USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 491 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 8 SER OG : rot -51:sc= 0.00261 USER MOD Single : A 9 MET CE :methyl 142:sc= 0 (180deg=-0.478) USER MOD Single : A 10 GLN : amide:sc= -0.0385 K(o=-0.039,f=-0.58) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 131:sc= 0.334 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= -0.108 (180deg=-0.466) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0.61 (180deg=0.506) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.92! C(o=-1.9!,f=-4.6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 49 GLN : amide:sc= -1.54 K(o=-1.5,f=-5.2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0745 K(o=-0.074,f=-1.7) USER MOD Single : A 63 THR OG1 : rot 160:sc= -0.41 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ 146:sc= -0.777 (180deg=-2.22!) USER MOD Single : A 73 SER OG : rot 29:sc= 0.145 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -3.68 X(o=-3.7,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 1.354 17.161 -7.643 1.00 44.53 N ATOM 92 CA SER A 8 1.748 17.077 -9.045 1.00 62.24 C ATOM 93 C SER A 8 1.680 15.637 -9.543 1.00 5.43 C ATOM 94 O SER A 8 2.212 15.310 -10.604 1.00 35.43 O ATOM 95 CB SER A 8 3.163 17.628 -9.233 1.00 2.21 C ATOM 96 OG SER A 8 3.346 18.125 -10.548 1.00 62.43 O ATOM 0 HA SER A 8 1.051 17.678 -9.629 1.00 62.24 H new ATOM 0 HB2 SER A 8 3.346 18.424 -8.511 1.00 2.21 H new ATOM 0 HB3 SER A 8 3.892 16.843 -9.033 1.00 2.21 H new ATOM 0 HG SER A 8 3.066 17.446 -11.196 1.00 62.43 H new ATOM 101 N MET A 9 1.023 14.780 -8.769 1.00 61.11 N ATOM 102 CA MET A 9 0.884 13.374 -9.131 1.00 31.14 C ATOM 103 C MET A 9 -0.561 12.912 -8.973 1.00 50.54 C ATOM 104 O MET A 9 -1.185 13.142 -7.937 1.00 42.32 O ATOM 105 CB MET A 9 1.806 12.510 -8.269 1.00 1.41 C ATOM 106 CG MET A 9 2.863 13.307 -7.522 1.00 42.32 C ATOM 107 SD MET A 9 4.256 12.290 -6.997 1.00 51.22 S ATOM 108 CE MET A 9 5.192 13.472 -6.030 1.00 64.13 C ATOM 0 H MET A 9 0.578 15.034 -7.887 1.00 61.11 H new ATOM 0 HA MET A 9 1.169 13.264 -10.177 1.00 31.14 H new ATOM 0 HB2 MET A 9 1.203 11.957 -7.549 1.00 1.41 H new ATOM 0 HB3 MET A 9 2.299 11.774 -8.904 1.00 1.41 H new ATOM 0 HG2 MET A 9 3.226 14.111 -8.162 1.00 42.32 H new ATOM 0 HG3 MET A 9 2.410 13.775 -6.648 1.00 42.32 H new ATOM 0 HE1 MET A 9 5.618 12.974 -5.159 1.00 64.13 H new ATOM 0 HE2 MET A 9 5.995 13.886 -6.640 1.00 64.13 H new ATOM 0 HE3 MET A 9 4.534 14.276 -5.702 1.00 64.13 H new ATOM 116 N GLN A 10 -1.086 12.261 -10.006 1.00 72.54 N ATOM 117 CA GLN A 10 -2.458 11.768 -9.979 1.00 42.20 C ATOM 118 C GLN A 10 -2.522 10.313 -10.433 1.00 10.52 C ATOM 119 O GLN A 10 -1.773 9.895 -11.316 1.00 14.42 O ATOM 120 CB GLN A 10 -3.350 12.633 -10.872 1.00 53.14 C ATOM 121 CG GLN A 10 -3.321 14.109 -10.512 1.00 20.30 C ATOM 122 CD GLN A 10 -3.467 15.008 -11.723 1.00 1.44 C ATOM 123 OE1 GLN A 10 -4.022 14.605 -12.746 1.00 24.13 O ATOM 124 NE2 GLN A 10 -2.969 16.234 -11.615 1.00 3.53 N ATOM 0 H GLN A 10 -0.583 12.063 -10.871 1.00 72.54 H new ATOM 0 HA GLN A 10 -2.819 11.825 -8.952 1.00 42.20 H new ATOM 0 HB2 GLN A 10 -3.036 12.514 -11.909 1.00 53.14 H new ATOM 0 HB3 GLN A 10 -4.376 12.271 -10.806 1.00 53.14 H new ATOM 0 HG2 GLN A 10 -4.124 14.323 -9.807 1.00 20.30 H new ATOM 0 HG3 GLN A 10 -2.383 14.337 -10.006 1.00 20.30 H new ATOM 0 HE21 GLN A 10 -2.517 16.526 -10.749 1.00 3.53 H new ATOM 0 HE22 GLN A 10 -3.038 16.883 -12.398 1.00 3.53 H new ATOM 131 N ILE A 11 -3.422 9.548 -9.825 1.00 62.44 N ATOM 132 CA ILE A 11 -3.584 8.140 -10.167 1.00 22.44 C ATOM 133 C ILE A 11 -5.030 7.693 -9.982 1.00 55.50 C ATOM 134 O ILE A 11 -5.878 8.465 -9.534 1.00 62.32 O ATOM 135 CB ILE A 11 -2.669 7.244 -9.312 1.00 63.21 C ATOM 136 CG1 ILE A 11 -2.173 6.052 -10.134 1.00 25.43 C ATOM 137 CG2 ILE A 11 -3.405 6.767 -8.070 1.00 60.14 C ATOM 138 CD1 ILE A 11 -0.723 5.704 -9.879 1.00 25.01 C ATOM 0 H ILE A 11 -4.050 9.879 -9.093 1.00 62.44 H new ATOM 0 HA ILE A 11 -3.304 8.036 -11.215 1.00 22.44 H new ATOM 0 HB ILE A 11 -1.805 7.829 -8.996 1.00 63.21 H new ATOM 0 HG12 ILE A 11 -2.792 5.183 -9.909 1.00 25.43 H new ATOM 0 HG13 ILE A 11 -2.305 6.272 -11.194 1.00 25.43 H new ATOM 0 HG21 ILE A 11 -2.745 6.135 -7.476 1.00 60.14 H new ATOM 0 HG22 ILE A 11 -3.713 7.628 -7.477 1.00 60.14 H new ATOM 0 HG23 ILE A 11 -4.285 6.196 -8.365 1.00 60.14 H new ATOM 0 HD11 ILE A 11 -0.440 4.850 -10.495 1.00 25.01 H new ATOM 0 HD12 ILE A 11 -0.094 6.558 -10.131 1.00 25.01 H new ATOM 0 HD13 ILE A 11 -0.589 5.453 -8.827 1.00 25.01 H new ATOM 149 N PHE A 12 -5.305 6.440 -10.331 1.00 12.45 N ATOM 150 CA PHE A 12 -6.649 5.889 -10.203 1.00 5.41 C ATOM 151 C PHE A 12 -6.739 4.948 -9.007 1.00 54.04 C ATOM 152 O PHE A 12 -5.992 3.973 -8.911 1.00 73.55 O ATOM 153 CB PHE A 12 -7.041 5.146 -11.483 1.00 70.03 C ATOM 154 CG PHE A 12 -8.268 5.702 -12.147 1.00 62.10 C ATOM 155 CD1 PHE A 12 -8.353 7.051 -12.456 1.00 44.44 C ATOM 156 CD2 PHE A 12 -9.336 4.878 -12.463 1.00 3.51 C ATOM 157 CE1 PHE A 12 -9.479 7.566 -13.068 1.00 14.44 C ATOM 158 CE2 PHE A 12 -10.464 5.387 -13.075 1.00 21.03 C ATOM 159 CZ PHE A 12 -10.537 6.733 -13.378 1.00 63.40 C ATOM 0 H PHE A 12 -4.615 5.788 -10.704 1.00 12.45 H new ATOM 0 HA PHE A 12 -7.341 6.716 -10.044 1.00 5.41 H new ATOM 0 HB2 PHE A 12 -6.208 5.185 -12.185 1.00 70.03 H new ATOM 0 HB3 PHE A 12 -7.210 4.095 -11.247 1.00 70.03 H new ATOM 0 HD1 PHE A 12 -7.529 7.707 -12.215 1.00 44.44 H new ATOM 0 HD2 PHE A 12 -9.286 3.825 -12.228 1.00 3.51 H new ATOM 0 HE1 PHE A 12 -9.532 8.619 -13.304 1.00 14.44 H new ATOM 0 HE2 PHE A 12 -11.289 4.733 -13.317 1.00 21.03 H new ATOM 0 HZ PHE A 12 -11.419 7.133 -13.856 1.00 63.40 H new ATOM 168 N VAL A 13 -7.660 5.245 -8.095 1.00 60.34 N ATOM 169 CA VAL A 13 -7.849 4.426 -6.904 1.00 34.30 C ATOM 170 C VAL A 13 -9.327 4.135 -6.667 1.00 63.32 C ATOM 171 O VAL A 13 -10.154 5.046 -6.645 1.00 15.42 O ATOM 172 CB VAL A 13 -7.264 5.110 -5.653 1.00 10.43 C ATOM 173 CG1 VAL A 13 -7.356 4.188 -4.447 1.00 14.43 C ATOM 174 CG2 VAL A 13 -5.825 5.534 -5.902 1.00 24.33 C ATOM 0 H VAL A 13 -8.287 6.047 -8.159 1.00 60.34 H new ATOM 0 HA VAL A 13 -7.320 3.489 -7.077 1.00 34.30 H new ATOM 0 HB VAL A 13 -7.851 6.004 -5.441 1.00 10.43 H new ATOM 0 HG11 VAL A 13 -6.938 4.689 -3.574 1.00 14.43 H new ATOM 0 HG12 VAL A 13 -8.400 3.940 -4.258 1.00 14.43 H new ATOM 0 HG13 VAL A 13 -6.796 3.274 -4.644 1.00 14.43 H new ATOM 0 HG21 VAL A 13 -5.428 6.015 -5.008 1.00 24.33 H new ATOM 0 HG22 VAL A 13 -5.223 4.657 -6.140 1.00 24.33 H new ATOM 0 HG23 VAL A 13 -5.791 6.234 -6.737 1.00 24.33 H new ATOM 184 N LYS A 14 -9.651 2.859 -6.487 1.00 23.03 N ATOM 185 CA LYS A 14 -11.029 2.446 -6.249 1.00 40.55 C ATOM 186 C LYS A 14 -11.159 1.733 -4.907 1.00 44.33 C ATOM 187 O LYS A 14 -10.490 0.729 -4.657 1.00 21.43 O ATOM 188 CB LYS A 14 -11.509 1.526 -7.375 1.00 62.41 C ATOM 189 CG LYS A 14 -11.667 2.233 -8.711 1.00 71.33 C ATOM 190 CD LYS A 14 -13.103 2.669 -8.944 1.00 30.01 C ATOM 191 CE LYS A 14 -13.229 3.528 -10.193 1.00 24.51 C ATOM 192 NZ LYS A 14 -13.396 2.702 -11.420 1.00 4.24 N ATOM 0 H LYS A 14 -8.978 2.093 -6.501 1.00 23.03 H new ATOM 0 HA LYS A 14 -11.652 3.340 -6.228 1.00 40.55 H new ATOM 0 HB2 LYS A 14 -10.801 0.705 -7.489 1.00 62.41 H new ATOM 0 HB3 LYS A 14 -12.465 1.086 -7.091 1.00 62.41 H new ATOM 0 HG2 LYS A 14 -11.012 3.103 -8.743 1.00 71.33 H new ATOM 0 HG3 LYS A 14 -11.353 1.568 -9.515 1.00 71.33 H new ATOM 0 HD2 LYS A 14 -13.740 1.790 -9.040 1.00 30.01 H new ATOM 0 HD3 LYS A 14 -13.459 3.228 -8.079 1.00 30.01 H new ATOM 0 HE2 LYS A 14 -14.082 4.199 -10.088 1.00 24.51 H new ATOM 0 HE3 LYS A 14 -12.342 4.154 -10.294 1.00 24.51 H new ATOM 0 HZ1 LYS A 14 -13.478 3.325 -12.249 1.00 4.24 H new ATOM 0 HZ2 LYS A 14 -12.571 2.080 -11.535 1.00 4.24 H new ATOM 0 HZ3 LYS A 14 -14.256 2.124 -11.335 1.00 4.24 H new ATOM 202 N THR A 15 -12.025 2.257 -4.045 1.00 31.04 N ATOM 203 CA THR A 15 -12.243 1.671 -2.729 1.00 72.32 C ATOM 204 C THR A 15 -13.142 0.443 -2.816 1.00 30.53 C ATOM 205 O THR A 15 -13.546 0.032 -3.904 1.00 2.40 O ATOM 206 CB THR A 15 -12.873 2.688 -1.759 1.00 32.11 C ATOM 207 OG1 THR A 15 -14.263 2.855 -2.058 1.00 4.33 O ATOM 208 CG2 THR A 15 -12.164 4.031 -1.848 1.00 32.35 C ATOM 0 H THR A 15 -12.587 3.087 -4.235 1.00 31.04 H new ATOM 0 HA THR A 15 -11.265 1.375 -2.348 1.00 72.32 H new ATOM 0 HB THR A 15 -12.765 2.304 -0.744 1.00 32.11 H new ATOM 0 HG1 THR A 15 -14.787 2.774 -1.234 1.00 4.33 H new ATOM 0 HG21 THR A 15 -12.626 4.733 -1.154 1.00 32.35 H new ATOM 0 HG22 THR A 15 -11.112 3.905 -1.590 1.00 32.35 H new ATOM 0 HG23 THR A 15 -12.245 4.418 -2.864 1.00 32.35 H new ATOM 216 N LEU A 16 -13.455 -0.137 -1.662 1.00 53.20 N ATOM 217 CA LEU A 16 -14.309 -1.319 -1.608 1.00 2.21 C ATOM 218 C LEU A 16 -15.774 -0.942 -1.801 1.00 23.53 C ATOM 219 O LEU A 16 -16.571 -1.736 -2.302 1.00 71.35 O ATOM 220 CB LEU A 16 -14.128 -2.042 -0.272 1.00 20.25 C ATOM 221 CG LEU A 16 -14.205 -1.167 0.980 1.00 42.50 C ATOM 222 CD1 LEU A 16 -15.444 -1.505 1.793 1.00 72.24 C ATOM 223 CD2 LEU A 16 -12.949 -1.334 1.824 1.00 22.25 C ATOM 0 H LEU A 16 -13.131 0.191 -0.752 1.00 53.20 H new ATOM 0 HA LEU A 16 -14.015 -1.986 -2.418 1.00 2.21 H new ATOM 0 HB2 LEU A 16 -14.889 -2.818 -0.196 1.00 20.25 H new ATOM 0 HB3 LEU A 16 -13.160 -2.544 -0.281 1.00 20.25 H new ATOM 0 HG LEU A 16 -14.274 -0.125 0.668 1.00 42.50 H new ATOM 0 HD11 LEU A 16 -15.481 -0.872 2.680 1.00 72.24 H new ATOM 0 HD12 LEU A 16 -16.334 -1.334 1.188 1.00 72.24 H new ATOM 0 HD13 LEU A 16 -15.406 -2.551 2.096 1.00 72.24 H new ATOM 0 HD21 LEU A 16 -13.020 -0.704 2.711 1.00 22.25 H new ATOM 0 HD22 LEU A 16 -12.850 -2.377 2.126 1.00 22.25 H new ATOM 0 HD23 LEU A 16 -12.077 -1.041 1.240 1.00 22.25 H new ATOM 234 N THR A 17 -16.123 0.278 -1.403 1.00 34.10 N ATOM 235 CA THR A 17 -17.491 0.763 -1.533 1.00 11.21 C ATOM 236 C THR A 17 -17.735 1.359 -2.914 1.00 2.43 C ATOM 237 O THR A 17 -18.857 1.347 -3.418 1.00 11.11 O ATOM 238 CB THR A 17 -17.816 1.823 -0.464 1.00 61.10 C ATOM 239 OG1 THR A 17 -19.167 1.670 -0.017 1.00 34.43 O ATOM 240 CG2 THR A 17 -17.615 3.227 -1.016 1.00 12.45 C ATOM 0 H THR A 17 -15.476 0.948 -0.988 1.00 34.10 H new ATOM 0 HA THR A 17 -18.145 -0.097 -1.391 1.00 11.21 H new ATOM 0 HB THR A 17 -17.137 1.679 0.377 1.00 61.10 H new ATOM 0 HG1 THR A 17 -19.365 2.347 0.664 1.00 34.43 H new ATOM 0 HG21 THR A 17 -17.851 3.959 -0.243 1.00 12.45 H new ATOM 0 HG22 THR A 17 -16.578 3.350 -1.328 1.00 12.45 H new ATOM 0 HG23 THR A 17 -18.272 3.379 -1.872 1.00 12.45 H new ATOM 248 N GLY A 18 -16.675 1.879 -3.525 1.00 64.24 N ATOM 249 CA GLY A 18 -16.795 2.473 -4.844 1.00 53.34 C ATOM 250 C GLY A 18 -16.287 3.900 -4.886 1.00 20.32 C ATOM 251 O GLY A 18 -16.417 4.584 -5.901 1.00 4.24 O ATOM 0 H GLY A 18 -15.735 1.900 -3.130 1.00 64.24 H new ATOM 0 HA2 GLY A 18 -16.238 1.871 -5.562 1.00 53.34 H new ATOM 0 HA3 GLY A 18 -17.840 2.453 -5.154 1.00 53.34 H new ATOM 255 N LYS A 19 -15.708 4.354 -3.779 1.00 14.13 N ATOM 256 CA LYS A 19 -15.180 5.710 -3.692 1.00 30.30 C ATOM 257 C LYS A 19 -13.859 5.827 -4.446 1.00 23.44 C ATOM 258 O LYS A 19 -13.109 4.858 -4.562 1.00 0.55 O ATOM 259 CB LYS A 19 -14.981 6.108 -2.228 1.00 23.45 C ATOM 260 CG LYS A 19 -16.061 7.037 -1.699 1.00 75.23 C ATOM 261 CD LYS A 19 -15.689 8.496 -1.898 1.00 71.50 C ATOM 262 CE LYS A 19 -16.278 9.051 -3.186 1.00 42.45 C ATOM 263 NZ LYS A 19 -17.764 9.123 -3.130 1.00 14.12 N ATOM 0 H LYS A 19 -15.593 3.802 -2.929 1.00 14.13 H new ATOM 0 HA LYS A 19 -15.902 6.386 -4.151 1.00 30.30 H new ATOM 0 HB2 LYS A 19 -14.956 5.207 -1.615 1.00 23.45 H new ATOM 0 HB3 LYS A 19 -14.011 6.593 -2.121 1.00 23.45 H new ATOM 0 HG2 LYS A 19 -17.002 6.828 -2.207 1.00 75.23 H new ATOM 0 HG3 LYS A 19 -16.221 6.843 -0.638 1.00 75.23 H new ATOM 0 HD2 LYS A 19 -16.046 9.082 -1.051 1.00 71.50 H new ATOM 0 HD3 LYS A 19 -14.604 8.596 -1.920 1.00 71.50 H new ATOM 0 HE2 LYS A 19 -15.873 10.046 -3.372 1.00 42.45 H new ATOM 0 HE3 LYS A 19 -15.976 8.423 -4.024 1.00 42.45 H new ATOM 0 HZ1 LYS A 19 -18.101 9.856 -3.787 1.00 14.12 H new ATOM 0 HZ2 LYS A 19 -18.167 8.203 -3.401 1.00 14.12 H new ATOM 0 HZ3 LYS A 19 -18.064 9.361 -2.163 1.00 14.12 H new ATOM 273 N THR A 20 -13.578 7.024 -4.955 1.00 70.12 N ATOM 274 CA THR A 20 -12.348 7.269 -5.696 1.00 43.41 C ATOM 275 C THR A 20 -11.508 8.351 -5.028 1.00 71.41 C ATOM 276 O THR A 20 -12.019 9.412 -4.669 1.00 70.41 O ATOM 277 CB THR A 20 -12.642 7.688 -7.149 1.00 45.34 C ATOM 278 OG1 THR A 20 -13.976 7.310 -7.508 1.00 61.33 O ATOM 279 CG2 THR A 20 -11.652 7.045 -8.109 1.00 21.22 C ATOM 0 H THR A 20 -14.186 7.838 -4.867 1.00 70.12 H new ATOM 0 HA THR A 20 -11.791 6.332 -5.700 1.00 43.41 H new ATOM 0 HB THR A 20 -12.540 8.771 -7.219 1.00 45.34 H new ATOM 0 HG1 THR A 20 -14.155 7.581 -8.432 1.00 61.33 H new ATOM 0 HG21 THR A 20 -11.880 7.356 -9.129 1.00 21.22 H new ATOM 0 HG22 THR A 20 -10.640 7.358 -7.852 1.00 21.22 H new ATOM 0 HG23 THR A 20 -11.726 5.960 -8.035 1.00 21.22 H new ATOM 287 N ILE A 21 -10.219 8.076 -4.863 1.00 65.23 N ATOM 288 CA ILE A 21 -9.309 9.028 -4.238 1.00 42.22 C ATOM 289 C ILE A 21 -8.027 9.177 -5.050 1.00 71.32 C ATOM 290 O ILE A 21 -7.473 8.194 -5.543 1.00 25.43 O ATOM 291 CB ILE A 21 -8.947 8.602 -2.803 1.00 61.41 C ATOM 292 CG1 ILE A 21 -8.761 7.085 -2.729 1.00 61.32 C ATOM 293 CG2 ILE A 21 -10.023 9.056 -1.828 1.00 73.00 C ATOM 294 CD1 ILE A 21 -10.048 6.329 -2.482 1.00 63.23 C ATOM 0 H ILE A 21 -9.781 7.202 -5.153 1.00 65.23 H new ATOM 0 HA ILE A 21 -9.829 9.986 -4.204 1.00 42.22 H new ATOM 0 HB ILE A 21 -8.007 9.079 -2.525 1.00 61.41 H new ATOM 0 HG12 ILE A 21 -8.317 6.736 -3.661 1.00 61.32 H new ATOM 0 HG13 ILE A 21 -8.054 6.852 -1.933 1.00 61.32 H new ATOM 0 HG21 ILE A 21 -9.753 8.747 -0.818 1.00 73.00 H new ATOM 0 HG22 ILE A 21 -10.112 10.142 -1.864 1.00 73.00 H new ATOM 0 HG23 ILE A 21 -10.976 8.605 -2.102 1.00 73.00 H new ATOM 0 HD11 ILE A 21 -9.840 5.260 -2.442 1.00 63.23 H new ATOM 0 HD12 ILE A 21 -10.483 6.650 -1.535 1.00 63.23 H new ATOM 0 HD13 ILE A 21 -10.750 6.532 -3.291 1.00 63.23 H new ATOM 305 N THR A 22 -7.558 10.414 -5.185 1.00 75.35 N ATOM 306 CA THR A 22 -6.342 10.693 -5.936 1.00 23.03 C ATOM 307 C THR A 22 -5.101 10.313 -5.135 1.00 30.35 C ATOM 308 O THR A 22 -4.872 10.834 -4.042 1.00 53.02 O ATOM 309 CB THR A 22 -6.251 12.180 -6.326 1.00 31.31 C ATOM 310 OG1 THR A 22 -7.527 12.808 -6.163 1.00 33.31 O ATOM 311 CG2 THR A 22 -5.784 12.335 -7.765 1.00 13.42 C ATOM 0 H THR A 22 -8.003 11.239 -4.783 1.00 75.35 H new ATOM 0 HA THR A 22 -6.385 10.089 -6.842 1.00 23.03 H new ATOM 0 HB THR A 22 -5.524 12.660 -5.671 1.00 31.31 H new ATOM 0 HG1 THR A 22 -7.460 13.754 -6.411 1.00 33.31 H new ATOM 0 HG21 THR A 22 -5.728 13.394 -8.017 1.00 13.42 H new ATOM 0 HG22 THR A 22 -4.799 11.882 -7.879 1.00 13.42 H new ATOM 0 HG23 THR A 22 -6.490 11.840 -8.432 1.00 13.42 H new ATOM 319 N LEU A 23 -4.304 9.404 -5.684 1.00 71.13 N ATOM 320 CA LEU A 23 -3.086 8.954 -5.020 1.00 3.40 C ATOM 321 C LEU A 23 -1.851 9.330 -5.834 1.00 20.22 C ATOM 322 O LEU A 23 -1.847 9.219 -7.059 1.00 50.54 O ATOM 323 CB LEU A 23 -3.126 7.439 -4.806 1.00 21.52 C ATOM 324 CG LEU A 23 -3.768 6.964 -3.503 1.00 74.13 C ATOM 325 CD1 LEU A 23 -2.868 7.279 -2.318 1.00 41.11 C ATOM 326 CD2 LEU A 23 -5.138 7.602 -3.318 1.00 54.45 C ATOM 0 H LEU A 23 -4.479 8.964 -6.587 1.00 71.13 H new ATOM 0 HA LEU A 23 -3.027 9.450 -4.051 1.00 3.40 H new ATOM 0 HB2 LEU A 23 -3.665 6.988 -5.639 1.00 21.52 H new ATOM 0 HB3 LEU A 23 -2.105 7.059 -4.845 1.00 21.52 H new ATOM 0 HG LEU A 23 -3.897 5.883 -3.558 1.00 74.13 H new ATOM 0 HD11 LEU A 23 -3.342 6.933 -1.399 1.00 41.11 H new ATOM 0 HD12 LEU A 23 -1.910 6.774 -2.444 1.00 41.11 H new ATOM 0 HD13 LEU A 23 -2.706 8.355 -2.260 1.00 41.11 H new ATOM 0 HD21 LEU A 23 -5.579 7.252 -2.385 1.00 54.45 H new ATOM 0 HD22 LEU A 23 -5.033 8.686 -3.285 1.00 54.45 H new ATOM 0 HD23 LEU A 23 -5.784 7.325 -4.151 1.00 54.45 H new ATOM 337 N GLU A 24 -0.806 9.776 -5.143 1.00 14.41 N ATOM 338 CA GLU A 24 0.434 10.167 -5.803 1.00 10.15 C ATOM 339 C GLU A 24 1.374 8.974 -5.946 1.00 50.35 C ATOM 340 O GLU A 24 1.328 8.034 -5.152 1.00 74.32 O ATOM 341 CB GLU A 24 1.124 11.285 -5.019 1.00 54.15 C ATOM 342 CG GLU A 24 1.612 10.852 -3.646 1.00 64.04 C ATOM 343 CD GLU A 24 2.510 11.886 -2.994 1.00 53.42 C ATOM 344 OE1 GLU A 24 3.275 12.551 -3.723 1.00 51.53 O ATOM 345 OE2 GLU A 24 2.449 12.028 -1.755 1.00 31.33 O ATOM 0 H GLU A 24 -0.794 9.875 -4.128 1.00 14.41 H new ATOM 0 HA GLU A 24 0.186 10.532 -6.800 1.00 10.15 H new ATOM 0 HB2 GLU A 24 1.971 11.654 -5.597 1.00 54.15 H new ATOM 0 HB3 GLU A 24 0.431 12.118 -4.903 1.00 54.15 H new ATOM 0 HG2 GLU A 24 0.753 10.664 -3.002 1.00 64.04 H new ATOM 0 HG3 GLU A 24 2.154 9.911 -3.737 1.00 64.04 H new ATOM 350 N VAL A 25 2.228 9.019 -6.964 1.00 52.22 N ATOM 351 CA VAL A 25 3.181 7.943 -7.211 1.00 75.42 C ATOM 352 C VAL A 25 4.546 8.497 -7.599 1.00 44.31 C ATOM 353 O VAL A 25 4.642 9.521 -8.274 1.00 45.34 O ATOM 354 CB VAL A 25 2.686 7.000 -8.324 1.00 35.31 C ATOM 355 CG1 VAL A 25 1.642 6.036 -7.783 1.00 74.30 C ATOM 356 CG2 VAL A 25 2.128 7.801 -9.491 1.00 5.20 C ATOM 0 H VAL A 25 2.279 9.789 -7.631 1.00 52.22 H new ATOM 0 HA VAL A 25 3.272 7.380 -6.282 1.00 75.42 H new ATOM 0 HB VAL A 25 3.533 6.416 -8.684 1.00 35.31 H new ATOM 0 HG11 VAL A 25 1.304 5.378 -8.584 1.00 74.30 H new ATOM 0 HG12 VAL A 25 2.078 5.439 -6.982 1.00 74.30 H new ATOM 0 HG13 VAL A 25 0.794 6.599 -7.394 1.00 74.30 H new ATOM 0 HG21 VAL A 25 1.783 7.119 -10.268 1.00 5.20 H new ATOM 0 HG22 VAL A 25 1.293 8.412 -9.147 1.00 5.20 H new ATOM 0 HG23 VAL A 25 2.908 8.447 -9.895 1.00 5.20 H new ATOM 366 N GLU A 26 5.601 7.812 -7.168 1.00 72.42 N ATOM 367 CA GLU A 26 6.963 8.236 -7.471 1.00 21.32 C ATOM 368 C GLU A 26 7.957 7.112 -7.192 1.00 23.42 C ATOM 369 O GLU A 26 7.735 6.249 -6.343 1.00 54.22 O ATOM 370 CB GLU A 26 7.329 9.473 -6.648 1.00 5.01 C ATOM 371 CG GLU A 26 7.605 10.706 -7.492 1.00 52.12 C ATOM 372 CD GLU A 26 9.009 11.245 -7.298 1.00 15.42 C ATOM 373 OE1 GLU A 26 9.483 11.265 -6.143 1.00 35.42 O ATOM 374 OE2 GLU A 26 9.634 11.645 -8.302 1.00 51.24 O ATOM 0 H GLU A 26 5.539 6.962 -6.608 1.00 72.42 H new ATOM 0 HA GLU A 26 7.013 8.486 -8.531 1.00 21.32 H new ATOM 0 HB2 GLU A 26 6.516 9.692 -5.955 1.00 5.01 H new ATOM 0 HB3 GLU A 26 8.210 9.251 -6.046 1.00 5.01 H new ATOM 0 HG2 GLU A 26 7.456 10.462 -8.544 1.00 52.12 H new ATOM 0 HG3 GLU A 26 6.884 11.483 -7.240 1.00 52.12 H new ATOM 379 N PRO A 27 9.081 7.123 -7.923 1.00 1.33 N ATOM 380 CA PRO A 27 10.133 6.113 -7.774 1.00 23.23 C ATOM 381 C PRO A 27 10.878 6.243 -6.449 1.00 0.14 C ATOM 382 O PRO A 27 11.398 5.261 -5.920 1.00 11.22 O ATOM 383 CB PRO A 27 11.073 6.404 -8.947 1.00 54.33 C ATOM 384 CG PRO A 27 10.858 7.845 -9.256 1.00 44.53 C ATOM 385 CD PRO A 27 9.412 8.123 -8.953 1.00 63.04 C ATOM 0 HA PRO A 27 9.729 5.101 -7.775 1.00 23.23 H new ATOM 0 HB2 PRO A 27 12.111 6.207 -8.681 1.00 54.33 H new ATOM 0 HB3 PRO A 27 10.840 5.776 -9.807 1.00 54.33 H new ATOM 0 HG2 PRO A 27 11.511 8.475 -8.652 1.00 44.53 H new ATOM 0 HG3 PRO A 27 11.086 8.058 -10.300 1.00 44.53 H new ATOM 0 HD2 PRO A 27 9.266 9.140 -8.588 1.00 63.04 H new ATOM 0 HD3 PRO A 27 8.787 8.010 -9.839 1.00 63.04 H new ATOM 390 N SER A 28 10.924 7.461 -5.919 1.00 53.00 N ATOM 391 CA SER A 28 11.607 7.719 -4.657 1.00 1.41 C ATOM 392 C SER A 28 10.603 7.980 -3.538 1.00 44.32 C ATOM 393 O SER A 28 10.981 8.333 -2.421 1.00 50.10 O ATOM 394 CB SER A 28 12.551 8.915 -4.800 1.00 11.51 C ATOM 395 OG SER A 28 13.840 8.610 -4.297 1.00 40.31 O ATOM 0 H SER A 28 10.497 8.284 -6.344 1.00 53.00 H new ATOM 0 HA SER A 28 12.189 6.834 -4.399 1.00 1.41 H new ATOM 0 HB2 SER A 28 12.625 9.201 -5.849 1.00 11.51 H new ATOM 0 HB3 SER A 28 12.142 9.772 -4.265 1.00 11.51 H new ATOM 0 HG SER A 28 14.425 9.389 -4.401 1.00 40.31 H new ATOM 400 N ASP A 29 9.324 7.805 -3.848 1.00 14.23 N ATOM 401 CA ASP A 29 8.265 8.019 -2.870 1.00 35.42 C ATOM 402 C ASP A 29 7.514 6.722 -2.589 1.00 35.52 C ATOM 403 O ASP A 29 7.025 6.062 -3.507 1.00 74.41 O ATOM 404 CB ASP A 29 7.291 9.089 -3.368 1.00 70.41 C ATOM 405 CG ASP A 29 7.992 10.380 -3.745 1.00 72.43 C ATOM 406 OD1 ASP A 29 9.190 10.518 -3.424 1.00 22.15 O ATOM 407 OD2 ASP A 29 7.341 11.251 -4.358 1.00 1.24 O ATOM 0 H ASP A 29 8.995 7.515 -4.769 1.00 14.23 H new ATOM 0 HA ASP A 29 8.725 8.360 -1.942 1.00 35.42 H new ATOM 0 HB2 ASP A 29 6.748 8.708 -4.233 1.00 70.41 H new ATOM 0 HB3 ASP A 29 6.552 9.293 -2.593 1.00 70.41 H new ATOM 411 N THR A 30 7.425 6.360 -1.311 1.00 4.45 N ATOM 412 CA THR A 30 6.735 5.141 -0.909 1.00 43.25 C ATOM 413 C THR A 30 5.319 5.441 -0.435 1.00 14.51 C ATOM 414 O THR A 30 4.954 6.600 -0.232 1.00 62.20 O ATOM 415 CB THR A 30 7.496 4.410 0.213 1.00 61.21 C ATOM 416 OG1 THR A 30 6.850 3.169 0.516 1.00 2.42 O ATOM 417 CG2 THR A 30 7.567 5.269 1.467 1.00 20.02 C ATOM 0 H THR A 30 7.822 6.894 -0.538 1.00 4.45 H new ATOM 0 HA THR A 30 6.691 4.498 -1.788 1.00 43.25 H new ATOM 0 HB THR A 30 8.511 4.216 -0.134 1.00 61.21 H new ATOM 0 HG1 THR A 30 7.341 2.710 1.229 1.00 2.42 H new ATOM 0 HG21 THR A 30 8.109 4.732 2.246 1.00 20.02 H new ATOM 0 HG22 THR A 30 8.085 6.201 1.241 1.00 20.02 H new ATOM 0 HG23 THR A 30 6.558 5.490 1.814 1.00 20.02 H new ATOM 425 N ILE A 31 4.523 4.391 -0.261 1.00 70.12 N ATOM 426 CA ILE A 31 3.146 4.544 0.192 1.00 50.21 C ATOM 427 C ILE A 31 3.076 5.362 1.477 1.00 4.31 C ATOM 428 O ILE A 31 2.084 6.041 1.737 1.00 62.30 O ATOM 429 CB ILE A 31 2.477 3.177 0.430 1.00 24.10 C ATOM 430 CG1 ILE A 31 2.084 2.537 -0.903 1.00 4.14 C ATOM 431 CG2 ILE A 31 1.258 3.333 1.328 1.00 22.14 C ATOM 432 CD1 ILE A 31 3.266 2.028 -1.700 1.00 21.21 C ATOM 0 H ILE A 31 4.808 3.426 -0.427 1.00 70.12 H new ATOM 0 HA ILE A 31 2.611 5.069 -0.599 1.00 50.21 H new ATOM 0 HB ILE A 31 3.191 2.522 0.929 1.00 24.10 H new ATOM 0 HG12 ILE A 31 1.401 1.709 -0.712 1.00 4.14 H new ATOM 0 HG13 ILE A 31 1.540 3.268 -1.501 1.00 4.14 H new ATOM 0 HG21 ILE A 31 0.796 2.359 1.487 1.00 22.14 H new ATOM 0 HG22 ILE A 31 1.564 3.750 2.287 1.00 22.14 H new ATOM 0 HG23 ILE A 31 0.540 4.002 0.854 1.00 22.14 H new ATOM 0 HD11 ILE A 31 2.913 1.587 -2.632 1.00 21.21 H new ATOM 0 HD12 ILE A 31 3.939 2.856 -1.922 1.00 21.21 H new ATOM 0 HD13 ILE A 31 3.798 1.274 -1.120 1.00 21.21 H new ATOM 443 N GLU A 32 4.137 5.293 2.274 1.00 50.54 N ATOM 444 CA GLU A 32 4.197 6.028 3.532 1.00 13.22 C ATOM 445 C GLU A 32 3.859 7.500 3.317 1.00 34.43 C ATOM 446 O GLU A 32 2.972 8.046 3.973 1.00 3.11 O ATOM 447 CB GLU A 32 5.587 5.899 4.159 1.00 15.05 C ATOM 448 CG GLU A 32 6.044 4.461 4.335 1.00 71.22 C ATOM 449 CD GLU A 32 5.030 3.613 5.078 1.00 72.12 C ATOM 450 OE1 GLU A 32 4.721 3.944 6.242 1.00 52.22 O ATOM 451 OE2 GLU A 32 4.546 2.620 4.497 1.00 14.01 O ATOM 0 H GLU A 32 4.967 4.736 2.071 1.00 50.54 H new ATOM 0 HA GLU A 32 3.460 5.598 4.210 1.00 13.22 H new ATOM 0 HB2 GLU A 32 6.308 6.427 3.535 1.00 15.05 H new ATOM 0 HB3 GLU A 32 5.585 6.392 5.131 1.00 15.05 H new ATOM 0 HG2 GLU A 32 6.232 4.021 3.356 1.00 71.22 H new ATOM 0 HG3 GLU A 32 6.990 4.448 4.877 1.00 71.22 H new ATOM 456 N ASN A 33 4.571 8.136 2.394 1.00 25.42 N ATOM 457 CA ASN A 33 4.348 9.546 2.093 1.00 31.01 C ATOM 458 C ASN A 33 3.102 9.728 1.231 1.00 52.43 C ATOM 459 O ASN A 33 2.303 10.636 1.459 1.00 62.00 O ATOM 460 CB ASN A 33 5.566 10.136 1.379 1.00 74.32 C ATOM 461 CG ASN A 33 6.861 9.857 2.118 1.00 1.10 C ATOM 462 OD1 ASN A 33 6.962 10.084 3.324 1.00 22.51 O ATOM 463 ND2 ASN A 33 7.859 9.362 1.395 1.00 73.43 N ATOM 0 H ASN A 33 5.308 7.698 1.841 1.00 25.42 H new ATOM 0 HA ASN A 33 4.197 10.073 3.035 1.00 31.01 H new ATOM 0 HB2 ASN A 33 5.629 9.723 0.372 1.00 74.32 H new ATOM 0 HB3 ASN A 33 5.436 11.213 1.274 1.00 74.32 H new ATOM 0 HD21 ASN A 33 8.755 9.154 1.837 1.00 73.43 H new ATOM 0 HD22 ASN A 33 7.730 9.190 0.398 1.00 73.43 H new ATOM 469 N VAL A 34 2.944 8.857 0.240 1.00 73.22 N ATOM 470 CA VAL A 34 1.794 8.919 -0.656 1.00 50.45 C ATOM 471 C VAL A 34 0.487 8.931 0.128 1.00 35.23 C ATOM 472 O VAL A 34 -0.485 9.572 -0.273 1.00 21.43 O ATOM 473 CB VAL A 34 1.782 7.731 -1.635 1.00 0.20 C ATOM 474 CG1 VAL A 34 0.502 7.730 -2.458 1.00 71.12 C ATOM 475 CG2 VAL A 34 3.004 7.773 -2.539 1.00 43.04 C ATOM 0 H VAL A 34 3.597 8.100 0.037 1.00 73.22 H new ATOM 0 HA VAL A 34 1.883 9.846 -1.222 1.00 50.45 H new ATOM 0 HB VAL A 34 1.816 6.807 -1.057 1.00 0.20 H new ATOM 0 HG11 VAL A 34 0.511 6.883 -3.144 1.00 71.12 H new ATOM 0 HG12 VAL A 34 -0.358 7.649 -1.793 1.00 71.12 H new ATOM 0 HG13 VAL A 34 0.434 8.657 -3.027 1.00 71.12 H new ATOM 0 HG21 VAL A 34 2.979 6.926 -3.224 1.00 43.04 H new ATOM 0 HG22 VAL A 34 3.003 8.702 -3.110 1.00 43.04 H new ATOM 0 HG23 VAL A 34 3.908 7.722 -1.932 1.00 43.04 H new ATOM 485 N LYS A 35 0.469 8.218 1.249 1.00 25.51 N ATOM 486 CA LYS A 35 -0.719 8.147 2.092 1.00 24.40 C ATOM 487 C LYS A 35 -1.224 9.544 2.441 1.00 4.52 C ATOM 488 O LYS A 35 -2.414 9.743 2.678 1.00 54.35 O ATOM 489 CB LYS A 35 -0.413 7.370 3.375 1.00 70.30 C ATOM 490 CG LYS A 35 -1.518 6.411 3.783 1.00 22.32 C ATOM 491 CD LYS A 35 -2.819 7.146 4.062 1.00 63.42 C ATOM 492 CE LYS A 35 -2.638 8.212 5.133 1.00 54.41 C ATOM 493 NZ LYS A 35 -3.921 8.894 5.458 1.00 52.11 N ATOM 0 H LYS A 35 1.264 7.681 1.595 1.00 25.51 H new ATOM 0 HA LYS A 35 -1.498 7.627 1.535 1.00 24.40 H new ATOM 0 HB2 LYS A 35 0.511 6.809 3.238 1.00 70.30 H new ATOM 0 HB3 LYS A 35 -0.240 8.078 4.186 1.00 70.30 H new ATOM 0 HG2 LYS A 35 -1.676 5.678 2.992 1.00 22.32 H new ATOM 0 HG3 LYS A 35 -1.213 5.860 4.672 1.00 22.32 H new ATOM 0 HD2 LYS A 35 -3.181 7.609 3.144 1.00 63.42 H new ATOM 0 HD3 LYS A 35 -3.580 6.433 4.381 1.00 63.42 H new ATOM 0 HE2 LYS A 35 -2.231 7.755 6.035 1.00 54.41 H new ATOM 0 HE3 LYS A 35 -1.911 8.949 4.793 1.00 54.41 H new ATOM 0 HZ1 LYS A 35 -3.742 9.669 6.128 1.00 52.11 H new ATOM 0 HZ2 LYS A 35 -4.340 9.279 4.587 1.00 52.11 H new ATOM 0 HZ3 LYS A 35 -4.578 8.211 5.886 1.00 52.11 H new ATOM 503 N ALA A 36 -0.310 10.509 2.466 1.00 53.05 N ATOM 504 CA ALA A 36 -0.663 11.888 2.780 1.00 55.03 C ATOM 505 C ALA A 36 -1.539 12.493 1.689 1.00 31.01 C ATOM 506 O ALA A 36 -2.509 13.196 1.973 1.00 62.33 O ATOM 507 CB ALA A 36 0.593 12.723 2.976 1.00 22.53 C ATOM 0 H ALA A 36 0.680 10.361 2.273 1.00 53.05 H new ATOM 0 HA ALA A 36 -1.234 11.888 3.709 1.00 55.03 H new ATOM 0 HB1 ALA A 36 0.314 13.750 3.210 1.00 22.53 H new ATOM 0 HB2 ALA A 36 1.180 12.310 3.797 1.00 22.53 H new ATOM 0 HB3 ALA A 36 1.187 12.707 2.062 1.00 22.53 H new ATOM 513 N LYS A 37 -1.192 12.215 0.436 1.00 63.40 N ATOM 514 CA LYS A 37 -1.945 12.731 -0.700 1.00 34.12 C ATOM 515 C LYS A 37 -3.413 12.326 -0.608 1.00 30.13 C ATOM 516 O LYS A 37 -4.307 13.136 -0.857 1.00 43.10 O ATOM 517 CB LYS A 37 -1.345 12.220 -2.011 1.00 12.01 C ATOM 518 CG LYS A 37 -1.247 13.284 -3.091 1.00 40.54 C ATOM 519 CD LYS A 37 -0.003 14.140 -2.919 1.00 72.43 C ATOM 520 CE LYS A 37 -0.299 15.395 -2.111 1.00 42.01 C ATOM 521 NZ LYS A 37 0.752 16.434 -2.297 1.00 25.21 N ATOM 0 H LYS A 37 -0.393 11.634 0.182 1.00 63.40 H new ATOM 0 HA LYS A 37 -1.884 13.819 -0.680 1.00 34.12 H new ATOM 0 HB2 LYS A 37 -0.350 11.821 -1.814 1.00 12.01 H new ATOM 0 HB3 LYS A 37 -1.952 11.394 -2.381 1.00 12.01 H new ATOM 0 HG2 LYS A 37 -1.230 12.808 -4.071 1.00 40.54 H new ATOM 0 HG3 LYS A 37 -2.133 13.918 -3.060 1.00 40.54 H new ATOM 0 HD2 LYS A 37 0.774 13.560 -2.421 1.00 72.43 H new ATOM 0 HD3 LYS A 37 0.386 14.419 -3.898 1.00 72.43 H new ATOM 0 HE2 LYS A 37 -1.266 15.799 -2.409 1.00 42.01 H new ATOM 0 HE3 LYS A 37 -0.373 15.138 -1.054 1.00 42.01 H new ATOM 0 HZ1 LYS A 37 0.515 17.273 -1.731 1.00 25.21 H new ATOM 0 HZ2 LYS A 37 1.671 16.057 -1.989 1.00 25.21 H new ATOM 0 HZ3 LYS A 37 0.805 16.698 -3.302 1.00 25.21 H new ATOM 531 N ILE A 38 -3.654 11.070 -0.248 1.00 2.40 N ATOM 532 CA ILE A 38 -5.013 10.560 -0.121 1.00 12.42 C ATOM 533 C ILE A 38 -5.643 10.993 1.199 1.00 3.22 C ATOM 534 O ILE A 38 -6.859 11.154 1.294 1.00 42.21 O ATOM 535 CB ILE A 38 -5.049 9.022 -0.213 1.00 22.30 C ATOM 536 CG1 ILE A 38 -6.494 8.524 -0.228 1.00 53.00 C ATOM 537 CG2 ILE A 38 -4.282 8.406 0.947 1.00 43.43 C ATOM 538 CD1 ILE A 38 -7.029 8.176 1.144 1.00 65.04 C ATOM 0 H ILE A 38 -2.926 10.387 -0.039 1.00 2.40 H new ATOM 0 HA ILE A 38 -5.585 10.979 -0.949 1.00 12.42 H new ATOM 0 HB ILE A 38 -4.571 8.716 -1.143 1.00 22.30 H new ATOM 0 HG12 ILE A 38 -7.129 9.290 -0.673 1.00 53.00 H new ATOM 0 HG13 ILE A 38 -6.560 7.644 -0.868 1.00 53.00 H new ATOM 0 HG21 ILE A 38 -4.316 7.319 0.869 1.00 43.43 H new ATOM 0 HG22 ILE A 38 -3.245 8.740 0.916 1.00 43.43 H new ATOM 0 HG23 ILE A 38 -4.735 8.717 1.889 1.00 43.43 H new ATOM 0 HD11 ILE A 38 -8.059 7.830 1.056 1.00 65.04 H new ATOM 0 HD12 ILE A 38 -6.418 7.388 1.584 1.00 65.04 H new ATOM 0 HD13 ILE A 38 -6.996 9.059 1.782 1.00 65.04 H new ATOM 549 N GLN A 39 -4.805 11.183 2.213 1.00 54.25 N ATOM 550 CA GLN A 39 -5.280 11.599 3.528 1.00 11.04 C ATOM 551 C GLN A 39 -6.143 12.852 3.422 1.00 24.13 C ATOM 552 O GLN A 39 -7.076 13.043 4.202 1.00 61.25 O ATOM 553 CB GLN A 39 -4.096 11.857 4.462 1.00 14.10 C ATOM 554 CG GLN A 39 -3.758 13.330 4.623 1.00 20.40 C ATOM 555 CD GLN A 39 -4.652 14.027 5.630 1.00 32.14 C ATOM 556 OE1 GLN A 39 -5.419 14.925 5.279 1.00 21.42 O ATOM 557 NE2 GLN A 39 -4.559 13.618 6.890 1.00 42.40 N ATOM 0 H GLN A 39 -3.795 11.056 2.150 1.00 54.25 H new ATOM 0 HA GLN A 39 -5.889 10.794 3.940 1.00 11.04 H new ATOM 0 HB2 GLN A 39 -4.318 11.435 5.442 1.00 14.10 H new ATOM 0 HB3 GLN A 39 -3.221 11.332 4.079 1.00 14.10 H new ATOM 0 HG2 GLN A 39 -2.719 13.428 4.936 1.00 20.40 H new ATOM 0 HG3 GLN A 39 -3.848 13.827 3.657 1.00 20.40 H new ATOM 0 HE21 GLN A 39 -3.910 12.871 7.137 1.00 42.40 H new ATOM 0 HE22 GLN A 39 -5.136 14.051 7.611 1.00 42.40 H new ATOM 564 N ASP A 40 -5.824 13.705 2.454 1.00 44.45 N ATOM 565 CA ASP A 40 -6.570 14.940 2.247 1.00 23.43 C ATOM 566 C ASP A 40 -7.854 14.675 1.467 1.00 44.12 C ATOM 567 O ASP A 40 -8.829 15.417 1.585 1.00 13.30 O ATOM 568 CB ASP A 40 -5.709 15.962 1.504 1.00 24.24 C ATOM 569 CG ASP A 40 -6.253 17.373 1.621 1.00 74.24 C ATOM 570 OD1 ASP A 40 -7.394 17.530 2.104 1.00 72.53 O ATOM 571 OD2 ASP A 40 -5.538 18.318 1.230 1.00 34.24 O ATOM 0 H ASP A 40 -5.054 13.563 1.801 1.00 44.45 H new ATOM 0 HA ASP A 40 -6.836 15.343 3.224 1.00 23.43 H new ATOM 0 HB2 ASP A 40 -4.694 15.933 1.900 1.00 24.24 H new ATOM 0 HB3 ASP A 40 -5.649 15.685 0.451 1.00 24.24 H new ATOM 575 N LYS A 41 -7.846 13.612 0.668 1.00 32.32 N ATOM 576 CA LYS A 41 -9.009 13.248 -0.132 1.00 71.40 C ATOM 577 C LYS A 41 -10.103 12.643 0.742 1.00 72.15 C ATOM 578 O LYS A 41 -11.245 13.101 0.728 1.00 41.53 O ATOM 579 CB LYS A 41 -8.610 12.256 -1.227 1.00 62.24 C ATOM 580 CG LYS A 41 -7.333 12.637 -1.956 1.00 22.12 C ATOM 581 CD LYS A 41 -7.493 13.944 -2.715 1.00 43.33 C ATOM 582 CE LYS A 41 -6.283 14.847 -2.529 1.00 72.31 C ATOM 583 NZ LYS A 41 -6.632 16.283 -2.707 1.00 24.03 N ATOM 0 H LYS A 41 -7.047 12.988 0.558 1.00 32.32 H new ATOM 0 HA LYS A 41 -9.398 14.155 -0.595 1.00 71.40 H new ATOM 0 HB2 LYS A 41 -8.484 11.269 -0.783 1.00 62.24 H new ATOM 0 HB3 LYS A 41 -9.422 12.179 -1.950 1.00 62.24 H new ATOM 0 HG2 LYS A 41 -6.517 12.729 -1.239 1.00 22.12 H new ATOM 0 HG3 LYS A 41 -7.059 11.843 -2.651 1.00 22.12 H new ATOM 0 HD2 LYS A 41 -7.633 13.735 -3.776 1.00 43.33 H new ATOM 0 HD3 LYS A 41 -8.390 14.459 -2.370 1.00 43.33 H new ATOM 0 HE2 LYS A 41 -5.866 14.695 -1.534 1.00 72.31 H new ATOM 0 HE3 LYS A 41 -5.509 14.570 -3.245 1.00 72.31 H new ATOM 0 HZ1 LYS A 41 -5.781 16.866 -2.572 1.00 24.03 H new ATOM 0 HZ2 LYS A 41 -7.007 16.433 -3.666 1.00 24.03 H new ATOM 0 HZ3 LYS A 41 -7.352 16.555 -2.007 1.00 24.03 H new ATOM 593 N GLU A 42 -9.745 11.613 1.502 1.00 72.14 N ATOM 594 CA GLU A 42 -10.697 10.946 2.383 1.00 60.33 C ATOM 595 C GLU A 42 -10.189 10.931 3.822 1.00 32.41 C ATOM 596 O GLU A 42 -10.967 11.044 4.768 1.00 24.44 O ATOM 597 CB GLU A 42 -10.953 9.515 1.906 1.00 43.10 C ATOM 598 CG GLU A 42 -11.971 9.422 0.781 1.00 41.15 C ATOM 599 CD GLU A 42 -13.393 9.290 1.292 1.00 24.43 C ATOM 600 OE1 GLU A 42 -13.688 9.846 2.370 1.00 72.54 O ATOM 601 OE2 GLU A 42 -14.209 8.634 0.614 1.00 51.33 O ATOM 0 H GLU A 42 -8.803 11.222 1.526 1.00 72.14 H new ATOM 0 HA GLU A 42 -11.633 11.504 2.352 1.00 60.33 H new ATOM 0 HB2 GLU A 42 -10.012 9.079 1.570 1.00 43.10 H new ATOM 0 HB3 GLU A 42 -11.299 8.916 2.749 1.00 43.10 H new ATOM 0 HG2 GLU A 42 -11.895 10.310 0.153 1.00 41.15 H new ATOM 0 HG3 GLU A 42 -11.734 8.565 0.151 1.00 41.15 H new ATOM 606 N GLY A 43 -8.876 10.790 3.978 1.00 72.04 N ATOM 607 CA GLY A 43 -8.286 10.760 5.304 1.00 24.25 C ATOM 608 C GLY A 43 -8.403 9.400 5.961 1.00 23.12 C ATOM 609 O GLY A 43 -8.786 9.297 7.127 1.00 21.34 O ATOM 0 H GLY A 43 -8.211 10.696 3.210 1.00 72.04 H new ATOM 0 HA2 GLY A 43 -7.234 11.038 5.236 1.00 24.25 H new ATOM 0 HA3 GLY A 43 -8.773 11.506 5.932 1.00 24.25 H new ATOM 613 N ILE A 44 -8.073 8.353 5.213 1.00 62.22 N ATOM 614 CA ILE A 44 -8.144 6.993 5.730 1.00 71.04 C ATOM 615 C ILE A 44 -7.002 6.714 6.702 1.00 73.34 C ATOM 616 O ILE A 44 -5.894 7.230 6.560 1.00 43.55 O ATOM 617 CB ILE A 44 -8.099 5.955 4.593 1.00 53.13 C ATOM 618 CG1 ILE A 44 -9.470 5.296 4.421 1.00 0.04 C ATOM 619 CG2 ILE A 44 -7.033 4.906 4.875 1.00 31.31 C ATOM 620 CD1 ILE A 44 -10.421 6.097 3.561 1.00 2.24 C ATOM 0 H ILE A 44 -7.754 8.421 4.247 1.00 62.22 H new ATOM 0 HA ILE A 44 -9.095 6.905 6.255 1.00 71.04 H new ATOM 0 HB ILE A 44 -7.842 6.465 3.665 1.00 53.13 H new ATOM 0 HG12 ILE A 44 -9.337 4.309 3.979 1.00 0.04 H new ATOM 0 HG13 ILE A 44 -9.919 5.147 5.403 1.00 0.04 H new ATOM 0 HG21 ILE A 44 -7.013 4.180 4.063 1.00 31.31 H new ATOM 0 HG22 ILE A 44 -6.059 5.389 4.953 1.00 31.31 H new ATOM 0 HG23 ILE A 44 -7.262 4.397 5.811 1.00 31.31 H new ATOM 0 HD11 ILE A 44 -11.372 5.570 3.483 1.00 2.24 H new ATOM 0 HD12 ILE A 44 -10.584 7.075 4.013 1.00 2.24 H new ATOM 0 HD13 ILE A 44 -9.993 6.224 2.566 1.00 2.24 H new ATOM 631 N PRO A 45 -7.277 5.877 7.715 1.00 20.03 N ATOM 632 CA PRO A 45 -6.286 5.509 8.730 1.00 3.34 C ATOM 633 C PRO A 45 -5.183 4.620 8.165 1.00 64.41 C ATOM 634 O PRO A 45 -5.412 3.475 7.777 1.00 2.01 O ATOM 635 CB PRO A 45 -7.109 4.744 9.769 1.00 21.44 C ATOM 636 CG PRO A 45 -8.274 4.209 9.010 1.00 62.21 C ATOM 637 CD PRO A 45 -8.578 5.227 7.946 1.00 54.45 C ATOM 0 HA PRO A 45 -5.771 6.381 9.133 1.00 3.34 H new ATOM 0 HB2 PRO A 45 -6.528 3.940 10.221 1.00 21.44 H new ATOM 0 HB3 PRO A 45 -7.431 5.398 10.579 1.00 21.44 H new ATOM 0 HG2 PRO A 45 -8.040 3.240 8.568 1.00 62.21 H new ATOM 0 HG3 PRO A 45 -9.132 4.061 9.665 1.00 62.21 H new ATOM 0 HD2 PRO A 45 -8.960 4.759 7.039 1.00 54.45 H new ATOM 0 HD3 PRO A 45 -9.331 5.942 8.277 1.00 54.45 H new ATOM 642 N PRO A 46 -3.955 5.158 8.119 1.00 65.21 N ATOM 643 CA PRO A 46 -2.790 4.430 7.606 1.00 0.24 C ATOM 644 C PRO A 46 -2.364 3.293 8.528 1.00 15.22 C ATOM 645 O PRO A 46 -1.673 2.365 8.106 1.00 71.14 O ATOM 646 CB PRO A 46 -1.701 5.503 7.541 1.00 50.04 C ATOM 647 CG PRO A 46 -2.104 6.513 8.560 1.00 2.23 C ATOM 648 CD PRO A 46 -3.607 6.517 8.566 1.00 22.04 C ATOM 0 HA PRO A 46 -2.997 3.955 6.647 1.00 0.24 H new ATOM 0 HB2 PRO A 46 -0.719 5.085 7.764 1.00 50.04 H new ATOM 0 HB3 PRO A 46 -1.640 5.946 6.547 1.00 50.04 H new ATOM 0 HG2 PRO A 46 -1.710 6.254 9.543 1.00 2.23 H new ATOM 0 HG3 PRO A 46 -1.712 7.499 8.309 1.00 2.23 H new ATOM 0 HD2 PRO A 46 -4.004 6.727 9.559 1.00 22.04 H new ATOM 0 HD3 PRO A 46 -4.009 7.276 7.895 1.00 22.04 H new ATOM 653 N ASP A 47 -2.782 3.369 9.786 1.00 21.42 N ATOM 654 CA ASP A 47 -2.445 2.346 10.768 1.00 34.11 C ATOM 655 C ASP A 47 -3.007 0.989 10.353 1.00 25.41 C ATOM 656 O ASP A 47 -2.352 -0.040 10.517 1.00 13.33 O ATOM 657 CB ASP A 47 -2.982 2.734 12.146 1.00 73.51 C ATOM 658 CG ASP A 47 -1.981 3.537 12.953 1.00 3.13 C ATOM 659 OD1 ASP A 47 -0.932 3.914 12.390 1.00 54.21 O ATOM 660 OD2 ASP A 47 -2.245 3.788 14.148 1.00 12.44 O ATOM 0 H ASP A 47 -3.356 4.130 10.150 1.00 21.42 H new ATOM 0 HA ASP A 47 -1.359 2.270 10.819 1.00 34.11 H new ATOM 0 HB2 ASP A 47 -3.897 3.315 12.026 1.00 73.51 H new ATOM 0 HB3 ASP A 47 -3.247 1.831 12.696 1.00 73.51 H new ATOM 664 N GLN A 48 -4.223 0.997 9.817 1.00 42.22 N ATOM 665 CA GLN A 48 -4.873 -0.233 9.380 1.00 64.41 C ATOM 666 C GLN A 48 -4.966 -0.289 7.859 1.00 51.23 C ATOM 667 O GLN A 48 -5.194 -1.352 7.281 1.00 74.43 O ATOM 668 CB GLN A 48 -6.270 -0.342 9.994 1.00 2.30 C ATOM 669 CG GLN A 48 -6.281 -0.218 11.508 1.00 60.20 C ATOM 670 CD GLN A 48 -5.622 -1.398 12.195 1.00 74.52 C ATOM 671 OE1 GLN A 48 -4.429 -1.368 12.498 1.00 10.21 O ATOM 672 NE2 GLN A 48 -6.398 -2.446 12.445 1.00 73.41 N ATOM 0 H GLN A 48 -4.778 1.841 9.675 1.00 42.22 H new ATOM 0 HA GLN A 48 -4.269 -1.074 9.719 1.00 64.41 H new ATOM 0 HB2 GLN A 48 -6.906 0.435 9.570 1.00 2.30 H new ATOM 0 HB3 GLN A 48 -6.707 -1.300 9.713 1.00 2.30 H new ATOM 0 HG2 GLN A 48 -5.768 0.699 11.797 1.00 60.20 H new ATOM 0 HG3 GLN A 48 -7.311 -0.130 11.854 1.00 60.20 H new ATOM 0 HE21 GLN A 48 -7.382 -2.428 12.176 1.00 73.41 H new ATOM 0 HE22 GLN A 48 -6.010 -3.269 12.906 1.00 73.41 H new ATOM 679 N GLN A 49 -4.788 0.861 7.218 1.00 2.23 N ATOM 680 CA GLN A 49 -4.854 0.941 5.763 1.00 23.51 C ATOM 681 C GLN A 49 -4.139 -0.242 5.120 1.00 3.11 C ATOM 682 O GLN A 49 -3.093 -0.682 5.597 1.00 65.24 O ATOM 683 CB GLN A 49 -4.235 2.253 5.276 1.00 32.35 C ATOM 684 CG GLN A 49 -4.213 2.389 3.761 1.00 72.21 C ATOM 685 CD GLN A 49 -3.234 3.444 3.285 1.00 60.13 C ATOM 686 OE1 GLN A 49 -3.632 4.515 2.824 1.00 71.35 O ATOM 687 NE2 GLN A 49 -1.944 3.147 3.393 1.00 34.05 N ATOM 0 H GLN A 49 -4.597 1.749 7.682 1.00 2.23 H new ATOM 0 HA GLN A 49 -5.903 0.911 5.469 1.00 23.51 H new ATOM 0 HB2 GLN A 49 -4.793 3.088 5.700 1.00 32.35 H new ATOM 0 HB3 GLN A 49 -3.215 2.327 5.654 1.00 32.35 H new ATOM 0 HG2 GLN A 49 -3.951 1.429 3.317 1.00 72.21 H new ATOM 0 HG3 GLN A 49 -5.213 2.641 3.408 1.00 72.21 H new ATOM 0 HE21 GLN A 49 -1.658 2.248 3.781 1.00 34.05 H new ATOM 0 HE22 GLN A 49 -1.239 3.818 3.088 1.00 34.05 H new ATOM 694 N ARG A 50 -4.709 -0.752 4.033 1.00 74.05 N ATOM 695 CA ARG A 50 -4.126 -1.886 3.325 1.00 35.33 C ATOM 696 C ARG A 50 -3.581 -1.456 1.967 1.00 1.52 C ATOM 697 O ARG A 50 -3.866 -0.356 1.490 1.00 75.11 O ATOM 698 CB ARG A 50 -5.169 -2.990 3.141 1.00 34.21 C ATOM 699 CG ARG A 50 -6.115 -3.138 4.322 1.00 63.54 C ATOM 700 CD ARG A 50 -6.948 -4.406 4.214 1.00 4.01 C ATOM 701 NE ARG A 50 -6.137 -5.608 4.386 1.00 61.15 N ATOM 702 CZ ARG A 50 -6.627 -6.841 4.314 1.00 51.11 C ATOM 703 NH1 ARG A 50 -7.917 -7.032 4.074 1.00 3.50 N ATOM 704 NH2 ARG A 50 -5.826 -7.885 4.482 1.00 40.32 N ATOM 0 H ARG A 50 -5.574 -0.398 3.623 1.00 74.05 H new ATOM 0 HA ARG A 50 -3.301 -2.271 3.924 1.00 35.33 H new ATOM 0 HB2 ARG A 50 -5.752 -2.782 2.244 1.00 34.21 H new ATOM 0 HB3 ARG A 50 -4.657 -3.938 2.976 1.00 34.21 H new ATOM 0 HG2 ARG A 50 -5.541 -3.156 5.249 1.00 63.54 H new ATOM 0 HG3 ARG A 50 -6.774 -2.271 4.372 1.00 63.54 H new ATOM 0 HD2 ARG A 50 -7.735 -4.388 4.968 1.00 4.01 H new ATOM 0 HD3 ARG A 50 -7.439 -4.436 3.241 1.00 4.01 H new ATOM 0 HE ARG A 50 -5.140 -5.495 4.571 1.00 61.15 H new ATOM 0 HH11 ARG A 50 -8.536 -6.231 3.944 1.00 3.50 H new ATOM 0 HH12 ARG A 50 -8.291 -7.979 4.019 1.00 3.50 H new ATOM 0 HH21 ARG A 50 -4.833 -7.742 4.667 1.00 40.32 H new ATOM 0 HH22 ARG A 50 -6.203 -8.831 4.427 1.00 40.32 H new ATOM 715 N LEU A 51 -2.793 -2.329 1.348 1.00 61.11 N ATOM 716 CA LEU A 51 -2.206 -2.040 0.045 1.00 13.43 C ATOM 717 C LEU A 51 -2.515 -3.154 -0.951 1.00 33.52 C ATOM 718 O LEU A 51 -2.340 -4.335 -0.650 1.00 12.01 O ATOM 719 CB LEU A 51 -0.692 -1.862 0.173 1.00 61.31 C ATOM 720 CG LEU A 51 -0.210 -0.454 0.529 1.00 73.14 C ATOM 721 CD1 LEU A 51 -0.906 0.045 1.787 1.00 4.02 C ATOM 722 CD2 LEU A 51 1.300 -0.439 0.710 1.00 61.52 C ATOM 0 H LEU A 51 -2.546 -3.243 1.728 1.00 61.11 H new ATOM 0 HA LEU A 51 -2.645 -1.114 -0.325 1.00 13.43 H new ATOM 0 HB2 LEU A 51 -0.328 -2.552 0.934 1.00 61.31 H new ATOM 0 HB3 LEU A 51 -0.231 -2.155 -0.770 1.00 61.31 H new ATOM 0 HG LEU A 51 -0.464 0.217 -0.292 1.00 73.14 H new ATOM 0 HD11 LEU A 51 -0.551 1.048 2.026 1.00 4.02 H new ATOM 0 HD12 LEU A 51 -1.983 0.071 1.621 1.00 4.02 H new ATOM 0 HD13 LEU A 51 -0.683 -0.626 2.617 1.00 4.02 H new ATOM 0 HD21 LEU A 51 1.626 0.570 0.963 1.00 61.52 H new ATOM 0 HD22 LEU A 51 1.577 -1.122 1.513 1.00 61.52 H new ATOM 0 HD23 LEU A 51 1.781 -0.754 -0.216 1.00 61.52 H new ATOM 733 N ILE A 52 -2.975 -2.769 -2.138 1.00 73.44 N ATOM 734 CA ILE A 52 -3.305 -3.735 -3.178 1.00 71.14 C ATOM 735 C ILE A 52 -2.706 -3.326 -4.518 1.00 25.24 C ATOM 736 O ILE A 52 -3.015 -2.258 -5.049 1.00 23.40 O ATOM 737 CB ILE A 52 -4.829 -3.893 -3.336 1.00 64.34 C ATOM 738 CG1 ILE A 52 -5.403 -4.707 -2.175 1.00 63.12 C ATOM 739 CG2 ILE A 52 -5.157 -4.553 -4.666 1.00 13.24 C ATOM 740 CD1 ILE A 52 -5.474 -3.938 -0.874 1.00 24.43 C ATOM 0 H ILE A 52 -3.127 -1.796 -2.402 1.00 73.44 H new ATOM 0 HA ILE A 52 -2.879 -4.690 -2.869 1.00 71.14 H new ATOM 0 HB ILE A 52 -5.286 -2.903 -3.321 1.00 64.34 H new ATOM 0 HG12 ILE A 52 -6.403 -5.048 -2.441 1.00 63.12 H new ATOM 0 HG13 ILE A 52 -4.791 -5.597 -2.029 1.00 63.12 H new ATOM 0 HG21 ILE A 52 -6.238 -4.658 -4.763 1.00 13.24 H new ATOM 0 HG22 ILE A 52 -4.777 -3.937 -5.481 1.00 13.24 H new ATOM 0 HG23 ILE A 52 -4.692 -5.538 -4.708 1.00 13.24 H new ATOM 0 HD11 ILE A 52 -5.891 -4.577 -0.096 1.00 24.43 H new ATOM 0 HD12 ILE A 52 -4.473 -3.620 -0.584 1.00 24.43 H new ATOM 0 HD13 ILE A 52 -6.110 -3.062 -1.003 1.00 24.43 H new ATOM 751 N PHE A 53 -1.847 -4.181 -5.063 1.00 33.21 N ATOM 752 CA PHE A 53 -1.204 -3.909 -6.343 1.00 52.01 C ATOM 753 C PHE A 53 -1.372 -5.088 -7.297 1.00 41.04 C ATOM 754 O PHE A 53 -0.820 -6.165 -7.073 1.00 75.42 O ATOM 755 CB PHE A 53 0.283 -3.612 -6.138 1.00 12.23 C ATOM 756 CG PHE A 53 1.079 -3.632 -7.411 1.00 31.55 C ATOM 757 CD1 PHE A 53 0.582 -3.044 -8.564 1.00 52.43 C ATOM 758 CD2 PHE A 53 2.325 -4.237 -7.456 1.00 70.10 C ATOM 759 CE1 PHE A 53 1.313 -3.061 -9.737 1.00 50.34 C ATOM 760 CE2 PHE A 53 3.060 -4.257 -8.626 1.00 13.13 C ATOM 761 CZ PHE A 53 2.553 -3.668 -9.768 1.00 3.11 C ATOM 0 H PHE A 53 -1.580 -5.069 -4.638 1.00 33.21 H new ATOM 0 HA PHE A 53 -1.684 -3.036 -6.784 1.00 52.01 H new ATOM 0 HB2 PHE A 53 0.389 -2.634 -5.668 1.00 12.23 H new ATOM 0 HB3 PHE A 53 0.700 -4.345 -5.447 1.00 12.23 H new ATOM 0 HD1 PHE A 53 -0.387 -2.567 -8.545 1.00 52.43 H new ATOM 0 HD2 PHE A 53 2.726 -4.698 -6.566 1.00 70.10 H new ATOM 0 HE1 PHE A 53 0.915 -2.600 -10.629 1.00 50.34 H new ATOM 0 HE2 PHE A 53 4.029 -4.732 -8.648 1.00 13.13 H new ATOM 0 HZ PHE A 53 3.125 -3.682 -10.684 1.00 3.11 H new ATOM 770 N ALA A 54 -2.137 -4.875 -8.362 1.00 32.14 N ATOM 771 CA ALA A 54 -2.376 -5.918 -9.352 1.00 31.32 C ATOM 772 C ALA A 54 -2.934 -7.177 -8.698 1.00 75.24 C ATOM 773 O ALA A 54 -2.661 -8.292 -9.142 1.00 40.02 O ATOM 774 CB ALA A 54 -1.093 -6.236 -10.105 1.00 13.04 C ATOM 0 H ALA A 54 -2.602 -3.989 -8.562 1.00 32.14 H new ATOM 0 HA ALA A 54 -3.117 -5.549 -10.061 1.00 31.32 H new ATOM 0 HB1 ALA A 54 -1.287 -7.016 -10.841 1.00 13.04 H new ATOM 0 HB2 ALA A 54 -0.737 -5.339 -10.612 1.00 13.04 H new ATOM 0 HB3 ALA A 54 -0.334 -6.580 -9.402 1.00 13.04 H new ATOM 780 N GLY A 55 -3.716 -6.993 -7.638 1.00 21.31 N ATOM 781 CA GLY A 55 -4.299 -8.124 -6.939 1.00 24.01 C ATOM 782 C GLY A 55 -3.406 -8.640 -5.829 1.00 52.52 C ATOM 783 O GLY A 55 -3.854 -9.388 -4.959 1.00 10.34 O ATOM 0 H GLY A 55 -3.956 -6.080 -7.251 1.00 21.31 H new ATOM 0 HA2 GLY A 55 -5.262 -7.832 -6.521 1.00 24.01 H new ATOM 0 HA3 GLY A 55 -4.491 -8.927 -7.650 1.00 24.01 H new ATOM 787 N LYS A 56 -2.138 -8.244 -5.857 1.00 31.24 N ATOM 788 CA LYS A 56 -1.179 -8.672 -4.846 1.00 61.31 C ATOM 789 C LYS A 56 -1.002 -7.599 -3.776 1.00 1.02 C ATOM 790 O LYS A 56 -0.677 -6.452 -4.082 1.00 13.31 O ATOM 791 CB LYS A 56 0.170 -8.988 -5.494 1.00 41.51 C ATOM 792 CG LYS A 56 0.905 -10.144 -4.838 1.00 40.11 C ATOM 793 CD LYS A 56 2.050 -10.641 -5.704 1.00 52.32 C ATOM 794 CE LYS A 56 1.587 -11.715 -6.677 1.00 43.54 C ATOM 795 NZ LYS A 56 2.710 -12.594 -7.108 1.00 50.22 N ATOM 0 H LYS A 56 -1.750 -7.626 -6.570 1.00 31.24 H new ATOM 0 HA LYS A 56 -1.567 -9.573 -4.372 1.00 61.31 H new ATOM 0 HB2 LYS A 56 0.012 -9.220 -6.547 1.00 41.51 H new ATOM 0 HB3 LYS A 56 0.800 -8.099 -5.454 1.00 41.51 H new ATOM 0 HG2 LYS A 56 1.291 -9.828 -3.869 1.00 40.11 H new ATOM 0 HG3 LYS A 56 0.208 -10.961 -4.652 1.00 40.11 H new ATOM 0 HD2 LYS A 56 2.477 -9.806 -6.259 1.00 52.32 H new ATOM 0 HD3 LYS A 56 2.841 -11.040 -5.069 1.00 52.32 H new ATOM 0 HE2 LYS A 56 0.811 -12.320 -6.208 1.00 43.54 H new ATOM 0 HE3 LYS A 56 1.138 -11.244 -7.551 1.00 43.54 H new ATOM 0 HZ1 LYS A 56 2.354 -13.313 -7.770 1.00 50.22 H new ATOM 0 HZ2 LYS A 56 3.439 -12.020 -7.578 1.00 50.22 H new ATOM 0 HZ3 LYS A 56 3.122 -13.063 -6.277 1.00 50.22 H new ATOM 805 N GLN A 57 -1.215 -7.980 -2.521 1.00 35.31 N ATOM 806 CA GLN A 57 -1.077 -7.050 -1.406 1.00 54.10 C ATOM 807 C GLN A 57 0.388 -6.874 -1.021 1.00 52.45 C ATOM 808 O GLN A 57 1.185 -7.808 -1.128 1.00 3.33 O ATOM 809 CB GLN A 57 -1.878 -7.545 -0.200 1.00 2.03 C ATOM 810 CG GLN A 57 -1.534 -6.825 1.094 1.00 75.34 C ATOM 811 CD GLN A 57 -2.676 -6.840 2.091 1.00 53.12 C ATOM 812 OE1 GLN A 57 -3.692 -7.503 1.879 1.00 75.25 O ATOM 813 NE2 GLN A 57 -2.515 -6.109 3.187 1.00 33.52 N ATOM 0 H GLN A 57 -1.484 -8.926 -2.250 1.00 35.31 H new ATOM 0 HA GLN A 57 -1.469 -6.083 -1.722 1.00 54.10 H new ATOM 0 HB2 GLN A 57 -2.941 -7.420 -0.404 1.00 2.03 H new ATOM 0 HB3 GLN A 57 -1.702 -8.613 -0.070 1.00 2.03 H new ATOM 0 HG2 GLN A 57 -0.658 -7.292 1.544 1.00 75.34 H new ATOM 0 HG3 GLN A 57 -1.265 -5.793 0.871 1.00 75.34 H new ATOM 0 HE21 GLN A 57 -1.657 -5.575 3.322 1.00 33.52 H new ATOM 0 HE22 GLN A 57 -3.250 -6.081 3.894 1.00 33.52 H new ATOM 820 N LEU A 58 0.737 -5.674 -0.573 1.00 53.11 N ATOM 821 CA LEU A 58 2.107 -5.375 -0.172 1.00 53.42 C ATOM 822 C LEU A 58 2.431 -6.013 1.175 1.00 61.34 C ATOM 823 O LEU A 58 1.614 -6.737 1.743 1.00 14.52 O ATOM 824 CB LEU A 58 2.319 -3.863 -0.097 1.00 4.11 C ATOM 825 CG LEU A 58 2.609 -3.159 -1.424 1.00 74.10 C ATOM 826 CD1 LEU A 58 3.906 -3.672 -2.029 1.00 42.11 C ATOM 827 CD2 LEU A 58 1.452 -3.354 -2.394 1.00 42.55 C ATOM 0 H LEU A 58 0.090 -4.891 -0.478 1.00 53.11 H new ATOM 0 HA LEU A 58 2.778 -5.793 -0.922 1.00 53.42 H new ATOM 0 HB2 LEU A 58 1.429 -3.413 0.343 1.00 4.11 H new ATOM 0 HB3 LEU A 58 3.146 -3.666 0.584 1.00 4.11 H new ATOM 0 HG LEU A 58 2.720 -2.092 -1.231 1.00 74.10 H new ATOM 0 HD11 LEU A 58 4.095 -3.160 -2.972 1.00 42.11 H new ATOM 0 HD12 LEU A 58 4.729 -3.481 -1.341 1.00 42.11 H new ATOM 0 HD13 LEU A 58 3.825 -4.744 -2.209 1.00 42.11 H new ATOM 0 HD21 LEU A 58 1.675 -2.847 -3.333 1.00 42.55 H new ATOM 0 HD22 LEU A 58 1.310 -4.418 -2.581 1.00 42.55 H new ATOM 0 HD23 LEU A 58 0.542 -2.937 -1.963 1.00 42.55 H new ATOM 890 N THR A 63 9.704 1.969 -1.702 1.00 5.31 N ATOM 891 CA THR A 63 9.551 2.836 -2.864 1.00 51.20 C ATOM 892 C THR A 63 9.397 2.020 -4.143 1.00 40.24 C ATOM 893 O THR A 63 9.791 0.854 -4.199 1.00 70.04 O ATOM 894 CB THR A 63 10.753 3.788 -3.018 1.00 54.52 C ATOM 895 OG1 THR A 63 11.876 3.076 -3.548 1.00 65.33 O ATOM 896 CG2 THR A 63 11.124 4.410 -1.681 1.00 61.50 C ATOM 0 HA THR A 63 8.649 3.425 -2.701 1.00 51.20 H new ATOM 0 HB THR A 63 10.472 4.586 -3.706 1.00 54.52 H new ATOM 0 HG1 THR A 63 12.511 3.711 -3.939 1.00 65.33 H new ATOM 0 HG21 THR A 63 11.975 5.078 -1.814 1.00 61.50 H new ATOM 0 HG22 THR A 63 10.276 4.975 -1.295 1.00 61.50 H new ATOM 0 HG23 THR A 63 11.388 3.623 -0.974 1.00 61.50 H new ATOM 904 N LEU A 64 8.823 2.638 -5.169 1.00 60.42 N ATOM 905 CA LEU A 64 8.618 1.969 -6.448 1.00 54.34 C ATOM 906 C LEU A 64 9.951 1.590 -7.085 1.00 23.11 C ATOM 907 O LEU A 64 10.084 0.525 -7.686 1.00 13.22 O ATOM 908 CB LEU A 64 7.825 2.869 -7.396 1.00 13.23 C ATOM 909 CG LEU A 64 7.747 2.408 -8.852 1.00 60.32 C ATOM 910 CD1 LEU A 64 6.323 2.013 -9.212 1.00 42.02 C ATOM 911 CD2 LEU A 64 8.251 3.500 -9.785 1.00 35.21 C ATOM 0 H LEU A 64 8.491 3.602 -5.140 1.00 60.42 H new ATOM 0 HA LEU A 64 8.051 1.056 -6.265 1.00 54.34 H new ATOM 0 HB2 LEU A 64 6.810 2.963 -7.011 1.00 13.23 H new ATOM 0 HB3 LEU A 64 8.268 3.865 -7.374 1.00 13.23 H new ATOM 0 HG LEU A 64 8.386 1.533 -8.970 1.00 60.32 H new ATOM 0 HD11 LEU A 64 6.287 1.688 -10.252 1.00 42.02 H new ATOM 0 HD12 LEU A 64 5.997 1.198 -8.566 1.00 42.02 H new ATOM 0 HD13 LEU A 64 5.663 2.870 -9.077 1.00 42.02 H new ATOM 0 HD21 LEU A 64 8.188 3.154 -10.817 1.00 35.21 H new ATOM 0 HD22 LEU A 64 7.639 4.394 -9.664 1.00 35.21 H new ATOM 0 HD23 LEU A 64 9.288 3.735 -9.544 1.00 35.21 H new ATOM 922 N SER A 65 10.938 2.471 -6.947 1.00 13.33 N ATOM 923 CA SER A 65 12.261 2.231 -7.511 1.00 23.11 C ATOM 924 C SER A 65 12.998 1.149 -6.726 1.00 32.23 C ATOM 925 O SER A 65 13.518 0.195 -7.304 1.00 24.12 O ATOM 926 CB SER A 65 13.081 3.523 -7.512 1.00 73.12 C ATOM 927 OG SER A 65 14.357 3.317 -8.093 1.00 11.03 O ATOM 0 H SER A 65 10.846 3.357 -6.450 1.00 13.33 H new ATOM 0 HA SER A 65 12.134 1.889 -8.538 1.00 23.11 H new ATOM 0 HB2 SER A 65 12.547 4.296 -8.065 1.00 73.12 H new ATOM 0 HB3 SER A 65 13.197 3.884 -6.490 1.00 73.12 H new ATOM 0 HG SER A 65 14.861 4.158 -8.083 1.00 11.03 H new ATOM 932 N GLU A 66 13.034 1.305 -5.407 1.00 22.41 N ATOM 933 CA GLU A 66 13.707 0.342 -4.543 1.00 65.23 C ATOM 934 C GLU A 66 13.116 -1.053 -4.719 1.00 31.13 C ATOM 935 O GLU A 66 13.841 -2.048 -4.747 1.00 60.02 O ATOM 936 CB GLU A 66 13.598 0.774 -3.078 1.00 14.23 C ATOM 937 CG GLU A 66 14.435 1.995 -2.740 1.00 64.14 C ATOM 938 CD GLU A 66 15.881 1.647 -2.443 1.00 1.53 C ATOM 939 OE1 GLU A 66 16.203 0.441 -2.397 1.00 75.31 O ATOM 940 OE2 GLU A 66 16.690 2.579 -2.258 1.00 2.52 O ATOM 0 H GLU A 66 12.606 2.088 -4.913 1.00 22.41 H new ATOM 0 HA GLU A 66 14.759 0.310 -4.827 1.00 65.23 H new ATOM 0 HB2 GLU A 66 12.554 0.984 -2.847 1.00 14.23 H new ATOM 0 HB3 GLU A 66 13.905 -0.055 -2.440 1.00 14.23 H new ATOM 0 HG2 GLU A 66 14.398 2.698 -3.572 1.00 64.14 H new ATOM 0 HG3 GLU A 66 14.002 2.500 -1.877 1.00 64.14 H new ATOM 945 N TYR A 67 11.794 -1.119 -4.837 1.00 24.13 N ATOM 946 CA TYR A 67 11.104 -2.391 -5.008 1.00 11.33 C ATOM 947 C TYR A 67 11.048 -2.787 -6.480 1.00 11.33 C ATOM 948 O TYR A 67 10.627 -3.892 -6.822 1.00 44.13 O ATOM 949 CB TYR A 67 9.687 -2.307 -4.437 1.00 60.14 C ATOM 950 CG TYR A 67 9.326 -3.470 -3.539 1.00 2.53 C ATOM 951 CD1 TYR A 67 9.661 -4.772 -3.890 1.00 53.32 C ATOM 952 CD2 TYR A 67 8.651 -3.266 -2.344 1.00 33.32 C ATOM 953 CE1 TYR A 67 9.333 -5.838 -3.074 1.00 32.14 C ATOM 954 CE2 TYR A 67 8.320 -4.325 -1.521 1.00 70.33 C ATOM 955 CZ TYR A 67 8.663 -5.609 -1.890 1.00 3.10 C ATOM 956 OH TYR A 67 8.334 -6.667 -1.074 1.00 72.43 O ATOM 0 H TYR A 67 11.179 -0.305 -4.817 1.00 24.13 H new ATOM 0 HA TYR A 67 11.663 -3.154 -4.466 1.00 11.33 H new ATOM 0 HB2 TYR A 67 9.585 -1.379 -3.874 1.00 60.14 H new ATOM 0 HB3 TYR A 67 8.975 -2.260 -5.261 1.00 60.14 H new ATOM 0 HD1 TYR A 67 10.186 -4.954 -4.816 1.00 53.32 H new ATOM 0 HD2 TYR A 67 8.380 -2.262 -2.052 1.00 33.32 H new ATOM 0 HE1 TYR A 67 9.600 -6.844 -3.361 1.00 32.14 H new ATOM 0 HE2 TYR A 67 7.795 -4.148 -0.594 1.00 70.33 H new ATOM 0 HH TYR A 67 7.866 -6.334 -0.280 1.00 72.43 H new ATOM 965 N ASN A 68 11.476 -1.877 -7.349 1.00 31.41 N ATOM 966 CA ASN A 68 11.476 -2.129 -8.784 1.00 53.31 C ATOM 967 C ASN A 68 10.116 -2.644 -9.246 1.00 10.14 C ATOM 968 O ASN A 68 10.023 -3.408 -10.207 1.00 40.24 O ATOM 969 CB ASN A 68 12.565 -3.142 -9.145 1.00 3.31 C ATOM 970 CG ASN A 68 13.960 -2.613 -8.869 1.00 14.05 C ATOM 971 OD1 ASN A 68 14.539 -2.879 -7.816 1.00 40.22 O ATOM 972 ND2 ASN A 68 14.504 -1.860 -9.817 1.00 44.23 N ATOM 0 H ASN A 68 11.828 -0.957 -7.083 1.00 31.41 H new ATOM 0 HA ASN A 68 11.681 -1.187 -9.293 1.00 53.31 H new ATOM 0 HB2 ASN A 68 12.408 -4.059 -8.577 1.00 3.31 H new ATOM 0 HB3 ASN A 68 12.480 -3.403 -10.200 1.00 3.31 H new ATOM 0 HD21 ASN A 68 15.440 -1.475 -9.688 1.00 44.23 H new ATOM 0 HD22 ASN A 68 13.986 -1.666 -10.674 1.00 44.23 H new ATOM 978 N ILE A 69 9.063 -2.219 -8.555 1.00 65.42 N ATOM 979 CA ILE A 69 7.708 -2.635 -8.895 1.00 52.14 C ATOM 980 C ILE A 69 7.053 -1.645 -9.851 1.00 12.35 C ATOM 981 O ILE A 69 7.489 -0.500 -9.970 1.00 41.14 O ATOM 982 CB ILE A 69 6.830 -2.774 -7.637 1.00 3.42 C ATOM 983 CG1 ILE A 69 6.793 -1.454 -6.865 1.00 24.40 C ATOM 984 CG2 ILE A 69 7.347 -3.898 -6.752 1.00 60.14 C ATOM 985 CD1 ILE A 69 5.840 -1.467 -5.690 1.00 1.43 C ATOM 0 H ILE A 69 9.122 -1.587 -7.757 1.00 65.42 H new ATOM 0 HA ILE A 69 7.789 -3.607 -9.381 1.00 52.14 H new ATOM 0 HB ILE A 69 5.814 -3.020 -7.946 1.00 3.42 H new ATOM 0 HG12 ILE A 69 7.796 -1.224 -6.506 1.00 24.40 H new ATOM 0 HG13 ILE A 69 6.507 -0.652 -7.546 1.00 24.40 H new ATOM 0 HG21 ILE A 69 6.716 -3.984 -5.867 1.00 60.14 H new ATOM 0 HG22 ILE A 69 7.325 -4.837 -7.306 1.00 60.14 H new ATOM 0 HG23 ILE A 69 8.371 -3.680 -6.448 1.00 60.14 H new ATOM 0 HD11 ILE A 69 5.866 -0.499 -5.190 1.00 1.43 H new ATOM 0 HD12 ILE A 69 4.828 -1.665 -6.044 1.00 1.43 H new ATOM 0 HD13 ILE A 69 6.138 -2.246 -4.988 1.00 1.43 H new ATOM 996 N GLN A 70 6.002 -2.094 -10.530 1.00 34.34 N ATOM 997 CA GLN A 70 5.285 -1.246 -11.476 1.00 4.00 C ATOM 998 C GLN A 70 3.967 -0.761 -10.882 1.00 40.44 C ATOM 999 O GLN A 70 2.910 -0.888 -11.501 1.00 22.12 O ATOM 1000 CB GLN A 70 5.023 -2.006 -12.777 1.00 21.33 C ATOM 1001 CG GLN A 70 6.291 -2.428 -13.502 1.00 24.34 C ATOM 1002 CD GLN A 70 6.014 -3.003 -14.877 1.00 51.13 C ATOM 1003 OE1 GLN A 70 4.928 -2.829 -15.427 1.00 13.53 O ATOM 1004 NE2 GLN A 70 7.000 -3.694 -15.439 1.00 75.52 N ATOM 0 H GLN A 70 5.628 -3.039 -10.443 1.00 34.34 H new ATOM 0 HA GLN A 70 5.907 -0.377 -11.690 1.00 4.00 H new ATOM 0 HB2 GLN A 70 4.428 -2.893 -12.557 1.00 21.33 H new ATOM 0 HB3 GLN A 70 4.427 -1.379 -13.440 1.00 21.33 H new ATOM 0 HG2 GLN A 70 6.953 -1.567 -13.599 1.00 24.34 H new ATOM 0 HG3 GLN A 70 6.818 -3.170 -12.902 1.00 24.34 H new ATOM 0 HE21 GLN A 70 7.885 -3.813 -14.946 1.00 75.52 H new ATOM 0 HE22 GLN A 70 6.872 -4.105 -16.364 1.00 75.52 H new ATOM 1011 N LYS A 71 4.036 -0.205 -9.678 1.00 73.44 N ATOM 1012 CA LYS A 71 2.848 0.300 -8.999 1.00 34.00 C ATOM 1013 C LYS A 71 2.478 1.688 -9.511 1.00 31.20 C ATOM 1014 O LYS A 71 1.487 2.276 -9.077 1.00 51.40 O ATOM 1015 CB LYS A 71 3.082 0.349 -7.487 1.00 15.40 C ATOM 1016 CG LYS A 71 3.491 1.720 -6.979 1.00 64.53 C ATOM 1017 CD LYS A 71 3.933 1.667 -5.525 1.00 13.35 C ATOM 1018 CE LYS A 71 3.728 3.004 -4.832 1.00 24.22 C ATOM 1019 NZ LYS A 71 2.315 3.199 -4.404 1.00 1.44 N ATOM 0 H LYS A 71 4.902 -0.092 -9.151 1.00 73.44 H new ATOM 0 HA LYS A 71 2.022 -0.379 -9.211 1.00 34.00 H new ATOM 0 HB2 LYS A 71 2.170 0.039 -6.977 1.00 15.40 H new ATOM 0 HB3 LYS A 71 3.856 -0.372 -7.224 1.00 15.40 H new ATOM 0 HG2 LYS A 71 4.303 2.109 -7.593 1.00 64.53 H new ATOM 0 HG3 LYS A 71 2.655 2.411 -7.081 1.00 64.53 H new ATOM 0 HD2 LYS A 71 3.371 0.894 -5.001 1.00 13.35 H new ATOM 0 HD3 LYS A 71 4.985 1.387 -5.473 1.00 13.35 H new ATOM 0 HE2 LYS A 71 4.382 3.066 -3.962 1.00 24.22 H new ATOM 0 HE3 LYS A 71 4.017 3.810 -5.506 1.00 24.22 H new ATOM 0 HZ1 LYS A 71 2.293 3.740 -3.516 1.00 1.44 H new ATOM 0 HZ2 LYS A 71 1.798 3.721 -5.140 1.00 1.44 H new ATOM 0 HZ3 LYS A 71 1.866 2.273 -4.257 1.00 1.44 H new ATOM 1029 N GLU A 72 3.279 2.206 -10.437 1.00 3.14 N ATOM 1030 CA GLU A 72 3.033 3.525 -11.008 1.00 45.32 C ATOM 1031 C GLU A 72 2.003 3.448 -12.130 1.00 21.14 C ATOM 1032 O GLU A 72 2.248 3.910 -13.246 1.00 75.43 O ATOM 1033 CB GLU A 72 4.337 4.126 -11.538 1.00 71.11 C ATOM 1034 CG GLU A 72 5.000 3.286 -12.616 1.00 2.31 C ATOM 1035 CD GLU A 72 6.512 3.407 -12.603 1.00 63.34 C ATOM 1036 OE1 GLU A 72 7.017 4.483 -12.219 1.00 61.14 O ATOM 1037 OE2 GLU A 72 7.189 2.426 -12.974 1.00 50.42 O ATOM 0 H GLU A 72 4.103 1.733 -10.807 1.00 3.14 H new ATOM 0 HA GLU A 72 2.639 4.167 -10.220 1.00 45.32 H new ATOM 0 HB2 GLU A 72 4.133 5.120 -11.937 1.00 71.11 H new ATOM 0 HB3 GLU A 72 5.033 4.252 -10.708 1.00 71.11 H new ATOM 0 HG2 GLU A 72 4.722 2.241 -12.479 1.00 2.31 H new ATOM 0 HG3 GLU A 72 4.623 3.591 -13.592 1.00 2.31 H new ATOM 1042 N SER A 73 0.849 2.862 -11.827 1.00 20.35 N ATOM 1043 CA SER A 73 -0.218 2.721 -12.811 1.00 31.42 C ATOM 1044 C SER A 73 -1.585 2.730 -12.134 1.00 75.54 C ATOM 1045 O SER A 73 -2.308 3.727 -12.178 1.00 1.01 O ATOM 1046 CB SER A 73 -0.039 1.427 -13.607 1.00 52.14 C ATOM 1047 OG SER A 73 0.781 1.636 -14.742 1.00 0.33 O ATOM 0 H SER A 73 0.629 2.477 -10.908 1.00 20.35 H new ATOM 0 HA SER A 73 -0.164 3.569 -13.494 1.00 31.42 H new ATOM 0 HB2 SER A 73 0.405 0.663 -12.969 1.00 52.14 H new ATOM 0 HB3 SER A 73 -1.013 1.053 -13.922 1.00 52.14 H new ATOM 0 HG SER A 73 1.410 2.365 -14.561 1.00 0.33 H new ATOM 1052 N THR A 74 -1.936 1.611 -11.507 1.00 73.12 N ATOM 1053 CA THR A 74 -3.216 1.489 -10.821 1.00 54.44 C ATOM 1054 C THR A 74 -3.046 0.841 -9.451 1.00 0.35 C ATOM 1055 O THR A 74 -2.763 -0.353 -9.348 1.00 54.23 O ATOM 1056 CB THR A 74 -4.218 0.660 -11.647 1.00 12.43 C ATOM 1057 OG1 THR A 74 -3.701 0.435 -12.963 1.00 1.34 O ATOM 1058 CG2 THR A 74 -5.561 1.369 -11.738 1.00 1.22 C ATOM 0 H THR A 74 -1.351 0.777 -11.460 1.00 73.12 H new ATOM 0 HA THR A 74 -3.606 2.499 -10.696 1.00 54.44 H new ATOM 0 HB THR A 74 -4.364 -0.297 -11.146 1.00 12.43 H new ATOM 0 HG1 THR A 74 -4.343 -0.094 -13.481 1.00 1.34 H new ATOM 0 HG21 THR A 74 -6.252 0.765 -12.326 1.00 1.22 H new ATOM 0 HG22 THR A 74 -5.966 1.512 -10.736 1.00 1.22 H new ATOM 0 HG23 THR A 74 -5.429 2.339 -12.218 1.00 1.22 H new ATOM 1066 N LEU A 75 -3.222 1.635 -8.401 1.00 25.21 N ATOM 1067 CA LEU A 75 -3.088 1.139 -7.036 1.00 12.24 C ATOM 1068 C LEU A 75 -4.291 1.545 -6.189 1.00 1.21 C ATOM 1069 O LEU A 75 -4.613 2.727 -6.075 1.00 25.35 O ATOM 1070 CB LEU A 75 -1.803 1.671 -6.402 1.00 45.12 C ATOM 1071 CG LEU A 75 -0.698 0.641 -6.160 1.00 23.25 C ATOM 1072 CD1 LEU A 75 -1.009 -0.196 -4.930 1.00 52.14 C ATOM 1073 CD2 LEU A 75 -0.521 -0.247 -7.383 1.00 43.15 C ATOM 0 H LEU A 75 -3.458 2.625 -8.469 1.00 25.21 H new ATOM 0 HA LEU A 75 -3.043 0.051 -7.075 1.00 12.24 H new ATOM 0 HB2 LEU A 75 -1.405 2.458 -7.042 1.00 45.12 H new ATOM 0 HB3 LEU A 75 -2.056 2.133 -5.448 1.00 45.12 H new ATOM 0 HG LEU A 75 0.237 1.173 -5.984 1.00 23.25 H new ATOM 0 HD11 LEU A 75 -0.212 -0.923 -4.774 1.00 52.14 H new ATOM 0 HD12 LEU A 75 -1.084 0.453 -4.058 1.00 52.14 H new ATOM 0 HD13 LEU A 75 -1.954 -0.719 -5.075 1.00 52.14 H new ATOM 0 HD21 LEU A 75 0.269 -0.974 -7.194 1.00 43.15 H new ATOM 0 HD22 LEU A 75 -1.454 -0.771 -7.590 1.00 43.15 H new ATOM 0 HD23 LEU A 75 -0.251 0.367 -8.242 1.00 43.15 H new ATOM 1084 N HIS A 76 -4.951 0.555 -5.596 1.00 2.22 N ATOM 1085 CA HIS A 76 -6.117 0.809 -4.757 1.00 3.04 C ATOM 1086 C HIS A 76 -5.841 0.414 -3.310 1.00 73.55 C ATOM 1087 O HIS A 76 -5.782 -0.771 -2.979 1.00 73.40 O ATOM 1088 CB HIS A 76 -7.329 0.040 -5.286 1.00 24.51 C ATOM 1089 CG HIS A 76 -7.487 0.121 -6.773 1.00 21.31 C ATOM 1090 ND1 HIS A 76 -8.229 -0.785 -7.500 1.00 0.42 N ATOM 1091 CD2 HIS A 76 -6.996 1.008 -7.669 1.00 62.22 C ATOM 1092 CE1 HIS A 76 -8.185 -0.460 -8.780 1.00 34.23 C ATOM 1093 NE2 HIS A 76 -7.444 0.625 -8.909 1.00 24.23 N ATOM 0 H HIS A 76 -4.699 -0.430 -5.681 1.00 2.22 H new ATOM 0 HA HIS A 76 -6.332 1.877 -4.789 1.00 3.04 H new ATOM 0 HB2 HIS A 76 -7.240 -1.007 -4.995 1.00 24.51 H new ATOM 0 HB3 HIS A 76 -8.230 0.428 -4.811 1.00 24.51 H new ATOM 0 HD1 HIS A 76 -8.733 -1.582 -7.111 1.00 0.42 H new ATOM 0 HD2 HIS A 76 -6.368 1.859 -7.450 1.00 62.22 H new ATOM 0 HE1 HIS A 76 -8.672 -0.992 -9.584 1.00 34.23 H new ATOM 1100 N LEU A 77 -5.672 1.414 -2.451 1.00 44.23 N ATOM 1101 CA LEU A 77 -5.401 1.171 -1.038 1.00 60.22 C ATOM 1102 C LEU A 77 -6.337 1.991 -0.156 1.00 63.44 C ATOM 1103 O LEU A 77 -6.076 3.161 0.125 1.00 61.23 O ATOM 1104 CB LEU A 77 -3.946 1.511 -0.712 1.00 24.22 C ATOM 1105 CG LEU A 77 -3.377 2.755 -1.396 1.00 33.34 C ATOM 1106 CD1 LEU A 77 -2.338 3.424 -0.509 1.00 33.42 C ATOM 1107 CD2 LEU A 77 -2.776 2.393 -2.745 1.00 12.34 C ATOM 0 H LEU A 77 -5.718 2.400 -2.708 1.00 44.23 H new ATOM 0 HA LEU A 77 -5.574 0.114 -0.836 1.00 60.22 H new ATOM 0 HB2 LEU A 77 -3.857 1.642 0.367 1.00 24.22 H new ATOM 0 HB3 LEU A 77 -3.325 0.657 -0.982 1.00 24.22 H new ATOM 0 HG LEU A 77 -4.191 3.460 -1.561 1.00 33.34 H new ATOM 0 HD11 LEU A 77 -1.944 4.307 -1.012 1.00 33.42 H new ATOM 0 HD12 LEU A 77 -2.800 3.719 0.433 1.00 33.42 H new ATOM 0 HD13 LEU A 77 -1.524 2.726 -0.312 1.00 33.42 H new ATOM 0 HD21 LEU A 77 -2.376 3.290 -3.218 1.00 12.34 H new ATOM 0 HD22 LEU A 77 -1.974 1.669 -2.603 1.00 12.34 H new ATOM 0 HD23 LEU A 77 -3.547 1.960 -3.382 1.00 12.34 H new ATOM 1118 N VAL A 78 -7.427 1.368 0.280 1.00 21.44 N ATOM 1119 CA VAL A 78 -8.400 2.039 1.134 1.00 33.14 C ATOM 1120 C VAL A 78 -9.074 1.052 2.080 1.00 64.43 C ATOM 1121 O VAL A 78 -9.543 -0.006 1.661 1.00 51.45 O ATOM 1122 CB VAL A 78 -9.481 2.752 0.300 1.00 54.21 C ATOM 1123 CG1 VAL A 78 -10.374 3.600 1.194 1.00 64.44 C ATOM 1124 CG2 VAL A 78 -8.841 3.601 -0.787 1.00 12.12 C ATOM 0 H VAL A 78 -7.658 0.400 0.056 1.00 21.44 H new ATOM 0 HA VAL A 78 -7.852 2.780 1.716 1.00 33.14 H new ATOM 0 HB VAL A 78 -10.102 1.996 -0.180 1.00 54.21 H new ATOM 0 HG11 VAL A 78 -11.131 4.096 0.587 1.00 64.44 H new ATOM 0 HG12 VAL A 78 -10.861 2.962 1.932 1.00 64.44 H new ATOM 0 HG13 VAL A 78 -9.770 4.350 1.705 1.00 64.44 H new ATOM 0 HG21 VAL A 78 -9.619 4.097 -1.366 1.00 12.12 H new ATOM 0 HG22 VAL A 78 -8.195 4.351 -0.330 1.00 12.12 H new ATOM 0 HG23 VAL A 78 -8.249 2.964 -1.445 1.00 12.12 H new ATOM 1134 N LEU A 79 -9.118 1.405 3.361 1.00 20.13 N ATOM 1135 CA LEU A 79 -9.736 0.550 4.369 1.00 64.33 C ATOM 1136 C LEU A 79 -10.977 1.212 4.958 1.00 12.42 C ATOM 1137 O LEU A 79 -10.884 2.230 5.642 1.00 75.33 O ATOM 1138 CB LEU A 79 -8.734 0.237 5.482 1.00 54.14 C ATOM 1139 CG LEU A 79 -9.138 -0.871 6.457 1.00 23.35 C ATOM 1140 CD1 LEU A 79 -9.462 -2.152 5.704 1.00 72.12 C ATOM 1141 CD2 LEU A 79 -8.035 -1.112 7.476 1.00 41.35 C ATOM 0 H LEU A 79 -8.733 2.277 3.725 1.00 20.13 H new ATOM 0 HA LEU A 79 -10.038 -0.380 3.887 1.00 64.33 H new ATOM 0 HB2 LEU A 79 -7.785 -0.039 5.022 1.00 54.14 H new ATOM 0 HB3 LEU A 79 -8.558 1.149 6.052 1.00 54.14 H new ATOM 0 HG LEU A 79 -10.033 -0.552 6.990 1.00 23.35 H new ATOM 0 HD11 LEU A 79 -9.747 -2.929 6.413 1.00 72.12 H new ATOM 0 HD12 LEU A 79 -10.286 -1.970 5.014 1.00 72.12 H new ATOM 0 HD13 LEU A 79 -8.585 -2.476 5.144 1.00 72.12 H new ATOM 0 HD21 LEU A 79 -8.339 -1.903 8.161 1.00 41.35 H new ATOM 0 HD22 LEU A 79 -7.122 -1.410 6.960 1.00 41.35 H new ATOM 0 HD23 LEU A 79 -7.852 -0.196 8.038 1.00 41.35 H new ATOM 1152 N ARG A 80 -12.138 0.623 4.688 1.00 22.24 N ATOM 1153 CA ARG A 80 -13.399 1.156 5.193 1.00 42.51 C ATOM 1154 C ARG A 80 -13.474 2.665 4.984 1.00 22.42 C ATOM 1155 O ARG A 80 -13.287 3.443 5.921 1.00 41.14 O ATOM 1156 CB ARG A 80 -13.558 0.827 6.678 1.00 74.02 C ATOM 1157 CG ARG A 80 -14.251 -0.502 6.937 1.00 3.14 C ATOM 1158 CD ARG A 80 -15.270 -0.389 8.060 1.00 12.43 C ATOM 1159 NE ARG A 80 -14.690 0.187 9.269 1.00 21.40 N ATOM 1160 CZ ARG A 80 -15.204 0.020 10.483 1.00 4.22 C ATOM 1161 NH1 ARG A 80 -16.303 -0.703 10.647 1.00 31.01 N ATOM 1162 NH2 ARG A 80 -14.617 0.577 11.535 1.00 33.53 N ATOM 0 H ARG A 80 -12.232 -0.222 4.124 1.00 22.24 H new ATOM 0 HA ARG A 80 -14.211 0.689 4.636 1.00 42.51 H new ATOM 0 HB2 ARG A 80 -12.573 0.811 7.145 1.00 74.02 H new ATOM 0 HB3 ARG A 80 -14.126 1.623 7.159 1.00 74.02 H new ATOM 0 HG2 ARG A 80 -14.747 -0.838 6.027 1.00 3.14 H new ATOM 0 HG3 ARG A 80 -13.508 -1.257 7.193 1.00 3.14 H new ATOM 0 HD2 ARG A 80 -16.106 0.227 7.730 1.00 12.43 H new ATOM 0 HD3 ARG A 80 -15.672 -1.377 8.286 1.00 12.43 H new ATOM 0 HE ARG A 80 -13.844 0.749 9.177 1.00 21.40 H new ATOM 0 HH11 ARG A 80 -16.756 -1.133 9.840 1.00 31.01 H new ATOM 0 HH12 ARG A 80 -16.696 -0.830 11.580 1.00 31.01 H new ATOM 0 HH21 ARG A 80 -13.771 1.133 11.412 1.00 33.53 H new ATOM 0 HH22 ARG A 80 -15.012 0.449 12.467 1.00 33.53 H new ATOM 1173 N LEU A 81 -13.749 3.074 3.750 1.00 20.32 N ATOM 1174 CA LEU A 81 -13.849 4.492 3.418 1.00 53.34 C ATOM 1175 C LEU A 81 -14.847 5.196 4.331 1.00 63.24 C ATOM 1176 O LEU A 81 -15.591 4.550 5.069 1.00 71.30 O ATOM 1177 CB LEU A 81 -14.267 4.664 1.957 1.00 24.11 C ATOM 1178 CG LEU A 81 -15.737 4.384 1.641 1.00 71.04 C ATOM 1179 CD1 LEU A 81 -16.192 3.102 2.320 1.00 73.13 C ATOM 1180 CD2 LEU A 81 -16.607 5.556 2.071 1.00 73.11 C ATOM 0 H LEU A 81 -13.907 2.445 2.963 1.00 20.32 H new ATOM 0 HA LEU A 81 -12.869 4.945 3.565 1.00 53.34 H new ATOM 0 HB2 LEU A 81 -14.039 5.686 1.653 1.00 24.11 H new ATOM 0 HB3 LEU A 81 -13.653 4.004 1.344 1.00 24.11 H new ATOM 0 HG LEU A 81 -15.841 4.257 0.563 1.00 71.04 H new ATOM 0 HD11 LEU A 81 -17.240 2.918 2.085 1.00 73.13 H new ATOM 0 HD12 LEU A 81 -15.588 2.267 1.964 1.00 73.13 H new ATOM 0 HD13 LEU A 81 -16.074 3.200 3.399 1.00 73.13 H new ATOM 0 HD21 LEU A 81 -17.650 5.340 1.839 1.00 73.11 H new ATOM 0 HD22 LEU A 81 -16.500 5.714 3.144 1.00 73.11 H new ATOM 0 HD23 LEU A 81 -16.296 6.455 1.539 1.00 73.11 H new