USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 21 ASN : amide:sc= 0.844 K(o=2.9,f=1.5) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.09 K(o=2.9,f=1.5) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -125:sc= 0.729 (180deg=0.0489) USER MOD Set 2.2: A 13 TYR OH : rot 148:sc= 0.262 USER MOD Set 2.3: A 34 THR OG1 : rot 72:sc= 1.99 USER MOD Single : A 7 LYS NZ :NH3+ 134:sc= 0.2 (180deg=-0.163) USER MOD Single : A 16 LYS NZ :NH3+ 145:sc= 0.0419 (180deg=-0.0456) USER MOD Single : A 24 SER OG : rot -100:sc= 0.897 USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0644) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc=-0.00761 (180deg=-0.158) USER MOD Single : A 33 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.21) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.352 USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0115) USER MOD Single : A 56 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.16) USER MOD Single : A 62 SER OG : rot -82:sc= 0.209 USER MOD Single : A 67 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.1) 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 USER MOD Single : A 75 GLN : amide:sc= -0.454 K(o=-0.45,f=-1) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -12.675 1.293 -5.452 1.00 0.00 N ATOM 37 CA PRO A 3 -11.384 1.924 -5.198 1.00 0.00 C ATOM 38 C PRO A 3 -11.423 2.838 -3.968 1.00 0.00 C ATOM 39 O PRO A 3 -10.441 2.936 -3.240 1.00 0.00 O ATOM 40 CB PRO A 3 -11.047 2.720 -6.464 1.00 0.00 C ATOM 41 CG PRO A 3 -11.807 1.970 -7.554 1.00 0.00 C ATOM 42 CD PRO A 3 -13.080 1.531 -6.832 1.00 0.00 C ATOM 0 HA PRO A 3 -10.625 1.173 -4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.372 3.758 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.974 2.735 -6.657 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.026 2.610 -8.409 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.240 1.118 -7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.850 2.300 -6.889 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.496 0.629 -7.281 1.00 0.00 H new ATOM 50 N GLU A 4 -12.562 3.498 -3.728 1.00 0.00 N ATOM 51 CA GLU A 4 -12.763 4.373 -2.580 1.00 0.00 C ATOM 52 C GLU A 4 -12.432 3.605 -1.297 1.00 0.00 C ATOM 53 O GLU A 4 -11.785 4.130 -0.397 1.00 0.00 O ATOM 54 CB GLU A 4 -14.209 4.898 -2.597 1.00 0.00 C ATOM 55 CG GLU A 4 -14.462 6.048 -1.606 1.00 0.00 C ATOM 56 CD GLU A 4 -14.469 5.617 -0.139 1.00 0.00 C ATOM 57 OE1 GLU A 4 -15.057 4.550 0.139 1.00 0.00 O ATOM 58 OE2 GLU A 4 -13.891 6.369 0.675 1.00 0.00 O ATOM 0 H GLU A 4 -13.378 3.435 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.098 5.236 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.451 5.238 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.887 4.076 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.695 6.810 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.419 6.513 -1.842 1.00 0.00 H new ATOM 65 N GLU A 5 -12.855 2.343 -1.218 1.00 0.00 N ATOM 66 CA GLU A 5 -12.574 1.503 -0.068 1.00 0.00 C ATOM 67 C GLU A 5 -11.058 1.339 0.089 1.00 0.00 C ATOM 68 O GLU A 5 -10.531 1.422 1.195 1.00 0.00 O ATOM 69 CB GLU A 5 -13.373 0.188 -0.180 1.00 0.00 C ATOM 70 CG GLU A 5 -12.518 -1.075 -0.339 1.00 0.00 C ATOM 71 CD GLU A 5 -13.383 -2.268 -0.708 1.00 0.00 C ATOM 72 OE1 GLU A 5 -13.681 -2.377 -1.916 1.00 0.00 O ATOM 73 OE2 GLU A 5 -13.741 -3.034 0.212 1.00 0.00 O ATOM 0 H GLU A 5 -13.398 1.882 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.911 1.966 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.993 0.080 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.048 0.262 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.764 -0.915 -1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.986 -1.279 0.590 1.00 0.00 H new ATOM 80 N LEU A 6 -10.344 1.134 -1.022 1.00 0.00 N ATOM 81 CA LEU A 6 -8.899 0.957 -1.001 1.00 0.00 C ATOM 82 C LEU A 6 -8.249 2.278 -0.597 1.00 0.00 C ATOM 83 O LEU A 6 -7.237 2.280 0.095 1.00 0.00 O ATOM 84 CB LEU A 6 -8.383 0.397 -2.334 1.00 0.00 C ATOM 85 CG LEU A 6 -8.845 -1.054 -2.583 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.526 -1.461 -4.024 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.182 -2.059 -1.631 1.00 0.00 C ATOM 0 H LEU A 6 -10.754 1.087 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.622 0.209 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.731 1.031 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.294 0.435 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.919 -1.077 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.855 -2.486 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.045 -0.795 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.451 -1.392 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.544 -3.063 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.101 -2.026 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.430 -1.802 -0.601 1.00 0.00 H new ATOM 99 N LYS A 7 -8.832 3.407 -1.000 1.00 0.00 N ATOM 100 CA LYS A 7 -8.373 4.725 -0.595 1.00 0.00 C ATOM 101 C LYS A 7 -8.530 4.868 0.920 1.00 0.00 C ATOM 102 O LYS A 7 -7.609 5.311 1.605 1.00 0.00 O ATOM 103 CB LYS A 7 -9.154 5.794 -1.369 1.00 0.00 C ATOM 104 CG LYS A 7 -8.471 7.164 -1.284 1.00 0.00 C ATOM 105 CD LYS A 7 -9.155 8.155 -2.234 1.00 0.00 C ATOM 106 CE LYS A 7 -8.465 9.524 -2.213 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.082 9.451 -2.720 1.00 0.00 N ATOM 0 H LYS A 7 -9.641 3.427 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.317 4.857 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.243 5.495 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.166 5.866 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.516 7.539 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.416 7.070 -1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.142 7.756 -3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.201 8.270 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.037 10.228 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.458 9.911 -1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.916 10.230 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.416 9.529 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.937 8.542 -3.205 1.00 0.00 H new ATOM 121 N GLY A 8 -9.691 4.472 1.446 1.00 0.00 N ATOM 122 CA GLY A 8 -9.979 4.522 2.868 1.00 0.00 C ATOM 123 C GLY A 8 -8.937 3.696 3.614 1.00 0.00 C ATOM 124 O GLY A 8 -8.308 4.177 4.549 1.00 0.00 O ATOM 0 H GLY A 8 -10.460 4.105 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.964 5.554 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.978 4.133 3.064 1.00 0.00 H new ATOM 128 N ILE A 9 -8.751 2.450 3.181 1.00 0.00 N ATOM 129 CA ILE A 9 -7.787 1.514 3.743 1.00 0.00 C ATOM 130 C ILE A 9 -6.379 2.121 3.701 1.00 0.00 C ATOM 131 O ILE A 9 -5.707 2.187 4.729 1.00 0.00 O ATOM 132 CB ILE A 9 -7.905 0.189 2.974 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.256 -0.496 3.261 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.724 -0.753 3.220 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.281 -1.324 4.550 1.00 0.00 C ATOM 0 H ILE A 9 -9.284 2.055 2.406 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.993 1.311 4.794 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.870 0.436 1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.032 0.267 3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.507 -1.144 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.866 -1.671 2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.800 -0.268 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.664 -0.991 4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.267 -1.771 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.530 -2.112 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.064 -0.679 5.401 1.00 0.00 H new ATOM 147 N PHE A 10 -5.929 2.570 2.526 1.00 0.00 N ATOM 148 CA PHE A 10 -4.633 3.211 2.342 1.00 0.00 C ATOM 149 C PHE A 10 -4.454 4.294 3.402 1.00 0.00 C ATOM 150 O PHE A 10 -3.466 4.288 4.127 1.00 0.00 O ATOM 151 CB PHE A 10 -4.549 3.828 0.936 1.00 0.00 C ATOM 152 CG PHE A 10 -3.374 4.764 0.720 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.461 6.085 1.204 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.115 4.254 0.361 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.321 6.681 1.757 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.963 5.013 0.633 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.061 6.150 1.452 1.00 0.00 C ATOM 0 H PHE A 10 -6.468 2.495 1.663 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.841 2.470 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.493 3.022 0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.471 4.374 0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.392 6.629 1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.033 3.290 -0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.412 7.537 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.010 4.724 0.215 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.168 6.613 1.845 1.00 0.00 H new ATOM 167 N GLU A 11 -5.413 5.223 3.489 1.00 0.00 N ATOM 168 CA GLU A 11 -5.356 6.328 4.432 1.00 0.00 C ATOM 169 C GLU A 11 -5.288 5.798 5.869 1.00 0.00 C ATOM 170 O GLU A 11 -4.462 6.239 6.665 1.00 0.00 O ATOM 171 CB GLU A 11 -6.565 7.254 4.212 1.00 0.00 C ATOM 172 CG GLU A 11 -6.294 8.684 4.707 1.00 0.00 C ATOM 173 CD GLU A 11 -5.362 9.492 3.798 1.00 0.00 C ATOM 174 OE1 GLU A 11 -4.993 8.974 2.719 1.00 0.00 O ATOM 175 OE2 GLU A 11 -5.061 10.641 4.190 1.00 0.00 O ATOM 0 H GLU A 11 -6.248 5.223 2.904 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.451 6.912 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.814 7.279 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.432 6.848 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.243 9.212 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.859 8.636 5.705 1.00 0.00 H new ATOM 182 N LYS A 12 -6.164 4.843 6.194 1.00 0.00 N ATOM 183 CA LYS A 12 -6.239 4.227 7.507 1.00 0.00 C ATOM 184 C LYS A 12 -4.865 3.709 7.913 1.00 0.00 C ATOM 185 O LYS A 12 -4.389 4.042 8.995 1.00 0.00 O ATOM 186 CB LYS A 12 -7.296 3.112 7.527 1.00 0.00 C ATOM 187 CG LYS A 12 -7.596 2.656 8.963 1.00 0.00 C ATOM 188 CD LYS A 12 -8.629 1.520 9.005 1.00 0.00 C ATOM 189 CE LYS A 12 -8.099 0.174 8.486 1.00 0.00 C ATOM 190 NZ LYS A 12 -6.970 -0.324 9.291 1.00 0.00 N ATOM 0 H LYS A 12 -6.850 4.475 5.535 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.549 4.976 8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.213 3.468 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.945 2.264 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.673 2.324 9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.965 3.503 9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.972 1.392 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.497 1.810 8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.904 -0.561 8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.783 0.285 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.156 -0.508 8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.709 0.389 10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.247 -1.205 9.770 1.00 0.00 H new ATOM 204 N TYR A 13 -4.213 2.906 7.066 1.00 0.00 N ATOM 205 CA TYR A 13 -2.894 2.407 7.403 1.00 0.00 C ATOM 206 C TYR A 13 -1.893 3.558 7.428 1.00 0.00 C ATOM 207 O TYR A 13 -1.172 3.696 8.412 1.00 0.00 O ATOM 208 CB TYR A 13 -2.493 1.242 6.502 1.00 0.00 C ATOM 209 CG TYR A 13 -3.081 -0.065 6.991 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.384 -0.412 6.603 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.363 -0.909 7.864 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.974 -1.582 7.093 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.014 -1.997 8.468 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.317 -2.339 8.074 1.00 0.00 C ATOM 215 OH TYR A 13 -4.967 -3.372 8.672 1.00 0.00 O ATOM 0 H TYR A 13 -4.575 2.598 6.163 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.905 1.988 8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.830 1.435 5.484 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.406 1.164 6.469 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.932 0.225 5.925 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.319 -0.720 8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.934 -1.902 6.716 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.513 -2.570 9.234 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.322 -4.071 8.909 1.00 0.00 H new ATOM 225 N ALA A 14 -1.844 4.399 6.390 1.00 0.00 N ATOM 226 CA ALA A 14 -0.913 5.526 6.352 1.00 0.00 C ATOM 227 C ALA A 14 -0.934 6.340 7.655 1.00 0.00 C ATOM 228 O ALA A 14 0.104 6.795 8.128 1.00 0.00 O ATOM 229 CB ALA A 14 -1.246 6.394 5.144 1.00 0.00 C ATOM 0 H ALA A 14 -2.439 4.319 5.566 1.00 0.00 H new ATOM 0 HA ALA A 14 0.103 5.142 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.559 7.239 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.149 5.803 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.269 6.761 5.231 1.00 0.00 H new ATOM 235 N ALA A 15 -2.117 6.515 8.245 1.00 0.00 N ATOM 236 CA ALA A 15 -2.303 7.249 9.487 1.00 0.00 C ATOM 237 C ALA A 15 -1.581 6.657 10.707 1.00 0.00 C ATOM 238 O ALA A 15 -1.399 7.388 11.677 1.00 0.00 O ATOM 239 CB ALA A 15 -3.800 7.409 9.766 1.00 0.00 C ATOM 0 H ALA A 15 -2.986 6.142 7.862 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.833 8.221 9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.940 7.959 10.697 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.266 7.957 8.947 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.261 6.425 9.853 1.00 0.00 H new ATOM 245 N LYS A 16 -1.174 5.378 10.717 1.00 0.00 N ATOM 246 CA LYS A 16 -0.492 4.804 11.868 1.00 0.00 C ATOM 247 C LYS A 16 0.956 5.312 11.910 1.00 0.00 C ATOM 248 O LYS A 16 1.283 6.167 12.728 1.00 0.00 O ATOM 249 CB LYS A 16 -0.564 3.269 11.829 1.00 0.00 C ATOM 250 CG LYS A 16 -1.455 2.640 12.910 1.00 0.00 C ATOM 251 CD LYS A 16 -2.957 2.718 12.604 1.00 0.00 C ATOM 252 CE LYS A 16 -3.338 2.058 11.271 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.764 0.710 11.108 1.00 0.00 N ATOM 0 H LYS A 16 -1.309 4.731 9.940 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.989 5.122 12.784 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.932 2.961 10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.445 2.869 11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.174 1.594 13.035 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.262 3.138 13.860 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.511 2.238 13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.263 3.764 12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.424 1.995 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.002 2.691 10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.435 0.107 10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.874 0.774 10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.578 0.296 12.044 1.00 0.00 H new ATOM 267 N GLU A 17 1.826 4.784 11.040 1.00 0.00 N ATOM 268 CA GLU A 17 3.231 5.165 10.971 1.00 0.00 C ATOM 269 C GLU A 17 3.514 5.780 9.602 1.00 0.00 C ATOM 270 O GLU A 17 3.455 5.120 8.563 1.00 0.00 O ATOM 271 CB GLU A 17 4.174 3.990 11.225 1.00 0.00 C ATOM 272 CG GLU A 17 3.716 3.014 12.320 1.00 0.00 C ATOM 273 CD GLU A 17 3.440 3.705 13.652 1.00 0.00 C ATOM 274 OE1 GLU A 17 4.320 4.480 14.085 1.00 0.00 O ATOM 275 OE2 GLU A 17 2.358 3.434 14.218 1.00 0.00 O ATOM 0 H GLU A 17 1.565 4.072 10.358 1.00 0.00 H new ATOM 0 HA GLU A 17 3.418 5.892 11.761 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.299 3.436 10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.154 4.382 11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.813 2.501 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.481 2.251 12.464 1.00 0.00 H new ATOM 282 N GLY A 18 3.841 7.060 9.649 1.00 0.00 N ATOM 283 CA GLY A 18 4.120 7.936 8.527 1.00 0.00 C ATOM 284 C GLY A 18 3.082 9.058 8.516 1.00 0.00 C ATOM 285 O GLY A 18 2.323 9.230 9.467 1.00 0.00 O ATOM 0 H GLY A 18 3.924 7.549 10.540 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.125 8.351 8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.083 7.377 7.592 1.00 0.00 H new ATOM 289 N ASP A 19 3.046 9.833 7.434 1.00 0.00 N ATOM 290 CA ASP A 19 2.083 10.913 7.265 1.00 0.00 C ATOM 291 C ASP A 19 0.773 10.267 6.794 1.00 0.00 C ATOM 292 O ASP A 19 0.854 9.293 6.057 1.00 0.00 O ATOM 293 CB ASP A 19 2.637 11.874 6.203 1.00 0.00 C ATOM 294 CG ASP A 19 1.705 13.045 5.917 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.683 12.803 5.239 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.019 14.155 6.396 1.00 0.00 O ATOM 0 H ASP A 19 3.688 9.727 6.648 1.00 0.00 H new ATOM 0 HA ASP A 19 1.908 11.472 8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.602 12.257 6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.814 11.323 5.279 1.00 0.00 H new ATOM 301 N PRO A 20 -0.424 10.758 7.155 1.00 0.00 N ATOM 302 CA PRO A 20 -1.684 10.176 6.693 1.00 0.00 C ATOM 303 C PRO A 20 -1.766 9.970 5.170 1.00 0.00 C ATOM 304 O PRO A 20 -2.488 9.090 4.714 1.00 0.00 O ATOM 305 CB PRO A 20 -2.795 11.088 7.225 1.00 0.00 C ATOM 306 CG PRO A 20 -2.073 12.386 7.592 1.00 0.00 C ATOM 307 CD PRO A 20 -0.689 11.899 8.013 1.00 0.00 C ATOM 0 HA PRO A 20 -1.782 9.161 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.564 11.260 6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.290 10.649 8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.020 13.072 6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.578 12.915 8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.062 12.678 7.880 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.672 11.616 9.065 1.00 0.00 H new ATOM 315 N ASN A 21 -1.038 10.752 4.369 1.00 0.00 N ATOM 316 CA ASN A 21 -1.016 10.616 2.920 1.00 0.00 C ATOM 317 C ASN A 21 -0.001 9.562 2.447 1.00 0.00 C ATOM 318 O ASN A 21 -0.059 9.153 1.288 1.00 0.00 O ATOM 319 CB ASN A 21 -0.702 11.992 2.325 1.00 0.00 C ATOM 320 CG ASN A 21 -0.430 11.941 0.827 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.332 11.798 0.013 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.827 12.061 0.431 1.00 0.00 N ATOM 0 H ASN A 21 -0.443 11.504 4.717 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.989 10.265 2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.539 12.664 2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.166 12.413 2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.053 12.035 -0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.570 12.180 1.120 1.00 0.00 H new ATOM 329 N GLN A 22 0.926 9.113 3.307 1.00 0.00 N ATOM 330 CA GLN A 22 1.969 8.160 2.950 1.00 0.00 C ATOM 331 C GLN A 22 2.012 6.869 3.781 1.00 0.00 C ATOM 332 O GLN A 22 1.892 6.876 4.999 1.00 0.00 O ATOM 333 CB GLN A 22 3.357 8.794 3.053 1.00 0.00 C ATOM 334 CG GLN A 22 3.724 9.837 1.993 1.00 0.00 C ATOM 335 CD GLN A 22 3.759 11.230 2.596 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.862 12.037 2.389 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.793 11.536 3.364 1.00 0.00 N ATOM 0 H GLN A 22 0.966 9.411 4.282 1.00 0.00 H new ATOM 0 HA GLN A 22 1.706 7.887 1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.444 9.262 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.098 7.996 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.696 9.598 1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.999 9.806 1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.530 10.849 3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.852 12.458 3.796 1.00 0.00 H new ATOM 346 N LEU A 23 2.245 5.749 3.097 1.00 0.00 N ATOM 347 CA LEU A 23 2.406 4.424 3.680 1.00 0.00 C ATOM 348 C LEU A 23 3.895 4.143 3.861 1.00 0.00 C ATOM 349 O LEU A 23 4.588 3.888 2.881 1.00 0.00 O ATOM 350 CB LEU A 23 1.865 3.370 2.708 1.00 0.00 C ATOM 351 CG LEU A 23 0.390 3.013 2.874 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.006 2.061 1.736 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.087 2.320 4.203 1.00 0.00 C ATOM 0 H LEU A 23 2.330 5.744 2.081 1.00 0.00 H new ATOM 0 HA LEU A 23 1.874 4.385 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.021 3.727 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.455 2.461 2.821 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.181 3.941 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.045 1.788 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.169 2.555 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.620 1.162 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.977 2.092 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.660 1.395 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.362 2.978 5.027 1.00 0.00 H new ATOM 365 N SER A 24 4.421 4.155 5.083 1.00 0.00 N ATOM 366 CA SER A 24 5.832 3.828 5.264 1.00 0.00 C ATOM 367 C SER A 24 6.027 2.340 4.941 1.00 0.00 C ATOM 368 O SER A 24 5.066 1.575 4.965 1.00 0.00 O ATOM 369 CB SER A 24 6.282 4.168 6.689 1.00 0.00 C ATOM 370 OG SER A 24 5.517 3.457 7.641 1.00 0.00 O ATOM 0 H SER A 24 3.911 4.380 5.937 1.00 0.00 H new ATOM 0 HA SER A 24 6.450 4.421 4.590 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.338 3.925 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.180 5.239 6.861 1.00 0.00 H new ATOM 0 HG SER A 24 4.823 4.044 8.007 1.00 0.00 H new ATOM 376 N LYS A 25 7.252 1.896 4.644 1.00 0.00 N ATOM 377 CA LYS A 25 7.531 0.487 4.383 1.00 0.00 C ATOM 378 C LYS A 25 6.996 -0.380 5.519 1.00 0.00 C ATOM 379 O LYS A 25 6.309 -1.382 5.320 1.00 0.00 O ATOM 380 CB LYS A 25 9.030 0.341 4.081 1.00 0.00 C ATOM 381 CG LYS A 25 9.967 -0.477 4.982 1.00 0.00 C ATOM 382 CD LYS A 25 10.661 0.323 6.099 1.00 0.00 C ATOM 383 CE LYS A 25 11.448 1.547 5.603 1.00 0.00 C ATOM 384 NZ LYS A 25 12.348 1.220 4.481 1.00 0.00 N ATOM 0 H LYS A 25 8.071 2.501 4.579 1.00 0.00 H new ATOM 0 HA LYS A 25 7.004 0.121 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.109 -0.082 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.441 1.350 4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.394 -1.285 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.732 -0.940 4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.908 0.655 6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.341 -0.339 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.749 2.323 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.033 1.958 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.918 2.056 4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.978 0.440 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.784 0.934 3.656 1.00 0.00 H new ATOM 398 N GLU A 26 7.316 0.074 6.724 1.00 0.00 N ATOM 399 CA GLU A 26 6.860 -0.508 7.976 1.00 0.00 C ATOM 400 C GLU A 26 5.332 -0.643 7.940 1.00 0.00 C ATOM 401 O GLU A 26 4.783 -1.687 8.277 1.00 0.00 O ATOM 402 CB GLU A 26 7.321 0.388 9.133 1.00 0.00 C ATOM 403 CG GLU A 26 6.915 -0.173 10.503 1.00 0.00 C ATOM 404 CD GLU A 26 7.449 0.698 11.636 1.00 0.00 C ATOM 405 OE1 GLU A 26 7.061 1.885 11.667 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.241 0.163 12.441 1.00 0.00 O ATOM 0 H GLU A 26 7.920 0.885 6.859 1.00 0.00 H new ATOM 0 HA GLU A 26 7.283 -1.502 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.405 0.498 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.895 1.384 9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.828 -0.232 10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.296 -1.188 10.611 1.00 0.00 H new ATOM 413 N GLU A 27 4.638 0.418 7.528 1.00 0.00 N ATOM 414 CA GLU A 27 3.188 0.429 7.450 1.00 0.00 C ATOM 415 C GLU A 27 2.658 -0.539 6.388 1.00 0.00 C ATOM 416 O GLU A 27 1.684 -1.259 6.625 1.00 0.00 O ATOM 417 CB GLU A 27 2.722 1.861 7.177 1.00 0.00 C ATOM 418 CG GLU A 27 1.234 2.038 7.459 1.00 0.00 C ATOM 419 CD GLU A 27 0.888 1.792 8.920 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.623 2.334 9.771 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.100 1.068 9.164 1.00 0.00 O ATOM 0 H GLU A 27 5.073 1.294 7.239 1.00 0.00 H new ATOM 0 HA GLU A 27 2.783 0.085 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.294 2.553 7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.928 2.118 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.932 3.048 7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.664 1.352 6.833 1.00 0.00 H new ATOM 428 N LEU A 28 3.285 -0.561 5.208 1.00 0.00 N ATOM 429 CA LEU A 28 2.869 -1.435 4.125 1.00 0.00 C ATOM 430 C LEU A 28 2.783 -2.880 4.619 1.00 0.00 C ATOM 431 O LEU A 28 1.838 -3.589 4.285 1.00 0.00 O ATOM 432 CB LEU A 28 3.833 -1.303 2.938 1.00 0.00 C ATOM 433 CG LEU A 28 3.313 -2.013 1.677 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.126 -1.279 1.039 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.434 -2.143 0.642 1.00 0.00 C ATOM 0 H LEU A 28 4.089 0.025 4.985 1.00 0.00 H new ATOM 0 HA LEU A 28 1.877 -1.138 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.991 -0.247 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.802 -1.720 3.213 1.00 0.00 H new ATOM 0 HG LEU A 28 2.971 -2.999 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.797 -1.821 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.306 -1.222 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.431 -0.272 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.053 -2.647 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.794 -1.151 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.254 -2.723 1.065 1.00 0.00 H new ATOM 447 N LYS A 29 3.756 -3.313 5.425 1.00 0.00 N ATOM 448 CA LYS A 29 3.789 -4.666 5.974 1.00 0.00 C ATOM 449 C LYS A 29 2.449 -5.024 6.622 1.00 0.00 C ATOM 450 O LYS A 29 1.744 -5.917 6.156 1.00 0.00 O ATOM 451 CB LYS A 29 4.944 -4.771 6.973 1.00 0.00 C ATOM 452 CG LYS A 29 5.030 -6.122 7.687 1.00 0.00 C ATOM 453 CD LYS A 29 5.295 -7.271 6.704 1.00 0.00 C ATOM 454 CE LYS A 29 5.754 -8.547 7.415 1.00 0.00 C ATOM 455 NZ LYS A 29 7.111 -8.410 7.973 1.00 0.00 N ATOM 0 H LYS A 29 4.543 -2.732 5.714 1.00 0.00 H new ATOM 0 HA LYS A 29 3.954 -5.383 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.882 -4.589 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.838 -3.984 7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.826 -6.090 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.100 -6.310 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.387 -7.479 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.055 -6.964 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.055 -8.787 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.733 -9.381 6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.476 -9.349 8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.737 -7.979 7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.079 -7.806 8.819 1.00 0.00 H new ATOM 469 N LEU A 30 2.102 -4.332 7.711 1.00 0.00 N ATOM 470 CA LEU A 30 0.844 -4.532 8.416 1.00 0.00 C ATOM 471 C LEU A 30 -0.343 -4.482 7.448 1.00 0.00 C ATOM 472 O LEU A 30 -1.244 -5.317 7.533 1.00 0.00 O ATOM 473 CB LEU A 30 0.646 -3.562 9.595 1.00 0.00 C ATOM 474 CG LEU A 30 1.696 -2.476 9.877 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.099 -1.452 10.851 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.957 -3.048 10.527 1.00 0.00 C ATOM 0 H LEU A 30 2.694 -3.613 8.127 1.00 0.00 H new ATOM 0 HA LEU A 30 0.893 -5.530 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.309 -3.059 9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.551 -4.164 10.499 1.00 0.00 H new ATOM 0 HG LEU A 30 1.966 -2.026 8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.835 -0.676 11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.212 -1.001 10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.825 -1.951 11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.670 -2.244 10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.696 -3.521 11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.405 -3.788 9.863 1.00 0.00 H new ATOM 488 N LEU A 31 -0.347 -3.513 6.530 1.00 0.00 N ATOM 489 CA LEU A 31 -1.408 -3.370 5.539 1.00 0.00 C ATOM 490 C LEU A 31 -1.605 -4.687 4.784 1.00 0.00 C ATOM 491 O LEU A 31 -2.684 -5.281 4.816 1.00 0.00 O ATOM 492 CB LEU A 31 -1.055 -2.237 4.563 1.00 0.00 C ATOM 493 CG LEU A 31 -2.263 -1.523 3.937 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.795 -0.733 2.723 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.424 -2.422 3.532 1.00 0.00 C ATOM 0 H LEU A 31 0.386 -2.808 6.455 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.341 -3.121 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.448 -1.500 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.438 -2.645 3.763 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.660 -0.881 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.645 -0.222 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.052 0.003 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.352 -1.413 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.221 -1.815 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.082 -3.148 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.801 -2.947 4.410 1.00 0.00 H new ATOM 507 N LEU A 32 -0.545 -5.139 4.111 1.00 0.00 N ATOM 508 CA LEU A 32 -0.560 -6.358 3.321 1.00 0.00 C ATOM 509 C LEU A 32 -1.001 -7.524 4.192 1.00 0.00 C ATOM 510 O LEU A 32 -1.860 -8.305 3.801 1.00 0.00 O ATOM 511 CB LEU A 32 0.825 -6.678 2.740 1.00 0.00 C ATOM 512 CG LEU A 32 1.385 -5.624 1.778 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.899 -5.803 1.604 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.720 -5.708 0.403 1.00 0.00 C ATOM 0 H LEU A 32 0.355 -4.659 4.103 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.256 -6.206 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.527 -6.805 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.771 -7.633 2.217 1.00 0.00 H new ATOM 0 HG LEU A 32 1.173 -4.648 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.278 -5.046 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.391 -5.696 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.104 -6.794 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.142 -4.946 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.896 -6.694 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.353 -5.544 0.507 1.00 0.00 H new ATOM 526 N GLN A 33 -0.411 -7.644 5.377 1.00 0.00 N ATOM 527 CA GLN A 33 -0.708 -8.715 6.293 1.00 0.00 C ATOM 528 C GLN A 33 -2.193 -8.760 6.654 1.00 0.00 C ATOM 529 O GLN A 33 -2.778 -9.839 6.686 1.00 0.00 O ATOM 530 CB GLN A 33 0.166 -8.516 7.526 1.00 0.00 C ATOM 531 CG GLN A 33 1.577 -9.082 7.333 1.00 0.00 C ATOM 532 CD GLN A 33 2.360 -9.122 8.640 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.935 -10.137 9.006 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.407 -8.026 9.380 1.00 0.00 N ATOM 0 H GLN A 33 0.291 -6.990 5.722 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.490 -9.676 5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.231 -7.452 7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.303 -8.999 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.510 -10.088 6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.115 -8.474 6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.926 -7.181 9.071 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.924 -8.026 10.259 1.00 0.00 H new ATOM 543 N THR A 34 -2.804 -7.609 6.932 1.00 0.00 N ATOM 544 CA THR A 34 -4.209 -7.582 7.316 1.00 0.00 C ATOM 545 C THR A 34 -5.138 -7.828 6.124 1.00 0.00 C ATOM 546 O THR A 34 -6.077 -8.614 6.220 1.00 0.00 O ATOM 547 CB THR A 34 -4.589 -6.241 7.974 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.608 -5.769 8.881 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.909 -6.401 8.742 1.00 0.00 C ATOM 0 H THR A 34 -2.352 -6.695 6.898 1.00 0.00 H new ATOM 0 HA THR A 34 -4.339 -8.390 8.036 1.00 0.00 H new ATOM 0 HB THR A 34 -4.679 -5.515 7.166 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.823 -5.460 8.382 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.177 -5.452 9.207 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.697 -6.702 8.052 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.791 -7.162 9.513 1.00 0.00 H new ATOM 557 N GLU A 35 -4.903 -7.125 5.015 1.00 0.00 N ATOM 558 CA GLU A 35 -5.803 -7.139 3.872 1.00 0.00 C ATOM 559 C GLU A 35 -5.571 -8.263 2.869 1.00 0.00 C ATOM 560 O GLU A 35 -6.537 -8.771 2.305 1.00 0.00 O ATOM 561 CB GLU A 35 -5.748 -5.777 3.170 1.00 0.00 C ATOM 562 CG GLU A 35 -6.026 -4.612 4.130 1.00 0.00 C ATOM 563 CD GLU A 35 -7.366 -4.736 4.848 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.385 -4.843 4.132 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.344 -4.715 6.098 1.00 0.00 O ATOM 0 H GLU A 35 -4.083 -6.532 4.889 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.795 -7.336 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.766 -5.644 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.477 -5.759 2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.227 -4.560 4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.005 -3.676 3.572 1.00 0.00 H new ATOM 572 N PHE A 36 -4.323 -8.650 2.608 1.00 0.00 N ATOM 573 CA PHE A 36 -4.059 -9.662 1.601 1.00 0.00 C ATOM 574 C PHE A 36 -2.710 -10.328 1.907 1.00 0.00 C ATOM 575 O PHE A 36 -1.710 -10.030 1.252 1.00 0.00 O ATOM 576 CB PHE A 36 -4.112 -9.051 0.184 1.00 0.00 C ATOM 577 CG PHE A 36 -4.269 -7.544 0.068 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.118 -6.741 0.131 1.00 0.00 C ATOM 579 CD2 PHE A 36 -5.516 -6.955 -0.223 1.00 0.00 C ATOM 580 CE1 PHE A 36 -3.201 -5.366 -0.138 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.604 -5.572 -0.453 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.446 -4.777 -0.418 1.00 0.00 C ATOM 0 H PHE A 36 -3.494 -8.282 3.075 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.832 -10.430 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.197 -9.334 -0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.940 -9.516 -0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.166 -7.183 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.404 -7.567 -0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.307 -4.760 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.563 -5.119 -0.657 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.512 -3.716 -0.606 1.00 0.00 H new ATOM 592 N PRO A 37 -2.658 -11.250 2.884 1.00 0.00 N ATOM 593 CA PRO A 37 -1.440 -11.978 3.223 1.00 0.00 C ATOM 594 C PRO A 37 -0.869 -12.781 2.039 1.00 0.00 C ATOM 595 O PRO A 37 0.241 -13.296 2.124 1.00 0.00 O ATOM 596 CB PRO A 37 -1.800 -12.865 4.419 1.00 0.00 C ATOM 597 CG PRO A 37 -3.318 -13.016 4.317 1.00 0.00 C ATOM 598 CD PRO A 37 -3.750 -11.665 3.751 1.00 0.00 C ATOM 0 HA PRO A 37 -0.636 -11.287 3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.297 -13.831 4.366 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.506 -12.404 5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.600 -13.839 3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.772 -13.212 5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.684 -11.751 3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.919 -10.940 4.547 1.00 0.00 H new ATOM 702 N THR A 45 11.716 -8.845 -1.494 1.00 0.00 N ATOM 703 CA THR A 45 11.571 -8.704 -0.055 1.00 0.00 C ATOM 704 C THR A 45 10.552 -7.599 0.221 1.00 0.00 C ATOM 705 O THR A 45 10.153 -6.878 -0.691 1.00 0.00 O ATOM 706 CB THR A 45 12.930 -8.329 0.554 1.00 0.00 C ATOM 707 OG1 THR A 45 13.344 -7.070 0.054 1.00 0.00 O ATOM 708 CG2 THR A 45 14.000 -9.380 0.243 1.00 0.00 C ATOM 0 HA THR A 45 11.229 -9.639 0.389 1.00 0.00 H new ATOM 0 HB THR A 45 12.810 -8.282 1.636 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.211 -6.832 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.947 -9.079 0.691 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.695 -10.343 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.121 -9.468 -0.837 1.00 0.00 H new ATOM 716 N LEU A 46 10.146 -7.435 1.483 1.00 0.00 N ATOM 717 CA LEU A 46 9.238 -6.368 1.889 1.00 0.00 C ATOM 718 C LEU A 46 9.760 -5.028 1.371 1.00 0.00 C ATOM 719 O LEU A 46 9.016 -4.232 0.809 1.00 0.00 O ATOM 720 CB LEU A 46 9.169 -6.330 3.426 1.00 0.00 C ATOM 721 CG LEU A 46 8.456 -5.090 3.999 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.980 -5.037 3.587 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.594 -5.086 5.525 1.00 0.00 C ATOM 0 H LEU A 46 10.440 -8.040 2.250 1.00 0.00 H new ATOM 0 HA LEU A 46 8.246 -6.551 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.655 -7.225 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.183 -6.368 3.824 1.00 0.00 H new ATOM 0 HG LEU A 46 8.931 -4.200 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.515 -4.147 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.907 -5.000 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.467 -5.926 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.091 -4.210 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.140 -5.989 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.650 -5.057 5.795 1.00 0.00 H new ATOM 735 N ASP A 47 11.058 -4.797 1.579 1.00 0.00 N ATOM 736 CA ASP A 47 11.747 -3.582 1.225 1.00 0.00 C ATOM 737 C ASP A 47 11.771 -3.430 -0.282 1.00 0.00 C ATOM 738 O ASP A 47 11.367 -2.389 -0.763 1.00 0.00 O ATOM 739 CB ASP A 47 13.159 -3.561 1.816 1.00 0.00 C ATOM 740 CG ASP A 47 13.829 -2.225 1.516 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.456 -1.241 2.192 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.691 -2.214 0.612 1.00 0.00 O ATOM 0 H ASP A 47 11.670 -5.486 2.016 1.00 0.00 H new ATOM 0 HA ASP A 47 11.211 -2.732 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.114 -3.721 2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.750 -4.376 1.397 1.00 0.00 H new ATOM 747 N GLU A 48 12.221 -4.439 -1.032 1.00 0.00 N ATOM 748 CA GLU A 48 12.258 -4.335 -2.487 1.00 0.00 C ATOM 749 C GLU A 48 10.853 -4.077 -3.045 1.00 0.00 C ATOM 750 O GLU A 48 10.668 -3.221 -3.905 1.00 0.00 O ATOM 751 CB GLU A 48 12.892 -5.596 -3.084 1.00 0.00 C ATOM 752 CG GLU A 48 14.379 -5.714 -2.721 1.00 0.00 C ATOM 753 CD GLU A 48 15.225 -4.643 -3.403 1.00 0.00 C ATOM 754 OE1 GLU A 48 15.400 -4.760 -4.634 1.00 0.00 O ATOM 755 OE2 GLU A 48 15.679 -3.730 -2.679 1.00 0.00 O ATOM 0 H GLU A 48 12.560 -5.326 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 48 12.877 -3.484 -2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.359 -6.476 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.783 -5.579 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.495 -5.633 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.744 -6.700 -3.008 1.00 0.00 H new ATOM 762 N LEU A 49 9.855 -4.807 -2.543 1.00 0.00 N ATOM 763 CA LEU A 49 8.463 -4.664 -2.942 1.00 0.00 C ATOM 764 C LEU A 49 8.016 -3.222 -2.695 1.00 0.00 C ATOM 765 O LEU A 49 7.604 -2.521 -3.617 1.00 0.00 O ATOM 766 CB LEU A 49 7.621 -5.698 -2.178 1.00 0.00 C ATOM 767 CG LEU A 49 6.107 -5.486 -2.294 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.629 -5.535 -3.751 1.00 0.00 C ATOM 769 CD2 LEU A 49 5.377 -6.561 -1.479 1.00 0.00 C ATOM 0 H LEU A 49 10.000 -5.526 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 49 8.330 -4.860 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.866 -6.694 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.901 -5.671 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 49 5.879 -4.494 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.551 -5.380 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.127 -4.752 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.870 -6.507 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.300 -6.411 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.636 -7.548 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.675 -6.489 -0.433 1.00 0.00 H new ATOM 781 N PHE A 50 8.117 -2.770 -1.445 1.00 0.00 N ATOM 782 CA PHE A 50 7.805 -1.410 -1.055 1.00 0.00 C ATOM 783 C PHE A 50 8.596 -0.446 -1.929 1.00 0.00 C ATOM 784 O PHE A 50 8.071 0.590 -2.300 1.00 0.00 O ATOM 785 CB PHE A 50 8.211 -1.229 0.413 1.00 0.00 C ATOM 786 CG PHE A 50 8.630 0.179 0.764 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.669 1.148 1.088 1.00 0.00 C ATOM 788 CD2 PHE A 50 9.984 0.544 0.633 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.060 2.487 1.231 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.363 1.892 0.724 1.00 0.00 C ATOM 791 CZ PHE A 50 9.392 2.870 0.996 1.00 0.00 C ATOM 0 H PHE A 50 8.424 -3.355 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 50 6.740 -1.210 -1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.374 -1.518 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.033 -1.909 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.636 0.865 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.732 -0.216 0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.332 3.230 1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.396 2.176 0.586 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.668 3.914 1.025 1.00 0.00 H new ATOM 801 N GLU A 51 9.851 -0.763 -2.247 1.00 0.00 N ATOM 802 CA GLU A 51 10.673 0.137 -3.043 1.00 0.00 C ATOM 803 C GLU A 51 10.119 0.269 -4.458 1.00 0.00 C ATOM 804 O GLU A 51 10.050 1.374 -4.985 1.00 0.00 O ATOM 805 CB GLU A 51 12.150 -0.278 -3.015 1.00 0.00 C ATOM 806 CG GLU A 51 13.043 0.949 -3.201 1.00 0.00 C ATOM 807 CD GLU A 51 14.519 0.564 -3.231 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.932 -0.010 -4.261 1.00 0.00 O ATOM 809 OE2 GLU A 51 15.203 0.850 -2.225 1.00 0.00 O ATOM 0 H GLU A 51 10.314 -1.628 -1.967 1.00 0.00 H new ATOM 0 HA GLU A 51 10.630 1.129 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.381 -0.766 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.347 -1.004 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.779 1.456 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.866 1.656 -2.390 1.00 0.00 H new ATOM 816 N GLU A 52 9.700 -0.843 -5.069 1.00 0.00 N ATOM 817 CA GLU A 52 9.098 -0.816 -6.395 1.00 0.00 C ATOM 818 C GLU A 52 7.861 0.076 -6.311 1.00 0.00 C ATOM 819 O GLU A 52 7.631 0.953 -7.140 1.00 0.00 O ATOM 820 CB GLU A 52 8.721 -2.247 -6.813 1.00 0.00 C ATOM 821 CG GLU A 52 7.734 -2.280 -7.989 1.00 0.00 C ATOM 822 CD GLU A 52 7.417 -3.715 -8.397 1.00 0.00 C ATOM 823 OE1 GLU A 52 6.696 -4.378 -7.619 1.00 0.00 O ATOM 824 OE2 GLU A 52 7.902 -4.123 -9.473 1.00 0.00 O ATOM 0 H GLU A 52 9.769 -1.775 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 52 9.789 -0.423 -7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.625 -2.791 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.282 -2.766 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.814 -1.766 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.156 -1.742 -8.838 1.00 0.00 H new ATOM 831 N LEU A 53 7.065 -0.186 -5.279 1.00 0.00 N ATOM 832 CA LEU A 53 5.839 0.526 -4.991 1.00 0.00 C ATOM 833 C LEU A 53 6.091 2.019 -4.750 1.00 0.00 C ATOM 834 O LEU A 53 5.319 2.856 -5.214 1.00 0.00 O ATOM 835 CB LEU A 53 5.177 -0.169 -3.792 1.00 0.00 C ATOM 836 CG LEU A 53 4.294 -1.332 -4.263 1.00 0.00 C ATOM 837 CD1 LEU A 53 4.054 -2.275 -3.087 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.951 -0.840 -4.817 1.00 0.00 C ATOM 0 H LEU A 53 7.267 -0.923 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 53 5.166 0.492 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.943 -0.539 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.575 0.549 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 53 4.810 -1.852 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.427 -3.106 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.009 -2.659 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.554 -1.734 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.356 -1.694 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.414 -0.296 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.128 -0.179 -5.666 1.00 0.00 H new ATOM 850 N ASP A 54 7.161 2.376 -4.035 1.00 0.00 N ATOM 851 CA ASP A 54 7.517 3.751 -3.731 1.00 0.00 C ATOM 852 C ASP A 54 8.177 4.339 -4.974 1.00 0.00 C ATOM 853 O ASP A 54 9.374 4.607 -4.985 1.00 0.00 O ATOM 854 CB ASP A 54 8.423 3.828 -2.486 1.00 0.00 C ATOM 855 CG ASP A 54 8.780 5.271 -2.106 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.288 6.193 -2.793 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.568 5.443 -1.147 1.00 0.00 O ATOM 0 H ASP A 54 7.814 1.696 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 54 6.631 4.335 -3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.921 3.348 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.339 3.268 -2.672 1.00 0.00 H new ATOM 862 N LYS A 55 7.377 4.552 -6.019 1.00 0.00 N ATOM 863 CA LYS A 55 7.820 5.117 -7.284 1.00 0.00 C ATOM 864 C LYS A 55 8.528 6.463 -7.070 1.00 0.00 C ATOM 865 O LYS A 55 9.411 6.833 -7.837 1.00 0.00 O ATOM 866 CB LYS A 55 6.606 5.239 -8.219 1.00 0.00 C ATOM 867 CG LYS A 55 6.972 5.551 -9.678 1.00 0.00 C ATOM 868 CD LYS A 55 7.938 4.541 -10.318 1.00 0.00 C ATOM 869 CE LYS A 55 7.500 3.076 -10.175 1.00 0.00 C ATOM 870 NZ LYS A 55 6.153 2.845 -10.725 1.00 0.00 N ATOM 0 H LYS A 55 6.382 4.330 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 55 8.554 4.459 -7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.041 4.307 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.949 6.023 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.057 5.587 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.420 6.544 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.043 4.776 -11.377 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.923 4.660 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.216 2.432 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.515 2.795 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.924 1.832 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.456 3.388 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.126 3.152 -11.718 1.00 0.00 H new ATOM 884 N ASN A 56 8.146 7.188 -6.016 1.00 0.00 N ATOM 885 CA ASN A 56 8.741 8.466 -5.650 1.00 0.00 C ATOM 886 C ASN A 56 10.154 8.240 -5.104 1.00 0.00 C ATOM 887 O ASN A 56 11.018 9.087 -5.313 1.00 0.00 O ATOM 888 CB ASN A 56 7.821 9.151 -4.621 1.00 0.00 C ATOM 889 CG ASN A 56 8.275 10.504 -4.072 1.00 0.00 C ATOM 890 OD1 ASN A 56 7.653 11.051 -3.174 1.00 0.00 O ATOM 891 ND2 ASN A 56 9.348 11.089 -4.570 1.00 0.00 N ATOM 0 H ASN A 56 7.401 6.894 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 56 8.834 9.118 -6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.841 9.284 -5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.690 8.471 -3.779 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.653 11.991 -4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.873 10.639 -5.320 1.00 0.00 H new ATOM 898 N GLY A 57 10.396 7.117 -4.425 1.00 0.00 N ATOM 899 CA GLY A 57 11.685 6.773 -3.844 1.00 0.00 C ATOM 900 C GLY A 57 12.118 7.847 -2.853 1.00 0.00 C ATOM 901 O GLY A 57 13.202 8.406 -2.981 1.00 0.00 O ATOM 0 H GLY A 57 9.681 6.408 -4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.620 5.808 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.432 6.672 -4.631 1.00 0.00 H new ATOM 905 N ASP A 58 11.262 8.133 -1.866 1.00 0.00 N ATOM 906 CA ASP A 58 11.504 9.171 -0.865 1.00 0.00 C ATOM 907 C ASP A 58 11.648 8.577 0.533 1.00 0.00 C ATOM 908 O ASP A 58 12.454 9.050 1.327 1.00 0.00 O ATOM 909 CB ASP A 58 10.384 10.224 -0.900 1.00 0.00 C ATOM 910 CG ASP A 58 9.055 9.717 -0.342 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.727 8.548 -0.640 1.00 0.00 O ATOM 912 OD2 ASP A 58 8.411 10.485 0.403 1.00 0.00 O ATOM 0 H ASP A 58 10.375 7.645 -1.741 1.00 0.00 H new ATOM 0 HA ASP A 58 12.447 9.660 -1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.699 11.098 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.236 10.552 -1.929 1.00 0.00 H new ATOM 917 N GLY A 59 10.859 7.547 0.836 1.00 0.00 N ATOM 918 CA GLY A 59 10.852 6.908 2.136 1.00 0.00 C ATOM 919 C GLY A 59 9.518 6.221 2.397 1.00 0.00 C ATOM 920 O GLY A 59 9.479 5.262 3.166 1.00 0.00 O ATOM 0 H GLY A 59 10.202 7.134 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.659 6.177 2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.041 7.650 2.911 1.00 0.00 H new ATOM 924 N GLU A 60 8.422 6.682 1.774 1.00 0.00 N ATOM 925 CA GLU A 60 7.116 6.084 1.956 1.00 0.00 C ATOM 926 C GLU A 60 6.369 5.991 0.621 1.00 0.00 C ATOM 927 O GLU A 60 6.666 6.721 -0.316 1.00 0.00 O ATOM 928 CB GLU A 60 6.300 6.951 2.910 1.00 0.00 C ATOM 929 CG GLU A 60 6.974 7.366 4.225 1.00 0.00 C ATOM 930 CD GLU A 60 7.634 8.738 4.106 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.867 9.719 3.979 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.883 8.780 4.142 1.00 0.00 O ATOM 0 H GLU A 60 8.429 7.477 1.135 1.00 0.00 H new ATOM 0 HA GLU A 60 7.247 5.081 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.008 7.857 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.383 6.415 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.233 7.385 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.723 6.624 4.502 1.00 0.00 H new ATOM 939 N VAL A 61 5.369 5.119 0.555 1.00 0.00 N ATOM 940 CA VAL A 61 4.461 4.959 -0.574 1.00 0.00 C ATOM 941 C VAL A 61 3.361 5.998 -0.314 1.00 0.00 C ATOM 942 O VAL A 61 3.341 6.616 0.744 1.00 0.00 O ATOM 943 CB VAL A 61 3.928 3.503 -0.609 1.00 0.00 C ATOM 944 CG1 VAL A 61 2.789 3.262 -1.612 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.062 2.551 -0.995 1.00 0.00 C ATOM 0 H VAL A 61 5.160 4.477 1.320 1.00 0.00 H new ATOM 0 HA VAL A 61 4.923 5.120 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 61 3.538 3.322 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.480 2.218 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.943 3.902 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.135 3.495 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.686 1.528 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.444 2.821 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.865 2.625 -0.262 1.00 0.00 H new ATOM 955 N SER A 62 2.421 6.206 -1.228 1.00 0.00 N ATOM 956 CA SER A 62 1.300 7.122 -1.063 1.00 0.00 C ATOM 957 C SER A 62 0.184 6.581 -1.939 1.00 0.00 C ATOM 958 O SER A 62 0.466 5.757 -2.810 1.00 0.00 O ATOM 959 CB SER A 62 1.674 8.559 -1.436 1.00 0.00 C ATOM 960 OG SER A 62 2.001 8.642 -2.806 1.00 0.00 O ATOM 0 H SER A 62 2.418 5.729 -2.129 1.00 0.00 H new ATOM 0 HA SER A 62 0.989 7.174 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.843 9.228 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.520 8.890 -0.833 1.00 0.00 H new ATOM 0 HG SER A 62 2.930 8.359 -2.938 1.00 0.00 H new ATOM 966 N PHE A 63 -1.063 7.014 -1.731 1.00 0.00 N ATOM 967 CA PHE A 63 -2.180 6.535 -2.537 1.00 0.00 C ATOM 968 C PHE A 63 -1.835 6.612 -4.028 1.00 0.00 C ATOM 969 O PHE A 63 -2.090 5.671 -4.774 1.00 0.00 O ATOM 970 CB PHE A 63 -3.479 7.247 -2.172 1.00 0.00 C ATOM 971 CG PHE A 63 -4.669 6.804 -3.000 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.381 5.655 -2.612 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.943 7.399 -4.247 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.487 5.223 -3.365 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.979 6.894 -5.055 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.826 5.886 -4.556 1.00 0.00 C ATOM 0 H PHE A 63 -1.320 7.692 -1.014 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.354 5.483 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.695 7.072 -1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.341 8.321 -2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.078 5.104 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.358 8.243 -4.583 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.075 4.382 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.124 7.278 -6.054 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.730 5.624 -5.085 1.00 0.00 H new ATOM 986 N GLU A 64 -1.225 7.728 -4.431 1.00 0.00 N ATOM 987 CA GLU A 64 -0.770 8.022 -5.782 1.00 0.00 C ATOM 988 C GLU A 64 -0.131 6.803 -6.459 1.00 0.00 C ATOM 989 O GLU A 64 -0.557 6.346 -7.514 1.00 0.00 O ATOM 990 CB GLU A 64 0.275 9.155 -5.690 1.00 0.00 C ATOM 991 CG GLU A 64 0.555 9.789 -7.060 1.00 0.00 C ATOM 992 CD GLU A 64 -0.668 10.500 -7.630 1.00 0.00 C ATOM 993 OE1 GLU A 64 -1.144 11.438 -6.954 1.00 0.00 O ATOM 994 OE2 GLU A 64 -1.113 10.084 -8.722 1.00 0.00 O ATOM 0 H GLU A 64 -1.026 8.491 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.631 8.312 -6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.080 9.921 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.203 8.760 -5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.376 10.500 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.880 9.016 -7.756 1.00 0.00 H new ATOM 1001 N GLU A 65 0.920 6.297 -5.821 1.00 0.00 N ATOM 1002 CA GLU A 65 1.755 5.197 -6.288 1.00 0.00 C ATOM 1003 C GLU A 65 1.062 3.876 -5.967 1.00 0.00 C ATOM 1004 O GLU A 65 1.136 2.918 -6.730 1.00 0.00 O ATOM 1005 CB GLU A 65 3.176 5.272 -5.680 1.00 0.00 C ATOM 1006 CG GLU A 65 3.337 6.467 -4.732 1.00 0.00 C ATOM 1007 CD GLU A 65 4.726 6.733 -4.178 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.710 6.434 -4.884 1.00 0.00 O ATOM 1009 OE2 GLU A 65 4.760 7.283 -3.056 1.00 0.00 O ATOM 0 H GLU A 65 1.227 6.662 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 65 1.882 5.270 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.387 4.350 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.910 5.346 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.006 7.362 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.660 6.324 -3.890 1.00 0.00 H new ATOM 1016 N PHE A 66 0.365 3.840 -4.830 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.386 2.675 -4.376 1.00 0.00 C ATOM 1018 C PHE A 66 -1.360 2.184 -5.452 1.00 0.00 C ATOM 1019 O PHE A 66 -1.727 1.012 -5.449 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.113 3.010 -3.076 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.849 1.859 -2.433 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.164 0.970 -1.587 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.224 1.687 -2.672 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.858 -0.080 -0.967 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.894 0.581 -2.122 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.223 -0.281 -1.239 1.00 0.00 C ATOM 0 H PHE A 66 0.307 4.633 -4.191 1.00 0.00 H new ATOM 0 HA PHE A 66 0.312 1.859 -4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.386 3.399 -2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.826 3.811 -3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.105 1.095 -1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.763 2.402 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.343 -0.735 -0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.926 0.394 -2.379 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.754 -1.096 -0.770 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.775 3.042 -6.392 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.639 2.601 -7.483 1.00 0.00 C ATOM 1038 C GLN A 67 -2.011 1.434 -8.256 1.00 0.00 C ATOM 1039 O GLN A 67 -2.728 0.595 -8.799 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.153 3.762 -8.350 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.747 4.895 -7.515 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.771 4.345 -6.538 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.904 4.051 -6.892 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.380 4.187 -5.286 1.00 0.00 N ATOM 0 H GLN A 67 -1.528 4.031 -6.416 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.551 2.195 -7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.333 4.151 -8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.909 3.389 -9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.955 5.410 -6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.216 5.631 -8.168 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.430 4.439 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.028 3.813 -4.593 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.677 1.333 -8.271 1.00 0.00 N ATOM 1054 CA VAL A 68 -0.001 0.194 -8.875 1.00 0.00 C ATOM 1055 C VAL A 68 -0.476 -1.068 -8.141 1.00 0.00 C ATOM 1056 O VAL A 68 -0.736 -2.094 -8.764 1.00 0.00 O ATOM 1057 CB VAL A 68 1.526 0.380 -8.800 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.270 -0.865 -9.306 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.966 1.583 -9.646 1.00 0.00 C ATOM 0 H VAL A 68 -0.050 2.030 -7.870 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.246 0.103 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 68 1.775 0.546 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.345 -0.699 -9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.997 -1.725 -8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.996 -1.056 -10.344 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.048 1.698 -9.580 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.681 1.421 -10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.482 2.486 -9.274 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.630 -1.006 -6.814 1.00 0.00 N ATOM 1070 CA LEU A 69 -1.120 -2.140 -6.051 1.00 0.00 C ATOM 1071 C LEU A 69 -2.615 -2.320 -6.309 1.00 0.00 C ATOM 1072 O LEU A 69 -3.066 -3.452 -6.476 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.824 -2.013 -4.557 1.00 0.00 C ATOM 1074 CG LEU A 69 -1.053 -3.394 -3.920 1.00 0.00 C ATOM 1075 CD1 LEU A 69 0.242 -3.939 -3.324 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -2.212 -3.362 -2.931 1.00 0.00 C ATOM 0 H LEU A 69 -0.420 -0.180 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.587 -3.029 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.202 -1.682 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.474 -1.267 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.349 -4.095 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.055 -4.916 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.992 -4.035 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.606 -3.255 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.348 -4.353 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.994 -2.646 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.124 -3.064 -3.448 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.384 -1.221 -6.365 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.809 -1.291 -6.707 1.00 0.00 C ATOM 1090 C VAL A 70 -4.957 -2.070 -8.019 1.00 0.00 C ATOM 1091 O VAL A 70 -5.924 -2.798 -8.205 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.470 0.095 -6.785 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.946 -0.008 -7.193 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.389 0.799 -5.426 1.00 0.00 C ATOM 0 H VAL A 70 -3.042 -0.278 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.336 -1.814 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.931 0.668 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.382 0.990 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.021 -0.481 -8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.486 -0.606 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.861 1.779 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.905 0.201 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.344 0.919 -5.140 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.989 -1.942 -8.928 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.981 -2.739 -10.136 1.00 0.00 C ATOM 1106 C LYS A 71 -3.511 -4.166 -9.804 1.00 0.00 C ATOM 1107 O LYS A 71 -4.149 -5.126 -10.233 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.117 -2.065 -11.214 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.963 -2.894 -12.500 1.00 0.00 C ATOM 1110 CD LYS A 71 -4.308 -3.288 -13.128 1.00 0.00 C ATOM 1111 CE LYS A 71 -4.083 -4.030 -14.449 1.00 0.00 C ATOM 1112 NZ LYS A 71 -5.357 -4.499 -15.021 1.00 0.00 N ATOM 0 H LYS A 71 -3.206 -1.293 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.989 -2.811 -10.544 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.556 -1.100 -11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.128 -1.867 -10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.383 -2.323 -13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.395 -3.797 -12.277 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.867 -3.921 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.910 -2.396 -13.302 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.584 -3.371 -15.159 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.421 -4.880 -14.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.173 -4.998 -15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.820 -5.147 -14.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.978 -3.684 -15.200 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.411 -4.346 -9.055 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.851 -5.658 -8.807 1.00 0.00 C ATOM 1128 C LYS A 72 -2.743 -6.622 -8.041 1.00 0.00 C ATOM 1129 O LYS A 72 -2.598 -7.832 -8.180 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.417 -5.541 -8.299 1.00 0.00 C ATOM 1131 CG LYS A 72 -0.122 -5.831 -6.820 1.00 0.00 C ATOM 1132 CD LYS A 72 0.441 -7.249 -6.628 1.00 0.00 C ATOM 1133 CE LYS A 72 1.040 -7.416 -5.225 1.00 0.00 C ATOM 1134 NZ LYS A 72 1.597 -8.766 -5.027 1.00 0.00 N ATOM 0 H LYS A 72 -1.898 -3.583 -8.613 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.802 -6.163 -9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.199 -6.215 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.076 -4.527 -8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.591 -5.100 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.036 -5.718 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.351 -7.982 -6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.205 -7.446 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.823 -6.673 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.271 -7.226 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.993 -8.841 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.844 -9.473 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.348 -8.938 -5.726 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.692 -6.119 -7.260 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.659 -7.004 -6.606 1.00 0.00 C ATOM 1150 C ILE A 73 -5.432 -7.774 -7.692 1.00 0.00 C ATOM 1151 O ILE A 73 -5.840 -8.913 -7.476 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.626 -6.241 -5.686 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.188 -5.005 -6.387 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.963 -5.818 -4.368 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.601 -4.675 -5.924 1.00 0.00 C ATOM 0 H ILE A 73 -3.815 -5.126 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.114 -7.698 -5.966 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.438 -6.930 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.536 -4.153 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.189 -5.169 -7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.686 -5.283 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.617 -6.703 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.115 -5.167 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.959 -3.789 -6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.260 -5.516 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.597 -4.483 -4.851 1.00 0.00 H new ATOM 1167 N SER A 74 -5.602 -7.164 -8.870 1.00 0.00 N ATOM 1168 CA SER A 74 -6.260 -7.731 -10.035 1.00 0.00 C ATOM 1169 C SER A 74 -5.240 -7.888 -11.166 1.00 0.00 C ATOM 1170 O SER A 74 -5.586 -7.772 -12.338 1.00 0.00 O ATOM 1171 CB SER A 74 -7.418 -6.815 -10.444 1.00 0.00 C ATOM 1172 OG SER A 74 -8.259 -6.579 -9.329 1.00 0.00 O ATOM 0 H SER A 74 -5.265 -6.216 -9.037 1.00 0.00 H new ATOM 0 HA SER A 74 -6.665 -8.717 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.030 -5.870 -10.825 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.989 -7.274 -11.251 1.00 0.00 H new ATOM 0 HG SER A 74 -8.997 -5.992 -9.595 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.977 -8.153 -10.814 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.872 -8.356 -11.747 1.00 0.00 C ATOM 1180 C GLN A 75 -3.285 -9.222 -12.943 1.00 0.00 C ATOM 1181 O GLN A 75 -2.432 -9.693 -13.692 1.00 0.00 O ATOM 1182 CB GLN A 75 -1.641 -8.931 -11.015 1.00 0.00 C ATOM 1183 CG GLN A 75 -1.767 -10.395 -10.537 1.00 0.00 C ATOM 1184 CD GLN A 75 -3.128 -10.792 -9.962 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -3.865 -11.561 -10.564 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -3.504 -10.275 -8.803 1.00 0.00 N ATOM 0 H GLN A 75 -3.690 -8.234 -9.838 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.594 -7.383 -12.153 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.780 -8.858 -11.679 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.430 -8.303 -10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.543 -11.052 -11.377 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.006 -10.577 -9.778 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.885 -9.634 -8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.412 -10.517 -8.407 1.00 0.00 H new