USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 532 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 13 TYR OH : rot -29:sc= -3.03! USER MOD Set 1.2: A 34 THR OG1 : rot 178:sc= 1 USER MOD Single : A 2 SER OG : rot 180:sc= -5.54! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 1.04 (180deg=0.819) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -5.59! C(o=-5.6!,f=-12!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.436 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.12) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -7.32! C(o=-7.3!,f=-8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0616 USER MOD Single : A 75 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 9.619 8.008 7.482 1.00 0.00 N ATOM 41 CA SER A 2 10.809 8.912 7.596 1.00 0.00 C ATOM 42 C SER A 2 12.050 8.109 8.048 1.00 0.00 C ATOM 43 O SER A 2 13.005 8.059 7.299 1.00 0.00 O ATOM 44 CB SER A 2 10.549 10.106 8.533 1.00 0.00 C ATOM 45 OG SER A 2 11.301 9.977 9.728 1.00 0.00 O ATOM 0 HA SER A 2 11.001 9.328 6.607 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.814 11.035 8.029 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.487 10.164 8.770 1.00 0.00 H new ATOM 0 HG SER A 2 11.124 10.745 10.310 1.00 0.00 H new ATOM 51 N PRO A 3 12.050 7.490 9.232 1.00 0.00 N ATOM 52 CA PRO A 3 13.234 6.705 9.664 1.00 0.00 C ATOM 53 C PRO A 3 13.265 5.316 8.992 1.00 0.00 C ATOM 54 O PRO A 3 13.388 4.315 9.670 1.00 0.00 O ATOM 55 CB PRO A 3 13.040 6.520 11.171 1.00 0.00 C ATOM 56 CG PRO A 3 11.566 6.866 11.495 1.00 0.00 C ATOM 57 CD PRO A 3 10.951 7.514 10.245 1.00 0.00 C ATOM 0 HA PRO A 3 14.163 7.211 9.399 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.267 5.495 11.464 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.717 7.168 11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.014 5.967 11.770 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.511 7.547 12.345 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.079 6.959 9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.620 8.533 10.448 1.00 0.00 H new ATOM 65 N GLU A 4 13.153 5.232 7.687 1.00 0.00 N ATOM 66 CA GLU A 4 13.170 3.897 7.025 1.00 0.00 C ATOM 67 C GLU A 4 12.291 2.951 7.835 1.00 0.00 C ATOM 68 O GLU A 4 12.577 1.779 7.978 1.00 0.00 O ATOM 69 CB GLU A 4 14.603 3.361 6.972 1.00 0.00 C ATOM 70 CG GLU A 4 15.477 4.319 6.157 1.00 0.00 C ATOM 71 CD GLU A 4 16.493 3.518 5.340 1.00 0.00 C ATOM 72 OE1 GLU A 4 17.098 2.619 5.900 1.00 0.00 O ATOM 73 OE2 GLU A 4 16.649 3.816 4.167 1.00 0.00 O ATOM 0 H GLU A 4 13.051 6.028 7.058 1.00 0.00 H new ATOM 0 HA GLU A 4 12.793 3.978 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 4 15.002 3.258 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.615 2.369 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.855 4.920 5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.994 5.010 6.822 1.00 0.00 H new ATOM 80 N GLU A 5 11.227 3.469 8.382 1.00 0.00 N ATOM 81 CA GLU A 5 10.319 2.631 9.203 1.00 0.00 C ATOM 82 C GLU A 5 9.085 2.250 8.395 1.00 0.00 C ATOM 83 O GLU A 5 8.424 1.273 8.688 1.00 0.00 O ATOM 84 CB GLU A 5 9.883 3.417 10.427 1.00 0.00 C ATOM 85 CG GLU A 5 9.502 2.453 11.552 1.00 0.00 C ATOM 86 CD GLU A 5 10.761 2.011 12.298 1.00 0.00 C ATOM 87 OE1 GLU A 5 11.535 2.874 12.680 1.00 0.00 O ATOM 88 OE2 GLU A 5 10.931 0.815 12.475 1.00 0.00 O ATOM 0 H GLU A 5 10.948 4.446 8.293 1.00 0.00 H new ATOM 0 HA GLU A 5 10.846 1.726 9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.689 4.073 10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.034 4.054 10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.810 2.938 12.241 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.987 1.585 11.141 1.00 0.00 H new ATOM 95 N LEU A 6 8.750 3.010 7.390 1.00 0.00 N ATOM 96 CA LEU A 6 7.545 2.664 6.606 1.00 0.00 C ATOM 97 C LEU A 6 7.878 1.545 5.632 1.00 0.00 C ATOM 98 O LEU A 6 7.015 0.814 5.214 1.00 0.00 O ATOM 99 CB LEU A 6 7.010 3.867 5.851 1.00 0.00 C ATOM 100 CG LEU A 6 5.514 3.861 6.065 1.00 0.00 C ATOM 101 CD1 LEU A 6 4.929 5.253 5.822 1.00 0.00 C ATOM 102 CD2 LEU A 6 4.858 2.847 5.126 1.00 0.00 C ATOM 0 H LEU A 6 9.254 3.843 7.085 1.00 0.00 H new ATOM 0 HA LEU A 6 6.770 2.333 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.454 4.790 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.253 3.802 4.790 1.00 0.00 H new ATOM 0 HG LEU A 6 5.312 3.577 7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.851 5.227 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.381 5.964 6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.137 5.561 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.780 2.848 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.072 3.117 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.254 1.852 5.331 1.00 0.00 H new ATOM 114 N LYS A 7 9.123 1.384 5.288 1.00 0.00 N ATOM 115 CA LYS A 7 9.491 0.277 4.368 1.00 0.00 C ATOM 116 C LYS A 7 9.206 -1.052 5.075 1.00 0.00 C ATOM 117 O LYS A 7 9.217 -2.106 4.473 1.00 0.00 O ATOM 118 CB LYS A 7 10.981 0.370 4.033 1.00 0.00 C ATOM 119 CG LYS A 7 11.367 -0.760 3.070 1.00 0.00 C ATOM 120 CD LYS A 7 12.626 -1.463 3.585 1.00 0.00 C ATOM 121 CE LYS A 7 13.247 -2.290 2.459 1.00 0.00 C ATOM 122 NZ LYS A 7 14.628 -1.800 2.190 1.00 0.00 N ATOM 0 H LYS A 7 9.898 1.968 5.602 1.00 0.00 H new ATOM 0 HA LYS A 7 8.913 0.343 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.202 1.337 3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.574 0.301 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.548 -1.474 2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.545 -0.357 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.343 -0.727 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.376 -2.107 4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.271 -3.344 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.639 -2.212 1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.052 -2.361 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.593 -0.800 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.204 -1.897 3.050 1.00 0.00 H new ATOM 136 N GLY A 8 8.950 -1.005 6.358 1.00 0.00 N ATOM 137 CA GLY A 8 8.667 -2.262 7.113 1.00 0.00 C ATOM 138 C GLY A 8 7.300 -2.824 6.711 1.00 0.00 C ATOM 139 O GLY A 8 7.016 -3.989 6.909 1.00 0.00 O ATOM 0 H GLY A 8 8.925 -0.151 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.445 -2.999 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.686 -2.063 8.185 1.00 0.00 H new ATOM 143 N ILE A 9 6.450 -2.009 6.149 1.00 0.00 N ATOM 144 CA ILE A 9 5.110 -2.493 5.736 1.00 0.00 C ATOM 145 C ILE A 9 5.266 -3.594 4.710 1.00 0.00 C ATOM 146 O ILE A 9 4.733 -4.664 4.843 1.00 0.00 O ATOM 147 CB ILE A 9 4.338 -1.347 5.104 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.060 -1.887 4.461 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.214 -0.613 4.084 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.341 -2.432 3.073 1.00 0.00 C ATOM 0 H ILE A 9 6.631 -1.023 5.959 1.00 0.00 H new ATOM 0 HA ILE A 9 4.577 -2.870 6.609 1.00 0.00 H new ATOM 0 HB ILE A 9 4.058 -0.627 5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.638 -2.674 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.315 -1.094 4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.647 0.205 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.097 -0.214 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.522 -1.307 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.417 -2.810 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.741 -1.637 2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.068 -3.241 3.140 1.00 0.00 H new ATOM 162 N PHE A 10 5.987 -3.330 3.678 1.00 0.00 N ATOM 163 CA PHE A 10 6.171 -4.357 2.637 1.00 0.00 C ATOM 164 C PHE A 10 6.347 -5.757 3.238 1.00 0.00 C ATOM 165 O PHE A 10 5.402 -6.495 3.380 1.00 0.00 O ATOM 166 CB PHE A 10 7.359 -3.986 1.761 1.00 0.00 C ATOM 167 CG PHE A 10 6.914 -3.691 0.370 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.656 -3.153 0.090 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.775 -4.038 -0.662 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.270 -2.970 -1.242 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.406 -3.840 -1.975 1.00 0.00 C ATOM 172 CZ PHE A 10 6.157 -3.313 -2.273 1.00 0.00 C ATOM 0 H PHE A 10 6.461 -2.443 3.506 1.00 0.00 H new ATOM 0 HA PHE A 10 5.269 -4.389 2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.867 -3.117 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.080 -4.803 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.988 -2.881 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.740 -4.466 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.295 -2.567 -1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.089 -4.095 -2.772 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.867 -3.166 -3.303 1.00 0.00 H new ATOM 182 N GLU A 11 7.532 -6.133 3.603 1.00 0.00 N ATOM 183 CA GLU A 11 7.735 -7.494 4.200 1.00 0.00 C ATOM 184 C GLU A 11 6.643 -7.770 5.243 1.00 0.00 C ATOM 185 O GLU A 11 6.382 -8.895 5.616 1.00 0.00 O ATOM 186 CB GLU A 11 9.104 -7.549 4.882 1.00 0.00 C ATOM 187 CG GLU A 11 9.114 -6.601 6.084 1.00 0.00 C ATOM 188 CD GLU A 11 10.419 -6.774 6.862 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.138 -7.717 6.574 1.00 0.00 O ATOM 190 OE2 GLU A 11 10.679 -5.960 7.733 1.00 0.00 O ATOM 0 H GLU A 11 8.375 -5.565 3.518 1.00 0.00 H new ATOM 0 HA GLU A 11 7.683 -8.244 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.320 -8.567 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.885 -7.267 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.014 -5.569 5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.262 -6.809 6.732 1.00 0.00 H new ATOM 197 N LYS A 12 6.016 -6.738 5.707 1.00 0.00 N ATOM 198 CA LYS A 12 4.929 -6.883 6.727 1.00 0.00 C ATOM 199 C LYS A 12 3.599 -7.184 6.025 1.00 0.00 C ATOM 200 O LYS A 12 3.209 -8.326 5.880 1.00 0.00 O ATOM 201 CB LYS A 12 4.813 -5.594 7.549 1.00 0.00 C ATOM 202 CG LYS A 12 3.798 -5.796 8.666 1.00 0.00 C ATOM 203 CD LYS A 12 4.518 -6.305 9.913 1.00 0.00 C ATOM 204 CE LYS A 12 3.502 -6.942 10.855 1.00 0.00 C ATOM 205 NZ LYS A 12 4.136 -8.085 11.571 1.00 0.00 N ATOM 0 H LYS A 12 6.207 -5.777 5.424 1.00 0.00 H new ATOM 0 HA LYS A 12 5.170 -7.708 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.783 -5.328 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.506 -4.767 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.288 -4.858 8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.035 -6.510 8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.280 -7.033 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.030 -5.483 10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.143 -6.204 11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.635 -7.288 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.443 -8.519 12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.458 -8.792 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.950 -7.742 12.120 1.00 0.00 H new ATOM 219 N TYR A 13 2.898 -6.165 5.589 1.00 0.00 N ATOM 220 CA TYR A 13 1.604 -6.389 4.900 1.00 0.00 C ATOM 221 C TYR A 13 1.873 -6.886 3.477 1.00 0.00 C ATOM 222 O TYR A 13 1.142 -7.710 2.964 1.00 0.00 O ATOM 223 CB TYR A 13 0.822 -5.074 4.809 1.00 0.00 C ATOM 224 CG TYR A 13 0.783 -4.375 6.149 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.855 -5.110 7.338 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.667 -2.979 6.197 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.812 -4.447 8.573 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.624 -2.318 7.428 1.00 0.00 C ATOM 229 CZ TYR A 13 0.696 -3.052 8.617 1.00 0.00 C ATOM 230 OH TYR A 13 0.653 -2.402 9.833 1.00 0.00 O ATOM 0 H TYR A 13 3.174 -5.188 5.685 1.00 0.00 H new ATOM 0 HA TYR A 13 1.027 -7.123 5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.284 -4.422 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.194 -5.273 4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.944 -6.186 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.611 -2.412 5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.868 -5.013 9.491 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.535 -1.242 7.461 1.00 0.00 H new ATOM 0 HH TYR A 13 0.259 -2.994 10.507 1.00 0.00 H new ATOM 240 N ALA A 14 2.914 -6.421 2.824 1.00 0.00 N ATOM 241 CA ALA A 14 3.162 -6.936 1.449 1.00 0.00 C ATOM 242 C ALA A 14 3.401 -8.441 1.564 1.00 0.00 C ATOM 243 O ALA A 14 2.990 -9.204 0.719 1.00 0.00 O ATOM 244 CB ALA A 14 4.391 -6.249 0.795 1.00 0.00 C ATOM 0 H ALA A 14 3.579 -5.731 3.173 1.00 0.00 H new ATOM 0 HA ALA A 14 2.303 -6.720 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.541 -6.650 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.217 -5.175 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.278 -6.439 1.399 1.00 0.00 H new ATOM 250 N ASP A 15 4.060 -8.864 2.623 1.00 0.00 N ATOM 251 CA ASP A 15 4.358 -10.316 2.827 1.00 0.00 C ATOM 252 C ASP A 15 3.152 -11.040 3.418 1.00 0.00 C ATOM 253 O ASP A 15 3.128 -12.253 3.491 1.00 0.00 O ATOM 254 CB ASP A 15 5.529 -10.471 3.799 1.00 0.00 C ATOM 255 CG ASP A 15 6.268 -11.776 3.498 1.00 0.00 C ATOM 256 OD1 ASP A 15 5.997 -12.360 2.461 1.00 0.00 O ATOM 257 OD2 ASP A 15 7.091 -12.170 4.308 1.00 0.00 O ATOM 0 H ASP A 15 4.407 -8.253 3.362 1.00 0.00 H new ATOM 0 HA ASP A 15 4.603 -10.748 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.209 -9.625 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.165 -10.474 4.827 1.00 0.00 H new ATOM 262 N LYS A 16 2.150 -10.326 3.839 1.00 0.00 N ATOM 263 CA LYS A 16 0.973 -11.003 4.412 1.00 0.00 C ATOM 264 C LYS A 16 0.376 -11.871 3.319 1.00 0.00 C ATOM 265 O LYS A 16 -0.221 -12.901 3.564 1.00 0.00 O ATOM 266 CB LYS A 16 -0.021 -9.939 4.858 1.00 0.00 C ATOM 267 CG LYS A 16 -1.396 -10.562 5.044 1.00 0.00 C ATOM 268 CD LYS A 16 -2.159 -10.422 3.735 1.00 0.00 C ATOM 269 CE LYS A 16 -3.645 -10.696 3.972 1.00 0.00 C ATOM 270 NZ LYS A 16 -4.419 -9.431 3.818 1.00 0.00 N ATOM 0 H LYS A 16 2.100 -9.308 3.809 1.00 0.00 H new ATOM 0 HA LYS A 16 1.234 -11.621 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.312 -9.486 5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.071 -9.141 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.304 -11.612 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.933 -10.066 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.024 -9.419 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.764 -11.120 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.005 -11.442 3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.795 -11.106 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.434 -9.650 3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.244 -8.815 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.119 -8.944 2.949 1.00 0.00 H new ATOM 284 N GLU A 17 0.555 -11.449 2.106 1.00 0.00 N ATOM 285 CA GLU A 17 0.026 -12.223 0.949 1.00 0.00 C ATOM 286 C GLU A 17 1.162 -13.067 0.347 1.00 0.00 C ATOM 287 O GLU A 17 1.847 -13.778 1.053 1.00 0.00 O ATOM 288 CB GLU A 17 -0.525 -11.250 -0.096 1.00 0.00 C ATOM 289 CG GLU A 17 0.581 -10.285 -0.527 1.00 0.00 C ATOM 290 CD GLU A 17 0.565 -10.131 -2.049 1.00 0.00 C ATOM 291 OE1 GLU A 17 -0.161 -10.872 -2.693 1.00 0.00 O ATOM 292 OE2 GLU A 17 1.279 -9.276 -2.545 1.00 0.00 O ATOM 0 H GLU A 17 1.050 -10.592 1.860 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.776 -12.886 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.899 -11.800 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.367 -10.694 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.436 -9.315 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.551 -10.659 -0.200 1.00 0.00 H new ATOM 299 N GLY A 18 1.370 -13.003 -0.945 1.00 0.00 N ATOM 300 CA GLY A 18 2.462 -13.813 -1.564 1.00 0.00 C ATOM 301 C GLY A 18 3.816 -13.390 -0.984 1.00 0.00 C ATOM 302 O GLY A 18 4.207 -13.825 0.081 1.00 0.00 O ATOM 0 H GLY A 18 0.833 -12.428 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.291 -14.873 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.461 -13.676 -2.645 1.00 0.00 H new ATOM 306 N ASP A 19 4.537 -12.547 -1.678 1.00 0.00 N ATOM 307 CA ASP A 19 5.869 -12.099 -1.166 1.00 0.00 C ATOM 308 C ASP A 19 5.677 -10.860 -0.301 1.00 0.00 C ATOM 309 O ASP A 19 4.584 -10.393 -0.128 1.00 0.00 O ATOM 310 CB ASP A 19 6.774 -11.710 -2.334 1.00 0.00 C ATOM 311 CG ASP A 19 8.188 -12.244 -2.087 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.356 -13.013 -1.156 1.00 0.00 O ATOM 313 OD2 ASP A 19 9.077 -11.874 -2.836 1.00 0.00 O ATOM 0 H ASP A 19 4.262 -12.149 -2.576 1.00 0.00 H new ATOM 0 HA ASP A 19 6.318 -12.912 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.378 -12.116 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.798 -10.626 -2.444 1.00 0.00 H new ATOM 318 N GLY A 20 6.747 -10.299 0.192 1.00 0.00 N ATOM 319 CA GLY A 20 6.649 -9.053 1.007 1.00 0.00 C ATOM 320 C GLY A 20 7.376 -7.964 0.244 1.00 0.00 C ATOM 321 O GLY A 20 7.821 -6.979 0.799 1.00 0.00 O ATOM 0 H GLY A 20 7.695 -10.654 0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.606 -8.780 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.097 -9.199 1.990 1.00 0.00 H new ATOM 325 N ASN A 21 7.492 -8.140 -1.043 1.00 0.00 N ATOM 326 CA ASN A 21 8.175 -7.129 -1.867 1.00 0.00 C ATOM 327 C ASN A 21 7.174 -6.536 -2.862 1.00 0.00 C ATOM 328 O ASN A 21 7.513 -5.729 -3.701 1.00 0.00 O ATOM 329 CB ASN A 21 9.340 -7.778 -2.609 1.00 0.00 C ATOM 330 CG ASN A 21 10.456 -8.117 -1.618 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.306 -7.297 -1.336 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.488 -9.303 -1.074 1.00 0.00 N ATOM 0 H ASN A 21 7.138 -8.949 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 21 8.565 -6.332 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.003 -8.682 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.716 -7.103 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.227 -9.541 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.774 -9.992 -1.311 1.00 0.00 H new ATOM 339 N GLN A 22 5.936 -6.921 -2.759 1.00 0.00 N ATOM 340 CA GLN A 22 4.898 -6.355 -3.665 1.00 0.00 C ATOM 341 C GLN A 22 3.600 -6.204 -2.871 1.00 0.00 C ATOM 342 O GLN A 22 3.344 -6.935 -1.936 1.00 0.00 O ATOM 343 CB GLN A 22 4.676 -7.246 -4.888 1.00 0.00 C ATOM 344 CG GLN A 22 6.000 -7.877 -5.327 1.00 0.00 C ATOM 345 CD GLN A 22 6.177 -9.236 -4.648 1.00 0.00 C ATOM 346 OE1 GLN A 22 7.229 -9.526 -4.114 1.00 0.00 O ATOM 347 NE2 GLN A 22 5.189 -10.088 -4.651 1.00 0.00 N ATOM 0 H GLN A 22 5.595 -7.606 -2.084 1.00 0.00 H new ATOM 0 HA GLN A 22 5.232 -5.385 -4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.953 -8.027 -4.652 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.256 -6.658 -5.704 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.015 -7.997 -6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.830 -7.220 -5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.306 -9.844 -5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.299 -10.999 -4.205 1.00 0.00 H new ATOM 356 N LEU A 23 2.805 -5.224 -3.198 1.00 0.00 N ATOM 357 CA LEU A 23 1.557 -4.983 -2.420 1.00 0.00 C ATOM 358 C LEU A 23 0.291 -5.247 -3.246 1.00 0.00 C ATOM 359 O LEU A 23 0.339 -5.733 -4.351 1.00 0.00 O ATOM 360 CB LEU A 23 1.572 -3.519 -1.983 1.00 0.00 C ATOM 361 CG LEU A 23 2.071 -3.438 -0.544 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.332 -1.979 -0.172 1.00 0.00 C ATOM 363 CD2 LEU A 23 1.024 -4.031 0.398 1.00 0.00 C ATOM 0 H LEU A 23 2.965 -4.578 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 23 1.533 -5.667 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.218 -2.936 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.572 -3.092 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 23 2.998 -4.004 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.688 -1.924 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.086 -1.562 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.408 -1.408 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.384 -3.972 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.093 -3.471 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.847 -5.074 0.135 1.00 0.00 H new ATOM 375 N SER A 24 -0.847 -4.917 -2.684 1.00 0.00 N ATOM 376 CA SER A 24 -2.134 -5.095 -3.347 1.00 0.00 C ATOM 377 C SER A 24 -3.094 -4.116 -2.664 1.00 0.00 C ATOM 378 O SER A 24 -2.686 -3.338 -1.825 1.00 0.00 O ATOM 379 CB SER A 24 -2.597 -6.533 -3.147 1.00 0.00 C ATOM 380 OG SER A 24 -1.477 -7.338 -2.804 1.00 0.00 O ATOM 0 H SER A 24 -0.916 -4.515 -1.749 1.00 0.00 H new ATOM 0 HA SER A 24 -2.084 -4.905 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.349 -6.580 -2.360 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.065 -6.908 -4.057 1.00 0.00 H new ATOM 0 HG SER A 24 -1.768 -8.264 -2.673 1.00 0.00 H new ATOM 386 N LYS A 25 -4.343 -4.127 -2.999 1.00 0.00 N ATOM 387 CA LYS A 25 -5.281 -3.172 -2.343 1.00 0.00 C ATOM 388 C LYS A 25 -5.682 -3.695 -0.960 1.00 0.00 C ATOM 389 O LYS A 25 -6.021 -2.933 -0.076 1.00 0.00 O ATOM 390 CB LYS A 25 -6.527 -2.987 -3.200 1.00 0.00 C ATOM 391 CG LYS A 25 -6.994 -1.534 -3.095 1.00 0.00 C ATOM 392 CD LYS A 25 -7.475 -1.051 -4.462 1.00 0.00 C ATOM 393 CE LYS A 25 -8.661 -1.903 -4.913 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.668 -1.034 -5.586 1.00 0.00 N ATOM 0 H LYS A 25 -4.760 -4.748 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.778 -2.211 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.310 -3.238 -4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.316 -3.661 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.799 -1.452 -2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.178 -0.904 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.766 -0.002 -4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.666 -1.120 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.324 -2.683 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.111 -2.403 -4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.476 -1.613 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.997 -0.305 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.235 -0.577 -6.414 1.00 0.00 H new ATOM 408 N GLU A 26 -5.642 -4.984 -0.758 1.00 0.00 N ATOM 409 CA GLU A 26 -6.015 -5.538 0.572 1.00 0.00 C ATOM 410 C GLU A 26 -4.823 -5.407 1.524 1.00 0.00 C ATOM 411 O GLU A 26 -4.888 -5.797 2.673 1.00 0.00 O ATOM 412 CB GLU A 26 -6.393 -7.011 0.422 1.00 0.00 C ATOM 413 CG GLU A 26 -7.366 -7.169 -0.749 1.00 0.00 C ATOM 414 CD GLU A 26 -7.915 -8.596 -0.769 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.248 -9.458 -1.316 1.00 0.00 O ATOM 416 OE2 GLU A 26 -8.992 -8.802 -0.236 1.00 0.00 O ATOM 0 H GLU A 26 -5.367 -5.675 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.865 -4.987 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.500 -7.612 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.851 -7.376 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.184 -6.455 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.859 -6.950 -1.689 1.00 0.00 H new ATOM 423 N GLU A 27 -3.729 -4.874 1.046 1.00 0.00 N ATOM 424 CA GLU A 27 -2.529 -4.731 1.915 1.00 0.00 C ATOM 425 C GLU A 27 -2.220 -3.252 2.154 1.00 0.00 C ATOM 426 O GLU A 27 -1.451 -2.906 3.027 1.00 0.00 O ATOM 427 CB GLU A 27 -1.337 -5.400 1.229 1.00 0.00 C ATOM 428 CG GLU A 27 -1.663 -6.867 0.934 1.00 0.00 C ATOM 429 CD GLU A 27 -2.390 -7.491 2.127 1.00 0.00 C ATOM 430 OE1 GLU A 27 -2.039 -7.160 3.249 1.00 0.00 O ATOM 431 OE2 GLU A 27 -3.283 -8.289 1.899 1.00 0.00 O ATOM 0 H GLU A 27 -3.617 -4.532 0.091 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.721 -5.207 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.099 -4.878 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.455 -5.335 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.284 -6.938 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.745 -7.418 0.728 1.00 0.00 H new ATOM 438 N LEU A 28 -2.831 -2.374 1.412 1.00 0.00 N ATOM 439 CA LEU A 28 -2.592 -0.935 1.627 1.00 0.00 C ATOM 440 C LEU A 28 -3.614 -0.493 2.677 1.00 0.00 C ATOM 441 O LEU A 28 -3.403 0.419 3.449 1.00 0.00 O ATOM 442 CB LEU A 28 -2.772 -0.222 0.282 1.00 0.00 C ATOM 443 CG LEU A 28 -3.504 1.099 0.463 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.655 2.047 1.313 1.00 0.00 C ATOM 445 CD2 LEU A 28 -3.758 1.731 -0.907 1.00 0.00 C ATOM 0 H LEU A 28 -3.487 -2.599 0.664 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.589 -0.700 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.798 -0.043 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.331 -0.861 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.455 0.920 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.182 2.992 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.475 1.597 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.702 2.227 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.283 2.678 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.806 1.908 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.366 1.058 -1.511 1.00 0.00 H new ATOM 457 N LYS A 29 -4.705 -1.196 2.723 1.00 0.00 N ATOM 458 CA LYS A 29 -5.751 -0.959 3.696 1.00 0.00 C ATOM 459 C LYS A 29 -5.196 -1.233 5.097 1.00 0.00 C ATOM 460 O LYS A 29 -5.355 -0.442 6.002 1.00 0.00 O ATOM 461 CB LYS A 29 -6.826 -1.954 3.368 1.00 0.00 C ATOM 462 CG LYS A 29 -7.841 -1.867 4.457 1.00 0.00 C ATOM 463 CD LYS A 29 -9.164 -2.428 3.971 1.00 0.00 C ATOM 464 CE LYS A 29 -10.074 -2.726 5.185 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.197 -3.606 4.756 1.00 0.00 N ATOM 0 H LYS A 29 -4.905 -1.963 2.081 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.126 0.064 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.277 -1.731 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.414 -2.961 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.499 -2.422 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.967 -0.830 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.650 -1.716 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.996 -3.339 3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.499 -3.210 5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.464 -1.796 5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.811 -3.808 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.750 -3.128 4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.815 -4.498 4.381 1.00 0.00 H new ATOM 479 N LEU A 30 -4.533 -2.351 5.278 1.00 0.00 N ATOM 480 CA LEU A 30 -3.959 -2.666 6.618 1.00 0.00 C ATOM 481 C LEU A 30 -3.030 -1.528 7.023 1.00 0.00 C ATOM 482 O LEU A 30 -2.849 -1.237 8.187 1.00 0.00 O ATOM 483 CB LEU A 30 -3.173 -3.976 6.544 1.00 0.00 C ATOM 484 CG LEU A 30 -4.136 -5.152 6.710 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.810 -5.073 8.081 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.201 -5.093 5.615 1.00 0.00 C ATOM 0 H LEU A 30 -4.367 -3.054 4.557 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.756 -2.776 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.653 -4.048 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.412 -4.001 7.324 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.583 -6.088 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.496 -5.912 8.198 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.051 -5.113 8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.364 -4.138 8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.889 -5.930 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.753 -4.156 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.722 -5.150 4.638 1.00 0.00 H new ATOM 498 N LEU A 31 -2.467 -0.865 6.056 1.00 0.00 N ATOM 499 CA LEU A 31 -1.574 0.284 6.344 1.00 0.00 C ATOM 500 C LEU A 31 -2.415 1.341 7.036 1.00 0.00 C ATOM 501 O LEU A 31 -2.094 1.820 8.100 1.00 0.00 O ATOM 502 CB LEU A 31 -1.057 0.850 5.028 1.00 0.00 C ATOM 503 CG LEU A 31 0.456 0.677 4.931 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.834 0.433 3.469 1.00 0.00 C ATOM 505 CD2 LEU A 31 1.146 1.948 5.430 1.00 0.00 C ATOM 0 H LEU A 31 -2.590 -1.074 5.065 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.731 -0.019 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.541 0.345 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.314 1.907 4.954 1.00 0.00 H new ATOM 0 HG LEU A 31 0.772 -0.169 5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.914 0.308 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.337 -0.468 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.521 1.285 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.227 1.826 5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.837 2.795 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.867 2.130 6.468 1.00 0.00 H new ATOM 517 N LEU A 32 -3.516 1.680 6.435 1.00 0.00 N ATOM 518 CA LEU A 32 -4.421 2.675 7.051 1.00 0.00 C ATOM 519 C LEU A 32 -4.673 2.259 8.480 1.00 0.00 C ATOM 520 O LEU A 32 -4.460 2.976 9.418 1.00 0.00 O ATOM 521 CB LEU A 32 -5.759 2.656 6.348 1.00 0.00 C ATOM 522 CG LEU A 32 -5.570 2.512 4.851 1.00 0.00 C ATOM 523 CD1 LEU A 32 -6.842 2.976 4.190 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.408 3.382 4.387 1.00 0.00 C ATOM 0 H LEU A 32 -3.828 1.307 5.538 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.968 3.664 6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.363 1.831 6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.304 3.575 6.565 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.351 1.476 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.743 2.887 3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.675 2.360 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.030 4.017 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.279 3.273 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.618 4.425 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.495 3.071 4.895 1.00 0.00 H new ATOM 536 N GLN A 33 -5.165 1.085 8.628 1.00 0.00 N ATOM 537 CA GLN A 33 -5.495 0.584 9.996 1.00 0.00 C ATOM 538 C GLN A 33 -4.264 0.579 10.911 1.00 0.00 C ATOM 539 O GLN A 33 -4.393 0.646 12.117 1.00 0.00 O ATOM 540 CB GLN A 33 -6.059 -0.837 9.907 1.00 0.00 C ATOM 541 CG GLN A 33 -7.224 -0.874 8.916 1.00 0.00 C ATOM 542 CD GLN A 33 -8.340 -1.757 9.476 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.248 -1.271 10.123 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.312 -3.043 9.254 1.00 0.00 N ATOM 0 H GLN A 33 -5.360 0.434 7.867 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.237 1.259 10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.278 -1.528 9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.396 -1.166 10.890 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.598 0.135 8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.886 -1.262 7.955 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.550 -3.450 8.711 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.052 -3.640 9.623 1.00 0.00 H new ATOM 553 N THR A 34 -3.076 0.494 10.377 1.00 0.00 N ATOM 554 CA THR A 34 -1.880 0.482 11.273 1.00 0.00 C ATOM 555 C THR A 34 -1.381 1.913 11.486 1.00 0.00 C ATOM 556 O THR A 34 -0.602 2.183 12.377 1.00 0.00 O ATOM 557 CB THR A 34 -0.771 -0.391 10.662 1.00 0.00 C ATOM 558 OG1 THR A 34 0.098 -0.832 11.695 1.00 0.00 O ATOM 559 CG2 THR A 34 0.034 0.401 9.626 1.00 0.00 C ATOM 0 H THR A 34 -2.881 0.433 9.378 1.00 0.00 H new ATOM 0 HA THR A 34 -2.158 0.059 12.239 1.00 0.00 H new ATOM 0 HB THR A 34 -1.231 -1.246 10.166 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.786 -1.417 11.316 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.813 -0.236 9.206 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.629 0.736 8.829 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.492 1.267 10.105 1.00 0.00 H new ATOM 567 N GLU A 35 -1.833 2.832 10.680 1.00 0.00 N ATOM 568 CA GLU A 35 -1.394 4.247 10.839 1.00 0.00 C ATOM 569 C GLU A 35 -2.623 5.166 10.782 1.00 0.00 C ATOM 570 O GLU A 35 -2.867 5.946 11.681 1.00 0.00 O ATOM 571 CB GLU A 35 -0.401 4.606 9.726 1.00 0.00 C ATOM 572 CG GLU A 35 0.801 3.660 9.794 1.00 0.00 C ATOM 573 CD GLU A 35 2.086 4.451 9.548 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.291 5.438 10.235 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.843 4.058 8.677 1.00 0.00 O ATOM 0 H GLU A 35 -2.489 2.665 9.917 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.898 4.377 11.801 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.885 4.528 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.072 5.639 9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.841 3.175 10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.699 2.871 9.049 1.00 0.00 H new ATOM 582 N PHE A 36 -3.412 5.070 9.741 1.00 0.00 N ATOM 583 CA PHE A 36 -4.629 5.921 9.640 1.00 0.00 C ATOM 584 C PHE A 36 -5.724 5.159 8.876 1.00 0.00 C ATOM 585 O PHE A 36 -5.900 5.371 7.692 1.00 0.00 O ATOM 586 CB PHE A 36 -4.307 7.210 8.872 1.00 0.00 C ATOM 587 CG PHE A 36 -2.816 7.459 8.850 1.00 0.00 C ATOM 588 CD1 PHE A 36 -2.210 8.204 9.869 1.00 0.00 C ATOM 589 CD2 PHE A 36 -2.041 6.946 7.803 1.00 0.00 C ATOM 590 CE1 PHE A 36 -0.829 8.437 9.840 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.662 7.177 7.774 1.00 0.00 C ATOM 592 CZ PHE A 36 -0.054 7.922 8.792 1.00 0.00 C ATOM 0 H PHE A 36 -3.262 4.436 8.956 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.970 6.167 10.646 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.684 7.135 7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.815 8.054 9.338 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.807 8.599 10.677 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.508 6.371 7.017 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.362 9.013 10.625 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.065 6.780 6.966 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.011 8.100 8.770 1.00 0.00 H new ATOM 602 N PRO A 37 -6.436 4.303 9.572 1.00 0.00 N ATOM 603 CA PRO A 37 -7.526 3.514 8.967 1.00 0.00 C ATOM 604 C PRO A 37 -8.616 4.428 8.398 1.00 0.00 C ATOM 605 O PRO A 37 -9.535 3.971 7.747 1.00 0.00 O ATOM 606 CB PRO A 37 -8.097 2.680 10.123 1.00 0.00 C ATOM 607 CG PRO A 37 -7.325 3.065 11.408 1.00 0.00 C ATOM 608 CD PRO A 37 -6.213 4.043 11.006 1.00 0.00 C ATOM 0 HA PRO A 37 -7.167 2.900 8.141 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.163 2.874 10.245 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.989 1.615 9.916 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.995 3.525 12.134 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.903 2.178 11.881 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.267 4.963 11.587 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.227 3.613 11.181 1.00 0.00 H new ATOM 616 N SER A 38 -8.545 5.709 8.650 1.00 0.00 N ATOM 617 CA SER A 38 -9.607 6.613 8.131 1.00 0.00 C ATOM 618 C SER A 38 -9.445 6.840 6.631 1.00 0.00 C ATOM 619 O SER A 38 -10.229 7.533 6.016 1.00 0.00 O ATOM 620 CB SER A 38 -9.551 7.957 8.860 1.00 0.00 C ATOM 621 OG SER A 38 -8.234 8.484 8.774 1.00 0.00 O ATOM 0 H SER A 38 -7.805 6.162 9.187 1.00 0.00 H new ATOM 0 HA SER A 38 -10.573 6.140 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.263 8.654 8.418 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.836 7.829 9.904 1.00 0.00 H new ATOM 0 HG SER A 38 -8.196 9.346 9.239 1.00 0.00 H new ATOM 627 N LEU A 39 -8.453 6.258 6.028 1.00 0.00 N ATOM 628 CA LEU A 39 -8.280 6.449 4.565 1.00 0.00 C ATOM 629 C LEU A 39 -9.234 5.511 3.818 1.00 0.00 C ATOM 630 O LEU A 39 -9.233 5.443 2.607 1.00 0.00 O ATOM 631 CB LEU A 39 -6.833 6.145 4.181 1.00 0.00 C ATOM 632 CG LEU A 39 -5.935 7.288 4.660 1.00 0.00 C ATOM 633 CD1 LEU A 39 -4.511 6.768 4.871 1.00 0.00 C ATOM 634 CD2 LEU A 39 -5.924 8.402 3.611 1.00 0.00 C ATOM 0 H LEU A 39 -7.759 5.662 6.479 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.508 7.480 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.515 5.204 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.748 6.028 3.101 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.319 7.680 5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.873 7.583 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.520 5.976 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.125 6.374 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.285 9.216 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.542 8.010 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.938 8.774 3.465 1.00 0.00 H new ATOM 646 N LEU A 40 -10.055 4.789 4.535 1.00 0.00 N ATOM 647 CA LEU A 40 -11.010 3.857 3.870 1.00 0.00 C ATOM 648 C LEU A 40 -12.392 4.504 3.797 1.00 0.00 C ATOM 649 O LEU A 40 -13.124 4.333 2.842 1.00 0.00 O ATOM 650 CB LEU A 40 -11.117 2.568 4.687 1.00 0.00 C ATOM 651 CG LEU A 40 -9.759 1.869 4.731 1.00 0.00 C ATOM 652 CD1 LEU A 40 -9.763 0.805 5.829 1.00 0.00 C ATOM 653 CD2 LEU A 40 -9.492 1.210 3.375 1.00 0.00 C ATOM 0 H LEU A 40 -10.105 4.805 5.554 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.650 3.635 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.453 2.795 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.862 1.907 4.245 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.977 2.598 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.793 0.308 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.958 1.277 6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.541 0.070 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.524 0.709 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.274 0.480 3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.488 1.971 2.595 1.00 0.00 H new ATOM 767 N GLU A 48 -6.829 7.038 -4.538 1.00 0.00 N ATOM 768 CA GLU A 48 -6.373 6.797 -5.935 1.00 0.00 C ATOM 769 C GLU A 48 -4.901 6.410 -5.948 1.00 0.00 C ATOM 770 O GLU A 48 -4.192 6.639 -6.906 1.00 0.00 O ATOM 771 CB GLU A 48 -6.500 8.087 -6.688 1.00 0.00 C ATOM 772 CG GLU A 48 -7.671 8.007 -7.662 1.00 0.00 C ATOM 773 CD GLU A 48 -7.236 8.527 -9.033 1.00 0.00 C ATOM 774 OE1 GLU A 48 -6.416 9.431 -9.069 1.00 0.00 O ATOM 775 OE2 GLU A 48 -7.729 8.013 -10.023 1.00 0.00 O ATOM 0 HA GLU A 48 -6.971 6.000 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.651 8.911 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.578 8.293 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.017 6.977 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.509 8.595 -7.288 1.00 0.00 H new ATOM 782 N LEU A 49 -4.443 5.840 -4.896 1.00 0.00 N ATOM 783 CA LEU A 49 -3.012 5.433 -4.822 1.00 0.00 C ATOM 784 C LEU A 49 -2.836 4.144 -5.612 1.00 0.00 C ATOM 785 O LEU A 49 -1.741 3.750 -5.959 1.00 0.00 O ATOM 786 CB LEU A 49 -2.624 5.195 -3.361 1.00 0.00 C ATOM 787 CG LEU A 49 -1.384 6.020 -3.020 1.00 0.00 C ATOM 788 CD1 LEU A 49 -1.648 7.494 -3.336 1.00 0.00 C ATOM 789 CD2 LEU A 49 -1.070 5.866 -1.531 1.00 0.00 C ATOM 0 H LEU A 49 -4.995 5.629 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.377 6.216 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.449 5.472 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.426 4.136 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.538 5.670 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.763 8.082 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.876 7.604 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.493 7.847 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.186 6.453 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.917 6.219 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.884 4.816 -1.305 1.00 0.00 H new ATOM 801 N PHE A 50 -3.922 3.486 -5.893 1.00 0.00 N ATOM 802 CA PHE A 50 -3.867 2.219 -6.655 1.00 0.00 C ATOM 803 C PHE A 50 -3.746 2.521 -8.149 1.00 0.00 C ATOM 804 O PHE A 50 -2.941 1.939 -8.849 1.00 0.00 O ATOM 805 CB PHE A 50 -5.155 1.451 -6.383 1.00 0.00 C ATOM 806 CG PHE A 50 -5.110 0.119 -7.092 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.014 -0.734 -6.914 1.00 0.00 C ATOM 808 CD2 PHE A 50 -6.163 -0.262 -7.934 1.00 0.00 C ATOM 809 CE1 PHE A 50 -3.970 -1.965 -7.578 1.00 0.00 C ATOM 810 CE2 PHE A 50 -6.119 -1.493 -8.596 1.00 0.00 C ATOM 811 CZ PHE A 50 -5.023 -2.345 -8.419 1.00 0.00 C ATOM 0 H PHE A 50 -4.860 3.780 -5.621 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.004 1.628 -6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.280 1.300 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.014 2.028 -6.726 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.202 -0.442 -6.264 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.009 0.395 -8.072 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.124 -2.622 -7.442 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.931 -1.786 -9.244 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.989 -3.295 -8.931 1.00 0.00 H new ATOM 821 N GLU A 51 -4.547 3.426 -8.642 1.00 0.00 N ATOM 822 CA GLU A 51 -4.488 3.770 -10.090 1.00 0.00 C ATOM 823 C GLU A 51 -3.305 4.706 -10.347 1.00 0.00 C ATOM 824 O GLU A 51 -2.547 4.523 -11.278 1.00 0.00 O ATOM 825 CB GLU A 51 -5.785 4.470 -10.496 1.00 0.00 C ATOM 826 CG GLU A 51 -6.337 3.829 -11.769 1.00 0.00 C ATOM 827 CD GLU A 51 -7.769 4.318 -12.005 1.00 0.00 C ATOM 828 OE1 GLU A 51 -7.922 5.414 -12.517 1.00 0.00 O ATOM 829 OE2 GLU A 51 -8.685 3.587 -11.669 1.00 0.00 O ATOM 0 H GLU A 51 -5.241 3.943 -8.102 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.363 2.859 -10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.517 4.395 -9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.601 5.531 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.708 4.086 -12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.322 2.743 -11.678 1.00 0.00 H new ATOM 836 N GLU A 52 -3.141 5.706 -9.526 1.00 0.00 N ATOM 837 CA GLU A 52 -2.007 6.653 -9.724 1.00 0.00 C ATOM 838 C GLU A 52 -0.698 5.865 -9.786 1.00 0.00 C ATOM 839 O GLU A 52 0.196 6.185 -10.544 1.00 0.00 O ATOM 840 CB GLU A 52 -1.956 7.642 -8.558 1.00 0.00 C ATOM 841 CG GLU A 52 -1.059 8.823 -8.930 1.00 0.00 C ATOM 842 CD GLU A 52 -0.960 9.785 -7.745 1.00 0.00 C ATOM 843 OE1 GLU A 52 -1.756 9.651 -6.831 1.00 0.00 O ATOM 844 OE2 GLU A 52 -0.090 10.640 -7.772 1.00 0.00 O ATOM 0 H GLU A 52 -3.742 5.909 -8.727 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.147 7.202 -10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.960 7.994 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.573 7.148 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.067 8.466 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.464 9.341 -9.799 1.00 0.00 H new ATOM 851 N LEU A 53 -0.580 4.832 -8.997 1.00 0.00 N ATOM 852 CA LEU A 53 0.669 4.019 -9.015 1.00 0.00 C ATOM 853 C LEU A 53 0.606 3.036 -10.186 1.00 0.00 C ATOM 854 O LEU A 53 1.078 3.318 -11.268 1.00 0.00 O ATOM 855 CB LEU A 53 0.790 3.249 -7.698 1.00 0.00 C ATOM 856 CG LEU A 53 0.951 4.239 -6.542 1.00 0.00 C ATOM 857 CD1 LEU A 53 1.231 3.473 -5.248 1.00 0.00 C ATOM 858 CD2 LEU A 53 2.117 5.186 -6.837 1.00 0.00 C ATOM 0 H LEU A 53 -1.294 4.516 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 53 1.536 4.669 -9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.095 2.632 -7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.646 2.575 -7.736 1.00 0.00 H new ATOM 0 HG LEU A 53 0.034 4.817 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.346 4.179 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.400 2.800 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.147 2.893 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.231 5.891 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.035 4.609 -6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.917 5.734 -7.758 1.00 0.00 H new ATOM 870 N ASP A 54 0.013 1.892 -9.986 1.00 0.00 N ATOM 871 CA ASP A 54 -0.093 0.907 -11.098 1.00 0.00 C ATOM 872 C ASP A 54 -1.485 1.020 -11.721 1.00 0.00 C ATOM 873 O ASP A 54 -2.427 1.436 -11.077 1.00 0.00 O ATOM 874 CB ASP A 54 0.120 -0.509 -10.561 1.00 0.00 C ATOM 875 CG ASP A 54 0.727 -1.382 -11.661 1.00 0.00 C ATOM 876 OD1 ASP A 54 1.352 -0.829 -12.551 1.00 0.00 O ATOM 877 OD2 ASP A 54 0.559 -2.588 -11.594 1.00 0.00 O ATOM 0 H ASP A 54 -0.402 1.597 -9.102 1.00 0.00 H new ATOM 0 HA ASP A 54 0.669 1.115 -11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.780 -0.486 -9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.829 -0.931 -10.228 1.00 0.00 H new ATOM 882 N LYS A 55 -1.626 0.664 -12.966 1.00 0.00 N ATOM 883 CA LYS A 55 -2.965 0.767 -13.616 1.00 0.00 C ATOM 884 C LYS A 55 -3.061 -0.249 -14.754 1.00 0.00 C ATOM 885 O LYS A 55 -3.117 0.106 -15.915 1.00 0.00 O ATOM 886 CB LYS A 55 -3.175 2.186 -14.171 1.00 0.00 C ATOM 887 CG LYS A 55 -1.826 2.898 -14.343 1.00 0.00 C ATOM 888 CD LYS A 55 -2.056 4.398 -14.553 1.00 0.00 C ATOM 889 CE LYS A 55 -3.181 4.618 -15.592 1.00 0.00 C ATOM 890 NZ LYS A 55 -3.252 6.066 -15.933 1.00 0.00 N ATOM 0 H LYS A 55 -0.878 0.308 -13.561 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.737 0.558 -12.875 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.692 2.136 -15.129 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.811 2.757 -13.495 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.204 2.736 -13.463 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.289 2.480 -15.195 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.325 4.869 -13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.136 4.872 -14.895 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.985 4.030 -16.488 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.136 4.279 -15.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.007 6.222 -16.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.457 6.615 -15.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.342 6.374 -16.332 1.00 0.00 H new ATOM 904 N ASN A 56 -3.081 -1.513 -14.429 1.00 0.00 N ATOM 905 CA ASN A 56 -3.176 -2.557 -15.488 1.00 0.00 C ATOM 906 C ASN A 56 -4.250 -3.577 -15.098 1.00 0.00 C ATOM 907 O ASN A 56 -4.929 -4.131 -15.939 1.00 0.00 O ATOM 908 CB ASN A 56 -1.823 -3.263 -15.629 1.00 0.00 C ATOM 909 CG ASN A 56 -1.997 -4.572 -16.401 1.00 0.00 C ATOM 910 OD1 ASN A 56 -1.847 -4.609 -17.607 1.00 0.00 O ATOM 911 ND2 ASN A 56 -2.310 -5.657 -15.749 1.00 0.00 N ATOM 0 H ASN A 56 -3.036 -1.868 -13.474 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.443 -2.094 -16.438 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.117 -2.615 -16.149 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.404 -3.465 -14.643 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.429 -6.537 -16.251 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.436 -5.626 -14.737 1.00 0.00 H new ATOM 918 N GLY A 57 -4.406 -3.829 -13.827 1.00 0.00 N ATOM 919 CA GLY A 57 -5.430 -4.812 -13.379 1.00 0.00 C ATOM 920 C GLY A 57 -4.743 -6.119 -12.987 1.00 0.00 C ATOM 921 O GLY A 57 -5.096 -7.185 -13.453 1.00 0.00 O ATOM 0 H GLY A 57 -3.866 -3.395 -13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.987 -4.413 -12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.150 -4.992 -14.177 1.00 0.00 H new ATOM 925 N ASP A 58 -3.768 -6.043 -12.126 1.00 0.00 N ATOM 926 CA ASP A 58 -3.054 -7.271 -11.688 1.00 0.00 C ATOM 927 C ASP A 58 -3.347 -7.503 -10.207 1.00 0.00 C ATOM 928 O ASP A 58 -3.034 -8.541 -9.655 1.00 0.00 O ATOM 929 CB ASP A 58 -1.544 -7.096 -11.891 1.00 0.00 C ATOM 930 CG ASP A 58 -1.186 -5.608 -11.888 1.00 0.00 C ATOM 931 OD1 ASP A 58 -1.515 -4.936 -12.850 1.00 0.00 O ATOM 932 OD2 ASP A 58 -0.587 -5.165 -10.923 1.00 0.00 O ATOM 0 H ASP A 58 -3.434 -5.176 -11.705 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.392 -8.125 -12.275 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.000 -7.611 -11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.240 -7.550 -12.834 1.00 0.00 H new ATOM 937 N GLY A 59 -3.955 -6.546 -9.560 1.00 0.00 N ATOM 938 CA GLY A 59 -4.277 -6.713 -8.121 1.00 0.00 C ATOM 939 C GLY A 59 -2.993 -6.679 -7.289 1.00 0.00 C ATOM 940 O GLY A 59 -2.968 -7.114 -6.155 1.00 0.00 O ATOM 0 H GLY A 59 -4.241 -5.657 -9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.951 -5.920 -7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.797 -7.658 -7.964 1.00 0.00 H new ATOM 944 N GLU A 60 -1.928 -6.163 -7.837 1.00 0.00 N ATOM 945 CA GLU A 60 -0.653 -6.103 -7.066 1.00 0.00 C ATOM 946 C GLU A 60 0.238 -5.001 -7.628 1.00 0.00 C ATOM 947 O GLU A 60 0.197 -4.683 -8.798 1.00 0.00 O ATOM 948 CB GLU A 60 0.079 -7.440 -7.168 1.00 0.00 C ATOM 949 CG GLU A 60 1.499 -7.290 -6.616 1.00 0.00 C ATOM 950 CD GLU A 60 2.284 -8.578 -6.868 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.099 -9.520 -6.113 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.060 -8.601 -7.809 1.00 0.00 O ATOM 0 H GLU A 60 -1.884 -5.781 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.882 -5.892 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.460 -8.205 -6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.114 -7.769 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.999 -6.448 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.464 -7.076 -5.548 1.00 0.00 H new ATOM 959 N VAL A 61 1.056 -4.428 -6.800 1.00 0.00 N ATOM 960 CA VAL A 61 1.967 -3.359 -7.271 1.00 0.00 C ATOM 961 C VAL A 61 3.391 -3.741 -6.865 1.00 0.00 C ATOM 962 O VAL A 61 3.691 -4.897 -6.647 1.00 0.00 O ATOM 963 CB VAL A 61 1.552 -2.021 -6.632 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.189 -1.862 -5.245 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.993 -0.864 -7.533 1.00 0.00 C ATOM 0 H VAL A 61 1.133 -4.656 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 61 1.916 -3.248 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 61 0.468 -2.010 -6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.883 -0.910 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.862 -2.677 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.275 -1.886 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.699 0.083 -7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.076 -0.888 -7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.518 -0.962 -8.509 1.00 0.00 H new ATOM 975 N SER A 62 4.265 -2.792 -6.750 1.00 0.00 N ATOM 976 CA SER A 62 5.658 -3.109 -6.343 1.00 0.00 C ATOM 977 C SER A 62 6.134 -2.000 -5.400 1.00 0.00 C ATOM 978 O SER A 62 5.452 -1.011 -5.221 1.00 0.00 O ATOM 979 CB SER A 62 6.546 -3.166 -7.592 1.00 0.00 C ATOM 980 OG SER A 62 6.574 -1.882 -8.213 1.00 0.00 O ATOM 0 H SER A 62 4.077 -1.804 -6.921 1.00 0.00 H new ATOM 0 HA SER A 62 5.709 -4.073 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.556 -3.473 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.164 -3.911 -8.290 1.00 0.00 H new ATOM 0 HG SER A 62 7.143 -1.917 -9.010 1.00 0.00 H new ATOM 986 N PHE A 63 7.286 -2.128 -4.797 1.00 0.00 N ATOM 987 CA PHE A 63 7.738 -1.039 -3.888 1.00 0.00 C ATOM 988 C PHE A 63 8.022 0.209 -4.727 1.00 0.00 C ATOM 989 O PHE A 63 7.775 1.316 -4.316 1.00 0.00 O ATOM 990 CB PHE A 63 8.999 -1.422 -3.156 1.00 0.00 C ATOM 991 CG PHE A 63 9.024 -0.695 -1.823 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.900 0.690 -1.736 1.00 0.00 C ATOM 993 CD2 PHE A 63 9.183 -1.431 -0.681 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.945 1.327 -0.486 1.00 0.00 C ATOM 995 CE2 PHE A 63 9.229 -0.819 0.579 1.00 0.00 C ATOM 996 CZ PHE A 63 9.112 0.568 0.678 1.00 0.00 C ATOM 0 H PHE A 63 7.920 -2.921 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 63 6.954 -0.853 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.033 -2.500 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.875 -1.158 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.769 1.276 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 63 9.275 -2.505 -0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.851 2.401 -0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.354 -1.418 1.469 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.150 1.051 1.643 1.00 0.00 H new ATOM 1006 N GLU A 64 8.558 0.029 -5.909 1.00 0.00 N ATOM 1007 CA GLU A 64 8.873 1.209 -6.779 1.00 0.00 C ATOM 1008 C GLU A 64 7.735 2.227 -6.682 1.00 0.00 C ATOM 1009 O GLU A 64 7.951 3.423 -6.725 1.00 0.00 O ATOM 1010 CB GLU A 64 9.042 0.780 -8.244 1.00 0.00 C ATOM 1011 CG GLU A 64 10.516 0.880 -8.639 1.00 0.00 C ATOM 1012 CD GLU A 64 10.960 -0.431 -9.289 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.097 -1.230 -9.613 1.00 0.00 O ATOM 1014 OE2 GLU A 64 12.155 -0.613 -9.454 1.00 0.00 O ATOM 0 H GLU A 64 8.791 -0.880 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 64 9.807 1.653 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.687 -0.242 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.437 1.415 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.663 1.709 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.126 1.087 -7.760 1.00 0.00 H new ATOM 1021 N GLU A 65 6.529 1.760 -6.525 1.00 0.00 N ATOM 1022 CA GLU A 65 5.377 2.694 -6.393 1.00 0.00 C ATOM 1023 C GLU A 65 5.194 2.967 -4.906 1.00 0.00 C ATOM 1024 O GLU A 65 4.836 4.049 -4.485 1.00 0.00 O ATOM 1025 CB GLU A 65 4.118 2.041 -6.964 1.00 0.00 C ATOM 1026 CG GLU A 65 4.436 1.430 -8.331 1.00 0.00 C ATOM 1027 CD GLU A 65 4.445 2.530 -9.395 1.00 0.00 C ATOM 1028 OE1 GLU A 65 3.494 3.292 -9.440 1.00 0.00 O ATOM 1029 OE2 GLU A 65 5.404 2.590 -10.147 1.00 0.00 O ATOM 0 H GLU A 65 6.290 0.769 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 65 5.557 3.621 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.755 1.270 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.323 2.781 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.405 0.931 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.694 0.672 -8.583 1.00 0.00 H new ATOM 1036 N PHE A 66 5.470 1.971 -4.119 1.00 0.00 N ATOM 1037 CA PHE A 66 5.364 2.100 -2.643 1.00 0.00 C ATOM 1038 C PHE A 66 6.420 3.103 -2.138 1.00 0.00 C ATOM 1039 O PHE A 66 6.425 3.484 -0.985 1.00 0.00 O ATOM 1040 CB PHE A 66 5.590 0.714 -2.015 1.00 0.00 C ATOM 1041 CG PHE A 66 5.025 0.696 -0.621 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.655 0.500 -0.428 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.865 0.902 0.471 1.00 0.00 C ATOM 1044 CE1 PHE A 66 3.121 0.516 0.864 1.00 0.00 C ATOM 1045 CE2 PHE A 66 5.335 0.912 1.764 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.962 0.723 1.960 1.00 0.00 C ATOM 0 H PHE A 66 5.771 1.052 -4.444 1.00 0.00 H new ATOM 0 HA PHE A 66 4.377 2.468 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.112 -0.054 -2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.655 0.484 -1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.008 0.336 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.923 1.054 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.062 0.369 1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.985 1.066 2.613 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.553 0.737 2.959 1.00 0.00 H new ATOM 1056 N GLN A 67 7.298 3.552 -3.005 1.00 0.00 N ATOM 1057 CA GLN A 67 8.335 4.550 -2.594 1.00 0.00 C ATOM 1058 C GLN A 67 7.706 5.922 -2.585 1.00 0.00 C ATOM 1059 O GLN A 67 7.726 6.626 -1.601 1.00 0.00 O ATOM 1060 CB GLN A 67 9.492 4.572 -3.601 1.00 0.00 C ATOM 1061 CG GLN A 67 10.230 3.246 -3.566 1.00 0.00 C ATOM 1062 CD GLN A 67 10.936 3.102 -2.210 1.00 0.00 C ATOM 1063 OE1 GLN A 67 11.270 4.089 -1.587 1.00 0.00 O ATOM 1064 NE2 GLN A 67 11.181 1.916 -1.719 1.00 0.00 N ATOM 0 H GLN A 67 7.340 3.268 -3.984 1.00 0.00 H new ATOM 0 HA GLN A 67 8.713 4.277 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.109 4.759 -4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.177 5.386 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.532 2.423 -3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.958 3.199 -4.376 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.903 1.082 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.650 1.824 -0.818 1.00 0.00 H new ATOM 1073 N VAL A 68 7.162 6.298 -3.695 1.00 0.00 N ATOM 1074 CA VAL A 68 6.517 7.636 -3.803 1.00 0.00 C ATOM 1075 C VAL A 68 5.753 7.940 -2.514 1.00 0.00 C ATOM 1076 O VAL A 68 5.979 8.943 -1.866 1.00 0.00 O ATOM 1077 CB VAL A 68 5.549 7.641 -4.983 1.00 0.00 C ATOM 1078 CG1 VAL A 68 5.310 9.083 -5.423 1.00 0.00 C ATOM 1079 CG2 VAL A 68 6.153 6.843 -6.141 1.00 0.00 C ATOM 0 H VAL A 68 7.132 5.735 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 68 7.282 8.396 -3.959 1.00 0.00 H new ATOM 0 HB VAL A 68 4.603 7.186 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.619 9.096 -6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.884 9.650 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.256 9.534 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.462 6.846 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.096 7.298 -6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.331 5.816 -5.821 1.00 0.00 H new ATOM 1089 N LEU A 69 4.861 7.071 -2.129 1.00 0.00 N ATOM 1090 CA LEU A 69 4.092 7.294 -0.872 1.00 0.00 C ATOM 1091 C LEU A 69 5.069 7.517 0.267 1.00 0.00 C ATOM 1092 O LEU A 69 4.874 8.352 1.126 1.00 0.00 O ATOM 1093 CB LEU A 69 3.311 6.031 -0.527 1.00 0.00 C ATOM 1094 CG LEU A 69 1.923 6.369 0.043 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.531 5.283 1.043 1.00 0.00 C ATOM 1096 CD2 LEU A 69 1.945 7.720 0.769 1.00 0.00 C ATOM 0 H LEU A 69 4.630 6.214 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 69 3.427 8.147 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.200 5.415 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.871 5.442 0.199 1.00 0.00 H new ATOM 0 HG LEU A 69 1.208 6.423 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.548 5.507 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.500 4.317 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.265 5.248 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.952 7.937 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.661 7.680 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.237 8.504 0.070 1.00 0.00 H new ATOM 1108 N VAL A 70 6.092 6.717 0.299 1.00 0.00 N ATOM 1109 CA VAL A 70 7.085 6.816 1.397 1.00 0.00 C ATOM 1110 C VAL A 70 7.616 8.260 1.477 1.00 0.00 C ATOM 1111 O VAL A 70 7.566 8.894 2.513 1.00 0.00 O ATOM 1112 CB VAL A 70 8.233 5.799 1.161 1.00 0.00 C ATOM 1113 CG1 VAL A 70 9.610 6.455 1.325 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.102 4.662 2.176 1.00 0.00 C ATOM 0 H VAL A 70 6.284 5.993 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 70 6.614 6.572 2.349 1.00 0.00 H new ATOM 0 HB VAL A 70 8.153 5.423 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.389 5.713 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.715 7.266 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.705 6.853 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.904 3.941 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.169 5.066 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.139 4.168 2.046 1.00 0.00 H new ATOM 1124 N LYS A 71 8.120 8.781 0.388 1.00 0.00 N ATOM 1125 CA LYS A 71 8.652 10.176 0.394 1.00 0.00 C ATOM 1126 C LYS A 71 7.490 11.170 0.315 1.00 0.00 C ATOM 1127 O LYS A 71 7.689 12.364 0.210 1.00 0.00 O ATOM 1128 CB LYS A 71 9.572 10.378 -0.809 1.00 0.00 C ATOM 1129 CG LYS A 71 8.832 9.986 -2.090 1.00 0.00 C ATOM 1130 CD LYS A 71 9.249 10.922 -3.225 1.00 0.00 C ATOM 1131 CE LYS A 71 10.574 10.442 -3.820 1.00 0.00 C ATOM 1132 NZ LYS A 71 10.431 10.289 -5.296 1.00 0.00 N ATOM 0 H LYS A 71 8.186 8.298 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 71 9.212 10.343 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.891 11.419 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.472 9.774 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.060 8.953 -2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.755 10.044 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.478 10.943 -3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.354 11.941 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.366 11.155 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.863 9.491 -3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.332 9.963 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.687 9.593 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.174 11.205 -5.717 1.00 0.00 H new ATOM 1146 N LYS A 72 6.283 10.688 0.386 1.00 0.00 N ATOM 1147 CA LYS A 72 5.113 11.588 0.339 1.00 0.00 C ATOM 1148 C LYS A 72 4.704 11.900 1.773 1.00 0.00 C ATOM 1149 O LYS A 72 3.737 12.590 2.024 1.00 0.00 O ATOM 1150 CB LYS A 72 3.967 10.882 -0.379 1.00 0.00 C ATOM 1151 CG LYS A 72 3.517 11.731 -1.564 1.00 0.00 C ATOM 1152 CD LYS A 72 4.733 12.135 -2.402 1.00 0.00 C ATOM 1153 CE LYS A 72 4.446 11.867 -3.881 1.00 0.00 C ATOM 1154 NZ LYS A 72 3.913 13.106 -4.518 1.00 0.00 N ATOM 0 H LYS A 72 6.060 9.697 0.476 1.00 0.00 H new ATOM 0 HA LYS A 72 5.354 12.508 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.288 9.899 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.135 10.724 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.811 11.171 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.996 12.620 -1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.958 13.191 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.611 11.573 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.357 11.549 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.725 11.055 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.718 12.923 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.034 13.391 -4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.615 13.869 -4.435 1.00 0.00 H new ATOM 1168 N ILE A 73 5.428 11.365 2.722 1.00 0.00 N ATOM 1169 CA ILE A 73 5.080 11.591 4.145 1.00 0.00 C ATOM 1170 C ILE A 73 6.207 12.246 4.871 1.00 0.00 C ATOM 1171 O ILE A 73 6.032 13.162 5.651 1.00 0.00 O ATOM 1172 CB ILE A 73 4.928 10.265 4.880 1.00 0.00 C ATOM 1173 CG1 ILE A 73 4.701 9.120 3.889 1.00 0.00 C ATOM 1174 CG2 ILE A 73 3.826 10.398 5.893 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.581 8.180 4.352 1.00 0.00 C ATOM 0 H ILE A 73 6.248 10.779 2.566 1.00 0.00 H new ATOM 0 HA ILE A 73 4.168 12.189 4.136 1.00 0.00 H new ATOM 0 HB ILE A 73 5.845 10.017 5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.450 9.530 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.625 8.554 3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.707 9.455 6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.077 11.187 6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.894 10.649 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.451 7.381 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.844 7.749 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.651 8.741 4.446 1.00 0.00 H new ATOM 1187 N SER A 74 7.351 11.673 4.724 1.00 0.00 N ATOM 1188 CA SER A 74 8.474 12.138 5.512 1.00 0.00 C ATOM 1189 C SER A 74 8.526 13.672 5.535 1.00 0.00 C ATOM 1190 O SER A 74 8.166 14.300 6.512 1.00 0.00 O ATOM 1191 CB SER A 74 9.781 11.567 4.964 1.00 0.00 C ATOM 1192 OG SER A 74 9.749 11.599 3.543 1.00 0.00 O ATOM 0 H SER A 74 7.547 10.901 4.087 1.00 0.00 H new ATOM 0 HA SER A 74 8.343 11.787 6.535 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.627 12.146 5.333 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.919 10.544 5.313 1.00 0.00 H new ATOM 0 HG SER A 74 10.587 11.235 3.189 1.00 0.00 H new ATOM 1198 N GLN A 75 8.974 14.279 4.468 1.00 0.00 N ATOM 1199 CA GLN A 75 9.050 15.769 4.428 1.00 0.00 C ATOM 1200 C GLN A 75 9.771 16.281 5.678 1.00 0.00 C ATOM 1201 O GLN A 75 10.990 16.336 5.654 1.00 0.00 O ATOM 1202 CB GLN A 75 7.637 16.355 4.383 1.00 0.00 C ATOM 1203 CG GLN A 75 7.061 16.190 2.974 1.00 0.00 C ATOM 1204 CD GLN A 75 7.738 17.182 2.028 1.00 0.00 C ATOM 1205 OE1 GLN A 75 7.787 18.365 2.302 1.00 0.00 O ATOM 1206 NE2 GLN A 75 8.266 16.748 0.916 1.00 0.00 N ATOM 1207 OXT GLN A 75 9.091 16.614 6.634 1.00 0.00 O ATOM 0 H GLN A 75 9.291 13.807 3.621 1.00 0.00 H new ATOM 0 HA GLN A 75 9.600 16.076 3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.999 15.851 5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.660 17.410 4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.218 15.170 2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.984 16.360 2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.225 15.755 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.719 17.402 0.278 1.00 0.00 H new