USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 609 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 Single : A 1 GLY N :NH3+ 139:sc= 0.0178 (180deg=0) USER MOD Single : A 2 SER OG : rot -175:sc= 0.604 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= 0.576 (180deg=-0.155) USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= 0.373 (180deg=-0.101) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 130:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0409) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -87:sc= 1.21 USER MOD Single : A 34 SER OG : rot -36:sc= 0.158 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -110:sc= 0.532 (180deg=-0.0831) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -38:sc= 0.561 USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= 0.345 (180deg=0.253) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.398 -5.469 16.807 1.00 73.04 N ATOM 2 CA GLY A 1 3.320 -5.200 15.352 1.00 71.34 C ATOM 3 C GLY A 1 2.970 -6.441 14.554 1.00 2.13 C ATOM 4 O GLY A 1 3.395 -7.540 14.915 1.00 54.25 O ATOM 0 H1 GLY A 1 4.210 -4.960 17.211 1.00 73.04 H new ATOM 0 H2 GLY A 1 2.523 -5.146 17.267 1.00 73.04 H new ATOM 0 H3 GLY A 1 3.515 -6.490 16.965 1.00 73.04 H new ATOM 0 HA2 GLY A 1 2.572 -4.429 15.167 1.00 71.34 H new ATOM 0 HA3 GLY A 1 4.276 -4.806 15.006 1.00 71.34 H new ATOM 8 N SER A 2 2.219 -6.264 13.456 1.00 0.21 N ATOM 9 CA SER A 2 1.718 -7.372 12.620 1.00 41.14 C ATOM 10 C SER A 2 2.789 -7.840 11.615 1.00 55.25 C ATOM 11 O SER A 2 3.638 -7.045 11.194 1.00 42.30 O ATOM 12 CB SER A 2 0.452 -6.894 11.874 1.00 62.44 C ATOM 13 OG SER A 2 -0.513 -6.410 12.786 1.00 74.11 O ATOM 0 H SER A 2 1.939 -5.343 13.119 1.00 0.21 H new ATOM 0 HA SER A 2 1.476 -8.222 13.258 1.00 41.14 H new ATOM 0 HB2 SER A 2 0.716 -6.109 11.166 1.00 62.44 H new ATOM 0 HB3 SER A 2 0.032 -7.717 11.296 1.00 62.44 H new ATOM 0 HG SER A 2 -1.334 -6.181 12.303 1.00 74.11 H new ATOM 19 N VAL A 3 2.729 -9.139 11.235 1.00 71.55 N ATOM 20 CA VAL A 3 3.577 -9.735 10.157 1.00 3.54 C ATOM 21 C VAL A 3 3.282 -9.080 8.772 1.00 5.14 C ATOM 22 O VAL A 3 4.065 -9.188 7.825 1.00 31.41 O ATOM 23 CB VAL A 3 3.348 -11.297 10.074 1.00 33.41 C ATOM 24 CG1 VAL A 3 1.913 -11.649 9.585 1.00 60.42 C ATOM 25 CG2 VAL A 3 4.433 -12.002 9.216 1.00 42.11 C ATOM 0 H VAL A 3 2.092 -9.810 11.664 1.00 71.55 H new ATOM 0 HA VAL A 3 4.619 -9.539 10.411 1.00 3.54 H new ATOM 0 HB VAL A 3 3.446 -11.681 11.089 1.00 33.41 H new ATOM 0 HG11 VAL A 3 1.799 -12.732 9.542 1.00 60.42 H new ATOM 0 HG12 VAL A 3 1.181 -11.234 10.277 1.00 60.42 H new ATOM 0 HG13 VAL A 3 1.753 -11.228 8.592 1.00 60.42 H new ATOM 0 HG21 VAL A 3 4.235 -13.073 9.187 1.00 42.11 H new ATOM 0 HG22 VAL A 3 4.412 -11.602 8.202 1.00 42.11 H new ATOM 0 HG23 VAL A 3 5.415 -11.826 9.655 1.00 42.11 H new ATOM 35 N VAL A 4 2.142 -8.376 8.710 1.00 63.40 N ATOM 36 CA VAL A 4 1.673 -7.650 7.524 1.00 30.43 C ATOM 37 C VAL A 4 2.624 -6.482 7.215 1.00 23.14 C ATOM 38 O VAL A 4 2.860 -6.150 6.047 1.00 20.34 O ATOM 39 CB VAL A 4 0.226 -7.090 7.763 1.00 61.32 C ATOM 40 CG1 VAL A 4 -0.370 -6.509 6.463 1.00 3.14 C ATOM 41 CG2 VAL A 4 -0.689 -8.171 8.380 1.00 10.15 C ATOM 0 H VAL A 4 1.506 -8.295 9.504 1.00 63.40 H new ATOM 0 HA VAL A 4 1.655 -8.340 6.681 1.00 30.43 H new ATOM 0 HB VAL A 4 0.294 -6.271 8.479 1.00 61.32 H new ATOM 0 HG11 VAL A 4 -1.372 -6.129 6.660 1.00 3.14 H new ATOM 0 HG12 VAL A 4 0.262 -5.697 6.104 1.00 3.14 H new ATOM 0 HG13 VAL A 4 -0.421 -7.291 5.705 1.00 3.14 H new ATOM 0 HG21 VAL A 4 -1.686 -7.758 8.536 1.00 10.15 H new ATOM 0 HG22 VAL A 4 -0.751 -9.024 7.704 1.00 10.15 H new ATOM 0 HG23 VAL A 4 -0.277 -8.494 9.336 1.00 10.15 H new ATOM 51 N LYS A 5 3.168 -5.897 8.306 1.00 53.25 N ATOM 52 CA LYS A 5 4.062 -4.733 8.224 1.00 52.00 C ATOM 53 C LYS A 5 5.281 -5.023 7.346 1.00 31.21 C ATOM 54 O LYS A 5 5.679 -4.164 6.572 1.00 72.21 O ATOM 55 CB LYS A 5 4.523 -4.261 9.627 1.00 3.42 C ATOM 56 CG LYS A 5 5.366 -2.958 9.599 1.00 30.14 C ATOM 57 CD LYS A 5 5.875 -2.532 10.987 1.00 12.23 C ATOM 58 CE LYS A 5 6.821 -3.567 11.623 1.00 40.34 C ATOM 59 NZ LYS A 5 7.297 -3.133 12.961 1.00 11.22 N ATOM 0 H LYS A 5 2.998 -6.220 9.258 1.00 53.25 H new ATOM 0 HA LYS A 5 3.486 -3.930 7.765 1.00 52.00 H new ATOM 0 HB2 LYS A 5 3.646 -4.103 10.254 1.00 3.42 H new ATOM 0 HB3 LYS A 5 5.109 -5.053 10.093 1.00 3.42 H new ATOM 0 HG2 LYS A 5 6.219 -3.099 8.935 1.00 30.14 H new ATOM 0 HG3 LYS A 5 4.764 -2.153 9.178 1.00 30.14 H new ATOM 0 HD2 LYS A 5 6.394 -1.578 10.901 1.00 12.23 H new ATOM 0 HD3 LYS A 5 5.023 -2.372 11.648 1.00 12.23 H new ATOM 0 HE2 LYS A 5 6.305 -4.523 11.714 1.00 40.34 H new ATOM 0 HE3 LYS A 5 7.677 -3.728 10.968 1.00 40.34 H new ATOM 0 HZ1 LYS A 5 7.931 -3.857 13.355 1.00 11.22 H new ATOM 0 HZ2 LYS A 5 7.811 -2.234 12.872 1.00 11.22 H new ATOM 0 HZ3 LYS A 5 6.482 -3.004 13.594 1.00 11.22 H new ATOM 73 N GLU A 6 5.828 -6.269 7.413 1.00 63.10 N ATOM 74 CA GLU A 6 7.020 -6.653 6.632 1.00 71.11 C ATOM 75 C GLU A 6 6.677 -6.584 5.137 1.00 63.01 C ATOM 76 O GLU A 6 7.449 -6.079 4.351 1.00 33.55 O ATOM 77 CB GLU A 6 7.529 -8.084 7.032 1.00 74.32 C ATOM 78 CG GLU A 6 6.929 -9.269 6.218 1.00 31.32 C ATOM 79 CD GLU A 6 7.261 -10.673 6.724 1.00 23.33 C ATOM 80 OE1 GLU A 6 6.445 -11.596 6.511 1.00 12.02 O ATOM 81 OE2 GLU A 6 8.347 -10.878 7.304 1.00 65.15 O ATOM 0 H GLU A 6 5.458 -7.016 8.000 1.00 63.10 H new ATOM 0 HA GLU A 6 7.831 -5.958 6.850 1.00 71.11 H new ATOM 0 HB2 GLU A 6 8.613 -8.106 6.925 1.00 74.32 H new ATOM 0 HB3 GLU A 6 7.310 -8.245 8.088 1.00 74.32 H new ATOM 0 HG2 GLU A 6 5.845 -9.159 6.201 1.00 31.32 H new ATOM 0 HG3 GLU A 6 7.274 -9.186 5.187 1.00 31.32 H new ATOM 88 N LYS A 7 5.455 -7.042 4.812 1.00 15.31 N ATOM 89 CA LYS A 7 4.987 -7.187 3.426 1.00 51.24 C ATOM 90 C LYS A 7 4.691 -5.819 2.801 1.00 12.33 C ATOM 91 O LYS A 7 4.880 -5.635 1.605 1.00 23.31 O ATOM 92 CB LYS A 7 3.739 -8.109 3.392 1.00 42.52 C ATOM 93 CG LYS A 7 3.973 -9.444 4.130 1.00 1.23 C ATOM 94 CD LYS A 7 2.817 -10.449 3.994 1.00 25.44 C ATOM 95 CE LYS A 7 3.083 -11.738 4.797 1.00 51.11 C ATOM 96 NZ LYS A 7 4.399 -12.349 4.457 1.00 45.33 N ATOM 0 H LYS A 7 4.763 -7.322 5.507 1.00 15.31 H new ATOM 0 HA LYS A 7 5.775 -7.648 2.830 1.00 51.24 H new ATOM 0 HB2 LYS A 7 2.895 -7.590 3.845 1.00 42.52 H new ATOM 0 HB3 LYS A 7 3.469 -8.312 2.356 1.00 42.52 H new ATOM 0 HG2 LYS A 7 4.885 -9.902 3.748 1.00 1.23 H new ATOM 0 HG3 LYS A 7 4.138 -9.238 5.188 1.00 1.23 H new ATOM 0 HD2 LYS A 7 1.892 -9.989 4.341 1.00 25.44 H new ATOM 0 HD3 LYS A 7 2.674 -10.698 2.943 1.00 25.44 H new ATOM 0 HE2 LYS A 7 3.053 -11.513 5.863 1.00 51.11 H new ATOM 0 HE3 LYS A 7 2.288 -12.458 4.600 1.00 51.11 H new ATOM 0 HZ1 LYS A 7 4.317 -13.385 4.482 1.00 45.33 H new ATOM 0 HZ2 LYS A 7 4.686 -12.047 3.504 1.00 45.33 H new ATOM 0 HZ3 LYS A 7 5.113 -12.041 5.147 1.00 45.33 H new ATOM 110 N LEU A 8 4.260 -4.867 3.645 1.00 23.55 N ATOM 111 CA LEU A 8 3.931 -3.494 3.231 1.00 15.42 C ATOM 112 C LEU A 8 5.214 -2.646 3.045 1.00 23.31 C ATOM 113 O LEU A 8 5.307 -1.864 2.098 1.00 2.00 O ATOM 114 CB LEU A 8 2.989 -2.854 4.280 1.00 11.01 C ATOM 115 CG LEU A 8 1.601 -3.544 4.462 1.00 32.54 C ATOM 116 CD1 LEU A 8 0.814 -2.928 5.630 1.00 51.13 C ATOM 117 CD2 LEU A 8 0.776 -3.498 3.164 1.00 22.42 C ATOM 0 H LEU A 8 4.129 -5.031 4.643 1.00 23.55 H new ATOM 0 HA LEU A 8 3.422 -3.526 2.268 1.00 15.42 H new ATOM 0 HB2 LEU A 8 3.500 -2.849 5.243 1.00 11.01 H new ATOM 0 HB3 LEU A 8 2.822 -1.813 4.003 1.00 11.01 H new ATOM 0 HG LEU A 8 1.791 -4.590 4.702 1.00 32.54 H new ATOM 0 HD11 LEU A 8 -0.147 -3.433 5.727 1.00 51.13 H new ATOM 0 HD12 LEU A 8 1.381 -3.046 6.553 1.00 51.13 H new ATOM 0 HD13 LEU A 8 0.649 -1.868 5.439 1.00 51.13 H new ATOM 0 HD21 LEU A 8 -0.185 -3.987 3.326 1.00 22.42 H new ATOM 0 HD22 LEU A 8 0.611 -2.460 2.875 1.00 22.42 H new ATOM 0 HD23 LEU A 8 1.317 -4.014 2.371 1.00 22.42 H new ATOM 129 N GLU A 9 6.206 -2.859 3.942 1.00 13.40 N ATOM 130 CA GLU A 9 7.491 -2.113 3.932 1.00 2.30 C ATOM 131 C GLU A 9 8.383 -2.606 2.782 1.00 44.24 C ATOM 132 O GLU A 9 9.098 -1.829 2.147 1.00 11.31 O ATOM 133 CB GLU A 9 8.229 -2.301 5.290 1.00 63.21 C ATOM 134 CG GLU A 9 7.493 -1.720 6.527 1.00 2.41 C ATOM 135 CD GLU A 9 7.673 -0.207 6.741 1.00 73.50 C ATOM 136 OE1 GLU A 9 7.364 0.585 5.831 1.00 71.14 O ATOM 137 OE2 GLU A 9 8.120 0.202 7.838 1.00 22.45 O ATOM 0 H GLU A 9 6.141 -3.549 4.690 1.00 13.40 H new ATOM 0 HA GLU A 9 7.278 -1.054 3.786 1.00 2.30 H new ATOM 0 HB2 GLU A 9 8.393 -3.366 5.452 1.00 63.21 H new ATOM 0 HB3 GLU A 9 9.211 -1.834 5.219 1.00 63.21 H new ATOM 0 HG2 GLU A 9 6.428 -1.934 6.431 1.00 2.41 H new ATOM 0 HG3 GLU A 9 7.844 -2.242 7.417 1.00 2.41 H new ATOM 144 N LYS A 10 8.308 -3.927 2.547 1.00 64.50 N ATOM 145 CA LYS A 10 9.032 -4.632 1.484 1.00 14.34 C ATOM 146 C LYS A 10 8.439 -4.238 0.124 1.00 12.11 C ATOM 147 O LYS A 10 9.183 -3.967 -0.821 1.00 13.50 O ATOM 148 CB LYS A 10 8.903 -6.158 1.772 1.00 73.21 C ATOM 149 CG LYS A 10 9.874 -7.119 1.058 1.00 14.14 C ATOM 150 CD LYS A 10 9.436 -7.491 -0.380 1.00 0.32 C ATOM 151 CE LYS A 10 10.165 -8.730 -0.908 1.00 34.12 C ATOM 152 NZ LYS A 10 9.786 -9.038 -2.309 1.00 22.04 N ATOM 0 H LYS A 10 7.725 -4.548 3.109 1.00 64.50 H new ATOM 0 HA LYS A 10 10.089 -4.366 1.458 1.00 14.34 H new ATOM 0 HB2 LYS A 10 9.019 -6.305 2.846 1.00 73.21 H new ATOM 0 HB3 LYS A 10 7.887 -6.460 1.516 1.00 73.21 H new ATOM 0 HG2 LYS A 10 10.862 -6.661 1.020 1.00 14.14 H new ATOM 0 HG3 LYS A 10 9.968 -8.031 1.647 1.00 14.14 H new ATOM 0 HD2 LYS A 10 8.361 -7.671 -0.395 1.00 0.32 H new ATOM 0 HD3 LYS A 10 9.627 -6.649 -1.045 1.00 0.32 H new ATOM 0 HE2 LYS A 10 11.242 -8.570 -0.850 1.00 34.12 H new ATOM 0 HE3 LYS A 10 9.935 -9.585 -0.273 1.00 34.12 H new ATOM 0 HZ1 LYS A 10 9.935 -10.050 -2.494 1.00 22.04 H new ATOM 0 HZ2 LYS A 10 8.784 -8.802 -2.457 1.00 22.04 H new ATOM 0 HZ3 LYS A 10 10.373 -8.477 -2.959 1.00 22.04 H new ATOM 166 N ALA A 11 7.085 -4.153 0.080 1.00 51.54 N ATOM 167 CA ALA A 11 6.341 -3.795 -1.140 1.00 40.42 C ATOM 168 C ALA A 11 6.720 -2.392 -1.600 1.00 0.44 C ATOM 169 O ALA A 11 6.971 -2.194 -2.785 1.00 10.44 O ATOM 170 CB ALA A 11 4.827 -3.888 -0.918 1.00 22.44 C ATOM 0 H ALA A 11 6.488 -4.331 0.887 1.00 51.54 H new ATOM 0 HA ALA A 11 6.612 -4.509 -1.917 1.00 40.42 H new ATOM 0 HB1 ALA A 11 4.307 -3.618 -1.837 1.00 22.44 H new ATOM 0 HB2 ALA A 11 4.562 -4.908 -0.638 1.00 22.44 H new ATOM 0 HB3 ALA A 11 4.534 -3.205 -0.121 1.00 22.44 H new ATOM 176 N LEU A 12 6.741 -1.438 -0.629 1.00 34.10 N ATOM 177 CA LEU A 12 7.224 -0.053 -0.827 1.00 15.32 C ATOM 178 C LEU A 12 8.523 -0.004 -1.642 1.00 11.22 C ATOM 179 O LEU A 12 8.597 0.726 -2.623 1.00 72.13 O ATOM 180 CB LEU A 12 7.452 0.648 0.543 1.00 23.32 C ATOM 181 CG LEU A 12 6.183 1.139 1.295 1.00 21.14 C ATOM 182 CD1 LEU A 12 6.532 1.534 2.738 1.00 54.15 C ATOM 183 CD2 LEU A 12 5.513 2.319 0.550 1.00 62.41 C ATOM 0 H LEU A 12 6.418 -1.617 0.322 1.00 34.10 H new ATOM 0 HA LEU A 12 6.451 0.473 -1.387 1.00 15.32 H new ATOM 0 HB2 LEU A 12 7.987 -0.043 1.194 1.00 23.32 H new ATOM 0 HB3 LEU A 12 8.105 1.505 0.382 1.00 23.32 H new ATOM 0 HG LEU A 12 5.469 0.316 1.325 1.00 21.14 H new ATOM 0 HD11 LEU A 12 5.632 1.875 3.250 1.00 54.15 H new ATOM 0 HD12 LEU A 12 6.942 0.671 3.262 1.00 54.15 H new ATOM 0 HD13 LEU A 12 7.270 2.336 2.727 1.00 54.15 H new ATOM 0 HD21 LEU A 12 4.628 2.641 1.099 1.00 62.41 H new ATOM 0 HD22 LEU A 12 6.216 3.149 0.476 1.00 62.41 H new ATOM 0 HD23 LEU A 12 5.222 1.999 -0.451 1.00 62.41 H new ATOM 195 N ILE A 13 9.529 -0.803 -1.226 1.00 1.02 N ATOM 196 CA ILE A 13 10.861 -0.835 -1.853 1.00 12.11 C ATOM 197 C ILE A 13 10.774 -1.400 -3.287 1.00 63.14 C ATOM 198 O ILE A 13 11.339 -0.820 -4.222 1.00 1.21 O ATOM 199 CB ILE A 13 11.864 -1.686 -0.988 1.00 4.11 C ATOM 200 CG1 ILE A 13 11.920 -1.134 0.475 1.00 32.34 C ATOM 201 CG2 ILE A 13 13.281 -1.722 -1.625 1.00 53.12 C ATOM 202 CD1 ILE A 13 12.772 -1.953 1.429 1.00 41.14 C ATOM 0 H ILE A 13 9.436 -1.447 -0.440 1.00 1.02 H new ATOM 0 HA ILE A 13 11.235 0.187 -1.907 1.00 12.11 H new ATOM 0 HB ILE A 13 11.498 -2.712 -0.959 1.00 4.11 H new ATOM 0 HG12 ILE A 13 12.304 -0.114 0.450 1.00 32.34 H new ATOM 0 HG13 ILE A 13 10.905 -1.082 0.869 1.00 32.34 H new ATOM 0 HG21 ILE A 13 13.946 -2.318 -1.000 1.00 53.12 H new ATOM 0 HG22 ILE A 13 13.222 -2.166 -2.619 1.00 53.12 H new ATOM 0 HG23 ILE A 13 13.671 -0.707 -1.704 1.00 53.12 H new ATOM 0 HD11 ILE A 13 12.752 -1.496 2.418 1.00 41.14 H new ATOM 0 HD12 ILE A 13 12.378 -2.967 1.490 1.00 41.14 H new ATOM 0 HD13 ILE A 13 13.799 -1.984 1.064 1.00 41.14 H new ATOM 214 N GLU A 14 10.010 -2.503 -3.447 1.00 2.55 N ATOM 215 CA GLU A 14 9.851 -3.196 -4.747 1.00 35.32 C ATOM 216 C GLU A 14 9.227 -2.264 -5.801 1.00 14.14 C ATOM 217 O GLU A 14 9.658 -2.228 -6.958 1.00 63.34 O ATOM 218 CB GLU A 14 8.960 -4.460 -4.578 1.00 4.12 C ATOM 219 CG GLU A 14 9.476 -5.491 -3.554 1.00 3.34 C ATOM 220 CD GLU A 14 10.793 -6.181 -3.951 1.00 0.13 C ATOM 221 OE1 GLU A 14 11.878 -5.652 -3.648 1.00 3.12 O ATOM 222 OE2 GLU A 14 10.741 -7.275 -4.541 1.00 33.32 O ATOM 0 H GLU A 14 9.489 -2.937 -2.685 1.00 2.55 H new ATOM 0 HA GLU A 14 10.842 -3.493 -5.090 1.00 35.32 H new ATOM 0 HB2 GLU A 14 7.960 -4.144 -4.280 1.00 4.12 H new ATOM 0 HB3 GLU A 14 8.864 -4.950 -5.547 1.00 4.12 H new ATOM 0 HG2 GLU A 14 9.617 -4.993 -2.595 1.00 3.34 H new ATOM 0 HG3 GLU A 14 8.711 -6.253 -3.408 1.00 3.34 H new ATOM 229 N VAL A 15 8.212 -1.494 -5.375 1.00 55.12 N ATOM 230 CA VAL A 15 7.459 -0.586 -6.259 1.00 71.11 C ATOM 231 C VAL A 15 7.987 0.861 -6.175 1.00 3.40 C ATOM 232 O VAL A 15 7.444 1.735 -6.843 1.00 2.34 O ATOM 233 CB VAL A 15 5.917 -0.617 -5.924 1.00 60.43 C ATOM 234 CG1 VAL A 15 5.355 -2.060 -5.994 1.00 71.41 C ATOM 235 CG2 VAL A 15 5.621 0.043 -4.551 1.00 32.02 C ATOM 0 H VAL A 15 7.889 -1.483 -4.407 1.00 55.12 H new ATOM 0 HA VAL A 15 7.605 -0.942 -7.279 1.00 71.11 H new ATOM 0 HB VAL A 15 5.404 -0.028 -6.684 1.00 60.43 H new ATOM 0 HG11 VAL A 15 4.291 -2.048 -5.758 1.00 71.41 H new ATOM 0 HG12 VAL A 15 5.500 -2.459 -6.998 1.00 71.41 H new ATOM 0 HG13 VAL A 15 5.879 -2.690 -5.275 1.00 71.41 H new ATOM 0 HG21 VAL A 15 4.550 0.004 -4.352 1.00 32.02 H new ATOM 0 HG22 VAL A 15 6.155 -0.493 -3.767 1.00 32.02 H new ATOM 0 HG23 VAL A 15 5.949 1.082 -4.568 1.00 32.02 H new ATOM 245 N ARG A 16 9.009 1.090 -5.321 1.00 13.24 N ATOM 246 CA ARG A 16 9.657 2.430 -5.184 1.00 12.13 C ATOM 247 C ARG A 16 10.081 3.033 -6.563 1.00 34.24 C ATOM 248 O ARG A 16 9.808 4.219 -6.803 1.00 23.32 O ATOM 249 CB ARG A 16 10.864 2.389 -4.204 1.00 13.04 C ATOM 250 CG ARG A 16 11.508 3.764 -3.926 1.00 52.23 C ATOM 251 CD ARG A 16 12.731 3.680 -2.997 1.00 52.44 C ATOM 252 NE ARG A 16 13.829 2.891 -3.593 1.00 24.01 N ATOM 253 CZ ARG A 16 15.140 3.171 -3.486 1.00 73.11 C ATOM 254 NH1 ARG A 16 15.558 4.236 -2.809 1.00 12.31 N ATOM 255 NH2 ARG A 16 16.027 2.365 -4.047 1.00 74.13 N ATOM 0 H ARG A 16 9.407 0.373 -4.715 1.00 13.24 H new ATOM 0 HA ARG A 16 8.901 3.092 -4.761 1.00 12.13 H new ATOM 0 HB2 ARG A 16 10.534 1.958 -3.259 1.00 13.04 H new ATOM 0 HB3 ARG A 16 11.624 1.721 -4.610 1.00 13.04 H new ATOM 0 HG2 ARG A 16 11.808 4.216 -4.871 1.00 52.23 H new ATOM 0 HG3 ARG A 16 10.764 4.423 -3.479 1.00 52.23 H new ATOM 0 HD2 ARG A 16 13.087 4.686 -2.775 1.00 52.44 H new ATOM 0 HD3 ARG A 16 12.435 3.230 -2.049 1.00 52.44 H new ATOM 0 HE ARG A 16 13.571 2.064 -4.131 1.00 24.01 H new ATOM 0 HH11 ARG A 16 14.881 4.854 -2.362 1.00 12.31 H new ATOM 0 HH12 ARG A 16 16.556 4.435 -2.737 1.00 12.31 H new ATOM 0 HH21 ARG A 16 15.715 1.538 -4.556 1.00 74.13 H new ATOM 0 HH22 ARG A 16 17.023 2.571 -3.970 1.00 74.13 H new ATOM 269 N PRO A 17 10.748 2.240 -7.500 1.00 14.24 N ATOM 270 CA PRO A 17 11.045 2.712 -8.888 1.00 70.25 C ATOM 271 C PRO A 17 9.800 3.197 -9.670 1.00 62.10 C ATOM 272 O PRO A 17 9.911 4.043 -10.558 1.00 74.44 O ATOM 273 CB PRO A 17 11.663 1.458 -9.567 1.00 73.13 C ATOM 274 CG PRO A 17 12.257 0.672 -8.442 1.00 71.23 C ATOM 275 CD PRO A 17 11.315 0.864 -7.284 1.00 12.22 C ATOM 0 HA PRO A 17 11.698 3.585 -8.873 1.00 70.25 H new ATOM 0 HB2 PRO A 17 10.905 0.881 -10.097 1.00 73.13 H new ATOM 0 HB3 PRO A 17 12.421 1.737 -10.299 1.00 73.13 H new ATOM 0 HG2 PRO A 17 12.349 -0.382 -8.704 1.00 71.23 H new ATOM 0 HG3 PRO A 17 13.258 1.028 -8.198 1.00 71.23 H new ATOM 0 HD2 PRO A 17 10.532 0.106 -7.277 1.00 12.22 H new ATOM 0 HD3 PRO A 17 11.836 0.792 -6.329 1.00 12.22 H new ATOM 283 N TYR A 18 8.626 2.658 -9.312 1.00 40.13 N ATOM 284 CA TYR A 18 7.355 2.902 -10.025 1.00 2.42 C ATOM 285 C TYR A 18 6.537 4.043 -9.385 1.00 20.32 C ATOM 286 O TYR A 18 5.878 4.806 -10.100 1.00 4.02 O ATOM 287 CB TYR A 18 6.498 1.607 -10.023 1.00 11.04 C ATOM 288 CG TYR A 18 7.172 0.380 -10.660 1.00 0.25 C ATOM 289 CD1 TYR A 18 8.031 -0.444 -9.916 1.00 25.51 C ATOM 290 CD2 TYR A 18 6.940 0.035 -11.993 1.00 3.03 C ATOM 291 CE1 TYR A 18 8.629 -1.553 -10.478 1.00 41.30 C ATOM 292 CE2 TYR A 18 7.538 -1.075 -12.559 1.00 72.20 C ATOM 293 CZ TYR A 18 8.378 -1.864 -11.798 1.00 50.24 C ATOM 294 OH TYR A 18 8.974 -2.971 -12.362 1.00 42.22 O ATOM 0 H TYR A 18 8.527 2.033 -8.512 1.00 40.13 H new ATOM 0 HA TYR A 18 7.607 3.196 -11.044 1.00 2.42 H new ATOM 0 HB2 TYR A 18 6.236 1.365 -8.993 1.00 11.04 H new ATOM 0 HB3 TYR A 18 5.566 1.806 -10.551 1.00 11.04 H new ATOM 0 HD1 TYR A 18 8.228 -0.205 -8.881 1.00 25.51 H new ATOM 0 HD2 TYR A 18 6.282 0.646 -12.592 1.00 3.03 H new ATOM 0 HE1 TYR A 18 9.289 -2.173 -9.889 1.00 41.30 H new ATOM 0 HE2 TYR A 18 7.349 -1.324 -13.593 1.00 72.20 H new ATOM 0 HH TYR A 18 8.694 -3.052 -13.298 1.00 42.22 H new ATOM 304 N VAL A 19 6.570 4.151 -8.038 1.00 41.41 N ATOM 305 CA VAL A 19 5.625 5.016 -7.289 1.00 54.11 C ATOM 306 C VAL A 19 6.233 6.385 -6.920 1.00 32.11 C ATOM 307 O VAL A 19 7.416 6.503 -6.584 1.00 0.10 O ATOM 308 CB VAL A 19 5.063 4.315 -5.985 1.00 1.31 C ATOM 309 CG1 VAL A 19 4.329 3.002 -6.339 1.00 44.41 C ATOM 310 CG2 VAL A 19 6.160 4.079 -4.914 1.00 44.31 C ATOM 0 H VAL A 19 7.237 3.653 -7.448 1.00 41.41 H new ATOM 0 HA VAL A 19 4.795 5.186 -7.974 1.00 54.11 H new ATOM 0 HB VAL A 19 4.342 5.001 -5.541 1.00 1.31 H new ATOM 0 HG11 VAL A 19 3.952 2.539 -5.427 1.00 44.41 H new ATOM 0 HG12 VAL A 19 3.496 3.220 -7.007 1.00 44.41 H new ATOM 0 HG13 VAL A 19 5.021 2.320 -6.833 1.00 44.41 H new ATOM 0 HG21 VAL A 19 5.719 3.596 -4.042 1.00 44.31 H new ATOM 0 HG22 VAL A 19 6.940 3.440 -5.327 1.00 44.31 H new ATOM 0 HG23 VAL A 19 6.592 5.035 -4.619 1.00 44.31 H new ATOM 320 N GLU A 20 5.387 7.406 -7.036 1.00 23.53 N ATOM 321 CA GLU A 20 5.597 8.748 -6.491 1.00 41.43 C ATOM 322 C GLU A 20 4.846 8.825 -5.147 1.00 32.22 C ATOM 323 O GLU A 20 3.984 7.970 -4.868 1.00 25.53 O ATOM 324 CB GLU A 20 5.084 9.819 -7.506 1.00 15.20 C ATOM 325 CG GLU A 20 5.296 11.303 -7.103 1.00 3.50 C ATOM 326 CD GLU A 20 6.776 11.680 -6.860 1.00 12.44 C ATOM 327 OE1 GLU A 20 7.495 11.982 -7.835 1.00 14.23 O ATOM 328 OE2 GLU A 20 7.230 11.680 -5.695 1.00 50.32 O ATOM 0 H GLU A 20 4.500 7.319 -7.532 1.00 23.53 H new ATOM 0 HA GLU A 20 6.656 8.948 -6.325 1.00 41.43 H new ATOM 0 HB2 GLU A 20 5.579 9.650 -8.462 1.00 15.20 H new ATOM 0 HB3 GLU A 20 4.018 9.656 -7.666 1.00 15.20 H new ATOM 0 HG2 GLU A 20 4.892 11.944 -7.887 1.00 3.50 H new ATOM 0 HG3 GLU A 20 4.725 11.509 -6.197 1.00 3.50 H new ATOM 335 N TYR A 21 5.214 9.824 -4.310 1.00 12.40 N ATOM 336 CA TYR A 21 4.634 10.055 -2.974 1.00 70.31 C ATOM 337 C TYR A 21 5.016 8.893 -2.047 1.00 45.21 C ATOM 338 O TYR A 21 4.202 8.428 -1.251 1.00 75.23 O ATOM 339 CB TYR A 21 3.084 10.265 -3.025 1.00 1.24 C ATOM 340 CG TYR A 21 2.617 11.312 -4.046 1.00 72.22 C ATOM 341 CD1 TYR A 21 2.888 12.668 -3.864 1.00 70.22 C ATOM 342 CD2 TYR A 21 1.911 10.938 -5.200 1.00 41.33 C ATOM 343 CE1 TYR A 21 2.472 13.608 -4.790 1.00 52.13 C ATOM 344 CE2 TYR A 21 1.494 11.874 -6.124 1.00 2.13 C ATOM 345 CZ TYR A 21 1.778 13.206 -5.917 1.00 4.11 C ATOM 346 OH TYR A 21 1.370 14.143 -6.846 1.00 24.52 O ATOM 0 H TYR A 21 5.936 10.502 -4.553 1.00 12.40 H new ATOM 0 HA TYR A 21 5.048 10.982 -2.576 1.00 70.31 H new ATOM 0 HB2 TYR A 21 2.608 9.312 -3.257 1.00 1.24 H new ATOM 0 HB3 TYR A 21 2.737 10.561 -2.035 1.00 1.24 H new ATOM 0 HD1 TYR A 21 3.431 12.989 -2.987 1.00 70.22 H new ATOM 0 HD2 TYR A 21 1.689 9.895 -5.368 1.00 41.33 H new ATOM 0 HE1 TYR A 21 2.689 14.654 -4.633 1.00 52.13 H new ATOM 0 HE2 TYR A 21 0.949 11.565 -7.003 1.00 2.13 H new ATOM 0 HH TYR A 21 1.643 13.855 -7.742 1.00 24.52 H new ATOM 356 N TYR A 22 6.282 8.442 -2.184 1.00 21.50 N ATOM 357 CA TYR A 22 6.833 7.292 -1.446 1.00 73.43 C ATOM 358 C TYR A 22 6.658 7.459 0.066 1.00 4.53 C ATOM 359 O TYR A 22 6.236 6.531 0.727 1.00 45.30 O ATOM 360 CB TYR A 22 8.333 7.093 -1.774 1.00 2.23 C ATOM 361 CG TYR A 22 8.966 5.875 -1.075 1.00 13.43 C ATOM 362 CD1 TYR A 22 8.696 4.580 -1.517 1.00 74.42 C ATOM 363 CD2 TYR A 22 9.810 6.017 0.038 1.00 2.11 C ATOM 364 CE1 TYR A 22 9.240 3.483 -0.886 1.00 34.14 C ATOM 365 CE2 TYR A 22 10.349 4.916 0.670 1.00 75.54 C ATOM 366 CZ TYR A 22 10.063 3.651 0.202 1.00 71.12 C ATOM 367 OH TYR A 22 10.601 2.544 0.829 1.00 41.21 O ATOM 0 H TYR A 22 6.955 8.873 -2.818 1.00 21.50 H new ATOM 0 HA TYR A 22 6.276 6.410 -1.764 1.00 73.43 H new ATOM 0 HB2 TYR A 22 8.448 6.982 -2.852 1.00 2.23 H new ATOM 0 HB3 TYR A 22 8.880 7.990 -1.486 1.00 2.23 H new ATOM 0 HD1 TYR A 22 8.049 4.435 -2.369 1.00 74.42 H new ATOM 0 HD2 TYR A 22 10.041 7.006 0.406 1.00 2.11 H new ATOM 0 HE1 TYR A 22 9.019 2.489 -1.247 1.00 34.14 H new ATOM 0 HE2 TYR A 22 10.992 5.044 1.528 1.00 75.54 H new ATOM 0 HH TYR A 22 11.161 2.833 1.580 1.00 41.21 H new ATOM 377 N ASN A 23 6.967 8.666 0.574 1.00 64.33 N ATOM 378 CA ASN A 23 6.900 8.984 2.018 1.00 63.00 C ATOM 379 C ASN A 23 5.445 9.072 2.514 1.00 53.24 C ATOM 380 O ASN A 23 5.161 8.787 3.682 1.00 53.11 O ATOM 381 CB ASN A 23 7.658 10.304 2.319 1.00 23.13 C ATOM 382 CG ASN A 23 9.161 10.205 2.024 1.00 23.15 C ATOM 383 OD1 ASN A 23 9.942 9.772 2.865 1.00 1.23 O ATOM 384 ND2 ASN A 23 9.576 10.609 0.835 1.00 21.30 N ATOM 0 H ASN A 23 7.271 9.451 -0.003 1.00 64.33 H new ATOM 0 HA ASN A 23 7.383 8.170 2.558 1.00 63.00 H new ATOM 0 HB2 ASN A 23 7.227 11.109 1.724 1.00 23.13 H new ATOM 0 HB3 ASN A 23 7.514 10.570 3.366 1.00 23.13 H new ATOM 0 HD21 ASN A 23 10.567 10.565 0.599 1.00 21.30 H new ATOM 0 HD22 ASN A 23 8.905 10.965 0.154 1.00 21.30 H new ATOM 391 N GLU A 24 4.530 9.445 1.607 1.00 43.11 N ATOM 392 CA GLU A 24 3.100 9.599 1.916 1.00 32.43 C ATOM 393 C GLU A 24 2.456 8.213 2.043 1.00 4.42 C ATOM 394 O GLU A 24 1.822 7.897 3.059 1.00 22.11 O ATOM 395 CB GLU A 24 2.392 10.456 0.825 1.00 61.20 C ATOM 396 CG GLU A 24 2.739 11.972 0.848 1.00 53.13 C ATOM 397 CD GLU A 24 4.247 12.287 0.730 1.00 73.43 C ATOM 398 OE1 GLU A 24 4.827 12.039 -0.340 1.00 24.32 O ATOM 399 OE2 GLU A 24 4.862 12.762 1.713 1.00 3.03 O ATOM 0 H GLU A 24 4.762 9.649 0.635 1.00 43.11 H new ATOM 0 HA GLU A 24 2.988 10.124 2.865 1.00 32.43 H new ATOM 0 HB2 GLU A 24 2.651 10.055 -0.155 1.00 61.20 H new ATOM 0 HB3 GLU A 24 1.314 10.344 0.940 1.00 61.20 H new ATOM 0 HG2 GLU A 24 2.213 12.464 0.030 1.00 53.13 H new ATOM 0 HG3 GLU A 24 2.362 12.404 1.775 1.00 53.13 H new ATOM 406 N LEU A 25 2.682 7.373 1.018 1.00 11.40 N ATOM 407 CA LEU A 25 2.203 5.987 0.962 1.00 41.41 C ATOM 408 C LEU A 25 2.880 5.140 2.068 1.00 32.24 C ATOM 409 O LEU A 25 2.276 4.215 2.592 1.00 3.10 O ATOM 410 CB LEU A 25 2.493 5.408 -0.453 1.00 40.21 C ATOM 411 CG LEU A 25 1.893 3.998 -0.778 1.00 71.00 C ATOM 412 CD1 LEU A 25 0.356 3.972 -0.599 1.00 54.14 C ATOM 413 CD2 LEU A 25 2.296 3.548 -2.203 1.00 12.30 C ATOM 0 H LEU A 25 3.213 7.647 0.191 1.00 11.40 H new ATOM 0 HA LEU A 25 1.128 5.958 1.140 1.00 41.41 H new ATOM 0 HB2 LEU A 25 2.117 6.115 -1.193 1.00 40.21 H new ATOM 0 HB3 LEU A 25 3.574 5.355 -0.583 1.00 40.21 H new ATOM 0 HG LEU A 25 2.311 3.289 -0.063 1.00 71.00 H new ATOM 0 HD11 LEU A 25 -0.021 2.977 -0.834 1.00 54.14 H new ATOM 0 HD12 LEU A 25 0.106 4.221 0.432 1.00 54.14 H new ATOM 0 HD13 LEU A 25 -0.101 4.700 -1.269 1.00 54.14 H new ATOM 0 HD21 LEU A 25 1.869 2.566 -2.409 1.00 12.30 H new ATOM 0 HD22 LEU A 25 1.921 4.267 -2.931 1.00 12.30 H new ATOM 0 HD23 LEU A 25 3.382 3.493 -2.274 1.00 12.30 H new ATOM 425 N LYS A 26 4.153 5.474 2.365 1.00 54.43 N ATOM 426 CA LYS A 26 4.913 4.876 3.489 1.00 51.43 C ATOM 427 C LYS A 26 4.254 5.184 4.847 1.00 45.31 C ATOM 428 O LYS A 26 4.261 4.335 5.743 1.00 64.33 O ATOM 429 CB LYS A 26 6.390 5.365 3.486 1.00 1.23 C ATOM 430 CG LYS A 26 7.325 4.662 4.500 1.00 52.13 C ATOM 431 CD LYS A 26 8.816 5.023 4.289 1.00 10.32 C ATOM 432 CE LYS A 26 9.145 6.490 4.627 1.00 14.24 C ATOM 433 NZ LYS A 26 8.982 6.774 6.080 1.00 71.10 N ATOM 0 H LYS A 26 4.685 6.164 1.835 1.00 54.43 H new ATOM 0 HA LYS A 26 4.902 3.795 3.346 1.00 51.43 H new ATOM 0 HB2 LYS A 26 6.798 5.227 2.485 1.00 1.23 H new ATOM 0 HB3 LYS A 26 6.401 6.436 3.690 1.00 1.23 H new ATOM 0 HG2 LYS A 26 7.029 4.937 5.512 1.00 52.13 H new ATOM 0 HG3 LYS A 26 7.201 3.582 4.414 1.00 52.13 H new ATOM 0 HD2 LYS A 26 9.431 4.369 4.907 1.00 10.32 H new ATOM 0 HD3 LYS A 26 9.086 4.828 3.251 1.00 10.32 H new ATOM 0 HE2 LYS A 26 10.169 6.711 4.326 1.00 14.24 H new ATOM 0 HE3 LYS A 26 8.495 7.150 4.053 1.00 14.24 H new ATOM 0 HZ1 LYS A 26 9.325 7.734 6.287 1.00 71.10 H new ATOM 0 HZ2 LYS A 26 7.977 6.702 6.337 1.00 71.10 H new ATOM 0 HZ3 LYS A 26 9.531 6.084 6.632 1.00 71.10 H new ATOM 447 N ALA A 27 3.666 6.399 4.990 1.00 4.31 N ATOM 448 CA ALA A 27 2.961 6.816 6.217 1.00 73.21 C ATOM 449 C ALA A 27 1.601 6.108 6.316 1.00 62.02 C ATOM 450 O ALA A 27 1.143 5.777 7.417 1.00 2.13 O ATOM 451 CB ALA A 27 2.793 8.342 6.239 1.00 54.40 C ATOM 0 H ALA A 27 3.670 7.110 4.259 1.00 4.31 H new ATOM 0 HA ALA A 27 3.556 6.528 7.084 1.00 73.21 H new ATOM 0 HB1 ALA A 27 2.271 8.638 7.149 1.00 54.40 H new ATOM 0 HB2 ALA A 27 3.774 8.816 6.213 1.00 54.40 H new ATOM 0 HB3 ALA A 27 2.214 8.657 5.371 1.00 54.40 H new ATOM 457 N LEU A 28 0.981 5.866 5.139 1.00 61.42 N ATOM 458 CA LEU A 28 -0.273 5.104 5.031 1.00 70.13 C ATOM 459 C LEU A 28 -0.018 3.638 5.419 1.00 12.34 C ATOM 460 O LEU A 28 -0.799 3.047 6.151 1.00 14.41 O ATOM 461 CB LEU A 28 -0.830 5.204 3.586 1.00 14.53 C ATOM 462 CG LEU A 28 -2.154 4.419 3.296 1.00 11.41 C ATOM 463 CD1 LEU A 28 -3.305 4.863 4.228 1.00 32.11 C ATOM 464 CD2 LEU A 28 -2.550 4.546 1.807 1.00 0.33 C ATOM 0 H LEU A 28 1.339 6.195 4.242 1.00 61.42 H new ATOM 0 HA LEU A 28 -1.015 5.521 5.712 1.00 70.13 H new ATOM 0 HB2 LEU A 28 -0.999 6.256 3.357 1.00 14.53 H new ATOM 0 HB3 LEU A 28 -0.063 4.847 2.898 1.00 14.53 H new ATOM 0 HG LEU A 28 -1.966 3.366 3.508 1.00 11.41 H new ATOM 0 HD11 LEU A 28 -4.204 4.293 3.993 1.00 32.11 H new ATOM 0 HD12 LEU A 28 -3.023 4.684 5.265 1.00 32.11 H new ATOM 0 HD13 LEU A 28 -3.501 5.926 4.084 1.00 32.11 H new ATOM 0 HD21 LEU A 28 -3.472 3.993 1.627 1.00 0.33 H new ATOM 0 HD22 LEU A 28 -2.702 5.597 1.559 1.00 0.33 H new ATOM 0 HD23 LEU A 28 -1.755 4.138 1.183 1.00 0.33 H new ATOM 476 N VAL A 29 1.127 3.102 4.954 1.00 11.10 N ATOM 477 CA VAL A 29 1.611 1.752 5.275 1.00 3.52 C ATOM 478 C VAL A 29 1.874 1.628 6.784 1.00 50.11 C ATOM 479 O VAL A 29 1.486 0.641 7.390 1.00 71.52 O ATOM 480 CB VAL A 29 2.910 1.423 4.423 1.00 34.22 C ATOM 481 CG1 VAL A 29 3.902 0.480 5.156 1.00 24.31 C ATOM 482 CG2 VAL A 29 2.523 0.855 3.029 1.00 40.33 C ATOM 0 H VAL A 29 1.753 3.611 4.330 1.00 11.10 H new ATOM 0 HA VAL A 29 0.846 1.021 5.012 1.00 3.52 H new ATOM 0 HB VAL A 29 3.438 2.367 4.285 1.00 34.22 H new ATOM 0 HG11 VAL A 29 4.767 0.296 4.519 1.00 24.31 H new ATOM 0 HG12 VAL A 29 4.229 0.947 6.085 1.00 24.31 H new ATOM 0 HG13 VAL A 29 3.408 -0.466 5.379 1.00 24.31 H new ATOM 0 HG21 VAL A 29 3.427 0.636 2.461 1.00 40.33 H new ATOM 0 HG22 VAL A 29 1.945 -0.060 3.157 1.00 40.33 H new ATOM 0 HG23 VAL A 29 1.925 1.590 2.490 1.00 40.33 H new ATOM 492 N SER A 30 2.482 2.680 7.351 1.00 31.02 N ATOM 493 CA SER A 30 2.865 2.728 8.775 1.00 13.45 C ATOM 494 C SER A 30 1.621 2.695 9.684 1.00 24.30 C ATOM 495 O SER A 30 1.636 2.099 10.771 1.00 32.53 O ATOM 496 CB SER A 30 3.695 4.005 9.030 1.00 15.25 C ATOM 497 OG SER A 30 4.308 3.996 10.306 1.00 4.22 O ATOM 0 H SER A 30 2.724 3.526 6.835 1.00 31.02 H new ATOM 0 HA SER A 30 3.466 1.850 9.014 1.00 13.45 H new ATOM 0 HB2 SER A 30 4.462 4.098 8.261 1.00 15.25 H new ATOM 0 HB3 SER A 30 3.050 4.879 8.944 1.00 15.25 H new ATOM 0 HG SER A 30 4.824 4.820 10.427 1.00 4.22 H new ATOM 503 N LYS A 31 0.546 3.335 9.188 1.00 20.22 N ATOM 504 CA LYS A 31 -0.729 3.466 9.887 1.00 64.02 C ATOM 505 C LYS A 31 -1.523 2.149 9.826 1.00 22.01 C ATOM 506 O LYS A 31 -1.929 1.608 10.866 1.00 53.33 O ATOM 507 CB LYS A 31 -1.530 4.631 9.247 1.00 72.03 C ATOM 508 CG LYS A 31 -2.788 5.057 10.028 1.00 62.33 C ATOM 509 CD LYS A 31 -3.511 6.249 9.355 1.00 3.13 C ATOM 510 CE LYS A 31 -4.634 6.831 10.221 1.00 41.11 C ATOM 511 NZ LYS A 31 -5.276 7.997 9.570 1.00 51.40 N ATOM 0 H LYS A 31 0.548 3.782 8.271 1.00 20.22 H new ATOM 0 HA LYS A 31 -0.550 3.686 10.939 1.00 64.02 H new ATOM 0 HB2 LYS A 31 -0.872 5.494 9.148 1.00 72.03 H new ATOM 0 HB3 LYS A 31 -1.827 4.339 8.240 1.00 72.03 H new ATOM 0 HG2 LYS A 31 -3.473 4.212 10.102 1.00 62.33 H new ATOM 0 HG3 LYS A 31 -2.508 5.330 11.045 1.00 62.33 H new ATOM 0 HD2 LYS A 31 -2.785 7.032 9.137 1.00 3.13 H new ATOM 0 HD3 LYS A 31 -3.926 5.924 8.401 1.00 3.13 H new ATOM 0 HE2 LYS A 31 -5.383 6.062 10.412 1.00 41.11 H new ATOM 0 HE3 LYS A 31 -4.230 7.130 11.188 1.00 41.11 H new ATOM 0 HZ1 LYS A 31 -6.031 8.365 10.184 1.00 51.40 H new ATOM 0 HZ2 LYS A 31 -4.566 8.740 9.411 1.00 51.40 H new ATOM 0 HZ3 LYS A 31 -5.683 7.705 8.658 1.00 51.40 H new ATOM 525 N ILE A 32 -1.710 1.628 8.595 1.00 3.54 N ATOM 526 CA ILE A 32 -2.555 0.450 8.346 1.00 51.53 C ATOM 527 C ILE A 32 -1.919 -0.826 8.920 1.00 32.41 C ATOM 528 O ILE A 32 -2.636 -1.659 9.414 1.00 63.23 O ATOM 529 CB ILE A 32 -2.904 0.252 6.812 1.00 30.32 C ATOM 530 CG1 ILE A 32 -1.630 -0.078 5.965 1.00 62.31 C ATOM 531 CG2 ILE A 32 -3.629 1.502 6.253 1.00 35.11 C ATOM 532 CD1 ILE A 32 -1.874 -0.322 4.482 1.00 33.32 C ATOM 0 H ILE A 32 -1.281 2.012 7.753 1.00 3.54 H new ATOM 0 HA ILE A 32 -3.495 0.639 8.865 1.00 51.53 H new ATOM 0 HB ILE A 32 -3.576 -0.603 6.734 1.00 30.32 H new ATOM 0 HG12 ILE A 32 -0.923 0.745 6.068 1.00 62.31 H new ATOM 0 HG13 ILE A 32 -1.153 -0.963 6.387 1.00 62.31 H new ATOM 0 HG21 ILE A 32 -3.860 1.347 5.199 1.00 35.11 H new ATOM 0 HG22 ILE A 32 -4.553 1.665 6.807 1.00 35.11 H new ATOM 0 HG23 ILE A 32 -2.984 2.374 6.359 1.00 35.11 H new ATOM 0 HD11 ILE A 32 -0.927 -0.542 3.989 1.00 33.32 H new ATOM 0 HD12 ILE A 32 -2.552 -1.167 4.359 1.00 33.32 H new ATOM 0 HD13 ILE A 32 -2.318 0.568 4.035 1.00 33.32 H new ATOM 544 N SER A 33 -0.576 -0.959 8.835 1.00 31.02 N ATOM 545 CA SER A 33 0.167 -2.128 9.373 1.00 54.52 C ATOM 546 C SER A 33 -0.026 -2.308 10.893 1.00 72.03 C ATOM 547 O SER A 33 0.011 -3.436 11.403 1.00 32.21 O ATOM 548 CB SER A 33 1.666 -1.989 9.052 1.00 23.53 C ATOM 549 OG SER A 33 2.201 -0.788 9.573 1.00 2.42 O ATOM 0 H SER A 33 0.024 -0.263 8.393 1.00 31.02 H new ATOM 0 HA SER A 33 -0.240 -3.016 8.889 1.00 54.52 H new ATOM 0 HB2 SER A 33 2.208 -2.839 9.466 1.00 23.53 H new ATOM 0 HB3 SER A 33 1.811 -2.014 7.972 1.00 23.53 H new ATOM 0 HG SER A 33 2.078 -0.066 8.922 1.00 2.42 H new ATOM 555 N SER A 34 -0.252 -1.181 11.595 1.00 52.22 N ATOM 556 CA SER A 34 -0.462 -1.167 13.052 1.00 45.40 C ATOM 557 C SER A 34 -1.965 -1.343 13.392 1.00 62.33 C ATOM 558 O SER A 34 -2.345 -1.317 14.570 1.00 4.44 O ATOM 559 CB SER A 34 0.098 0.157 13.642 1.00 34.45 C ATOM 560 OG SER A 34 0.195 0.104 15.059 1.00 30.01 O ATOM 0 H SER A 34 -0.294 -0.256 11.167 1.00 52.22 H new ATOM 0 HA SER A 34 0.073 -2.004 13.501 1.00 45.40 H new ATOM 0 HB2 SER A 34 1.082 0.357 13.218 1.00 34.45 H new ATOM 0 HB3 SER A 34 -0.548 0.986 13.353 1.00 34.45 H new ATOM 0 HG SER A 34 -0.558 -0.410 15.419 1.00 30.01 H new ATOM 566 N SER A 35 -2.801 -1.553 12.352 1.00 11.23 N ATOM 567 CA SER A 35 -4.269 -1.647 12.478 1.00 42.20 C ATOM 568 C SER A 35 -4.802 -2.980 11.899 1.00 61.50 C ATOM 569 O SER A 35 -5.776 -3.535 12.415 1.00 61.53 O ATOM 570 CB SER A 35 -4.912 -0.438 11.751 1.00 33.22 C ATOM 571 OG SER A 35 -6.328 -0.452 11.860 1.00 53.04 O ATOM 0 H SER A 35 -2.471 -1.663 11.393 1.00 11.23 H new ATOM 0 HA SER A 35 -4.537 -1.627 13.534 1.00 42.20 H new ATOM 0 HB2 SER A 35 -4.524 0.489 12.173 1.00 33.22 H new ATOM 0 HB3 SER A 35 -4.628 -0.453 10.699 1.00 33.22 H new ATOM 0 HG SER A 35 -6.700 0.325 11.392 1.00 53.04 H new ATOM 577 N VAL A 36 -4.158 -3.491 10.835 1.00 10.55 N ATOM 578 CA VAL A 36 -4.600 -4.704 10.120 1.00 62.42 C ATOM 579 C VAL A 36 -3.898 -5.936 10.706 1.00 61.43 C ATOM 580 O VAL A 36 -2.673 -5.960 10.875 1.00 34.34 O ATOM 581 CB VAL A 36 -4.356 -4.619 8.558 1.00 20.45 C ATOM 582 CG1 VAL A 36 -5.169 -3.462 7.931 1.00 30.10 C ATOM 583 CG2 VAL A 36 -2.859 -4.506 8.189 1.00 43.05 C ATOM 0 H VAL A 36 -3.313 -3.074 10.444 1.00 10.55 H new ATOM 0 HA VAL A 36 -5.677 -4.790 10.262 1.00 62.42 H new ATOM 0 HB VAL A 36 -4.710 -5.560 8.138 1.00 20.45 H new ATOM 0 HG11 VAL A 36 -4.983 -3.426 6.858 1.00 30.10 H new ATOM 0 HG12 VAL A 36 -6.232 -3.625 8.110 1.00 30.10 H new ATOM 0 HG13 VAL A 36 -4.866 -2.518 8.383 1.00 30.10 H new ATOM 0 HG21 VAL A 36 -2.754 -4.451 7.105 1.00 43.05 H new ATOM 0 HG22 VAL A 36 -2.440 -3.606 8.640 1.00 43.05 H new ATOM 0 HG23 VAL A 36 -2.325 -5.381 8.561 1.00 43.05 H new ATOM 593 N ASN A 37 -4.702 -6.938 11.041 1.00 4.31 N ATOM 594 CA ASN A 37 -4.237 -8.173 11.691 1.00 33.31 C ATOM 595 C ASN A 37 -3.770 -9.193 10.638 1.00 1.24 C ATOM 596 O ASN A 37 -2.991 -10.094 10.950 1.00 74.44 O ATOM 597 CB ASN A 37 -5.372 -8.771 12.560 1.00 24.41 C ATOM 598 CG ASN A 37 -6.022 -7.738 13.486 1.00 74.43 C ATOM 599 OD1 ASN A 37 -5.593 -7.540 14.622 1.00 13.22 O ATOM 600 ND2 ASN A 37 -7.058 -7.070 13.001 1.00 12.51 N ATOM 0 H ASN A 37 -5.707 -6.923 10.870 1.00 4.31 H new ATOM 0 HA ASN A 37 -3.390 -7.935 12.334 1.00 33.31 H new ATOM 0 HB2 ASN A 37 -6.135 -9.198 11.909 1.00 24.41 H new ATOM 0 HB3 ASN A 37 -4.971 -9.588 13.160 1.00 24.41 H new ATOM 0 HD21 ASN A 37 -7.525 -6.367 13.574 1.00 12.51 H new ATOM 0 HD22 ASN A 37 -7.389 -7.259 12.055 1.00 12.51 H new ATOM 607 N ASP A 38 -4.256 -9.045 9.392 1.00 24.45 N ATOM 608 CA ASP A 38 -3.913 -9.943 8.269 1.00 0.44 C ATOM 609 C ASP A 38 -3.691 -9.111 6.986 1.00 13.11 C ATOM 610 O ASP A 38 -4.179 -7.980 6.883 1.00 44.10 O ATOM 611 CB ASP A 38 -5.027 -11.005 8.067 1.00 32.40 C ATOM 612 CG ASP A 38 -4.626 -12.100 7.063 1.00 51.23 C ATOM 613 OD1 ASP A 38 -3.848 -13.005 7.438 1.00 63.40 O ATOM 614 OD2 ASP A 38 -5.043 -12.041 5.888 1.00 34.01 O ATOM 0 H ASP A 38 -4.900 -8.298 9.133 1.00 24.45 H new ATOM 0 HA ASP A 38 -2.989 -10.473 8.499 1.00 0.44 H new ATOM 0 HB2 ASP A 38 -5.263 -11.466 9.026 1.00 32.40 H new ATOM 0 HB3 ASP A 38 -5.935 -10.512 7.718 1.00 32.40 H new ATOM 619 N LEU A 39 -2.936 -9.684 6.023 1.00 4.42 N ATOM 620 CA LEU A 39 -2.545 -9.000 4.768 1.00 13.01 C ATOM 621 C LEU A 39 -3.779 -8.734 3.879 1.00 22.41 C ATOM 622 O LEU A 39 -3.810 -7.736 3.153 1.00 55.42 O ATOM 623 CB LEU A 39 -1.449 -9.852 4.044 1.00 11.34 C ATOM 624 CG LEU A 39 -0.695 -9.245 2.791 1.00 61.21 C ATOM 625 CD1 LEU A 39 -1.499 -9.357 1.487 1.00 20.12 C ATOM 626 CD2 LEU A 39 -0.234 -7.788 3.043 1.00 45.12 C ATOM 0 H LEU A 39 -2.579 -10.637 6.093 1.00 4.42 H new ATOM 0 HA LEU A 39 -2.119 -8.022 4.992 1.00 13.01 H new ATOM 0 HB2 LEU A 39 -0.694 -10.112 4.786 1.00 11.34 H new ATOM 0 HB3 LEU A 39 -1.917 -10.783 3.725 1.00 11.34 H new ATOM 0 HG LEU A 39 0.195 -9.859 2.658 1.00 61.21 H new ATOM 0 HD11 LEU A 39 -0.926 -8.923 0.668 1.00 20.12 H new ATOM 0 HD12 LEU A 39 -1.700 -10.407 1.273 1.00 20.12 H new ATOM 0 HD13 LEU A 39 -2.442 -8.821 1.594 1.00 20.12 H new ATOM 0 HD21 LEU A 39 0.279 -7.410 2.158 1.00 45.12 H new ATOM 0 HD22 LEU A 39 -1.102 -7.163 3.254 1.00 45.12 H new ATOM 0 HD23 LEU A 39 0.446 -7.764 3.894 1.00 45.12 H new ATOM 638 N GLU A 40 -4.792 -9.624 3.965 1.00 63.01 N ATOM 639 CA GLU A 40 -6.082 -9.454 3.267 1.00 33.32 C ATOM 640 C GLU A 40 -6.750 -8.124 3.678 1.00 11.51 C ATOM 641 O GLU A 40 -7.317 -7.419 2.834 1.00 1.12 O ATOM 642 CB GLU A 40 -7.028 -10.648 3.572 1.00 41.35 C ATOM 643 CG GLU A 40 -8.383 -10.577 2.841 1.00 40.20 C ATOM 644 CD GLU A 40 -9.367 -11.681 3.251 1.00 35.31 C ATOM 645 OE1 GLU A 40 -9.359 -12.769 2.629 1.00 22.03 O ATOM 646 OE2 GLU A 40 -10.163 -11.464 4.191 1.00 12.32 O ATOM 0 H GLU A 40 -4.737 -10.478 4.520 1.00 63.01 H new ATOM 0 HA GLU A 40 -5.889 -9.428 2.194 1.00 33.32 H new ATOM 0 HB2 GLU A 40 -6.526 -11.575 3.296 1.00 41.35 H new ATOM 0 HB3 GLU A 40 -7.208 -10.690 4.646 1.00 41.35 H new ATOM 0 HG2 GLU A 40 -8.839 -9.606 3.035 1.00 40.20 H new ATOM 0 HG3 GLU A 40 -8.209 -10.639 1.767 1.00 40.20 H new ATOM 653 N GLU A 41 -6.607 -7.774 4.975 1.00 11.32 N ATOM 654 CA GLU A 41 -7.183 -6.545 5.547 1.00 11.31 C ATOM 655 C GLU A 41 -6.475 -5.311 4.980 1.00 61.13 C ATOM 656 O GLU A 41 -7.112 -4.292 4.724 1.00 75.44 O ATOM 657 CB GLU A 41 -7.070 -6.556 7.087 1.00 51.31 C ATOM 658 CG GLU A 41 -7.725 -7.759 7.772 1.00 40.34 C ATOM 659 CD GLU A 41 -7.523 -7.805 9.293 1.00 0.23 C ATOM 660 OE1 GLU A 41 -7.583 -6.745 9.954 1.00 24.42 O ATOM 661 OE2 GLU A 41 -7.308 -8.903 9.838 1.00 65.33 O ATOM 0 H GLU A 41 -6.090 -8.336 5.651 1.00 11.32 H new ATOM 0 HA GLU A 41 -8.238 -6.504 5.275 1.00 11.31 H new ATOM 0 HB2 GLU A 41 -6.015 -6.531 7.360 1.00 51.31 H new ATOM 0 HB3 GLU A 41 -7.522 -5.644 7.477 1.00 51.31 H new ATOM 0 HG2 GLU A 41 -8.794 -7.746 7.559 1.00 40.34 H new ATOM 0 HG3 GLU A 41 -7.324 -8.674 7.336 1.00 40.34 H new ATOM 668 N ALA A 42 -5.155 -5.452 4.746 1.00 1.05 N ATOM 669 CA ALA A 42 -4.315 -4.372 4.210 1.00 54.40 C ATOM 670 C ALA A 42 -4.724 -4.057 2.772 1.00 44.31 C ATOM 671 O ALA A 42 -4.848 -2.887 2.405 1.00 3.41 O ATOM 672 CB ALA A 42 -2.827 -4.750 4.289 1.00 50.01 C ATOM 0 H ALA A 42 -4.646 -6.318 4.924 1.00 1.05 H new ATOM 0 HA ALA A 42 -4.463 -3.478 4.816 1.00 54.40 H new ATOM 0 HB1 ALA A 42 -2.223 -3.936 3.887 1.00 50.01 H new ATOM 0 HB2 ALA A 42 -2.551 -4.927 5.329 1.00 50.01 H new ATOM 0 HB3 ALA A 42 -2.650 -5.655 3.707 1.00 50.01 H new ATOM 678 N ILE A 43 -4.925 -5.137 1.986 1.00 52.41 N ATOM 679 CA ILE A 43 -5.358 -5.040 0.590 1.00 34.21 C ATOM 680 C ILE A 43 -6.689 -4.261 0.473 1.00 73.04 C ATOM 681 O ILE A 43 -6.697 -3.216 -0.156 1.00 1.12 O ATOM 682 CB ILE A 43 -5.508 -6.466 -0.064 1.00 4.22 C ATOM 683 CG1 ILE A 43 -4.130 -7.200 -0.134 1.00 4.02 C ATOM 684 CG2 ILE A 43 -6.162 -6.380 -1.465 1.00 61.35 C ATOM 685 CD1 ILE A 43 -4.187 -8.609 -0.715 1.00 74.43 C ATOM 0 H ILE A 43 -4.790 -6.095 2.308 1.00 52.41 H new ATOM 0 HA ILE A 43 -4.586 -4.493 0.049 1.00 34.21 H new ATOM 0 HB ILE A 43 -6.170 -7.052 0.574 1.00 4.22 H new ATOM 0 HG12 ILE A 43 -3.445 -6.601 -0.735 1.00 4.02 H new ATOM 0 HG13 ILE A 43 -3.710 -7.253 0.871 1.00 4.02 H new ATOM 0 HG21 ILE A 43 -6.250 -7.381 -1.887 1.00 61.35 H new ATOM 0 HG22 ILE A 43 -7.153 -5.934 -1.377 1.00 61.35 H new ATOM 0 HG23 ILE A 43 -5.544 -5.764 -2.118 1.00 61.35 H new ATOM 0 HD11 ILE A 43 -3.186 -9.040 -0.724 1.00 74.43 H new ATOM 0 HD12 ILE A 43 -4.843 -9.229 -0.103 1.00 74.43 H new ATOM 0 HD13 ILE A 43 -4.573 -8.567 -1.733 1.00 74.43 H new ATOM 697 N VAL A 44 -7.805 -4.811 1.030 1.00 32.10 N ATOM 698 CA VAL A 44 -9.141 -4.146 1.087 1.00 22.32 C ATOM 699 C VAL A 44 -9.058 -2.644 1.459 1.00 25.23 C ATOM 700 O VAL A 44 -9.650 -1.803 0.767 1.00 53.34 O ATOM 701 CB VAL A 44 -10.102 -4.873 2.111 1.00 71.23 C ATOM 702 CG1 VAL A 44 -11.507 -4.208 2.145 1.00 73.41 C ATOM 703 CG2 VAL A 44 -10.219 -6.388 1.809 1.00 11.40 C ATOM 0 H VAL A 44 -7.803 -5.738 1.456 1.00 32.10 H new ATOM 0 HA VAL A 44 -9.545 -4.222 0.078 1.00 22.32 H new ATOM 0 HB VAL A 44 -9.655 -4.764 3.099 1.00 71.23 H new ATOM 0 HG11 VAL A 44 -12.141 -4.733 2.859 1.00 73.41 H new ATOM 0 HG12 VAL A 44 -11.409 -3.165 2.446 1.00 73.41 H new ATOM 0 HG13 VAL A 44 -11.958 -4.259 1.154 1.00 73.41 H new ATOM 0 HG21 VAL A 44 -10.888 -6.853 2.534 1.00 11.40 H new ATOM 0 HG22 VAL A 44 -10.618 -6.529 0.805 1.00 11.40 H new ATOM 0 HG23 VAL A 44 -9.234 -6.850 1.876 1.00 11.40 H new ATOM 713 N VAL A 45 -8.360 -2.339 2.581 1.00 45.45 N ATOM 714 CA VAL A 45 -8.134 -0.939 3.019 1.00 21.21 C ATOM 715 C VAL A 45 -7.545 -0.097 1.867 1.00 62.43 C ATOM 716 O VAL A 45 -8.064 0.975 1.568 1.00 45.43 O ATOM 717 CB VAL A 45 -7.206 -0.852 4.299 1.00 33.51 C ATOM 718 CG1 VAL A 45 -6.732 0.601 4.581 1.00 74.32 C ATOM 719 CG2 VAL A 45 -7.940 -1.421 5.538 1.00 34.22 C ATOM 0 H VAL A 45 -7.946 -3.040 3.196 1.00 45.45 H new ATOM 0 HA VAL A 45 -9.106 -0.530 3.297 1.00 21.21 H new ATOM 0 HB VAL A 45 -6.320 -1.453 4.096 1.00 33.51 H new ATOM 0 HG11 VAL A 45 -6.098 0.611 5.468 1.00 74.32 H new ATOM 0 HG12 VAL A 45 -6.166 0.971 3.726 1.00 74.32 H new ATOM 0 HG13 VAL A 45 -7.599 1.241 4.747 1.00 74.32 H new ATOM 0 HG21 VAL A 45 -7.289 -1.354 6.409 1.00 34.22 H new ATOM 0 HG22 VAL A 45 -8.848 -0.846 5.719 1.00 34.22 H new ATOM 0 HG23 VAL A 45 -8.201 -2.464 5.359 1.00 34.22 H new ATOM 729 N LEU A 46 -6.507 -0.633 1.197 1.00 73.34 N ATOM 730 CA LEU A 46 -5.844 0.043 0.063 1.00 30.25 C ATOM 731 C LEU A 46 -6.774 0.134 -1.172 1.00 72.21 C ATOM 732 O LEU A 46 -6.654 1.077 -1.953 1.00 4.32 O ATOM 733 CB LEU A 46 -4.515 -0.667 -0.312 1.00 50.43 C ATOM 734 CG LEU A 46 -3.360 -0.581 0.731 1.00 53.32 C ATOM 735 CD1 LEU A 46 -2.140 -1.414 0.280 1.00 64.54 C ATOM 736 CD2 LEU A 46 -2.966 0.887 1.015 1.00 43.40 C ATOM 0 H LEU A 46 -6.105 -1.543 1.424 1.00 73.34 H new ATOM 0 HA LEU A 46 -5.615 1.059 0.385 1.00 30.25 H new ATOM 0 HB2 LEU A 46 -4.731 -1.720 -0.495 1.00 50.43 H new ATOM 0 HB3 LEU A 46 -4.157 -0.247 -1.252 1.00 50.43 H new ATOM 0 HG LEU A 46 -3.725 -1.008 1.665 1.00 53.32 H new ATOM 0 HD11 LEU A 46 -1.350 -1.335 1.027 1.00 64.54 H new ATOM 0 HD12 LEU A 46 -2.433 -2.458 0.170 1.00 64.54 H new ATOM 0 HD13 LEU A 46 -1.775 -1.037 -0.675 1.00 64.54 H new ATOM 0 HD21 LEU A 46 -2.158 0.912 1.746 1.00 43.40 H new ATOM 0 HD22 LEU A 46 -2.634 1.360 0.091 1.00 43.40 H new ATOM 0 HD23 LEU A 46 -3.828 1.426 1.408 1.00 43.40 H new ATOM 748 N ARG A 47 -7.685 -0.865 -1.344 1.00 42.52 N ATOM 749 CA ARG A 47 -8.708 -0.852 -2.425 1.00 11.11 C ATOM 750 C ARG A 47 -9.675 0.327 -2.247 1.00 64.22 C ATOM 751 O ARG A 47 -10.228 0.836 -3.218 1.00 4.54 O ATOM 752 CB ARG A 47 -9.500 -2.193 -2.482 1.00 12.44 C ATOM 753 CG ARG A 47 -8.657 -3.429 -2.862 1.00 33.53 C ATOM 754 CD ARG A 47 -9.488 -4.720 -2.990 1.00 62.22 C ATOM 755 NE ARG A 47 -10.501 -4.634 -4.069 1.00 15.34 N ATOM 756 CZ ARG A 47 -11.192 -5.669 -4.587 1.00 0.45 C ATOM 757 NH1 ARG A 47 -11.011 -6.909 -4.160 1.00 52.45 N ATOM 758 NH2 ARG A 47 -12.063 -5.449 -5.560 1.00 70.13 N ATOM 0 H ARG A 47 -7.730 -1.690 -0.746 1.00 42.52 H new ATOM 0 HA ARG A 47 -8.179 -0.733 -3.371 1.00 11.11 H new ATOM 0 HB2 ARG A 47 -9.959 -2.369 -1.509 1.00 12.44 H new ATOM 0 HB3 ARG A 47 -10.311 -2.089 -3.203 1.00 12.44 H new ATOM 0 HG2 ARG A 47 -8.150 -3.237 -3.807 1.00 33.53 H new ATOM 0 HG3 ARG A 47 -7.883 -3.577 -2.109 1.00 33.53 H new ATOM 0 HD2 ARG A 47 -8.822 -5.560 -3.187 1.00 62.22 H new ATOM 0 HD3 ARG A 47 -9.987 -4.924 -2.042 1.00 62.22 H new ATOM 0 HE ARG A 47 -10.692 -3.709 -4.454 1.00 15.34 H new ATOM 0 HH11 ARG A 47 -10.335 -7.100 -3.421 1.00 52.45 H new ATOM 0 HH12 ARG A 47 -11.548 -7.673 -4.570 1.00 52.45 H new ATOM 0 HH21 ARG A 47 -12.207 -4.502 -5.912 1.00 70.13 H new ATOM 0 HH22 ARG A 47 -12.590 -6.226 -5.958 1.00 70.13 H new ATOM 772 N GLU A 48 -9.831 0.774 -0.993 1.00 60.31 N ATOM 773 CA GLU A 48 -10.644 1.943 -0.656 1.00 15.21 C ATOM 774 C GLU A 48 -9.796 3.209 -0.758 1.00 43.23 C ATOM 775 O GLU A 48 -10.272 4.203 -1.275 1.00 61.41 O ATOM 776 CB GLU A 48 -11.259 1.783 0.752 1.00 23.34 C ATOM 777 CG GLU A 48 -12.266 0.616 0.866 1.00 64.14 C ATOM 778 CD GLU A 48 -13.487 0.775 -0.066 1.00 25.13 C ATOM 779 OE1 GLU A 48 -13.578 0.067 -1.094 1.00 12.20 O ATOM 780 OE2 GLU A 48 -14.359 1.629 0.214 1.00 72.00 O ATOM 0 H GLU A 48 -9.394 0.331 -0.184 1.00 60.31 H new ATOM 0 HA GLU A 48 -11.467 2.028 -1.365 1.00 15.21 H new ATOM 0 HB2 GLU A 48 -10.456 1.629 1.473 1.00 23.34 H new ATOM 0 HB3 GLU A 48 -11.761 2.711 1.026 1.00 23.34 H new ATOM 0 HG2 GLU A 48 -11.757 -0.319 0.632 1.00 64.14 H new ATOM 0 HG3 GLU A 48 -12.611 0.541 1.897 1.00 64.14 H new ATOM 787 N GLU A 49 -8.525 3.122 -0.311 1.00 71.21 N ATOM 788 CA GLU A 49 -7.582 4.273 -0.311 1.00 22.44 C ATOM 789 C GLU A 49 -7.340 4.805 -1.725 1.00 15.44 C ATOM 790 O GLU A 49 -7.213 6.011 -1.921 1.00 25.55 O ATOM 791 CB GLU A 49 -6.227 3.903 0.353 1.00 72.01 C ATOM 792 CG GLU A 49 -6.313 3.608 1.860 1.00 43.44 C ATOM 793 CD GLU A 49 -6.976 4.746 2.658 1.00 73.15 C ATOM 794 OE1 GLU A 49 -6.335 5.801 2.856 1.00 53.33 O ATOM 795 OE2 GLU A 49 -8.143 4.595 3.083 1.00 62.30 O ATOM 0 H GLU A 49 -8.121 2.261 0.058 1.00 71.21 H new ATOM 0 HA GLU A 49 -8.052 5.060 0.278 1.00 22.44 H new ATOM 0 HB2 GLU A 49 -5.816 3.029 -0.152 1.00 72.01 H new ATOM 0 HB3 GLU A 49 -5.525 4.721 0.196 1.00 72.01 H new ATOM 0 HG2 GLU A 49 -6.877 2.688 2.013 1.00 43.44 H new ATOM 0 HG3 GLU A 49 -5.309 3.435 2.249 1.00 43.44 H new ATOM 802 N GLU A 50 -7.212 3.866 -2.673 1.00 33.00 N ATOM 803 CA GLU A 50 -7.172 4.140 -4.115 1.00 60.35 C ATOM 804 C GLU A 50 -8.350 5.052 -4.531 1.00 32.41 C ATOM 805 O GLU A 50 -8.140 6.105 -5.143 1.00 32.41 O ATOM 806 CB GLU A 50 -7.220 2.791 -4.872 1.00 1.24 C ATOM 807 CG GLU A 50 -7.304 2.903 -6.409 1.00 43.21 C ATOM 808 CD GLU A 50 -7.520 1.558 -7.113 1.00 52.34 C ATOM 809 OE1 GLU A 50 -6.998 1.354 -8.217 1.00 25.54 O ATOM 810 OE2 GLU A 50 -8.243 0.695 -6.577 1.00 63.11 O ATOM 0 H GLU A 50 -7.132 2.873 -2.453 1.00 33.00 H new ATOM 0 HA GLU A 50 -6.251 4.666 -4.367 1.00 60.35 H new ATOM 0 HB2 GLU A 50 -6.331 2.216 -4.614 1.00 1.24 H new ATOM 0 HB3 GLU A 50 -8.081 2.224 -4.517 1.00 1.24 H new ATOM 0 HG2 GLU A 50 -8.120 3.576 -6.672 1.00 43.21 H new ATOM 0 HG3 GLU A 50 -6.385 3.355 -6.782 1.00 43.21 H new ATOM 817 N LYS A 51 -9.588 4.607 -4.200 1.00 52.14 N ATOM 818 CA LYS A 51 -10.838 5.365 -4.418 1.00 55.42 C ATOM 819 C LYS A 51 -10.816 6.742 -3.708 1.00 41.33 C ATOM 820 O LYS A 51 -11.325 7.724 -4.255 1.00 22.45 O ATOM 821 CB LYS A 51 -12.043 4.533 -3.895 1.00 22.52 C ATOM 822 CG LYS A 51 -12.257 3.179 -4.614 1.00 12.01 C ATOM 823 CD LYS A 51 -13.183 2.213 -3.825 1.00 14.22 C ATOM 824 CE LYS A 51 -14.577 2.792 -3.526 1.00 64.11 C ATOM 825 NZ LYS A 51 -15.375 1.891 -2.650 1.00 50.44 N ATOM 0 H LYS A 51 -9.744 3.697 -3.767 1.00 52.14 H new ATOM 0 HA LYS A 51 -10.935 5.546 -5.489 1.00 55.42 H new ATOM 0 HB2 LYS A 51 -11.902 4.345 -2.831 1.00 22.52 H new ATOM 0 HB3 LYS A 51 -12.950 5.129 -3.996 1.00 22.52 H new ATOM 0 HG2 LYS A 51 -12.686 3.361 -5.599 1.00 12.01 H new ATOM 0 HG3 LYS A 51 -11.290 2.700 -4.771 1.00 12.01 H new ATOM 0 HD2 LYS A 51 -13.298 1.290 -4.393 1.00 14.22 H new ATOM 0 HD3 LYS A 51 -12.700 1.950 -2.884 1.00 14.22 H new ATOM 0 HE2 LYS A 51 -14.471 3.765 -3.046 1.00 64.11 H new ATOM 0 HE3 LYS A 51 -15.111 2.955 -4.462 1.00 64.11 H new ATOM 0 HZ1 LYS A 51 -16.153 1.472 -3.199 1.00 50.44 H new ATOM 0 HZ2 LYS A 51 -14.764 1.134 -2.282 1.00 50.44 H new ATOM 0 HZ3 LYS A 51 -15.766 2.436 -1.856 1.00 50.44 H new ATOM 839 N LYS A 52 -10.233 6.793 -2.479 1.00 71.50 N ATOM 840 CA LYS A 52 -10.179 8.040 -1.672 1.00 13.04 C ATOM 841 C LYS A 52 -9.214 9.056 -2.313 1.00 1.53 C ATOM 842 O LYS A 52 -9.400 10.275 -2.188 1.00 13.45 O ATOM 843 CB LYS A 52 -9.701 7.771 -0.208 1.00 33.22 C ATOM 844 CG LYS A 52 -10.438 6.661 0.564 1.00 53.53 C ATOM 845 CD LYS A 52 -11.963 6.867 0.698 1.00 32.32 C ATOM 846 CE LYS A 52 -12.637 5.687 1.434 1.00 41.53 C ATOM 847 NZ LYS A 52 -14.086 5.923 1.659 1.00 43.12 N ATOM 0 H LYS A 52 -9.796 5.988 -2.029 1.00 71.50 H new ATOM 0 HA LYS A 52 -11.193 8.438 -1.647 1.00 13.04 H new ATOM 0 HB2 LYS A 52 -8.641 7.520 -0.236 1.00 33.22 H new ATOM 0 HB3 LYS A 52 -9.794 8.699 0.357 1.00 33.22 H new ATOM 0 HG2 LYS A 52 -10.257 5.709 0.065 1.00 53.53 H new ATOM 0 HG3 LYS A 52 -10.007 6.585 1.562 1.00 53.53 H new ATOM 0 HD2 LYS A 52 -12.159 7.793 1.239 1.00 32.32 H new ATOM 0 HD3 LYS A 52 -12.404 6.977 -0.293 1.00 32.32 H new ATOM 0 HE2 LYS A 52 -12.505 4.775 0.852 1.00 41.53 H new ATOM 0 HE3 LYS A 52 -12.143 5.528 2.393 1.00 41.53 H new ATOM 0 HZ1 LYS A 52 -14.498 5.107 2.155 1.00 43.12 H new ATOM 0 HZ2 LYS A 52 -14.213 6.779 2.236 1.00 43.12 H new ATOM 0 HZ3 LYS A 52 -14.564 6.049 0.744 1.00 43.12 H new ATOM 861 N ALA A 53 -8.178 8.527 -2.979 1.00 40.34 N ATOM 862 CA ALA A 53 -7.150 9.325 -3.655 1.00 13.34 C ATOM 863 C ALA A 53 -7.538 9.615 -5.105 1.00 23.33 C ATOM 864 O ALA A 53 -8.438 8.983 -5.667 1.00 70.24 O ATOM 865 CB ALA A 53 -5.799 8.594 -3.600 1.00 21.01 C ATOM 0 H ALA A 53 -8.030 7.521 -3.063 1.00 40.34 H new ATOM 0 HA ALA A 53 -7.063 10.279 -3.136 1.00 13.34 H new ATOM 0 HB1 ALA A 53 -5.040 9.193 -4.104 1.00 21.01 H new ATOM 0 HB2 ALA A 53 -5.510 8.442 -2.560 1.00 21.01 H new ATOM 0 HB3 ALA A 53 -5.888 7.628 -4.097 1.00 21.01 H new ATOM 871 N SER A 54 -6.849 10.596 -5.692 1.00 20.14 N ATOM 872 CA SER A 54 -6.949 10.928 -7.116 1.00 0.14 C ATOM 873 C SER A 54 -5.569 10.731 -7.765 1.00 44.45 C ATOM 874 O SER A 54 -4.564 10.588 -7.055 1.00 23.20 O ATOM 875 CB SER A 54 -7.453 12.382 -7.288 1.00 54.23 C ATOM 876 OG SER A 54 -7.685 12.694 -8.651 1.00 33.24 O ATOM 0 H SER A 54 -6.195 11.192 -5.184 1.00 20.14 H new ATOM 0 HA SER A 54 -7.667 10.272 -7.608 1.00 0.14 H new ATOM 0 HB2 SER A 54 -8.374 12.518 -6.721 1.00 54.23 H new ATOM 0 HB3 SER A 54 -6.719 13.074 -6.875 1.00 54.23 H new ATOM 0 HG SER A 54 -8.004 13.618 -8.725 1.00 33.24 H new ATOM 882 N GLU A 55 -5.529 10.688 -9.108 1.00 61.13 N ATOM 883 CA GLU A 55 -4.277 10.528 -9.875 1.00 71.05 C ATOM 884 C GLU A 55 -3.361 11.767 -9.661 1.00 45.34 C ATOM 885 O GLU A 55 -3.879 12.887 -9.586 1.00 33.12 O ATOM 886 CB GLU A 55 -4.604 10.310 -11.376 1.00 45.25 C ATOM 887 CG GLU A 55 -5.469 9.063 -11.644 1.00 54.33 C ATOM 888 CD GLU A 55 -5.847 8.900 -13.123 1.00 4.12 C ATOM 889 OE1 GLU A 55 -5.063 8.299 -13.888 1.00 73.44 O ATOM 890 OE2 GLU A 55 -6.918 9.392 -13.534 1.00 50.53 O ATOM 0 H GLU A 55 -6.361 10.763 -9.693 1.00 61.13 H new ATOM 0 HA GLU A 55 -3.738 9.650 -9.518 1.00 71.05 H new ATOM 0 HB2 GLU A 55 -5.122 11.190 -11.758 1.00 45.25 H new ATOM 0 HB3 GLU A 55 -3.671 10.222 -11.933 1.00 45.25 H new ATOM 0 HG2 GLU A 55 -4.929 8.176 -11.313 1.00 54.33 H new ATOM 0 HG3 GLU A 55 -6.379 9.124 -11.047 1.00 54.33 H new ATOM 897 N PRO A 56 -1.992 11.613 -9.568 1.00 74.04 N ATOM 898 CA PRO A 56 -1.241 10.350 -9.824 1.00 54.14 C ATOM 899 C PRO A 56 -1.266 9.321 -8.669 1.00 4.33 C ATOM 900 O PRO A 56 -0.975 8.144 -8.900 1.00 73.41 O ATOM 901 CB PRO A 56 0.220 10.853 -10.092 1.00 75.13 C ATOM 902 CG PRO A 56 0.169 12.362 -10.023 1.00 53.32 C ATOM 903 CD PRO A 56 -1.050 12.696 -9.199 1.00 72.44 C ATOM 0 HA PRO A 56 -1.694 9.797 -10.647 1.00 54.14 H new ATOM 0 HB2 PRO A 56 0.911 10.453 -9.350 1.00 75.13 H new ATOM 0 HB3 PRO A 56 0.573 10.520 -11.068 1.00 75.13 H new ATOM 0 HG2 PRO A 56 1.073 12.763 -9.564 1.00 53.32 H new ATOM 0 HG3 PRO A 56 0.098 12.797 -11.020 1.00 53.32 H new ATOM 0 HD2 PRO A 56 -0.831 12.697 -8.131 1.00 72.44 H new ATOM 0 HD3 PRO A 56 -1.448 13.681 -9.443 1.00 72.44 H new ATOM 911 N PHE A 57 -1.615 9.769 -7.443 1.00 74.11 N ATOM 912 CA PHE A 57 -1.531 8.923 -6.226 1.00 3.41 C ATOM 913 C PHE A 57 -2.496 7.707 -6.282 1.00 52.21 C ATOM 914 O PHE A 57 -2.240 6.692 -5.642 1.00 60.22 O ATOM 915 CB PHE A 57 -1.773 9.790 -4.960 1.00 60.22 C ATOM 916 CG PHE A 57 -1.392 9.125 -3.627 1.00 13.14 C ATOM 917 CD1 PHE A 57 -0.176 8.441 -3.489 1.00 63.25 C ATOM 918 CD2 PHE A 57 -2.229 9.199 -2.511 1.00 13.42 C ATOM 919 CE1 PHE A 57 0.181 7.858 -2.288 1.00 14.23 C ATOM 920 CE2 PHE A 57 -1.867 8.611 -1.310 1.00 42.02 C ATOM 921 CZ PHE A 57 -0.664 7.942 -1.200 1.00 63.13 C ATOM 0 H PHE A 57 -1.959 10.713 -7.267 1.00 74.11 H new ATOM 0 HA PHE A 57 -0.525 8.506 -6.177 1.00 3.41 H new ATOM 0 HB2 PHE A 57 -1.207 10.716 -5.060 1.00 60.22 H new ATOM 0 HB3 PHE A 57 -2.828 10.063 -4.923 1.00 60.22 H new ATOM 0 HD1 PHE A 57 0.492 8.369 -4.334 1.00 63.25 H new ATOM 0 HD2 PHE A 57 -3.171 9.722 -2.586 1.00 13.42 H new ATOM 0 HE1 PHE A 57 1.122 7.336 -2.201 1.00 14.23 H new ATOM 0 HE2 PHE A 57 -2.527 8.676 -0.458 1.00 42.02 H new ATOM 0 HZ PHE A 57 -0.384 7.484 -0.263 1.00 63.13 H new ATOM 931 N LYS A 58 -3.579 7.822 -7.081 1.00 31.15 N ATOM 932 CA LYS A 58 -4.513 6.687 -7.342 1.00 71.32 C ATOM 933 C LYS A 58 -3.788 5.505 -8.045 1.00 35.02 C ATOM 934 O LYS A 58 -4.104 4.323 -7.808 1.00 35.30 O ATOM 935 CB LYS A 58 -5.721 7.165 -8.186 1.00 22.13 C ATOM 936 CG LYS A 58 -6.809 6.091 -8.421 1.00 13.01 C ATOM 937 CD LYS A 58 -7.962 6.582 -9.330 1.00 25.00 C ATOM 938 CE LYS A 58 -8.788 7.715 -8.695 1.00 11.32 C ATOM 939 NZ LYS A 58 -9.858 8.198 -9.603 1.00 13.41 N ATOM 0 H LYS A 58 -3.834 8.686 -7.560 1.00 31.15 H new ATOM 0 HA LYS A 58 -4.878 6.326 -6.380 1.00 71.32 H new ATOM 0 HB2 LYS A 58 -6.177 8.022 -7.691 1.00 22.13 H new ATOM 0 HB3 LYS A 58 -5.357 7.512 -9.153 1.00 22.13 H new ATOM 0 HG2 LYS A 58 -6.350 5.210 -8.870 1.00 13.01 H new ATOM 0 HG3 LYS A 58 -7.219 5.782 -7.460 1.00 13.01 H new ATOM 0 HD2 LYS A 58 -7.548 6.928 -10.277 1.00 25.00 H new ATOM 0 HD3 LYS A 58 -8.620 5.743 -9.557 1.00 25.00 H new ATOM 0 HE2 LYS A 58 -9.234 7.362 -7.765 1.00 11.32 H new ATOM 0 HE3 LYS A 58 -8.129 8.544 -8.438 1.00 11.32 H new ATOM 0 HZ1 LYS A 58 -10.390 8.960 -9.137 1.00 13.41 H new ATOM 0 HZ2 LYS A 58 -9.432 8.559 -10.480 1.00 13.41 H new ATOM 0 HZ3 LYS A 58 -10.502 7.413 -9.828 1.00 13.41 H new ATOM 953 N THR A 59 -2.736 5.840 -8.810 1.00 35.34 N ATOM 954 CA THR A 59 -1.936 4.863 -9.556 1.00 24.55 C ATOM 955 C THR A 59 -0.843 4.303 -8.644 1.00 3.32 C ATOM 956 O THR A 59 -0.598 3.099 -8.623 1.00 13.41 O ATOM 957 CB THR A 59 -1.287 5.503 -10.829 1.00 42.34 C ATOM 958 OG1 THR A 59 -2.284 6.217 -11.578 1.00 30.31 O ATOM 959 CG2 THR A 59 -0.621 4.445 -11.736 1.00 12.34 C ATOM 0 H THR A 59 -2.418 6.802 -8.927 1.00 35.34 H new ATOM 0 HA THR A 59 -2.596 4.061 -9.886 1.00 24.55 H new ATOM 0 HB THR A 59 -0.510 6.188 -10.490 1.00 42.34 H new ATOM 0 HG1 THR A 59 -1.872 6.617 -12.372 1.00 30.31 H new ATOM 0 HG21 THR A 59 -0.184 4.935 -12.606 1.00 12.34 H new ATOM 0 HG22 THR A 59 0.161 3.929 -11.179 1.00 12.34 H new ATOM 0 HG23 THR A 59 -1.369 3.723 -12.063 1.00 12.34 H new ATOM 967 N ASP A 60 -0.227 5.208 -7.878 1.00 22.12 N ATOM 968 CA ASP A 60 0.880 4.865 -6.960 1.00 5.32 C ATOM 969 C ASP A 60 0.419 3.886 -5.871 1.00 51.43 C ATOM 970 O ASP A 60 1.166 2.978 -5.482 1.00 32.15 O ATOM 971 CB ASP A 60 1.484 6.156 -6.347 1.00 64.23 C ATOM 972 CG ASP A 60 2.001 7.123 -7.432 1.00 44.32 C ATOM 973 OD1 ASP A 60 2.739 6.662 -8.341 1.00 3.21 O ATOM 974 OD2 ASP A 60 1.685 8.331 -7.396 1.00 61.43 O ATOM 0 H ASP A 60 -0.475 6.197 -7.871 1.00 22.12 H new ATOM 0 HA ASP A 60 1.660 4.361 -7.531 1.00 5.32 H new ATOM 0 HB2 ASP A 60 0.728 6.659 -5.743 1.00 64.23 H new ATOM 0 HB3 ASP A 60 2.302 5.891 -5.678 1.00 64.23 H new ATOM 979 N ILE A 61 -0.830 4.077 -5.404 1.00 71.33 N ATOM 980 CA ILE A 61 -1.505 3.118 -4.525 1.00 63.04 C ATOM 981 C ILE A 61 -1.721 1.783 -5.260 1.00 41.45 C ATOM 982 O ILE A 61 -1.238 0.766 -4.773 1.00 62.43 O ATOM 983 CB ILE A 61 -2.872 3.672 -3.950 1.00 63.14 C ATOM 984 CG1 ILE A 61 -2.606 4.921 -3.046 1.00 53.44 C ATOM 985 CG2 ILE A 61 -3.657 2.577 -3.163 1.00 22.34 C ATOM 986 CD1 ILE A 61 -3.855 5.606 -2.524 1.00 14.43 C ATOM 0 H ILE A 61 -1.392 4.898 -5.627 1.00 71.33 H new ATOM 0 HA ILE A 61 -0.853 2.954 -3.667 1.00 63.04 H new ATOM 0 HB ILE A 61 -3.495 3.969 -4.794 1.00 63.14 H new ATOM 0 HG12 ILE A 61 -1.995 4.614 -2.197 1.00 53.44 H new ATOM 0 HG13 ILE A 61 -2.022 5.645 -3.614 1.00 53.44 H new ATOM 0 HG21 ILE A 61 -4.589 2.998 -2.785 1.00 22.34 H new ATOM 0 HG22 ILE A 61 -3.879 1.741 -3.826 1.00 22.34 H new ATOM 0 HG23 ILE A 61 -3.052 2.226 -2.327 1.00 22.34 H new ATOM 0 HD11 ILE A 61 -3.571 6.459 -1.908 1.00 14.43 H new ATOM 0 HD12 ILE A 61 -4.460 5.949 -3.364 1.00 14.43 H new ATOM 0 HD13 ILE A 61 -4.433 4.902 -1.925 1.00 14.43 H new ATOM 998 N ARG A 62 -2.403 1.792 -6.450 1.00 71.02 N ATOM 999 CA ARG A 62 -2.793 0.529 -7.138 1.00 11.12 C ATOM 1000 C ARG A 62 -1.587 -0.348 -7.556 1.00 33.45 C ATOM 1001 O ARG A 62 -1.732 -1.563 -7.655 1.00 60.43 O ATOM 1002 CB ARG A 62 -3.783 0.777 -8.326 1.00 52.31 C ATOM 1003 CG ARG A 62 -3.255 1.460 -9.621 1.00 54.13 C ATOM 1004 CD ARG A 62 -2.496 0.516 -10.585 1.00 13.13 C ATOM 1005 NE ARG A 62 -3.265 -0.716 -10.881 1.00 24.23 N ATOM 1006 CZ ARG A 62 -2.734 -1.927 -11.138 1.00 71.31 C ATOM 1007 NH1 ARG A 62 -1.419 -2.113 -11.145 1.00 3.22 N ATOM 1008 NH2 ARG A 62 -3.531 -2.964 -11.353 1.00 35.03 N ATOM 0 H ARG A 62 -2.685 2.642 -6.938 1.00 71.02 H new ATOM 0 HA ARG A 62 -3.332 -0.052 -6.390 1.00 11.12 H new ATOM 0 HB2 ARG A 62 -4.203 -0.188 -8.611 1.00 52.31 H new ATOM 0 HB3 ARG A 62 -4.606 1.383 -7.947 1.00 52.31 H new ATOM 0 HG2 ARG A 62 -4.098 1.900 -10.154 1.00 54.13 H new ATOM 0 HG3 ARG A 62 -2.593 2.279 -9.340 1.00 54.13 H new ATOM 0 HD2 ARG A 62 -2.284 1.043 -11.515 1.00 13.13 H new ATOM 0 HD3 ARG A 62 -1.536 0.246 -10.146 1.00 13.13 H new ATOM 0 HE ARG A 62 -4.282 -0.640 -10.891 1.00 24.23 H new ATOM 0 HH11 ARG A 62 -0.792 -1.331 -10.954 1.00 3.22 H new ATOM 0 HH12 ARG A 62 -1.036 -3.038 -11.342 1.00 3.22 H new ATOM 0 HH21 ARG A 62 -4.543 -2.844 -11.324 1.00 35.03 H new ATOM 0 HH22 ARG A 62 -3.132 -3.882 -11.548 1.00 35.03 H new ATOM 1022 N ILE A 63 -0.419 0.276 -7.831 1.00 75.44 N ATOM 1023 CA ILE A 63 0.823 -0.455 -8.172 1.00 13.42 C ATOM 1024 C ILE A 63 1.279 -1.344 -6.996 1.00 2.11 C ATOM 1025 O ILE A 63 1.583 -2.525 -7.190 1.00 64.11 O ATOM 1026 CB ILE A 63 1.982 0.527 -8.608 1.00 34.14 C ATOM 1027 CG1 ILE A 63 1.605 1.280 -9.926 1.00 43.34 C ATOM 1028 CG2 ILE A 63 3.333 -0.215 -8.773 1.00 15.14 C ATOM 1029 CD1 ILE A 63 2.626 2.305 -10.388 1.00 75.14 C ATOM 0 H ILE A 63 -0.311 1.290 -7.823 1.00 75.44 H new ATOM 0 HA ILE A 63 0.597 -1.096 -9.024 1.00 13.42 H new ATOM 0 HB ILE A 63 2.104 1.260 -7.810 1.00 34.14 H new ATOM 0 HG12 ILE A 63 1.463 0.546 -10.719 1.00 43.34 H new ATOM 0 HG13 ILE A 63 0.648 1.781 -9.781 1.00 43.34 H new ATOM 0 HG21 ILE A 63 4.104 0.495 -9.073 1.00 15.14 H new ATOM 0 HG22 ILE A 63 3.613 -0.676 -7.826 1.00 15.14 H new ATOM 0 HG23 ILE A 63 3.233 -0.987 -9.536 1.00 15.14 H new ATOM 0 HD11 ILE A 63 2.279 2.775 -11.308 1.00 75.14 H new ATOM 0 HD12 ILE A 63 2.753 3.065 -9.617 1.00 75.14 H new ATOM 0 HD13 ILE A 63 3.580 1.811 -10.571 1.00 75.14 H new ATOM 1041 N LEU A 64 1.271 -0.778 -5.777 1.00 64.12 N ATOM 1042 CA LEU A 64 1.653 -1.502 -4.547 1.00 22.44 C ATOM 1043 C LEU A 64 0.540 -2.497 -4.178 1.00 60.35 C ATOM 1044 O LEU A 64 0.810 -3.622 -3.745 1.00 32.25 O ATOM 1045 CB LEU A 64 1.931 -0.474 -3.402 1.00 33.10 C ATOM 1046 CG LEU A 64 2.567 -1.028 -2.060 1.00 13.41 C ATOM 1047 CD1 LEU A 64 3.377 0.060 -1.333 1.00 64.04 C ATOM 1048 CD2 LEU A 64 1.507 -1.614 -1.092 1.00 2.12 C ATOM 0 H LEU A 64 1.001 0.192 -5.614 1.00 64.12 H new ATOM 0 HA LEU A 64 2.569 -2.072 -4.706 1.00 22.44 H new ATOM 0 HB2 LEU A 64 2.594 0.297 -3.795 1.00 33.10 H new ATOM 0 HB3 LEU A 64 0.989 0.014 -3.152 1.00 33.10 H new ATOM 0 HG LEU A 64 3.233 -1.837 -2.358 1.00 13.41 H new ATOM 0 HD11 LEU A 64 3.800 -0.352 -0.417 1.00 64.04 H new ATOM 0 HD12 LEU A 64 4.182 0.407 -1.980 1.00 64.04 H new ATOM 0 HD13 LEU A 64 2.723 0.897 -1.086 1.00 64.04 H new ATOM 0 HD21 LEU A 64 1.999 -1.978 -0.190 1.00 2.12 H new ATOM 0 HD22 LEU A 64 0.789 -0.838 -0.825 1.00 2.12 H new ATOM 0 HD23 LEU A 64 0.986 -2.438 -1.579 1.00 2.12 H new ATOM 1060 N LEU A 65 -0.700 -2.028 -4.353 1.00 54.12 N ATOM 1061 CA LEU A 65 -1.928 -2.760 -4.025 1.00 25.31 C ATOM 1062 C LEU A 65 -1.969 -4.106 -4.789 1.00 25.03 C ATOM 1063 O LEU A 65 -1.891 -5.162 -4.166 1.00 2.22 O ATOM 1064 CB LEU A 65 -3.132 -1.843 -4.430 1.00 72.01 C ATOM 1065 CG LEU A 65 -4.495 -1.982 -3.695 1.00 63.43 C ATOM 1066 CD1 LEU A 65 -5.517 -1.002 -4.310 1.00 2.30 C ATOM 1067 CD2 LEU A 65 -5.047 -3.413 -3.690 1.00 30.34 C ATOM 0 H LEU A 65 -0.882 -1.101 -4.738 1.00 54.12 H new ATOM 0 HA LEU A 65 -1.974 -2.994 -2.961 1.00 25.31 H new ATOM 0 HB2 LEU A 65 -2.805 -0.809 -4.315 1.00 72.01 H new ATOM 0 HB3 LEU A 65 -3.318 -2.002 -5.492 1.00 72.01 H new ATOM 0 HG LEU A 65 -4.320 -1.730 -2.649 1.00 63.43 H new ATOM 0 HD11 LEU A 65 -6.472 -1.101 -3.794 1.00 2.30 H new ATOM 0 HD12 LEU A 65 -5.151 0.019 -4.204 1.00 2.30 H new ATOM 0 HD13 LEU A 65 -5.651 -1.232 -5.367 1.00 2.30 H new ATOM 0 HD21 LEU A 65 -5.999 -3.434 -3.160 1.00 30.34 H new ATOM 0 HD22 LEU A 65 -5.195 -3.749 -4.716 1.00 30.34 H new ATOM 0 HD23 LEU A 65 -4.339 -4.074 -3.190 1.00 30.34 H new ATOM 1079 N ASP A 66 -2.135 -4.026 -6.135 1.00 65.15 N ATOM 1080 CA ASP A 66 -2.050 -5.154 -7.085 1.00 53.03 C ATOM 1081 C ASP A 66 -0.875 -6.091 -6.782 1.00 63.52 C ATOM 1082 O ASP A 66 -1.054 -7.311 -6.796 1.00 24.21 O ATOM 1083 CB ASP A 66 -1.910 -4.571 -8.517 1.00 12.21 C ATOM 1084 CG ASP A 66 -1.732 -5.621 -9.626 1.00 32.25 C ATOM 1085 OD1 ASP A 66 -0.571 -5.923 -9.996 1.00 71.43 O ATOM 1086 OD2 ASP A 66 -2.743 -6.119 -10.155 1.00 11.20 O ATOM 0 H ASP A 66 -2.339 -3.141 -6.599 1.00 65.15 H new ATOM 0 HA ASP A 66 -2.956 -5.753 -6.992 1.00 53.03 H new ATOM 0 HB2 ASP A 66 -2.795 -3.975 -8.739 1.00 12.21 H new ATOM 0 HB3 ASP A 66 -1.056 -3.894 -8.537 1.00 12.21 H new ATOM 1091 N PHE A 67 0.329 -5.495 -6.612 1.00 15.45 N ATOM 1092 CA PHE A 67 1.551 -6.233 -6.219 1.00 3.10 C ATOM 1093 C PHE A 67 1.278 -7.214 -5.051 1.00 22.12 C ATOM 1094 O PHE A 67 1.638 -8.396 -5.140 1.00 20.42 O ATOM 1095 CB PHE A 67 2.689 -5.242 -5.846 1.00 60.40 C ATOM 1096 CG PHE A 67 4.007 -5.913 -5.457 1.00 13.23 C ATOM 1097 CD1 PHE A 67 4.829 -6.480 -6.433 1.00 10.15 C ATOM 1098 CD2 PHE A 67 4.420 -5.986 -4.122 1.00 3.23 C ATOM 1099 CE1 PHE A 67 6.015 -7.098 -6.087 1.00 63.14 C ATOM 1100 CE2 PHE A 67 5.606 -6.605 -3.782 1.00 3.21 C ATOM 1101 CZ PHE A 67 6.401 -7.159 -4.764 1.00 62.44 C ATOM 0 H PHE A 67 0.479 -4.495 -6.743 1.00 15.45 H new ATOM 0 HA PHE A 67 1.868 -6.825 -7.077 1.00 3.10 H new ATOM 0 HB2 PHE A 67 2.869 -4.579 -6.692 1.00 60.40 H new ATOM 0 HB3 PHE A 67 2.354 -4.618 -5.017 1.00 60.40 H new ATOM 0 HD1 PHE A 67 4.534 -6.435 -7.471 1.00 10.15 H new ATOM 0 HD2 PHE A 67 3.803 -5.553 -3.348 1.00 3.23 H new ATOM 0 HE1 PHE A 67 6.640 -7.534 -6.852 1.00 63.14 H new ATOM 0 HE2 PHE A 67 5.912 -6.656 -2.747 1.00 3.21 H new ATOM 0 HZ PHE A 67 7.329 -7.642 -4.496 1.00 62.44 H new ATOM 1111 N LEU A 68 0.619 -6.716 -3.979 1.00 51.42 N ATOM 1112 CA LEU A 68 0.232 -7.537 -2.807 1.00 51.42 C ATOM 1113 C LEU A 68 -0.805 -8.601 -3.198 1.00 65.35 C ATOM 1114 O LEU A 68 -0.718 -9.750 -2.754 1.00 30.33 O ATOM 1115 CB LEU A 68 -0.343 -6.656 -1.672 1.00 74.52 C ATOM 1116 CG LEU A 68 0.624 -5.608 -1.055 1.00 54.04 C ATOM 1117 CD1 LEU A 68 -0.108 -4.762 -0.001 1.00 0.52 C ATOM 1118 CD2 LEU A 68 1.889 -6.281 -0.466 1.00 32.12 C ATOM 0 H LEU A 68 0.341 -5.738 -3.902 1.00 51.42 H new ATOM 0 HA LEU A 68 1.135 -8.032 -2.449 1.00 51.42 H new ATOM 0 HB2 LEU A 68 -1.217 -6.130 -2.057 1.00 74.52 H new ATOM 0 HB3 LEU A 68 -0.691 -7.311 -0.874 1.00 74.52 H new ATOM 0 HG LEU A 68 0.960 -4.943 -1.851 1.00 54.04 H new ATOM 0 HD11 LEU A 68 0.582 -4.032 0.423 1.00 0.52 H new ATOM 0 HD12 LEU A 68 -0.944 -4.242 -0.468 1.00 0.52 H new ATOM 0 HD13 LEU A 68 -0.481 -5.411 0.791 1.00 0.52 H new ATOM 0 HD21 LEU A 68 2.543 -5.519 -0.043 1.00 32.12 H new ATOM 0 HD22 LEU A 68 1.597 -6.983 0.315 1.00 32.12 H new ATOM 0 HD23 LEU A 68 2.418 -6.815 -1.255 1.00 32.12 H new ATOM 1130 N GLU A 69 -1.785 -8.191 -4.036 1.00 33.44 N ATOM 1131 CA GLU A 69 -2.871 -9.068 -4.517 1.00 25.32 C ATOM 1132 C GLU A 69 -2.333 -10.230 -5.378 1.00 1.34 C ATOM 1133 O GLU A 69 -3.043 -11.225 -5.570 1.00 62.13 O ATOM 1134 CB GLU A 69 -3.898 -8.260 -5.350 1.00 31.13 C ATOM 1135 CG GLU A 69 -4.543 -7.075 -4.613 1.00 51.33 C ATOM 1136 CD GLU A 69 -5.665 -6.404 -5.423 1.00 41.45 C ATOM 1137 OE1 GLU A 69 -6.858 -6.624 -5.119 1.00 62.34 O ATOM 1138 OE2 GLU A 69 -5.361 -5.658 -6.383 1.00 45.22 O ATOM 0 H GLU A 69 -1.842 -7.239 -4.397 1.00 33.44 H new ATOM 0 HA GLU A 69 -3.355 -9.484 -3.633 1.00 25.32 H new ATOM 0 HB2 GLU A 69 -3.403 -7.885 -6.246 1.00 31.13 H new ATOM 0 HB3 GLU A 69 -4.687 -8.936 -5.681 1.00 31.13 H new ATOM 0 HG2 GLU A 69 -4.946 -7.422 -3.662 1.00 51.33 H new ATOM 0 HG3 GLU A 69 -3.776 -6.336 -4.383 1.00 51.33 H new ATOM 1145 N SER A 70 -1.113 -10.038 -5.941 1.00 22.14 N ATOM 1146 CA SER A 70 -0.392 -11.041 -6.751 1.00 33.54 C ATOM 1147 C SER A 70 -1.053 -11.210 -8.147 1.00 54.00 C ATOM 1148 O SER A 70 -0.732 -12.144 -8.888 1.00 50.21 O ATOM 1149 CB SER A 70 -0.254 -12.394 -5.990 1.00 30.45 C ATOM 1150 OG SER A 70 0.539 -13.335 -6.700 1.00 74.30 O ATOM 0 H SER A 70 -0.597 -9.164 -5.840 1.00 22.14 H new ATOM 0 HA SER A 70 0.621 -10.675 -6.921 1.00 33.54 H new ATOM 0 HB2 SER A 70 0.190 -12.214 -5.011 1.00 30.45 H new ATOM 0 HB3 SER A 70 -1.245 -12.814 -5.818 1.00 30.45 H new ATOM 0 HG SER A 70 0.348 -13.266 -7.659 1.00 74.30 H new ATOM 1156 N LYS A 71 -1.948 -10.265 -8.505 1.00 23.03 N ATOM 1157 CA LYS A 71 -2.663 -10.245 -9.801 1.00 31.33 C ATOM 1158 C LYS A 71 -1.729 -9.828 -10.965 1.00 73.13 C ATOM 1159 O LYS A 71 -0.844 -8.999 -10.764 1.00 62.21 O ATOM 1160 CB LYS A 71 -3.839 -9.238 -9.713 1.00 12.44 C ATOM 1161 CG LYS A 71 -5.035 -9.677 -8.829 1.00 64.20 C ATOM 1162 CD LYS A 71 -5.914 -8.482 -8.373 1.00 31.35 C ATOM 1163 CE LYS A 71 -6.223 -7.459 -9.485 1.00 70.52 C ATOM 1164 NZ LYS A 71 -6.968 -6.284 -8.958 1.00 1.04 N ATOM 0 H LYS A 71 -2.198 -9.486 -7.896 1.00 23.03 H new ATOM 0 HA LYS A 71 -3.027 -11.252 -10.003 1.00 31.33 H new ATOM 0 HB2 LYS A 71 -3.456 -8.292 -9.330 1.00 12.44 H new ATOM 0 HB3 LYS A 71 -4.207 -9.048 -10.721 1.00 12.44 H new ATOM 0 HG2 LYS A 71 -5.651 -10.385 -9.384 1.00 64.20 H new ATOM 0 HG3 LYS A 71 -4.659 -10.202 -7.951 1.00 64.20 H new ATOM 0 HD2 LYS A 71 -6.854 -8.868 -7.979 1.00 31.35 H new ATOM 0 HD3 LYS A 71 -5.411 -7.969 -7.553 1.00 31.35 H new ATOM 0 HE2 LYS A 71 -5.291 -7.125 -9.941 1.00 70.52 H new ATOM 0 HE3 LYS A 71 -6.808 -7.939 -10.269 1.00 70.52 H new ATOM 0 HZ1 LYS A 71 -6.953 -5.519 -9.662 1.00 1.04 H new ATOM 0 HZ2 LYS A 71 -7.953 -6.556 -8.764 1.00 1.04 H new ATOM 0 HZ3 LYS A 71 -6.520 -5.955 -8.079 1.00 1.04 H new ATOM 1178 N PRO A 72 -1.918 -10.396 -12.201 1.00 0.41 N ATOM 1179 CA PRO A 72 -1.231 -9.906 -13.421 1.00 51.44 C ATOM 1180 C PRO A 72 -1.802 -8.528 -13.872 1.00 21.44 C ATOM 1181 O PRO A 72 -1.031 -7.567 -14.063 1.00 71.21 O ATOM 1182 CB PRO A 72 -1.503 -11.025 -14.481 1.00 14.11 C ATOM 1183 CG PRO A 72 -2.078 -12.181 -13.704 1.00 33.41 C ATOM 1184 CD PRO A 72 -2.784 -11.564 -12.515 1.00 5.14 C ATOM 1185 OXT PRO A 72 -3.033 -8.415 -14.006 1.00 37.08 O ATOM 0 HA PRO A 72 -0.165 -9.735 -13.268 1.00 51.44 H new ATOM 0 HB2 PRO A 72 -2.199 -10.681 -15.246 1.00 14.11 H new ATOM 0 HB3 PRO A 72 -0.585 -11.313 -14.992 1.00 14.11 H new ATOM 0 HG2 PRO A 72 -2.772 -12.757 -14.316 1.00 33.41 H new ATOM 0 HG3 PRO A 72 -1.293 -12.865 -13.382 1.00 33.41 H new ATOM 0 HD2 PRO A 72 -3.802 -11.261 -12.759 1.00 5.14 H new ATOM 0 HD3 PRO A 72 -2.850 -12.258 -11.677 1.00 5.14 H new TER 1193 PRO A 72