USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -5.02! C(o=-5!,f=-8.9!) USER MOD Single : A 17 GLN : amide:sc= -0.924 X(o=-0.92,f=-0.57) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 175:sc= -2.55! USER MOD Single : A 30 SER OG : rot 34:sc= 1.21 USER MOD Single : A 42 MET CE :methyl -125:sc= -0.633 (180deg=-1.4) USER MOD Single : A 43 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.62) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.4!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.79 K(o=-2.8,f=-5.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -109:sc= 0.0355 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.63! K(o=-2.6!,f=-1) USER MOD Single : A 69 MET CE :methyl 138:sc= -3.13! (180deg=-7.82!) USER MOD Single : A 72 GLN : amide:sc= -6.78! C(o=-6.8!,f=-7.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= -1.59 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.223 -9.159 -10.748 1.00 0.00 N ATOM 60 CA GLY A 7 -1.347 -7.781 -10.304 1.00 0.00 C ATOM 61 C GLY A 7 -0.573 -7.552 -9.005 1.00 0.00 C ATOM 62 O GLY A 7 -0.224 -8.504 -8.309 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.972 -7.111 -11.078 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.399 -7.537 -10.153 1.00 0.00 H new ATOM 66 N PRO A 8 -0.322 -6.248 -8.708 1.00 0.00 N ATOM 67 CA PRO A 8 0.405 -5.881 -7.504 1.00 0.00 C ATOM 68 C PRO A 8 -0.480 -6.029 -6.265 1.00 0.00 C ATOM 69 O PRO A 8 0.018 -6.287 -5.170 1.00 0.00 O ATOM 70 CB PRO A 8 0.862 -4.451 -7.742 1.00 0.00 C ATOM 71 CG PRO A 8 -0.014 -3.914 -8.861 1.00 0.00 C ATOM 72 CD PRO A 8 -0.720 -5.094 -9.508 1.00 0.00 C ATOM 0 HA PRO A 8 1.259 -6.530 -7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.753 -3.851 -6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.915 -4.419 -8.021 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.741 -3.203 -8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.589 -3.381 -9.596 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.802 -4.961 -9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.421 -5.212 -10.549 1.00 0.00 H new ATOM 80 N ILE A 9 -1.776 -5.858 -6.478 1.00 0.00 N ATOM 81 CA ILE A 9 -2.734 -5.969 -5.391 1.00 0.00 C ATOM 82 C ILE A 9 -2.701 -7.392 -4.830 1.00 0.00 C ATOM 83 O ILE A 9 -2.301 -7.603 -3.686 1.00 0.00 O ATOM 84 CB ILE A 9 -4.123 -5.523 -5.854 1.00 0.00 C ATOM 85 CG1 ILE A 9 -4.048 -4.196 -6.612 1.00 0.00 C ATOM 86 CG2 ILE A 9 -5.098 -5.456 -4.676 1.00 0.00 C ATOM 87 CD1 ILE A 9 -3.276 -3.148 -5.808 1.00 0.00 C ATOM 0 H ILE A 9 -2.185 -5.643 -7.387 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.464 -5.298 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.508 -6.269 -6.549 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.562 -4.350 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.055 -3.833 -6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.077 -5.137 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.182 -6.441 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.730 -4.743 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.238 -2.214 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.778 -2.978 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.262 -3.504 -5.626 1.00 0.00 H new ATOM 99 N SER A 10 -3.125 -8.332 -5.662 1.00 0.00 N ATOM 100 CA SER A 10 -3.148 -9.729 -5.263 1.00 0.00 C ATOM 101 C SER A 10 -1.768 -10.151 -4.755 1.00 0.00 C ATOM 102 O SER A 10 -1.638 -10.635 -3.632 1.00 0.00 O ATOM 103 CB SER A 10 -3.584 -10.626 -6.424 1.00 0.00 C ATOM 104 OG SER A 10 -4.806 -11.304 -6.145 1.00 0.00 O ATOM 0 H SER A 10 -3.455 -8.154 -6.610 1.00 0.00 H new ATOM 0 HA SER A 10 -3.874 -9.843 -4.458 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.702 -10.023 -7.324 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.803 -11.357 -6.630 1.00 0.00 H new ATOM 0 HG SER A 10 -5.051 -11.865 -6.910 1.00 0.00 H new ATOM 110 N ARG A 11 -0.773 -9.953 -5.607 1.00 0.00 N ATOM 111 CA ARG A 11 0.592 -10.307 -5.259 1.00 0.00 C ATOM 112 C ARG A 11 0.893 -9.902 -3.815 1.00 0.00 C ATOM 113 O ARG A 11 1.600 -10.613 -3.101 1.00 0.00 O ATOM 114 CB ARG A 11 1.594 -9.625 -6.193 1.00 0.00 C ATOM 115 CG ARG A 11 2.984 -10.247 -6.054 1.00 0.00 C ATOM 116 CD ARG A 11 3.920 -9.751 -7.158 1.00 0.00 C ATOM 117 NE ARG A 11 5.317 -9.740 -6.671 1.00 0.00 N ATOM 118 CZ ARG A 11 6.127 -10.808 -6.689 1.00 0.00 C ATOM 119 NH1 ARG A 11 5.683 -11.978 -7.169 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.380 -10.707 -6.226 1.00 0.00 N ATOM 0 H ARG A 11 -0.885 -9.552 -6.538 1.00 0.00 H new ATOM 0 HA ARG A 11 0.692 -11.387 -5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.254 -9.714 -7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.644 -8.560 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.402 -9.998 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.906 -11.333 -6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.837 -10.395 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.627 -8.749 -7.471 1.00 0.00 H new ATOM 0 HE ARG A 11 5.687 -8.865 -6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.729 -12.056 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.299 -12.791 -7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.718 -9.817 -5.860 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.996 -11.520 -6.240 1.00 0.00 H new ATOM 134 N LEU A 12 0.343 -8.762 -3.427 1.00 0.00 N ATOM 135 CA LEU A 12 0.544 -8.253 -2.080 1.00 0.00 C ATOM 136 C LEU A 12 -0.326 -9.048 -1.104 1.00 0.00 C ATOM 137 O LEU A 12 0.158 -9.516 -0.075 1.00 0.00 O ATOM 138 CB LEU A 12 0.297 -6.744 -2.035 1.00 0.00 C ATOM 139 CG LEU A 12 1.139 -5.957 -1.029 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.450 -4.646 -0.645 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.470 -6.811 0.197 1.00 0.00 C ATOM 0 H LEU A 12 -0.242 -8.175 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 12 1.580 -8.392 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.479 -6.336 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.756 -6.575 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 12 2.085 -5.697 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.069 -4.106 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.309 -4.035 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.519 -4.862 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.069 -6.227 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.546 -7.123 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.031 -7.692 -0.114 1.00 0.00 H new ATOM 153 N ALA A 13 -1.596 -9.177 -1.463 1.00 0.00 N ATOM 154 CA ALA A 13 -2.537 -9.907 -0.632 1.00 0.00 C ATOM 155 C ALA A 13 -2.040 -11.342 -0.444 1.00 0.00 C ATOM 156 O ALA A 13 -2.114 -11.889 0.655 1.00 0.00 O ATOM 157 CB ALA A 13 -3.929 -9.850 -1.266 1.00 0.00 C ATOM 0 H ALA A 13 -1.994 -8.788 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.609 -9.452 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.636 -10.398 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.248 -8.811 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.896 -10.300 -2.258 1.00 0.00 H new ATOM 163 N GLN A 14 -1.545 -11.909 -1.534 1.00 0.00 N ATOM 164 CA GLN A 14 -1.035 -13.270 -1.504 1.00 0.00 C ATOM 165 C GLN A 14 0.120 -13.382 -0.507 1.00 0.00 C ATOM 166 O GLN A 14 0.332 -14.437 0.087 1.00 0.00 O ATOM 167 CB GLN A 14 -0.602 -13.724 -2.899 1.00 0.00 C ATOM 168 CG GLN A 14 -1.810 -14.155 -3.734 1.00 0.00 C ATOM 169 CD GLN A 14 -1.472 -15.373 -4.598 1.00 0.00 C ATOM 170 OE1 GLN A 14 -1.412 -16.499 -4.132 1.00 0.00 O ATOM 171 NE2 GLN A 14 -1.256 -15.084 -5.878 1.00 0.00 N ATOM 0 H GLN A 14 -1.486 -11.451 -2.444 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.837 -13.931 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.078 -12.912 -3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.101 -14.553 -2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.646 -14.392 -3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.130 -13.330 -4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.323 -14.119 -6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.024 -15.827 -6.537 1.00 0.00 H new ATOM 180 N ILE A 15 0.838 -12.278 -0.356 1.00 0.00 N ATOM 181 CA ILE A 15 1.967 -12.239 0.558 1.00 0.00 C ATOM 182 C ILE A 15 1.452 -12.105 1.993 1.00 0.00 C ATOM 183 O ILE A 15 2.003 -12.707 2.913 1.00 0.00 O ATOM 184 CB ILE A 15 2.948 -11.137 0.152 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.597 -11.452 -1.198 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.989 -10.899 1.247 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.150 -10.183 -1.849 1.00 0.00 C ATOM 0 H ILE A 15 0.660 -11.404 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 15 2.531 -13.171 0.506 1.00 0.00 H new ATOM 0 HB ILE A 15 2.389 -10.209 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.402 -12.174 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.864 -11.914 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.674 -10.111 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.487 -10.598 2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.549 -11.818 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.606 -10.434 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.339 -9.473 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.900 -9.736 -1.196 1.00 0.00 H new ATOM 199 N GLN A 16 0.401 -11.312 2.138 1.00 0.00 N ATOM 200 CA GLN A 16 -0.195 -11.091 3.445 1.00 0.00 C ATOM 201 C GLN A 16 -0.813 -12.388 3.972 1.00 0.00 C ATOM 202 O GLN A 16 -0.724 -12.683 5.163 1.00 0.00 O ATOM 203 CB GLN A 16 -1.235 -9.970 3.391 1.00 0.00 C ATOM 204 CG GLN A 16 -0.600 -8.654 2.939 1.00 0.00 C ATOM 205 CD GLN A 16 0.724 -8.406 3.666 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.712 -7.987 3.086 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.688 -8.687 4.966 1.00 0.00 N ATOM 0 H GLN A 16 -0.053 -10.814 1.372 1.00 0.00 H new ATOM 0 HA GLN A 16 0.591 -10.780 4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.036 -10.245 2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.687 -9.841 4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.429 -8.679 1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.286 -7.829 3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.173 -9.035 5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.521 -8.555 5.540 1.00 0.00 H new ATOM 216 N GLN A 17 -1.426 -13.127 3.060 1.00 0.00 N ATOM 217 CA GLN A 17 -2.059 -14.385 3.418 1.00 0.00 C ATOM 218 C GLN A 17 -1.004 -15.480 3.588 1.00 0.00 C ATOM 219 O GLN A 17 -1.081 -16.283 4.518 1.00 0.00 O ATOM 220 CB GLN A 17 -3.105 -14.789 2.378 1.00 0.00 C ATOM 221 CG GLN A 17 -2.474 -15.619 1.259 1.00 0.00 C ATOM 222 CD GLN A 17 -3.520 -16.020 0.216 1.00 0.00 C ATOM 223 OE1 GLN A 17 -4.670 -16.286 0.524 1.00 0.00 O ATOM 224 NE2 GLN A 17 -3.058 -16.050 -1.030 1.00 0.00 N ATOM 0 H GLN A 17 -1.498 -12.879 2.073 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.574 -14.252 4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.898 -15.363 2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.568 -13.896 1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.679 -15.046 0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.014 -16.513 1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.083 -15.816 -1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.678 -16.307 -1.798 1.00 0.00 H new ATOM 233 N ALA A 18 -0.043 -15.478 2.677 1.00 0.00 N ATOM 234 CA ALA A 18 1.026 -16.462 2.714 1.00 0.00 C ATOM 235 C ALA A 18 1.883 -16.230 3.960 1.00 0.00 C ATOM 236 O ALA A 18 2.511 -17.158 4.468 1.00 0.00 O ATOM 237 CB ALA A 18 1.842 -16.379 1.422 1.00 0.00 C ATOM 0 H ALA A 18 0.018 -14.811 1.908 1.00 0.00 H new ATOM 0 HA ALA A 18 0.617 -17.470 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.644 -17.117 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.194 -16.579 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.270 -15.381 1.326 1.00 0.00 H new ATOM 243 N ARG A 19 1.881 -14.986 4.417 1.00 0.00 N ATOM 244 CA ARG A 19 2.651 -14.621 5.595 1.00 0.00 C ATOM 245 C ARG A 19 1.888 -14.999 6.866 1.00 0.00 C ATOM 246 O ARG A 19 2.483 -15.134 7.934 1.00 0.00 O ATOM 247 CB ARG A 19 2.948 -13.120 5.614 1.00 0.00 C ATOM 248 CG ARG A 19 4.203 -12.799 4.800 1.00 0.00 C ATOM 249 CD ARG A 19 4.562 -11.316 4.908 1.00 0.00 C ATOM 250 NE ARG A 19 6.022 -11.161 5.094 1.00 0.00 N ATOM 251 CZ ARG A 19 6.638 -11.214 6.283 1.00 0.00 C ATOM 252 NH1 ARG A 19 5.923 -11.418 7.399 1.00 0.00 N ATOM 253 NH2 ARG A 19 7.967 -11.063 6.357 1.00 0.00 N ATOM 0 H ARG A 19 1.359 -14.219 3.994 1.00 0.00 H new ATOM 0 HA ARG A 19 3.594 -15.167 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.097 -12.572 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.082 -12.785 6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.036 -13.405 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.040 -13.062 3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.244 -10.790 4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.030 -10.865 5.746 1.00 0.00 H new ATOM 0 HE ARG A 19 6.595 -11.004 4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.911 -11.533 7.343 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.391 -11.458 8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.511 -10.908 5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.435 -11.103 7.262 1.00 0.00 H new ATOM 267 N LYS A 20 0.582 -15.160 6.709 1.00 0.00 N ATOM 268 CA LYS A 20 -0.268 -15.520 7.830 1.00 0.00 C ATOM 269 C LYS A 20 -0.310 -14.360 8.826 1.00 0.00 C ATOM 270 O LYS A 20 -0.468 -14.573 10.027 1.00 0.00 O ATOM 271 CB LYS A 20 0.191 -16.843 8.447 1.00 0.00 C ATOM 272 CG LYS A 20 -0.298 -18.033 7.618 1.00 0.00 C ATOM 273 CD LYS A 20 -1.277 -18.894 8.419 1.00 0.00 C ATOM 274 CE LYS A 20 -1.627 -20.176 7.661 1.00 0.00 C ATOM 275 NZ LYS A 20 -3.092 -20.383 7.639 1.00 0.00 N ATOM 0 H LYS A 20 0.092 -15.047 5.821 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.291 -15.689 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.279 -16.861 8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.188 -16.924 9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.783 -17.674 6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.553 -18.638 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.839 -19.146 9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.186 -18.326 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.247 -20.117 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.141 -21.029 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.311 -21.257 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.446 -20.460 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.549 -19.577 7.167 1.00 0.00 H new ATOM 289 N GLU A 21 -0.164 -13.156 8.291 1.00 0.00 N ATOM 290 CA GLU A 21 -0.184 -11.962 9.117 1.00 0.00 C ATOM 291 C GLU A 21 -1.554 -11.286 9.042 1.00 0.00 C ATOM 292 O GLU A 21 -2.361 -11.407 9.963 1.00 0.00 O ATOM 293 CB GLU A 21 0.928 -10.994 8.708 1.00 0.00 C ATOM 294 CG GLU A 21 2.307 -11.626 8.908 1.00 0.00 C ATOM 295 CD GLU A 21 2.664 -11.703 10.394 1.00 0.00 C ATOM 296 OE1 GLU A 21 2.918 -10.625 10.974 1.00 0.00 O ATOM 297 OE2 GLU A 21 2.674 -12.839 10.916 1.00 0.00 O ATOM 0 H GLU A 21 -0.031 -12.983 7.295 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.003 -12.257 10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.802 -10.711 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.854 -10.080 9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.319 -12.626 8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.059 -11.041 8.379 1.00 0.00 H new ATOM 304 N LYS A 22 -1.776 -10.590 7.937 1.00 0.00 N ATOM 305 CA LYS A 22 -3.035 -9.895 7.729 1.00 0.00 C ATOM 306 C LYS A 22 -2.999 -9.175 6.380 1.00 0.00 C ATOM 307 O LYS A 22 -2.029 -8.486 6.066 1.00 0.00 O ATOM 308 CB LYS A 22 -3.338 -8.972 8.911 1.00 0.00 C ATOM 309 CG LYS A 22 -4.835 -8.962 9.229 1.00 0.00 C ATOM 310 CD LYS A 22 -5.168 -9.963 10.337 1.00 0.00 C ATOM 311 CE LYS A 22 -4.629 -9.485 11.687 1.00 0.00 C ATOM 312 NZ LYS A 22 -5.153 -10.331 12.782 1.00 0.00 N ATOM 0 H LYS A 22 -1.105 -10.492 7.175 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.860 -10.606 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.779 -9.301 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.004 -7.960 8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.138 -7.961 9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.403 -9.206 8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.248 -10.096 10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.740 -10.936 10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.540 -9.518 11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.915 -8.446 11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.778 -9.994 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.192 -10.278 12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.858 -11.317 12.630 1.00 0.00 H new ATOM 326 N GLU A 23 -4.067 -9.359 5.618 1.00 0.00 N ATOM 327 CA GLU A 23 -4.169 -8.735 4.310 1.00 0.00 C ATOM 328 C GLU A 23 -3.761 -7.263 4.391 1.00 0.00 C ATOM 329 O GLU A 23 -3.720 -6.684 5.475 1.00 0.00 O ATOM 330 CB GLU A 23 -5.583 -8.881 3.742 1.00 0.00 C ATOM 331 CG GLU A 23 -6.374 -7.581 3.899 1.00 0.00 C ATOM 332 CD GLU A 23 -7.880 -7.850 3.878 1.00 0.00 C ATOM 333 OE1 GLU A 23 -8.405 -8.223 4.949 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.472 -7.676 2.791 1.00 0.00 O ATOM 0 H GLU A 23 -4.869 -9.931 5.881 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.485 -9.245 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.529 -9.153 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.103 -9.691 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.101 -7.096 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.113 -6.893 3.095 1.00 0.00 H new ATOM 341 N PRO A 24 -3.460 -6.684 3.197 1.00 0.00 N ATOM 342 CA PRO A 24 -3.056 -5.290 3.122 1.00 0.00 C ATOM 343 C PRO A 24 -4.257 -4.360 3.311 1.00 0.00 C ATOM 344 O PRO A 24 -5.368 -4.683 2.894 1.00 0.00 O ATOM 345 CB PRO A 24 -2.400 -5.143 1.759 1.00 0.00 C ATOM 346 CG PRO A 24 -2.872 -6.332 0.939 1.00 0.00 C ATOM 347 CD PRO A 24 -3.497 -7.338 1.893 1.00 0.00 C ATOM 0 HA PRO A 24 -2.363 -5.010 3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.688 -4.204 1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.314 -5.136 1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.597 -6.015 0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.036 -6.782 0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.519 -7.580 1.600 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.938 -8.274 1.903 1.00 0.00 H new ATOM 355 N ASP A 25 -3.992 -3.224 3.939 1.00 0.00 N ATOM 356 CA ASP A 25 -5.036 -2.245 4.188 1.00 0.00 C ATOM 357 C ASP A 25 -4.798 -1.016 3.308 1.00 0.00 C ATOM 358 O ASP A 25 -3.903 -0.218 3.580 1.00 0.00 O ATOM 359 CB ASP A 25 -5.028 -1.789 5.648 1.00 0.00 C ATOM 360 CG ASP A 25 -6.293 -2.127 6.439 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.318 -2.404 5.778 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.207 -2.101 7.685 1.00 0.00 O ATOM 0 H ASP A 25 -3.069 -2.960 4.283 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.995 -2.711 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.173 -2.242 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.879 -0.710 5.675 1.00 0.00 H new ATOM 367 N TYR A 26 -5.615 -0.904 2.270 1.00 0.00 N ATOM 368 CA TYR A 26 -5.504 0.214 1.349 1.00 0.00 C ATOM 369 C TYR A 26 -6.326 1.409 1.835 1.00 0.00 C ATOM 370 O TYR A 26 -7.471 1.250 2.256 1.00 0.00 O ATOM 371 CB TYR A 26 -6.078 -0.278 0.019 1.00 0.00 C ATOM 372 CG TYR A 26 -5.145 -1.211 -0.755 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.180 -0.685 -1.591 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.267 -2.578 -0.617 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.302 -1.563 -2.319 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.388 -3.457 -1.346 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.449 -2.906 -2.161 1.00 0.00 C ATOM 378 OH TYR A 26 -2.619 -3.735 -2.848 1.00 0.00 O ATOM 0 H TYR A 26 -6.356 -1.569 2.047 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.467 0.539 1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.017 -0.797 0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.312 0.584 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.084 0.385 -1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.021 -2.990 0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.543 -1.164 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.473 -4.529 -1.247 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.785 -4.662 -2.577 1.00 0.00 H new ATOM 388 N ILE A 27 -5.710 2.580 1.761 1.00 0.00 N ATOM 389 CA ILE A 27 -6.371 3.802 2.188 1.00 0.00 C ATOM 390 C ILE A 27 -6.157 4.888 1.132 1.00 0.00 C ATOM 391 O ILE A 27 -5.030 5.126 0.700 1.00 0.00 O ATOM 392 CB ILE A 27 -5.901 4.203 3.587 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.760 2.977 4.491 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.827 5.259 4.194 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.304 2.513 4.561 1.00 0.00 C ATOM 0 H ILE A 27 -4.760 2.708 1.412 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.447 3.645 2.271 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.912 4.653 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.118 3.216 5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.386 2.168 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.471 5.527 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.833 6.145 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.838 4.858 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.231 1.640 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.957 2.252 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.685 3.316 4.962 1.00 0.00 H new ATOM 407 N LEU A 28 -7.257 5.518 0.746 1.00 0.00 N ATOM 408 CA LEU A 28 -7.204 6.573 -0.251 1.00 0.00 C ATOM 409 C LEU A 28 -6.712 7.865 0.405 1.00 0.00 C ATOM 410 O LEU A 28 -7.363 8.396 1.304 1.00 0.00 O ATOM 411 CB LEU A 28 -8.557 6.716 -0.952 1.00 0.00 C ATOM 412 CG LEU A 28 -8.593 7.663 -2.154 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.055 6.974 -3.410 1.00 0.00 C ATOM 414 CD2 LEU A 28 -9.999 8.226 -2.366 1.00 0.00 C ATOM 0 H LEU A 28 -8.190 5.318 1.106 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.490 6.321 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.879 5.728 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.288 7.061 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.937 8.508 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.091 7.668 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.024 6.663 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.666 6.100 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.997 8.896 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.696 7.407 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.308 8.777 -1.478 1.00 0.00 H new ATOM 426 N LEU A 29 -5.567 8.333 -0.069 1.00 0.00 N ATOM 427 CA LEU A 29 -4.980 9.552 0.460 1.00 0.00 C ATOM 428 C LEU A 29 -5.777 10.757 -0.044 1.00 0.00 C ATOM 429 O LEU A 29 -6.364 11.492 0.749 1.00 0.00 O ATOM 430 CB LEU A 29 -3.489 9.618 0.125 1.00 0.00 C ATOM 431 CG LEU A 29 -2.577 8.699 0.941 1.00 0.00 C ATOM 432 CD1 LEU A 29 -1.107 9.079 0.755 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.985 8.690 2.415 1.00 0.00 C ATOM 0 H LEU A 29 -5.030 7.890 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.039 9.562 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.363 9.378 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.152 10.646 0.261 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.696 7.682 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.481 8.410 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.839 8.991 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.952 10.106 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.321 8.029 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.914 9.700 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.011 8.334 2.506 1.00 0.00 H new ATOM 445 N SER A 30 -5.772 10.922 -1.358 1.00 0.00 N ATOM 446 CA SER A 30 -6.487 12.025 -1.977 1.00 0.00 C ATOM 447 C SER A 30 -6.601 11.795 -3.485 1.00 0.00 C ATOM 448 O SER A 30 -6.196 10.749 -3.989 1.00 0.00 O ATOM 449 CB SER A 30 -5.793 13.359 -1.694 1.00 0.00 C ATOM 450 OG SER A 30 -6.194 13.916 -0.446 1.00 0.00 O ATOM 0 H SER A 30 -5.284 10.310 -2.012 1.00 0.00 H new ATOM 0 HA SER A 30 -7.487 12.068 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.713 13.213 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.020 14.063 -2.495 1.00 0.00 H new ATOM 0 HG SER A 30 -6.363 13.194 0.195 1.00 0.00 H new ATOM 456 N GLU A 31 -7.153 12.790 -4.163 1.00 0.00 N ATOM 457 CA GLU A 31 -7.325 12.710 -5.604 1.00 0.00 C ATOM 458 C GLU A 31 -7.174 14.095 -6.235 1.00 0.00 C ATOM 459 O GLU A 31 -8.107 14.897 -6.211 1.00 0.00 O ATOM 460 CB GLU A 31 -8.677 12.089 -5.961 1.00 0.00 C ATOM 461 CG GLU A 31 -8.827 10.702 -5.331 1.00 0.00 C ATOM 462 CD GLU A 31 -10.237 10.150 -5.551 1.00 0.00 C ATOM 463 OE1 GLU A 31 -11.183 10.963 -5.474 1.00 0.00 O ATOM 464 OE2 GLU A 31 -10.336 8.927 -5.791 1.00 0.00 O ATOM 0 H GLU A 31 -7.487 13.656 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.547 12.062 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.482 12.738 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.771 12.013 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.094 10.021 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.617 10.759 -4.263 1.00 0.00 H new ATOM 605 N GLU A 39 -4.460 12.767 -10.571 1.00 0.00 N ATOM 606 CA GLU A 39 -3.528 11.952 -9.810 1.00 0.00 C ATOM 607 C GLU A 39 -4.177 11.481 -8.507 1.00 0.00 C ATOM 608 O GLU A 39 -4.443 12.285 -7.616 1.00 0.00 O ATOM 609 CB GLU A 39 -2.231 12.714 -9.533 1.00 0.00 C ATOM 610 CG GLU A 39 -1.011 11.818 -9.751 1.00 0.00 C ATOM 611 CD GLU A 39 -0.273 12.199 -11.036 1.00 0.00 C ATOM 612 OE1 GLU A 39 0.197 13.355 -11.099 1.00 0.00 O ATOM 613 OE2 GLU A 39 -0.195 11.324 -11.926 1.00 0.00 O ATOM 0 HA GLU A 39 -3.274 11.075 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.169 13.584 -10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.235 13.086 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.335 11.904 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.326 10.776 -9.804 1.00 0.00 H new ATOM 620 N PHE A 40 -4.412 10.179 -8.437 1.00 0.00 N ATOM 621 CA PHE A 40 -5.024 9.591 -7.258 1.00 0.00 C ATOM 622 C PHE A 40 -3.963 9.013 -6.320 1.00 0.00 C ATOM 623 O PHE A 40 -3.201 8.129 -6.708 1.00 0.00 O ATOM 624 CB PHE A 40 -5.931 8.458 -7.742 1.00 0.00 C ATOM 625 CG PHE A 40 -7.214 8.937 -8.424 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.151 9.559 -9.632 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.418 8.740 -7.823 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.342 10.003 -10.265 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.609 9.184 -8.456 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.546 9.806 -9.664 1.00 0.00 C ATOM 0 H PHE A 40 -4.189 9.515 -9.178 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.580 10.351 -6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.373 7.832 -8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.196 7.830 -6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.195 9.715 -10.110 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.468 8.246 -6.864 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.292 10.497 -11.224 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.565 9.028 -7.978 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.452 10.143 -10.146 1.00 0.00 H new ATOM 640 N VAL A 41 -3.947 9.536 -5.102 1.00 0.00 N ATOM 641 CA VAL A 41 -2.992 9.082 -4.105 1.00 0.00 C ATOM 642 C VAL A 41 -3.592 7.912 -3.325 1.00 0.00 C ATOM 643 O VAL A 41 -4.687 8.024 -2.775 1.00 0.00 O ATOM 644 CB VAL A 41 -2.579 10.250 -3.207 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.435 9.847 -2.274 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.199 11.476 -4.042 1.00 0.00 C ATOM 0 H VAL A 41 -4.580 10.270 -4.783 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.083 8.720 -4.584 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.437 10.517 -2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.161 10.695 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.755 9.018 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.573 9.540 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.910 12.292 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.364 11.226 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.053 11.784 -4.645 1.00 0.00 H new ATOM 656 N MET A 42 -2.850 6.814 -3.302 1.00 0.00 N ATOM 657 CA MET A 42 -3.295 5.624 -2.598 1.00 0.00 C ATOM 658 C MET A 42 -2.271 5.193 -1.546 1.00 0.00 C ATOM 659 O MET A 42 -1.071 5.399 -1.722 1.00 0.00 O ATOM 660 CB MET A 42 -3.507 4.487 -3.600 1.00 0.00 C ATOM 661 CG MET A 42 -4.952 3.986 -3.562 1.00 0.00 C ATOM 662 SD MET A 42 -5.232 3.043 -2.072 1.00 0.00 S ATOM 663 CE MET A 42 -6.966 2.664 -2.266 1.00 0.00 C ATOM 0 H MET A 42 -1.943 6.724 -3.760 1.00 0.00 H new ATOM 0 HA MET A 42 -4.233 5.854 -2.092 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.264 4.833 -4.605 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.827 3.666 -3.373 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.640 4.831 -3.602 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.155 3.368 -4.437 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.513 3.000 -1.385 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.353 3.173 -3.149 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.092 1.588 -2.383 1.00 0.00 H new ATOM 673 N GLN A 43 -2.782 4.603 -0.475 1.00 0.00 N ATOM 674 CA GLN A 43 -1.926 4.142 0.604 1.00 0.00 C ATOM 675 C GLN A 43 -2.164 2.654 0.871 1.00 0.00 C ATOM 676 O GLN A 43 -3.252 2.140 0.617 1.00 0.00 O ATOM 677 CB GLN A 43 -2.149 4.968 1.872 1.00 0.00 C ATOM 678 CG GLN A 43 -0.913 4.935 2.773 1.00 0.00 C ATOM 679 CD GLN A 43 -1.051 5.927 3.930 1.00 0.00 C ATOM 680 OE1 GLN A 43 -0.281 6.862 4.074 1.00 0.00 O ATOM 681 NE2 GLN A 43 -2.072 5.672 4.743 1.00 0.00 N ATOM 0 H GLN A 43 -3.778 4.434 -0.332 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.888 4.276 0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.380 5.999 1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -3.010 4.580 2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.773 3.928 3.167 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.025 5.175 2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.679 4.872 4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.249 6.277 5.545 1.00 0.00 H new ATOM 690 N VAL A 44 -1.127 2.004 1.380 1.00 0.00 N ATOM 691 CA VAL A 44 -1.210 0.585 1.684 1.00 0.00 C ATOM 692 C VAL A 44 -0.504 0.311 3.013 1.00 0.00 C ATOM 693 O VAL A 44 0.651 0.692 3.197 1.00 0.00 O ATOM 694 CB VAL A 44 -0.638 -0.233 0.523 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.845 0.078 0.312 1.00 0.00 C ATOM 696 CG2 VAL A 44 -0.859 -1.730 0.747 1.00 0.00 C ATOM 0 H VAL A 44 -0.226 2.433 1.589 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.250 0.279 1.799 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.172 0.052 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.227 -0.516 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.966 1.137 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.400 -0.165 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.444 -2.289 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.364 -2.037 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.927 -1.933 0.824 1.00 0.00 H new ATOM 706 N LYS A 45 -1.228 -0.348 3.906 1.00 0.00 N ATOM 707 CA LYS A 45 -0.685 -0.678 5.213 1.00 0.00 C ATOM 708 C LYS A 45 -0.617 -2.199 5.363 1.00 0.00 C ATOM 709 O LYS A 45 -1.638 -2.881 5.291 1.00 0.00 O ATOM 710 CB LYS A 45 -1.489 0.013 6.316 1.00 0.00 C ATOM 711 CG LYS A 45 -0.606 0.318 7.528 1.00 0.00 C ATOM 712 CD LYS A 45 -1.444 0.831 8.701 1.00 0.00 C ATOM 713 CE LYS A 45 -1.379 2.357 8.794 1.00 0.00 C ATOM 714 NZ LYS A 45 -2.254 2.848 9.883 1.00 0.00 N ATOM 0 H LYS A 45 -2.186 -0.662 3.750 1.00 0.00 H new ATOM 0 HA LYS A 45 0.334 -0.302 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.919 0.938 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.321 -0.624 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.068 -0.582 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.143 1.062 7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.480 0.514 8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.083 0.391 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.352 2.673 8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.686 2.798 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.198 3.885 9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.236 2.563 9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.943 2.441 10.788 1.00 0.00 H new ATOM 728 N VAL A 46 0.598 -2.687 5.568 1.00 0.00 N ATOM 729 CA VAL A 46 0.813 -4.115 5.729 1.00 0.00 C ATOM 730 C VAL A 46 1.611 -4.366 7.010 1.00 0.00 C ATOM 731 O VAL A 46 2.797 -4.046 7.080 1.00 0.00 O ATOM 732 CB VAL A 46 1.491 -4.686 4.482 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.384 -5.876 4.839 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.456 -5.076 3.425 1.00 0.00 C ATOM 0 H VAL A 46 1.443 -2.119 5.626 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.140 -4.635 5.832 1.00 0.00 H new ATOM 0 HB VAL A 46 2.125 -3.906 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.854 -6.263 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.155 -5.555 5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.780 -6.659 5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.965 -5.479 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.215 -5.831 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.120 -4.196 3.138 1.00 0.00 H new ATOM 744 N GLY A 47 0.928 -4.934 7.993 1.00 0.00 N ATOM 745 CA GLY A 47 1.559 -5.231 9.268 1.00 0.00 C ATOM 746 C GLY A 47 2.128 -3.963 9.906 1.00 0.00 C ATOM 747 O GLY A 47 1.385 -3.155 10.461 1.00 0.00 O ATOM 0 H GLY A 47 -0.056 -5.196 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.832 -5.686 9.941 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.357 -5.959 9.122 1.00 0.00 H new ATOM 751 N ASN A 48 3.442 -3.827 9.806 1.00 0.00 N ATOM 752 CA ASN A 48 4.120 -2.670 10.367 1.00 0.00 C ATOM 753 C ASN A 48 4.806 -1.892 9.242 1.00 0.00 C ATOM 754 O ASN A 48 5.813 -1.224 9.470 1.00 0.00 O ATOM 755 CB ASN A 48 5.194 -3.095 11.371 1.00 0.00 C ATOM 756 CG ASN A 48 5.086 -2.284 12.664 1.00 0.00 C ATOM 757 OD1 ASN A 48 4.062 -1.698 12.977 1.00 0.00 O ATOM 758 ND2 ASN A 48 6.196 -2.284 13.396 1.00 0.00 N ATOM 0 H ASN A 48 4.056 -4.499 9.345 1.00 0.00 H new ATOM 0 HA ASN A 48 3.376 -2.055 10.873 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.089 -4.157 11.594 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.182 -2.957 10.932 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.225 -1.772 14.278 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.018 -2.796 13.076 1.00 0.00 H new ATOM 765 N GLU A 49 4.232 -2.004 8.053 1.00 0.00 N ATOM 766 CA GLU A 49 4.776 -1.319 6.893 1.00 0.00 C ATOM 767 C GLU A 49 3.679 -0.519 6.187 1.00 0.00 C ATOM 768 O GLU A 49 2.500 -0.859 6.280 1.00 0.00 O ATOM 769 CB GLU A 49 5.437 -2.309 5.931 1.00 0.00 C ATOM 770 CG GLU A 49 6.961 -2.271 6.068 1.00 0.00 C ATOM 771 CD GLU A 49 7.600 -1.555 4.876 1.00 0.00 C ATOM 772 OE1 GLU A 49 7.502 -0.309 4.844 1.00 0.00 O ATOM 773 OE2 GLU A 49 8.172 -2.269 4.025 1.00 0.00 O ATOM 0 H GLU A 49 3.396 -2.559 7.868 1.00 0.00 H new ATOM 0 HA GLU A 49 5.545 -0.625 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.075 -3.317 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.154 -2.070 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.234 -1.762 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.349 -3.287 6.137 1.00 0.00 H new ATOM 780 N VAL A 50 4.106 0.528 5.497 1.00 0.00 N ATOM 781 CA VAL A 50 3.175 1.380 4.776 1.00 0.00 C ATOM 782 C VAL A 50 3.790 1.778 3.433 1.00 0.00 C ATOM 783 O VAL A 50 5.004 1.944 3.327 1.00 0.00 O ATOM 784 CB VAL A 50 2.791 2.584 5.638 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.523 3.845 5.175 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.276 2.797 5.638 1.00 0.00 C ATOM 0 H VAL A 50 5.084 0.806 5.422 1.00 0.00 H new ATOM 0 HA VAL A 50 2.251 0.842 4.564 1.00 0.00 H new ATOM 0 HB VAL A 50 3.099 2.375 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.232 4.686 5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.599 3.690 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.260 4.059 4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.030 3.659 6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.933 2.974 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.784 1.910 6.037 1.00 0.00 H new ATOM 796 N ALA A 51 2.923 1.919 2.440 1.00 0.00 N ATOM 797 CA ALA A 51 3.366 2.294 1.108 1.00 0.00 C ATOM 798 C ALA A 51 2.306 3.183 0.454 1.00 0.00 C ATOM 799 O ALA A 51 1.197 3.314 0.970 1.00 0.00 O ATOM 800 CB ALA A 51 3.655 1.033 0.291 1.00 0.00 C ATOM 0 H ALA A 51 1.917 1.780 2.532 1.00 0.00 H new ATOM 0 HA ALA A 51 4.291 2.868 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.987 1.315 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.435 0.452 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.748 0.432 0.216 1.00 0.00 H new ATOM 806 N THR A 52 2.684 3.770 -0.672 1.00 0.00 N ATOM 807 CA THR A 52 1.779 4.642 -1.401 1.00 0.00 C ATOM 808 C THR A 52 1.838 4.338 -2.900 1.00 0.00 C ATOM 809 O THR A 52 2.836 3.813 -3.392 1.00 0.00 O ATOM 810 CB THR A 52 2.140 6.089 -1.060 1.00 0.00 C ATOM 811 OG1 THR A 52 3.562 6.083 -0.981 1.00 0.00 O ATOM 812 CG2 THR A 52 1.689 6.489 0.346 1.00 0.00 C ATOM 0 H THR A 52 3.604 3.659 -1.097 1.00 0.00 H new ATOM 0 HA THR A 52 0.743 4.472 -1.107 1.00 0.00 H new ATOM 0 HB THR A 52 1.685 6.758 -1.791 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.881 6.984 -0.765 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.970 7.525 0.537 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.607 6.386 0.424 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.169 5.842 1.080 1.00 0.00 H new ATOM 820 N GLY A 53 0.756 4.680 -3.583 1.00 0.00 N ATOM 821 CA GLY A 53 0.672 4.450 -5.016 1.00 0.00 C ATOM 822 C GLY A 53 -0.061 5.598 -5.713 1.00 0.00 C ATOM 823 O GLY A 53 -0.978 6.190 -5.145 1.00 0.00 O ATOM 0 H GLY A 53 -0.070 5.115 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.675 4.349 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.151 3.512 -5.208 1.00 0.00 H new ATOM 827 N THR A 54 0.370 5.878 -6.934 1.00 0.00 N ATOM 828 CA THR A 54 -0.234 6.944 -7.715 1.00 0.00 C ATOM 829 C THR A 54 -0.549 6.456 -9.130 1.00 0.00 C ATOM 830 O THR A 54 0.016 5.465 -9.589 1.00 0.00 O ATOM 831 CB THR A 54 0.711 8.147 -7.683 1.00 0.00 C ATOM 832 OG1 THR A 54 1.929 7.646 -8.226 1.00 0.00 O ATOM 833 CG2 THR A 54 1.081 8.563 -6.258 1.00 0.00 C ATOM 0 H THR A 54 1.131 5.385 -7.402 1.00 0.00 H new ATOM 0 HA THR A 54 -1.190 7.252 -7.291 1.00 0.00 H new ATOM 0 HB THR A 54 0.246 8.988 -8.197 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.598 8.362 -8.244 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.753 9.421 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.177 8.832 -5.711 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.577 7.733 -5.754 1.00 0.00 H new ATOM 841 N GLY A 55 -1.451 7.175 -9.782 1.00 0.00 N ATOM 842 CA GLY A 55 -1.848 6.828 -11.136 1.00 0.00 C ATOM 843 C GLY A 55 -2.958 7.754 -11.637 1.00 0.00 C ATOM 844 O GLY A 55 -3.298 8.734 -10.977 1.00 0.00 O ATOM 0 H GLY A 55 -1.918 7.996 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.986 6.895 -11.800 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.192 5.794 -11.164 1.00 0.00 H new ATOM 848 N PRO A 56 -3.507 7.400 -12.830 1.00 0.00 N ATOM 849 CA PRO A 56 -4.572 8.188 -13.426 1.00 0.00 C ATOM 850 C PRO A 56 -5.901 7.950 -12.705 1.00 0.00 C ATOM 851 O PRO A 56 -6.756 8.833 -12.663 1.00 0.00 O ATOM 852 CB PRO A 56 -4.605 7.765 -14.886 1.00 0.00 C ATOM 853 CG PRO A 56 -3.878 6.431 -14.949 1.00 0.00 C ATOM 854 CD PRO A 56 -3.130 6.245 -13.639 1.00 0.00 C ATOM 0 HA PRO A 56 -4.400 9.261 -13.339 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.631 7.668 -15.242 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.117 8.506 -15.519 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.587 5.617 -15.103 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.185 6.413 -15.790 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.411 5.311 -13.152 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.053 6.209 -13.800 1.00 0.00 H new ATOM 862 N ASN A 57 -6.032 6.751 -12.156 1.00 0.00 N ATOM 863 CA ASN A 57 -7.242 6.385 -11.438 1.00 0.00 C ATOM 864 C ASN A 57 -6.864 5.630 -10.163 1.00 0.00 C ATOM 865 O ASN A 57 -5.865 4.914 -10.134 1.00 0.00 O ATOM 866 CB ASN A 57 -8.128 5.470 -12.285 1.00 0.00 C ATOM 867 CG ASN A 57 -7.349 4.892 -13.468 1.00 0.00 C ATOM 868 OD1 ASN A 57 -6.858 5.604 -14.328 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.264 3.565 -13.463 1.00 0.00 N ATOM 0 H ASN A 57 -5.321 6.021 -12.194 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.787 7.300 -11.205 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.513 4.658 -11.668 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.989 6.029 -12.651 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.764 3.083 -14.210 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.699 3.029 -12.712 1.00 0.00 H new ATOM 876 N LYS A 58 -7.684 5.816 -9.138 1.00 0.00 N ATOM 877 CA LYS A 58 -7.449 5.161 -7.863 1.00 0.00 C ATOM 878 C LYS A 58 -6.973 3.728 -8.110 1.00 0.00 C ATOM 879 O LYS A 58 -5.981 3.291 -7.530 1.00 0.00 O ATOM 880 CB LYS A 58 -8.693 5.252 -6.977 1.00 0.00 C ATOM 881 CG LYS A 58 -8.515 4.431 -5.697 1.00 0.00 C ATOM 882 CD LYS A 58 -9.797 3.671 -5.351 1.00 0.00 C ATOM 883 CE LYS A 58 -10.863 4.617 -4.795 1.00 0.00 C ATOM 884 NZ LYS A 58 -11.585 3.981 -3.671 1.00 0.00 N ATOM 0 H LYS A 58 -8.512 6.411 -9.165 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.657 5.670 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.887 6.294 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.563 4.892 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.693 3.726 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.245 5.090 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.179 3.171 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.577 2.895 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.396 5.542 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.567 4.884 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.305 4.637 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.047 3.110 -4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.912 3.748 -2.913 1.00 0.00 H new ATOM 898 N LYS A 59 -7.703 3.037 -8.973 1.00 0.00 N ATOM 899 CA LYS A 59 -7.368 1.663 -9.305 1.00 0.00 C ATOM 900 C LYS A 59 -5.851 1.535 -9.458 1.00 0.00 C ATOM 901 O LYS A 59 -5.175 1.014 -8.572 1.00 0.00 O ATOM 902 CB LYS A 59 -8.151 1.202 -10.535 1.00 0.00 C ATOM 903 CG LYS A 59 -9.462 0.525 -10.129 1.00 0.00 C ATOM 904 CD LYS A 59 -10.363 0.301 -11.345 1.00 0.00 C ATOM 905 CE LYS A 59 -11.426 1.396 -11.449 1.00 0.00 C ATOM 906 NZ LYS A 59 -12.449 1.032 -12.455 1.00 0.00 N ATOM 0 H LYS A 59 -8.525 3.403 -9.452 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.665 0.993 -8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.363 2.057 -11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.545 0.508 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.249 -0.430 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.982 1.141 -9.395 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.759 0.288 -12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.846 -0.673 -11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.899 1.545 -10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.957 2.341 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.163 1.786 -12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.996 0.912 -13.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.908 0.141 -12.177 1.00 0.00 H new ATOM 920 N ILE A 60 -5.360 2.020 -10.589 1.00 0.00 N ATOM 921 CA ILE A 60 -3.935 1.966 -10.871 1.00 0.00 C ATOM 922 C ILE A 60 -3.159 2.444 -9.642 1.00 0.00 C ATOM 923 O ILE A 60 -2.258 1.755 -9.165 1.00 0.00 O ATOM 924 CB ILE A 60 -3.611 2.748 -12.145 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.346 2.159 -13.351 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.100 2.820 -12.374 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.050 2.962 -14.619 1.00 0.00 C ATOM 0 H ILE A 60 -5.923 2.452 -11.321 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.624 0.940 -11.067 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.967 3.771 -12.019 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.044 1.122 -13.494 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.419 2.155 -13.161 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.897 3.381 -13.286 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.627 3.319 -11.528 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.698 1.811 -12.471 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.584 2.522 -15.461 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.375 3.993 -14.481 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.979 2.943 -14.820 1.00 0.00 H new ATOM 939 N ALA A 61 -3.537 3.621 -9.164 1.00 0.00 N ATOM 940 CA ALA A 61 -2.887 4.199 -8.000 1.00 0.00 C ATOM 941 C ALA A 61 -2.768 3.135 -6.907 1.00 0.00 C ATOM 942 O ALA A 61 -1.771 3.088 -6.188 1.00 0.00 O ATOM 943 CB ALA A 61 -3.672 5.428 -7.535 1.00 0.00 C ATOM 0 H ALA A 61 -4.285 4.190 -9.562 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.879 4.531 -8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.185 5.862 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.703 6.165 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.688 5.133 -7.274 1.00 0.00 H new ATOM 949 N LYS A 62 -3.799 2.309 -6.815 1.00 0.00 N ATOM 950 CA LYS A 62 -3.822 1.249 -5.822 1.00 0.00 C ATOM 951 C LYS A 62 -2.794 0.180 -6.198 1.00 0.00 C ATOM 952 O LYS A 62 -2.108 -0.359 -5.331 1.00 0.00 O ATOM 953 CB LYS A 62 -5.242 0.703 -5.653 1.00 0.00 C ATOM 954 CG LYS A 62 -5.350 -0.166 -4.398 1.00 0.00 C ATOM 955 CD LYS A 62 -5.760 -1.596 -4.756 1.00 0.00 C ATOM 956 CE LYS A 62 -7.279 -1.766 -4.679 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.680 -2.239 -3.335 1.00 0.00 N ATOM 0 H LYS A 62 -4.625 2.352 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.536 1.638 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.948 1.531 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.517 0.117 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.393 -0.178 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.081 0.265 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.414 -1.837 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.277 -2.298 -4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.769 -0.817 -4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.610 -2.478 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.996 -3.228 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.869 -2.173 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.457 -1.648 -2.977 1.00 0.00 H new ATOM 971 N LYS A 63 -2.719 -0.094 -7.492 1.00 0.00 N ATOM 972 CA LYS A 63 -1.786 -1.088 -7.994 1.00 0.00 C ATOM 973 C LYS A 63 -0.354 -0.600 -7.763 1.00 0.00 C ATOM 974 O LYS A 63 0.523 -1.384 -7.405 1.00 0.00 O ATOM 975 CB LYS A 63 -2.093 -1.423 -9.454 1.00 0.00 C ATOM 976 CG LYS A 63 -3.308 -2.347 -9.561 1.00 0.00 C ATOM 977 CD LYS A 63 -4.205 -1.941 -10.732 1.00 0.00 C ATOM 978 CE LYS A 63 -5.578 -1.483 -10.237 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.616 -2.477 -10.592 1.00 0.00 N ATOM 0 H LYS A 63 -3.289 0.355 -8.208 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.897 -2.024 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.280 -0.504 -10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.227 -1.901 -9.911 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.976 -3.377 -9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.878 -2.313 -8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.731 -1.138 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.323 -2.783 -11.414 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.554 -1.344 -9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.826 -0.517 -10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.542 -2.150 -10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.650 -2.589 -11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.386 -3.391 -10.152 1.00 0.00 H new ATOM 993 N ASN A 64 -0.162 0.693 -7.978 1.00 0.00 N ATOM 994 CA ASN A 64 1.147 1.296 -7.798 1.00 0.00 C ATOM 995 C ASN A 64 1.516 1.271 -6.313 1.00 0.00 C ATOM 996 O ASN A 64 2.695 1.252 -5.963 1.00 0.00 O ATOM 997 CB ASN A 64 1.152 2.754 -8.262 1.00 0.00 C ATOM 998 CG ASN A 64 1.456 2.852 -9.758 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.599 2.850 -10.187 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.374 2.939 -10.526 1.00 0.00 N ATOM 0 H ASN A 64 -0.892 1.340 -8.275 1.00 0.00 H new ATOM 0 HA ASN A 64 1.864 0.727 -8.391 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.184 3.209 -8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.897 3.316 -7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.472 3.010 -11.539 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.554 2.935 -10.102 1.00 0.00 H new ATOM 1007 N ALA A 65 0.485 1.272 -5.480 1.00 0.00 N ATOM 1008 CA ALA A 65 0.686 1.250 -4.041 1.00 0.00 C ATOM 1009 C ALA A 65 1.335 -0.077 -3.642 1.00 0.00 C ATOM 1010 O ALA A 65 2.397 -0.090 -3.021 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.652 1.480 -3.336 1.00 0.00 C ATOM 0 H ALA A 65 -0.492 1.288 -5.774 1.00 0.00 H new ATOM 0 HA ALA A 65 1.358 2.051 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.502 1.464 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.057 2.448 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.351 0.693 -3.617 1.00 0.00 H new ATOM 1017 N ALA A 66 0.670 -1.161 -4.014 1.00 0.00 N ATOM 1018 CA ALA A 66 1.169 -2.489 -3.702 1.00 0.00 C ATOM 1019 C ALA A 66 2.579 -2.647 -4.275 1.00 0.00 C ATOM 1020 O ALA A 66 3.482 -3.123 -3.588 1.00 0.00 O ATOM 1021 CB ALA A 66 0.198 -3.540 -4.245 1.00 0.00 C ATOM 0 H ALA A 66 -0.210 -1.146 -4.529 1.00 0.00 H new ATOM 0 HA ALA A 66 1.234 -2.631 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.572 -4.537 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.781 -3.403 -3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.110 -3.430 -5.326 1.00 0.00 H new ATOM 1027 N GLU A 67 2.723 -2.239 -5.527 1.00 0.00 N ATOM 1028 CA GLU A 67 4.008 -2.330 -6.200 1.00 0.00 C ATOM 1029 C GLU A 67 5.133 -1.901 -5.256 1.00 0.00 C ATOM 1030 O GLU A 67 5.994 -2.707 -4.904 1.00 0.00 O ATOM 1031 CB GLU A 67 4.017 -1.490 -7.479 1.00 0.00 C ATOM 1032 CG GLU A 67 5.046 -2.025 -8.478 1.00 0.00 C ATOM 1033 CD GLU A 67 5.210 -1.068 -9.661 1.00 0.00 C ATOM 1034 OE1 GLU A 67 5.728 0.045 -9.422 1.00 0.00 O ATOM 1035 OE2 GLU A 67 4.815 -1.471 -10.776 1.00 0.00 O ATOM 0 H GLU A 67 1.972 -1.845 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 67 4.174 -3.369 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.026 -1.500 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.246 -0.453 -7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.006 -2.161 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.733 -3.005 -8.839 1.00 0.00 H new ATOM 1042 N ALA A 68 5.090 -0.634 -4.872 1.00 0.00 N ATOM 1043 CA ALA A 68 6.095 -0.089 -3.975 1.00 0.00 C ATOM 1044 C ALA A 68 6.212 -0.987 -2.741 1.00 0.00 C ATOM 1045 O ALA A 68 7.301 -1.455 -2.411 1.00 0.00 O ATOM 1046 CB ALA A 68 5.730 1.352 -3.614 1.00 0.00 C ATOM 0 H ALA A 68 4.375 0.031 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 68 7.071 -0.066 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.484 1.761 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.688 1.955 -4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.757 1.369 -3.122 1.00 0.00 H new ATOM 1052 N MET A 69 5.076 -1.200 -2.094 1.00 0.00 N ATOM 1053 CA MET A 69 5.037 -2.033 -0.904 1.00 0.00 C ATOM 1054 C MET A 69 5.858 -3.309 -1.101 1.00 0.00 C ATOM 1055 O MET A 69 6.522 -3.774 -0.176 1.00 0.00 O ATOM 1056 CB MET A 69 3.587 -2.404 -0.587 1.00 0.00 C ATOM 1057 CG MET A 69 3.522 -3.508 0.470 1.00 0.00 C ATOM 1058 SD MET A 69 4.519 -3.063 1.881 1.00 0.00 S ATOM 1059 CE MET A 69 3.301 -2.200 2.861 1.00 0.00 C ATOM 0 H MET A 69 4.175 -0.810 -2.371 1.00 0.00 H new ATOM 0 HA MET A 69 5.467 -1.470 -0.076 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.052 -1.523 -0.232 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.086 -2.736 -1.496 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.489 -3.666 0.780 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.875 -4.449 0.047 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.407 -2.486 3.907 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.450 -1.125 2.762 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.302 -2.461 2.512 1.00 0.00 H new ATOM 1069 N LEU A 70 5.787 -3.839 -2.314 1.00 0.00 N ATOM 1070 CA LEU A 70 6.516 -5.052 -2.644 1.00 0.00 C ATOM 1071 C LEU A 70 7.993 -4.713 -2.853 1.00 0.00 C ATOM 1072 O LEU A 70 8.867 -5.325 -2.241 1.00 0.00 O ATOM 1073 CB LEU A 70 5.871 -5.756 -3.840 1.00 0.00 C ATOM 1074 CG LEU A 70 4.429 -6.229 -3.642 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.526 -5.720 -4.768 1.00 0.00 C ATOM 1076 CD2 LEU A 70 4.366 -7.751 -3.500 1.00 0.00 C ATOM 0 H LEU A 70 5.236 -3.451 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 70 6.465 -5.763 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.896 -5.077 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.483 -6.619 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 70 4.054 -5.803 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.507 -6.070 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.538 -4.630 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.889 -6.097 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.330 -8.061 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.766 -8.217 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.957 -8.061 -2.638 1.00 0.00 H new ATOM 1088 N LEU A 71 8.227 -3.740 -3.721 1.00 0.00 N ATOM 1089 CA LEU A 71 9.583 -3.313 -4.019 1.00 0.00 C ATOM 1090 C LEU A 71 10.319 -3.018 -2.710 1.00 0.00 C ATOM 1091 O LEU A 71 11.459 -3.443 -2.526 1.00 0.00 O ATOM 1092 CB LEU A 71 9.572 -2.136 -4.997 1.00 0.00 C ATOM 1093 CG LEU A 71 9.331 -2.487 -6.466 1.00 0.00 C ATOM 1094 CD1 LEU A 71 10.655 -2.709 -7.201 1.00 0.00 C ATOM 1095 CD2 LEU A 71 8.395 -3.690 -6.596 1.00 0.00 C ATOM 0 H LEU A 71 7.500 -3.235 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 71 10.131 -4.110 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.801 -1.434 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.527 -1.617 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 71 8.836 -1.641 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.455 -2.957 -8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.255 -1.800 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.199 -3.528 -6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.240 -3.918 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.840 -4.552 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.437 -3.458 -6.131 1.00 0.00 H new ATOM 1107 N GLN A 72 9.638 -2.292 -1.836 1.00 0.00 N ATOM 1108 CA GLN A 72 10.213 -1.935 -0.550 1.00 0.00 C ATOM 1109 C GLN A 72 10.392 -3.184 0.316 1.00 0.00 C ATOM 1110 O GLN A 72 11.454 -3.389 0.903 1.00 0.00 O ATOM 1111 CB GLN A 72 9.353 -0.891 0.164 1.00 0.00 C ATOM 1112 CG GLN A 72 8.810 -1.439 1.486 1.00 0.00 C ATOM 1113 CD GLN A 72 8.076 -0.350 2.271 1.00 0.00 C ATOM 1114 OE1 GLN A 72 8.673 0.488 2.926 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.751 -0.410 2.168 1.00 0.00 N ATOM 0 H GLN A 72 8.693 -1.941 -1.993 1.00 0.00 H new ATOM 0 HA GLN A 72 11.194 -1.493 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.944 0.005 0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.524 -0.596 -0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.132 -2.269 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.631 -1.833 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.316 -1.139 1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.170 0.273 2.655 1.00 0.00 H new ATOM 1124 N LEU A 73 9.339 -3.985 0.367 1.00 0.00 N ATOM 1125 CA LEU A 73 9.366 -5.208 1.152 1.00 0.00 C ATOM 1126 C LEU A 73 10.655 -5.975 0.848 1.00 0.00 C ATOM 1127 O LEU A 73 11.431 -6.276 1.754 1.00 0.00 O ATOM 1128 CB LEU A 73 8.094 -6.025 0.915 1.00 0.00 C ATOM 1129 CG LEU A 73 7.067 -6.009 2.049 1.00 0.00 C ATOM 1130 CD1 LEU A 73 7.064 -4.659 2.767 1.00 0.00 C ATOM 1131 CD2 LEU A 73 5.676 -6.387 1.533 1.00 0.00 C ATOM 0 H LEU A 73 8.461 -3.812 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 73 9.375 -4.977 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.612 -5.656 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.380 -7.059 0.725 1.00 0.00 H new ATOM 0 HG LEU A 73 7.355 -6.762 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.325 -4.675 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.051 -4.468 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.813 -3.870 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.964 -6.368 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.365 -5.674 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.707 -7.388 1.103 1.00 0.00 H new ATOM 1143 N GLY A 74 10.844 -6.268 -0.431 1.00 0.00 N ATOM 1144 CA GLY A 74 12.025 -6.994 -0.865 1.00 0.00 C ATOM 1145 C GLY A 74 11.640 -8.240 -1.665 1.00 0.00 C ATOM 1146 O GLY A 74 12.265 -9.290 -1.526 1.00 0.00 O ATOM 0 H GLY A 74 10.199 -6.016 -1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.651 -6.344 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.618 -7.283 0.003 1.00 0.00 H new ATOM 1150 N TYR A 75 10.612 -8.082 -2.486 1.00 0.00 N ATOM 1151 CA TYR A 75 10.136 -9.181 -3.309 1.00 0.00 C ATOM 1152 C TYR A 75 10.526 -8.979 -4.774 1.00 0.00 C ATOM 1153 O TYR A 75 10.610 -9.941 -5.537 1.00 0.00 O ATOM 1154 CB TYR A 75 8.610 -9.164 -3.194 1.00 0.00 C ATOM 1155 CG TYR A 75 8.084 -9.617 -1.830 1.00 0.00 C ATOM 1156 CD1 TYR A 75 7.961 -10.963 -1.551 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.733 -8.680 -0.880 1.00 0.00 C ATOM 1158 CE1 TYR A 75 7.466 -11.389 -0.267 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.238 -9.106 0.403 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.129 -10.440 0.646 1.00 0.00 C ATOM 1161 OH TYR A 75 6.661 -10.843 1.858 1.00 0.00 O ATOM 0 H TYR A 75 10.096 -7.210 -2.599 1.00 0.00 H new ATOM 0 HA TYR A 75 10.571 -10.124 -2.977 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.252 -8.154 -3.393 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.190 -9.809 -3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.236 -11.696 -2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.830 -7.627 -1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.365 -12.439 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.960 -8.383 1.155 1.00 0.00 H new ATOM 0 HH TYR A 75 6.461 -10.058 2.409 1.00 0.00 H new