 80 1.468 -2.430 -3.442 1.00 0.00 C ATOM 1238 C LEU A 80 0.546 -2.951 -2.328 1.00 0.00 C ATOM 1239 O LEU A 80 1.001 -3.681 -1.446 1.00 0.00 O ATOM 1240 CB LEU A 80 1.658 -0.891 -3.312 1.00 0.00 C ATOM 1241 CG LEU A 80 2.239 -0.352 -1.967 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.674 -0.873 -1.698 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.169 1.192 -1.929 1.00 0.00 C ATOM 0 H LEU A 80 0.896 -1.908 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 80 2.430 -2.932 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.314 -0.563 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.690 -0.417 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 80 1.619 -0.739 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.036 -0.471 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.663 -1.962 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.334 -0.553 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.578 1.552 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.749 1.603 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.131 1.511 -2.020 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.763 -2.604 -2.416 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.783 -3.076 -1.450 1.00 0.00 C ATOM 1257 C ALA A 81 -1.844 -4.601 -1.427 1.00 0.00 C ATOM 1258 O ALA A 81 -2.017 -5.186 -0.373 1.00 0.00 O ATOM 1259 CB ALA A 81 -3.175 -2.506 -1.769 1.00 0.00 C ATOM 0 H ALA A 81 -1.135 -1.998 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.483 -2.715 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.895 -2.875 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.141 -1.417 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.477 -2.821 -2.768 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.672 -5.218 -2.604 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.668 -6.676 -2.751 1.00 0.00 C ATOM 1267 C ALA A 82 -0.426 -7.298 -2.074 1.00 0.00 C ATOM 1268 O ALA A 82 -0.554 -8.308 -1.385 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.746 -7.064 -4.238 1.00 0.00 C ATOM 0 H ALA A 82 -1.532 -4.717 -3.481 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.549 -7.076 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.742 -8.150 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.664 -6.666 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.887 -6.651 -4.767 1.00 0.00 H new ATOM 1275 N ARG A 83 0.760 -6.667 -2.265 1.00 0.00 N ATOM 1276 CA ARG A 83 2.038 -7.113 -1.646 1.00 0.00 C ATOM 1277 C ARG A 83 1.898 -7.181 -0.108 1.00 0.00 C ATOM 1278 O ARG A 83 2.123 -8.221 0.518 1.00 0.00 O ATOM 1279 CB ARG A 83 3.226 -6.158 -2.003 1.00 0.00 C ATOM 1280 CG ARG A 83 3.462 -5.796 -3.500 1.00 0.00 C ATOM 1281 CD ARG A 83 3.800 -6.986 -4.424 1.00 0.00 C ATOM 1282 NE ARG A 83 2.643 -7.869 -4.664 1.00 0.00 N ATOM 1283 CZ ARG A 83 1.969 -8.001 -5.821 1.00 0.00 C ATOM 1284 NH1 ARG A 83 2.297 -7.307 -6.912 1.00 0.00 N ATOM 1285 NH2 ARG A 83 0.958 -8.852 -5.876 1.00 0.00 N ATOM 0 H ARG A 83 0.859 -5.837 -2.850 1.00 0.00 H new ATOM 0 HA ARG A 83 2.256 -8.103 -2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.079 -5.227 -1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.142 -6.611 -1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.568 -5.304 -3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.274 -5.071 -3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.166 -6.607 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.609 -7.567 -3.980 1.00 0.00 H new ATOM 0 HE ARG A 83 2.323 -8.434 -3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.079 -6.653 -6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.766 -7.430 -7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.702 -9.394 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.434 -8.967 -6.744 1.00 0.00 H new ATOM 1299 N ILE A 84 1.449 -6.052 0.444 1.00 0.00 N ATOM 1300 CA ILE A 84 1.292 -5.812 1.891 1.00 0.00 C ATOM 1301 C ILE A 84 0.218 -6.747 2.477 1.00 0.00 C ATOM 1302 O ILE A 84 0.441 -7.372 3.504 1.00 0.00 O ATOM 1303 CB ILE A 84 0.897 -4.308 2.116 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.994 -3.361 1.523 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.623 -3.992 3.611 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.559 -1.920 1.353 1.00 0.00 C ATOM 0 H ILE A 84 1.173 -5.247 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 84 2.232 -6.021 2.401 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.038 -4.129 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.869 -3.388 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.305 -3.750 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.354 -2.941 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.196 -4.615 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.519 -4.198 4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.382 -1.338 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.705 -1.875 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.277 -1.508 2.322 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.923 -6.853 1.769 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.107 -7.642 2.202 1.00 0.00 C ATOM 1320 C ASP A 85 -1.763 -9.136 2.378 1.00 0.00 C ATOM 1321 O ASP A 85 -2.199 -9.774 3.344 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.253 -7.469 1.169 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.594 -8.063 1.622 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.313 -7.402 2.401 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.938 -9.186 1.204 1.00 0.00 O ATOM 0 H ASP A 85 -1.056 -6.391 0.870 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.431 -7.266 3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.388 -6.407 0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.957 -7.939 0.231 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.965 -9.659 1.430 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.474 -11.049 1.468 1.00 0.00 C ATOM 1332 C GLU A 86 0.511 -11.248 2.628 1.00 0.00 C ATOM 1333 O GLU A 86 0.549 -12.320 3.226 1.00 0.00 O ATOM 1334 CB GLU A 86 0.196 -11.447 0.128 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.741 -11.439 -1.091 1.00 0.00 C ATOM 1336 CD GLU A 86 -1.958 -12.364 -0.944 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -1.847 -13.564 -1.259 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -3.027 -11.899 -0.517 1.00 0.00 O ATOM 0 H GLU A 86 -0.643 -9.132 0.618 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.337 -11.697 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.024 -10.765 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.622 -12.445 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.089 -10.421 -1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.175 -11.736 -1.974 1.00 0.00 H new ATOM 1345 N LEU A 87 1.314 -10.209 2.925 1.00 0.00 N ATOM 1346 CA LEU A 87 2.246 -10.234 4.069 1.00 0.00 C ATOM 1347 C LEU A 87 1.485 -10.156 5.413 1.00 0.00 C ATOM 1348 O LEU A 87 1.951 -10.712 6.410 1.00 0.00 O ATOM 1349 CB LEU A 87 3.306 -9.104 3.950 1.00 0.00 C ATOM 1350 CG LEU A 87 4.262 -9.206 2.718 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.227 -8.010 2.648 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.025 -10.549 2.705 1.00 0.00 C ATOM 0 H LEU A 87 1.336 -9.342 2.389 1.00 0.00 H new ATOM 0 HA LEU A 87 2.775 -11.187 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.787 -8.146 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.910 -9.099 4.857 1.00 0.00 H new ATOM 0 HG LEU A 87 3.641 -9.173 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.876 -8.116 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.655 -7.086 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.835 -7.979 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.681 -10.587 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.621 -10.637 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.312 -11.372 2.658 1.00 0.00 H new ATOM 1364 N VAL A 88 0.319 -9.462 5.437 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.560 -9.400 6.635 1.00 0.00 C ATOM 1366 C VAL A 88 -1.210 -10.771 6.873 1.00 0.00 C ATOM 1367 O VAL A 88 -1.300 -11.252 8.014 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.667 -8.279 6.521 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.554 -8.215 7.798 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -1.030 -6.903 6.228 1.00 0.00 C ATOM 0 H VAL A 88 -0.036 -8.936 4.638 1.00 0.00 H new ATOM 0 HA VAL A 88 0.068 -9.135 7.486 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.314 -8.544 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.303 -7.432 7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.051 -9.174 7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.930 -7.994 8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.813 -6.148 6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.346 -6.639 7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.481 -6.949 5.288 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.616 -11.411 5.764 1.00 0.00 N ATOM 1381 CA ALA A 89 -2.142 -12.781 5.773 1.00 0.00 C ATOM 1382 C ALA A 89 -1.052 -13.758 6.249 1.00 0.00 C ATOM 1383 O ALA A 89 -1.333 -14.681 7.013 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.649 -13.170 4.373 1.00 0.00 C ATOM 0 H ALA A 89 -1.588 -10.990 4.835 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.983 -12.833 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.036 -14.189 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.443 -12.487 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.828 -13.110 3.659 1.00 0.00 H new ATOM 1390 N ALA A 90 0.197 -13.508 5.806 1.00 0.00 N ATOM 1391 CA ALA A 90 1.368 -14.337 6.145 1.00 0.00 C ATOM 1392 C ALA A 90 1.728 -14.220 7.636 1.00 0.00 C ATOM 1393 O ALA A 90 2.050 -15.226 8.270 1.00 0.00 O ATOM 1394 CB ALA A 90 2.576 -13.946 5.272 1.00 0.00 C ATOM 0 H ALA A 90 0.421 -12.720 5.199 1.00 0.00 H new ATOM 0 HA ALA A 90 1.107 -15.376 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.432 -14.568 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.329 -14.095 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.823 -12.898 5.441 1.00 0.00 H new ATOM 1400 N LYS A 91 1.650 -12.985 8.194 1.00 0.00 N ATOM 1401 CA LYS A 91 2.058 -12.707 9.593 1.00 0.00 C ATOM 1402 C LYS A 91 0.971 -13.181 10.569 1.00 0.00 C ATOM 1403 O LYS A 91 1.268 -13.529 11.722 1.00 0.00 O ATOM 1404 CB LYS A 91 2.413 -11.188 9.796 1.00 0.00 C ATOM 1405 CG LYS A 91 1.237 -10.165 9.741 1.00 0.00 C ATOM 1406 CD LYS A 91 0.514 -9.921 11.086 1.00 0.00 C ATOM 1407 CE LYS A 91 1.432 -9.307 12.150 1.00 0.00 C ATOM 1408 NZ LYS A 91 0.746 -9.165 13.452 1.00 0.00 N ATOM 0 H LYS A 91 1.307 -12.165 7.694 1.00 0.00 H new ATOM 0 HA LYS A 91 2.966 -13.270 9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.906 -11.083 10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.140 -10.907 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.622 -9.213 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.506 -10.515 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.337 -9.260 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.117 -10.866 11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.316 -9.932 12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.777 -8.330 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.399 -8.747 14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.084 -8.548 13.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.439 -10.101 13.787 1.00 0.00 H new