USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00324) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.671 K(o=-0.67,f=-6.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.591 X(o=-0.59,f=-1) USER MOD Single : A 19 THR OG1 : rot -71:sc= 0.113 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0576 USER MOD Single : A 34 MET CE :methyl -173:sc=-0.00837 (180deg=-0.0421) USER MOD Single : A 35 CYS SG : rot 69:sc= 0.129 USER MOD Single : A 36 SER OG : rot -41:sc= 1.26 USER MOD Single : A 37 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 38 TYR OH : rot 136:sc= 1.28 USER MOD Single : A 40 SER OG : rot 180:sc=-0.00293 USER MOD Single : A 49 TYR OH : rot -42:sc= 1.2 USER MOD Single : A 50 SER OG : rot 126:sc= 0.117 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -1.32 USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0135) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.054) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl 170:sc= -1.03 (180deg=-1.21) USER MOD Single : A 83 HIS : no HD1:sc=-0.00388 X(o=-0.0039,f=-0.11) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0884 USER MOD Single : A 88 ASN : amide:sc=-0.00759 K(o=-0.0076,f=-0.92!) USER MOD Single : A 89 GLN : amide:sc= 1.29 K(o=1.3,f=-6.1!) USER MOD Single : A 91 ASN : amide:sc= -0.0829 K(o=-0.083,f=-2.3) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -7.542 4.814 9.521 1.00 21.43 N ATOM 116 CA ILE A 10 -6.234 4.505 8.961 1.00 71.42 C ATOM 117 C ILE A 10 -5.844 5.550 7.918 1.00 14.12 C ATOM 118 O ILE A 10 -6.643 5.894 7.042 1.00 43.42 O ATOM 119 CB ILE A 10 -6.268 3.071 8.382 1.00 64.35 C ATOM 120 CG1 ILE A 10 -6.355 2.077 9.561 1.00 14.33 C ATOM 121 CG2 ILE A 10 -5.020 2.815 7.521 1.00 11.33 C ATOM 122 CD1 ILE A 10 -6.686 0.638 9.160 1.00 32.54 C ATOM 0 HA ILE A 10 -5.468 4.540 9.736 1.00 71.42 H new ATOM 0 HB ILE A 10 -7.137 2.940 7.736 1.00 64.35 H new ATOM 0 HG12 ILE A 10 -5.404 2.082 10.094 1.00 14.33 H new ATOM 0 HG13 ILE A 10 -7.114 2.429 10.260 1.00 14.33 H new ATOM 0 HG21 ILE A 10 -5.056 1.802 7.120 1.00 11.33 H new ATOM 0 HG22 ILE A 10 -4.992 3.530 6.699 1.00 11.33 H new ATOM 0 HG23 ILE A 10 -4.126 2.931 8.133 1.00 11.33 H new ATOM 0 HD11 ILE A 10 -6.726 0.012 10.051 1.00 32.54 H new ATOM 0 HD12 ILE A 10 -7.652 0.614 8.656 1.00 32.54 H new ATOM 0 HD13 ILE A 10 -5.916 0.262 8.487 1.00 32.54 H new ATOM 134 N LYS A 11 -4.595 6.028 7.993 1.00 72.31 N ATOM 135 CA LYS A 11 -3.940 6.817 6.960 1.00 5.53 C ATOM 136 C LYS A 11 -2.551 6.247 6.613 1.00 34.31 C ATOM 137 O LYS A 11 -1.634 7.009 6.308 1.00 11.12 O ATOM 138 CB LYS A 11 -3.869 8.301 7.363 1.00 33.22 C ATOM 139 CG LYS A 11 -5.127 8.883 8.024 1.00 5.22 C ATOM 140 CD LYS A 11 -4.910 9.142 9.515 1.00 52.01 C ATOM 141 CE LYS A 11 -6.186 9.705 10.143 1.00 24.22 C ATOM 142 NZ LYS A 11 -6.011 9.946 11.588 1.00 74.11 N ATOM 0 H LYS A 11 -3.999 5.867 8.805 1.00 72.31 H new ATOM 0 HA LYS A 11 -4.544 6.754 6.055 1.00 5.53 H new ATOM 0 HB2 LYS A 11 -3.031 8.431 8.047 1.00 33.22 H new ATOM 0 HB3 LYS A 11 -3.647 8.888 6.472 1.00 33.22 H new ATOM 0 HG2 LYS A 11 -5.402 9.814 7.528 1.00 5.22 H new ATOM 0 HG3 LYS A 11 -5.961 8.193 7.891 1.00 5.22 H new ATOM 0 HD2 LYS A 11 -4.627 8.216 10.015 1.00 52.01 H new ATOM 0 HD3 LYS A 11 -4.087 9.843 9.654 1.00 52.01 H new ATOM 0 HE2 LYS A 11 -6.457 10.637 9.647 1.00 24.22 H new ATOM 0 HE3 LYS A 11 -7.009 9.008 9.985 1.00 24.22 H new ATOM 0 HZ1 LYS A 11 -6.893 10.328 11.986 1.00 74.11 H new ATOM 0 HZ2 LYS A 11 -5.776 9.051 12.063 1.00 74.11 H new ATOM 0 HZ3 LYS A 11 -5.241 10.629 11.735 1.00 74.11 H new ATOM 156 N GLU A 12 -2.356 4.929 6.626 1.00 53.51 N ATOM 157 CA GLU A 12 -1.157 4.291 6.079 1.00 31.33 C ATOM 158 C GLU A 12 -1.506 2.833 5.789 1.00 62.33 C ATOM 159 O GLU A 12 -2.012 2.141 6.670 1.00 42.43 O ATOM 160 CB GLU A 12 0.013 4.418 7.075 1.00 42.13 C ATOM 161 CG GLU A 12 1.352 3.887 6.537 1.00 24.21 C ATOM 162 CD GLU A 12 2.556 4.343 7.374 1.00 32.21 C ATOM 163 OE1 GLU A 12 2.420 4.603 8.591 1.00 33.44 O ATOM 164 OE2 GLU A 12 3.690 4.419 6.844 1.00 24.13 O ATOM 0 H GLU A 12 -3.028 4.270 7.018 1.00 53.51 H new ATOM 0 HA GLU A 12 -0.836 4.776 5.157 1.00 31.33 H new ATOM 0 HB2 GLU A 12 0.133 5.467 7.347 1.00 42.13 H new ATOM 0 HB3 GLU A 12 -0.240 3.878 7.988 1.00 42.13 H new ATOM 0 HG2 GLU A 12 1.323 2.798 6.516 1.00 24.21 H new ATOM 0 HG3 GLU A 12 1.483 4.223 5.508 1.00 24.21 H new ATOM 171 N ILE A 13 -1.272 2.388 4.557 1.00 23.22 N ATOM 172 CA ILE A 13 -1.620 1.059 4.046 1.00 23.25 C ATOM 173 C ILE A 13 -0.332 0.298 3.732 1.00 24.42 C ATOM 174 O ILE A 13 0.755 0.900 3.724 1.00 72.11 O ATOM 175 CB ILE A 13 -2.535 1.201 2.810 1.00 70.41 C ATOM 176 CG1 ILE A 13 -1.903 2.146 1.761 1.00 11.10 C ATOM 177 CG2 ILE A 13 -3.925 1.699 3.239 1.00 44.21 C ATOM 178 CD1 ILE A 13 -2.115 1.627 0.346 1.00 35.14 C ATOM 0 H ILE A 13 -0.814 2.968 3.854 1.00 23.22 H new ATOM 0 HA ILE A 13 -2.174 0.490 4.793 1.00 23.25 H new ATOM 0 HB ILE A 13 -2.648 0.222 2.344 1.00 70.41 H new ATOM 0 HG12 ILE A 13 -2.340 3.140 1.855 1.00 11.10 H new ATOM 0 HG13 ILE A 13 -0.836 2.247 1.957 1.00 11.10 H new ATOM 0 HG21 ILE A 13 -4.564 1.796 2.361 1.00 44.21 H new ATOM 0 HG22 ILE A 13 -4.369 0.986 3.933 1.00 44.21 H new ATOM 0 HG23 ILE A 13 -3.829 2.669 3.727 1.00 44.21 H new ATOM 0 HD11 ILE A 13 -1.659 2.315 -0.366 1.00 35.14 H new ATOM 0 HD12 ILE A 13 -1.655 0.644 0.246 1.00 35.14 H new ATOM 0 HD13 ILE A 13 -3.183 1.550 0.143 1.00 35.14 H new ATOM 190 N ILE A 14 -0.409 -1.009 3.449 1.00 53.33 N ATOM 191 CA ILE A 14 0.788 -1.838 3.292 1.00 31.41 C ATOM 192 C ILE A 14 0.583 -2.766 2.098 1.00 35.31 C ATOM 193 O ILE A 14 -0.237 -3.683 2.149 1.00 51.51 O ATOM 194 CB ILE A 14 1.134 -2.577 4.611 1.00 25.32 C ATOM 195 CG1 ILE A 14 1.336 -1.563 5.767 1.00 33.44 C ATOM 196 CG2 ILE A 14 2.402 -3.434 4.409 1.00 44.44 C ATOM 197 CD1 ILE A 14 1.781 -2.179 7.093 1.00 20.11 C ATOM 0 H ILE A 14 -1.287 -1.512 3.325 1.00 53.33 H new ATOM 0 HA ILE A 14 1.660 -1.218 3.082 1.00 31.41 H new ATOM 0 HB ILE A 14 0.305 -3.232 4.879 1.00 25.32 H new ATOM 0 HG12 ILE A 14 2.077 -0.826 5.459 1.00 33.44 H new ATOM 0 HG13 ILE A 14 0.401 -1.027 5.928 1.00 33.44 H new ATOM 0 HG21 ILE A 14 2.643 -3.952 5.337 1.00 44.44 H new ATOM 0 HG22 ILE A 14 2.225 -4.166 3.621 1.00 44.44 H new ATOM 0 HG23 ILE A 14 3.235 -2.790 4.126 1.00 44.44 H new ATOM 0 HD11 ILE A 14 1.896 -1.393 7.839 1.00 20.11 H new ATOM 0 HD12 ILE A 14 1.031 -2.894 7.432 1.00 20.11 H new ATOM 0 HD13 ILE A 14 2.734 -2.690 6.955 1.00 20.11 H new ATOM 209 N ILE A 15 1.284 -2.526 0.991 1.00 24.35 N ATOM 210 CA ILE A 15 1.341 -3.453 -0.126 1.00 74.41 C ATOM 211 C ILE A 15 2.110 -4.658 0.411 1.00 34.24 C ATOM 212 O ILE A 15 3.306 -4.532 0.712 1.00 72.13 O ATOM 213 CB ILE A 15 2.051 -2.868 -1.365 1.00 21.41 C ATOM 214 CG1 ILE A 15 1.820 -1.383 -1.677 1.00 42.45 C ATOM 215 CG2 ILE A 15 1.730 -3.748 -2.587 1.00 1.10 C ATOM 216 CD1 ILE A 15 0.382 -0.980 -1.978 1.00 75.54 C ATOM 0 H ILE A 15 1.830 -1.676 0.848 1.00 24.35 H new ATOM 0 HA ILE A 15 0.337 -3.701 -0.471 1.00 74.41 H new ATOM 0 HB ILE A 15 3.111 -2.890 -1.114 1.00 21.41 H new ATOM 0 HG12 ILE A 15 2.171 -0.795 -0.829 1.00 42.45 H new ATOM 0 HG13 ILE A 15 2.439 -1.111 -2.532 1.00 42.45 H new ATOM 0 HG21 ILE A 15 2.227 -3.343 -3.468 1.00 1.10 H new ATOM 0 HG22 ILE A 15 2.082 -4.764 -2.407 1.00 1.10 H new ATOM 0 HG23 ILE A 15 0.653 -3.762 -2.753 1.00 1.10 H new ATOM 0 HD11 ILE A 15 0.339 0.090 -2.183 1.00 75.54 H new ATOM 0 HD12 ILE A 15 0.024 -1.531 -2.848 1.00 75.54 H new ATOM 0 HD13 ILE A 15 -0.248 -1.210 -1.119 1.00 75.54 H new ATOM 228 N GLN A 16 1.464 -5.809 0.599 1.00 5.45 N ATOM 229 CA GLN A 16 2.207 -6.999 0.969 1.00 13.41 C ATOM 230 C GLN A 16 2.985 -7.501 -0.252 1.00 71.45 C ATOM 231 O GLN A 16 2.684 -7.155 -1.389 1.00 51.52 O ATOM 232 CB GLN A 16 1.293 -8.070 1.598 1.00 41.03 C ATOM 233 CG GLN A 16 2.095 -8.725 2.738 1.00 15.45 C ATOM 234 CD GLN A 16 1.427 -9.850 3.514 1.00 1.11 C ATOM 235 OE1 GLN A 16 0.666 -10.639 2.969 1.00 3.22 O ATOM 236 NE2 GLN A 16 1.776 -9.956 4.787 1.00 54.42 N ATOM 0 H GLN A 16 0.456 -5.936 0.503 1.00 5.45 H new ATOM 0 HA GLN A 16 2.929 -6.755 1.748 1.00 13.41 H new ATOM 0 HB2 GLN A 16 0.376 -7.620 1.979 1.00 41.03 H new ATOM 0 HB3 GLN A 16 0.999 -8.812 0.856 1.00 41.03 H new ATOM 0 HG2 GLN A 16 3.023 -9.112 2.316 1.00 15.45 H new ATOM 0 HG3 GLN A 16 2.369 -7.944 3.448 1.00 15.45 H new ATOM 0 HE21 GLN A 16 2.414 -9.275 5.199 1.00 54.42 H new ATOM 0 HE22 GLN A 16 1.407 -10.719 5.355 1.00 54.42 H new ATOM 245 N GLY A 17 3.999 -8.343 -0.041 1.00 35.24 N ATOM 246 CA GLY A 17 4.726 -9.019 -1.118 1.00 2.31 C ATOM 247 C GLY A 17 4.440 -10.512 -1.118 1.00 63.31 C ATOM 248 O GLY A 17 5.304 -11.316 -1.481 1.00 41.51 O ATOM 0 H GLY A 17 4.342 -8.577 0.891 1.00 35.24 H new ATOM 0 HA2 GLY A 17 4.440 -8.591 -2.079 1.00 2.31 H new ATOM 0 HA3 GLY A 17 5.796 -8.851 -1.000 1.00 2.31 H new ATOM 252 N LEU A 18 3.252 -10.887 -0.655 1.00 31.30 N ATOM 253 CA LEU A 18 2.666 -12.200 -0.814 1.00 12.33 C ATOM 254 C LEU A 18 1.532 -12.026 -1.803 1.00 61.43 C ATOM 255 O LEU A 18 0.868 -10.988 -1.813 1.00 4.10 O ATOM 256 CB LEU A 18 2.102 -12.689 0.522 1.00 42.24 C ATOM 257 CG LEU A 18 2.999 -13.681 1.269 1.00 72.50 C ATOM 258 CD1 LEU A 18 4.396 -13.141 1.585 1.00 72.40 C ATOM 259 CD2 LEU A 18 2.290 -13.983 2.579 1.00 2.23 C ATOM 0 H LEU A 18 2.649 -10.249 -0.136 1.00 31.30 H new ATOM 0 HA LEU A 18 3.403 -12.927 -1.155 1.00 12.33 H new ATOM 0 HB2 LEU A 18 1.924 -11.826 1.164 1.00 42.24 H new ATOM 0 HB3 LEU A 18 1.135 -13.158 0.343 1.00 42.24 H new ATOM 0 HG LEU A 18 3.151 -14.555 0.636 1.00 72.50 H new ATOM 0 HD11 LEU A 18 4.969 -13.902 2.114 1.00 72.40 H new ATOM 0 HD12 LEU A 18 4.905 -12.884 0.656 1.00 72.40 H new ATOM 0 HD13 LEU A 18 4.310 -12.252 2.210 1.00 72.40 H new ATOM 0 HD21 LEU A 18 2.884 -14.689 3.160 1.00 2.23 H new ATOM 0 HD22 LEU A 18 2.166 -13.061 3.146 1.00 2.23 H new ATOM 0 HD23 LEU A 18 1.312 -14.416 2.372 1.00 2.23 H new ATOM 271 N THR A 19 1.331 -13.036 -2.631 1.00 11.11 N ATOM 272 CA THR A 19 0.270 -13.082 -3.610 1.00 34.54 C ATOM 273 C THR A 19 -1.051 -13.410 -2.907 1.00 62.42 C ATOM 274 O THR A 19 -1.064 -13.940 -1.792 1.00 62.13 O ATOM 275 CB THR A 19 0.647 -14.102 -4.694 1.00 24.53 C ATOM 276 OG1 THR A 19 0.694 -15.411 -4.154 1.00 14.33 O ATOM 277 CG2 THR A 19 2.013 -13.770 -5.314 1.00 22.11 C ATOM 0 H THR A 19 1.921 -13.868 -2.637 1.00 11.11 H new ATOM 0 HA THR A 19 0.136 -12.118 -4.101 1.00 34.54 H new ATOM 0 HB THR A 19 -0.119 -14.053 -5.468 1.00 24.53 H new ATOM 0 HG1 THR A 19 1.478 -15.497 -3.572 1.00 14.33 H new ATOM 0 HG21 THR A 19 2.255 -14.508 -6.078 1.00 22.11 H new ATOM 0 HG22 THR A 19 1.976 -12.779 -5.766 1.00 22.11 H new ATOM 0 HG23 THR A 19 2.778 -13.787 -4.538 1.00 22.11 H new ATOM 285 N ARG A 20 -2.177 -13.191 -3.584 1.00 13.25 N ATOM 286 CA ARG A 20 -3.510 -13.617 -3.156 1.00 13.24 C ATOM 287 C ARG A 20 -3.607 -15.124 -2.904 1.00 5.32 C ATOM 288 O ARG A 20 -4.461 -15.587 -2.150 1.00 22.05 O ATOM 289 CB ARG A 20 -4.558 -13.151 -4.175 1.00 34.13 C ATOM 290 CG ARG A 20 -4.368 -13.664 -5.614 1.00 41.43 C ATOM 291 CD ARG A 20 -5.084 -12.747 -6.610 1.00 12.33 C ATOM 292 NE ARG A 20 -6.547 -12.798 -6.487 1.00 61.11 N ATOM 293 CZ ARG A 20 -7.426 -12.470 -7.441 1.00 43.45 C ATOM 294 NH1 ARG A 20 -7.054 -12.015 -8.633 1.00 13.20 N ATOM 295 NH2 ARG A 20 -8.716 -12.612 -7.189 1.00 3.45 N ATOM 0 H ARG A 20 -2.188 -12.696 -4.476 1.00 13.25 H new ATOM 0 HA ARG A 20 -3.710 -13.144 -2.194 1.00 13.24 H new ATOM 0 HB2 ARG A 20 -5.542 -13.464 -3.825 1.00 34.13 H new ATOM 0 HB3 ARG A 20 -4.558 -12.061 -4.195 1.00 34.13 H new ATOM 0 HG2 ARG A 20 -3.305 -13.710 -5.852 1.00 41.43 H new ATOM 0 HG3 ARG A 20 -4.758 -14.678 -5.699 1.00 41.43 H new ATOM 0 HD2 ARG A 20 -4.748 -11.721 -6.458 1.00 12.33 H new ATOM 0 HD3 ARG A 20 -4.800 -13.029 -7.624 1.00 12.33 H new ATOM 0 HE ARG A 20 -6.927 -13.112 -5.594 1.00 61.11 H new ATOM 0 HH11 ARG A 20 -6.064 -11.904 -8.850 1.00 13.20 H new ATOM 0 HH12 ARG A 20 -7.759 -11.777 -9.331 1.00 13.20 H new ATOM 0 HH21 ARG A 20 -9.023 -12.965 -6.283 1.00 3.45 H new ATOM 0 HH22 ARG A 20 -9.405 -12.368 -7.901 1.00 3.45 H new ATOM 309 N ALA A 21 -2.723 -15.909 -3.520 1.00 11.53 N ATOM 310 CA ALA A 21 -2.618 -17.344 -3.302 1.00 21.02 C ATOM 311 C ALA A 21 -1.954 -17.693 -1.962 1.00 2.31 C ATOM 312 O ALA A 21 -1.893 -18.872 -1.618 1.00 0.45 O ATOM 313 CB ALA A 21 -1.826 -17.960 -4.455 1.00 14.23 C ATOM 0 H ALA A 21 -2.048 -15.554 -4.197 1.00 11.53 H new ATOM 0 HA ALA A 21 -3.628 -17.753 -3.266 1.00 21.02 H new ATOM 0 HB1 ALA A 21 -1.740 -19.036 -4.303 1.00 14.23 H new ATOM 0 HB2 ALA A 21 -2.342 -17.766 -5.395 1.00 14.23 H new ATOM 0 HB3 ALA A 21 -0.830 -17.518 -4.490 1.00 14.23 H new ATOM 319 N GLY A 22 -1.425 -16.715 -1.224 1.00 74.21 N ATOM 320 CA GLY A 22 -0.750 -16.941 0.043 1.00 62.14 C ATOM 321 C GLY A 22 0.646 -17.536 -0.144 1.00 60.43 C ATOM 322 O GLY A 22 1.074 -18.367 0.657 1.00 45.31 O ATOM 0 H GLY A 22 -1.457 -15.733 -1.498 1.00 74.21 H new ATOM 0 HA2 GLY A 22 -0.672 -15.998 0.584 1.00 62.14 H new ATOM 0 HA3 GLY A 22 -1.350 -17.612 0.658 1.00 62.14 H new ATOM 326 N LYS A 23 1.353 -17.164 -1.216 1.00 71.42 N ATOM 327 CA LYS A 23 2.746 -17.520 -1.463 1.00 5.21 C ATOM 328 C LYS A 23 3.552 -16.228 -1.617 1.00 21.30 C ATOM 329 O LYS A 23 2.981 -15.213 -2.013 1.00 2.43 O ATOM 330 CB LYS A 23 2.841 -18.382 -2.734 1.00 34.14 C ATOM 331 CG LYS A 23 2.510 -19.866 -2.475 1.00 41.25 C ATOM 332 CD LYS A 23 1.011 -20.209 -2.531 1.00 34.41 C ATOM 333 CE LYS A 23 0.737 -21.721 -2.589 1.00 5.02 C ATOM 334 NZ LYS A 23 1.062 -22.419 -1.330 1.00 21.02 N ATOM 0 H LYS A 23 0.954 -16.588 -1.957 1.00 71.42 H new ATOM 0 HA LYS A 23 3.148 -18.099 -0.632 1.00 5.21 H new ATOM 0 HB2 LYS A 23 2.158 -17.988 -3.487 1.00 34.14 H new ATOM 0 HB3 LYS A 23 3.847 -18.305 -3.145 1.00 34.14 H new ATOM 0 HG2 LYS A 23 3.036 -20.475 -3.210 1.00 41.25 H new ATOM 0 HG3 LYS A 23 2.896 -20.145 -1.495 1.00 41.25 H new ATOM 0 HD2 LYS A 23 0.516 -19.790 -1.655 1.00 34.41 H new ATOM 0 HD3 LYS A 23 0.568 -19.732 -3.406 1.00 34.41 H new ATOM 0 HE2 LYS A 23 -0.314 -21.884 -2.827 1.00 5.02 H new ATOM 0 HE3 LYS A 23 1.319 -22.158 -3.400 1.00 5.02 H new ATOM 0 HZ1 LYS A 23 0.856 -23.433 -1.432 1.00 21.02 H new ATOM 0 HZ2 LYS A 23 2.071 -22.291 -1.112 1.00 21.02 H new ATOM 0 HZ3 LYS A 23 0.488 -22.025 -0.557 1.00 21.02 H new ATOM 348 N PRO A 24 4.861 -16.217 -1.323 1.00 41.31 N ATOM 349 CA PRO A 24 5.687 -15.032 -1.518 1.00 13.54 C ATOM 350 C PRO A 24 5.875 -14.746 -3.008 1.00 63.14 C ATOM 351 O PRO A 24 5.699 -15.630 -3.850 1.00 70.42 O ATOM 352 CB PRO A 24 7.007 -15.331 -0.806 1.00 2.11 C ATOM 353 CG PRO A 24 7.104 -16.854 -0.863 1.00 30.31 C ATOM 354 CD PRO A 24 5.649 -17.316 -0.794 1.00 33.13 C ATOM 0 HA PRO A 24 5.228 -14.133 -1.107 1.00 13.54 H new ATOM 0 HB2 PRO A 24 7.850 -14.856 -1.307 1.00 2.11 H new ATOM 0 HB3 PRO A 24 7.001 -14.967 0.221 1.00 2.11 H new ATOM 0 HG2 PRO A 24 7.587 -17.190 -1.781 1.00 30.31 H new ATOM 0 HG3 PRO A 24 7.689 -17.249 -0.032 1.00 30.31 H new ATOM 0 HD2 PRO A 24 5.498 -18.223 -1.380 1.00 33.13 H new ATOM 0 HD3 PRO A 24 5.360 -17.547 0.231 1.00 33.13 H new ATOM 362 N PHE A 25 6.266 -13.516 -3.341 1.00 5.12 N ATOM 363 CA PHE A 25 6.462 -13.049 -4.705 1.00 61.05 C ATOM 364 C PHE A 25 7.939 -12.713 -4.924 1.00 11.10 C ATOM 365 O PHE A 25 8.583 -12.162 -4.022 1.00 64.22 O ATOM 366 CB PHE A 25 5.562 -11.825 -4.905 1.00 33.15 C ATOM 367 CG PHE A 25 5.528 -11.291 -6.318 1.00 53.15 C ATOM 368 CD1 PHE A 25 4.909 -12.043 -7.336 1.00 23.41 C ATOM 369 CD2 PHE A 25 6.061 -10.019 -6.606 1.00 73.23 C ATOM 370 CE1 PHE A 25 4.827 -11.526 -8.638 1.00 60.24 C ATOM 371 CE2 PHE A 25 5.976 -9.500 -7.908 1.00 11.45 C ATOM 372 CZ PHE A 25 5.362 -10.258 -8.918 1.00 20.22 C ATOM 0 H PHE A 25 6.460 -12.798 -2.643 1.00 5.12 H new ATOM 0 HA PHE A 25 6.195 -13.814 -5.434 1.00 61.05 H new ATOM 0 HB2 PHE A 25 4.547 -12.084 -4.604 1.00 33.15 H new ATOM 0 HB3 PHE A 25 5.899 -11.031 -4.239 1.00 33.15 H new ATOM 0 HD1 PHE A 25 4.498 -13.017 -7.114 1.00 23.41 H new ATOM 0 HD2 PHE A 25 6.535 -9.443 -5.825 1.00 73.23 H new ATOM 0 HE1 PHE A 25 4.355 -12.101 -9.421 1.00 60.24 H new ATOM 0 HE2 PHE A 25 6.380 -8.524 -8.131 1.00 11.45 H new ATOM 0 HZ PHE A 25 5.301 -9.862 -9.921 1.00 20.22 H new ATOM 382 N ARG A 26 8.474 -13.014 -6.111 1.00 42.14 N ATOM 383 CA ARG A 26 9.788 -12.556 -6.564 1.00 41.20 C ATOM 384 C ARG A 26 9.584 -11.684 -7.817 1.00 75.40 C ATOM 385 O ARG A 26 8.529 -11.788 -8.447 1.00 65.21 O ATOM 386 CB ARG A 26 10.741 -13.734 -6.863 1.00 22.50 C ATOM 387 CG ARG A 26 11.758 -14.084 -5.763 1.00 35.24 C ATOM 388 CD ARG A 26 11.117 -14.718 -4.519 1.00 23.24 C ATOM 389 NE ARG A 26 11.778 -15.974 -4.117 1.00 30.04 N ATOM 390 CZ ARG A 26 12.901 -16.107 -3.395 1.00 23.21 C ATOM 391 NH1 ARG A 26 13.673 -15.056 -3.113 1.00 13.45 N ATOM 392 NH2 ARG A 26 13.249 -17.310 -2.951 1.00 4.42 N ATOM 0 H ARG A 26 7.994 -13.596 -6.798 1.00 42.14 H new ATOM 0 HA ARG A 26 10.258 -11.976 -5.770 1.00 41.20 H new ATOM 0 HB2 ARG A 26 10.138 -14.619 -7.065 1.00 22.50 H new ATOM 0 HB3 ARG A 26 11.290 -13.506 -7.777 1.00 22.50 H new ATOM 0 HG2 ARG A 26 12.500 -14.771 -6.170 1.00 35.24 H new ATOM 0 HG3 ARG A 26 12.289 -13.179 -5.468 1.00 35.24 H new ATOM 0 HD2 ARG A 26 11.159 -14.009 -3.692 1.00 23.24 H new ATOM 0 HD3 ARG A 26 10.063 -14.914 -4.718 1.00 23.24 H new ATOM 0 HE ARG A 26 11.331 -16.839 -4.422 1.00 30.04 H new ATOM 0 HH11 ARG A 26 13.414 -14.128 -3.448 1.00 13.45 H new ATOM 0 HH12 ARG A 26 14.523 -15.180 -2.562 1.00 13.45 H new ATOM 0 HH21 ARG A 26 12.665 -18.119 -3.160 1.00 4.42 H new ATOM 0 HH22 ARG A 26 14.100 -17.424 -2.401 1.00 4.42 H new ATOM 406 N PRO A 27 10.575 -10.875 -8.224 1.00 42.50 N ATOM 407 CA PRO A 27 11.832 -10.664 -7.518 1.00 13.21 C ATOM 408 C PRO A 27 11.559 -9.996 -6.169 1.00 55.03 C ATOM 409 O PRO A 27 10.571 -9.277 -6.019 1.00 63.15 O ATOM 410 CB PRO A 27 12.669 -9.774 -8.437 1.00 60.32 C ATOM 411 CG PRO A 27 11.626 -9.006 -9.249 1.00 11.34 C ATOM 412 CD PRO A 27 10.482 -10.007 -9.385 1.00 3.21 C ATOM 0 HA PRO A 27 12.357 -11.594 -7.301 1.00 13.21 H new ATOM 0 HB2 PRO A 27 13.308 -9.100 -7.867 1.00 60.32 H new ATOM 0 HB3 PRO A 27 13.321 -10.364 -9.080 1.00 60.32 H new ATOM 0 HG2 PRO A 27 11.307 -8.098 -8.738 1.00 11.34 H new ATOM 0 HG3 PRO A 27 12.015 -8.705 -10.222 1.00 11.34 H new ATOM 0 HD2 PRO A 27 9.519 -9.498 -9.416 1.00 3.21 H new ATOM 0 HD3 PRO A 27 10.571 -10.579 -10.309 1.00 3.21 H new ATOM 420 N SER A 28 12.353 -10.301 -5.144 1.00 74.22 N ATOM 421 CA SER A 28 12.033 -9.864 -3.787 1.00 61.44 C ATOM 422 C SER A 28 12.123 -8.344 -3.654 1.00 52.41 C ATOM 423 O SER A 28 11.314 -7.750 -2.940 1.00 71.04 O ATOM 424 CB SER A 28 12.912 -10.594 -2.771 1.00 32.53 C ATOM 425 OG SER A 28 14.174 -10.932 -3.295 1.00 54.35 O ATOM 0 H SER A 28 13.213 -10.843 -5.225 1.00 74.22 H new ATOM 0 HA SER A 28 10.998 -10.129 -3.572 1.00 61.44 H new ATOM 0 HB2 SER A 28 13.044 -9.964 -1.891 1.00 32.53 H new ATOM 0 HB3 SER A 28 12.404 -11.500 -2.441 1.00 32.53 H new ATOM 0 HG SER A 28 14.700 -11.395 -2.609 1.00 54.35 H new ATOM 431 N ASP A 29 13.052 -7.747 -4.401 1.00 52.40 N ATOM 432 CA ASP A 29 13.397 -6.327 -4.461 1.00 64.02 C ATOM 433 C ASP A 29 12.320 -5.472 -5.133 1.00 31.40 C ATOM 434 O ASP A 29 12.545 -4.281 -5.337 1.00 62.20 O ATOM 435 CB ASP A 29 14.756 -6.162 -5.179 1.00 24.40 C ATOM 436 CG ASP A 29 15.903 -6.456 -4.221 1.00 54.25 C ATOM 437 OD1 ASP A 29 16.003 -7.616 -3.770 1.00 43.11 O ATOM 438 OD2 ASP A 29 16.604 -5.519 -3.785 1.00 51.43 O ATOM 0 H ASP A 29 13.634 -8.294 -5.036 1.00 52.40 H new ATOM 0 HA ASP A 29 13.469 -5.964 -3.436 1.00 64.02 H new ATOM 0 HB2 ASP A 29 14.807 -6.836 -6.034 1.00 24.40 H new ATOM 0 HB3 ASP A 29 14.849 -5.147 -5.567 1.00 24.40 H new ATOM 443 N TRP A 30 11.158 -6.035 -5.489 1.00 53.44 N ATOM 444 CA TRP A 30 10.070 -5.289 -6.126 1.00 32.30 C ATOM 445 C TRP A 30 9.684 -4.048 -5.306 1.00 53.22 C ATOM 446 O TRP A 30 9.279 -3.032 -5.864 1.00 20.34 O ATOM 447 CB TRP A 30 8.856 -6.210 -6.339 1.00 62.51 C ATOM 448 CG TRP A 30 8.086 -6.571 -5.099 1.00 53.43 C ATOM 449 CD1 TRP A 30 8.175 -7.727 -4.404 1.00 44.44 C ATOM 450 CD2 TRP A 30 7.100 -5.759 -4.391 1.00 24.32 C ATOM 451 NE1 TRP A 30 7.371 -7.664 -3.286 1.00 54.24 N ATOM 452 CE2 TRP A 30 6.670 -6.478 -3.237 1.00 50.13 C ATOM 453 CE3 TRP A 30 6.538 -4.481 -4.601 1.00 34.20 C ATOM 454 CZ2 TRP A 30 5.731 -5.950 -2.343 1.00 13.35 C ATOM 455 CZ3 TRP A 30 5.563 -3.961 -3.733 1.00 64.23 C ATOM 456 CH2 TRP A 30 5.158 -4.704 -2.616 1.00 24.02 C ATOM 0 H TRP A 30 10.948 -7.022 -5.342 1.00 53.44 H new ATOM 0 HA TRP A 30 10.418 -4.938 -7.097 1.00 32.30 H new ATOM 0 HB2 TRP A 30 8.175 -5.727 -7.040 1.00 62.51 H new ATOM 0 HB3 TRP A 30 9.200 -7.130 -6.812 1.00 62.51 H new ATOM 0 HD1 TRP A 30 8.785 -8.574 -4.683 1.00 44.44 H new ATOM 0 HE1 TRP A 30 7.303 -8.401 -2.584 1.00 54.24 H new ATOM 0 HE3 TRP A 30 6.864 -3.892 -5.445 1.00 34.20 H new ATOM 0 HZ2 TRP A 30 5.453 -6.498 -1.455 1.00 13.35 H new ATOM 0 HZ3 TRP A 30 5.127 -2.992 -3.926 1.00 64.23 H new ATOM 0 HH2 TRP A 30 4.396 -4.310 -1.960 1.00 24.02 H new ATOM 467 N VAL A 31 9.833 -4.123 -3.981 1.00 44.11 N ATOM 468 CA VAL A 31 9.587 -3.037 -3.043 1.00 73.54 C ATOM 469 C VAL A 31 10.427 -1.816 -3.429 1.00 24.45 C ATOM 470 O VAL A 31 9.902 -0.707 -3.522 1.00 12.44 O ATOM 471 CB VAL A 31 9.890 -3.558 -1.621 1.00 12.12 C ATOM 472 CG1 VAL A 31 9.840 -2.483 -0.531 1.00 64.10 C ATOM 473 CG2 VAL A 31 8.905 -4.677 -1.240 1.00 43.11 C ATOM 0 H VAL A 31 10.141 -4.979 -3.519 1.00 44.11 H new ATOM 0 HA VAL A 31 8.547 -2.712 -3.071 1.00 73.54 H new ATOM 0 HB VAL A 31 10.915 -3.926 -1.666 1.00 12.12 H new ATOM 0 HG11 VAL A 31 10.064 -2.934 0.436 1.00 64.10 H new ATOM 0 HG12 VAL A 31 10.575 -1.709 -0.750 1.00 64.10 H new ATOM 0 HG13 VAL A 31 8.844 -2.040 -0.502 1.00 64.10 H new ATOM 0 HG21 VAL A 31 9.131 -5.034 -0.235 1.00 43.11 H new ATOM 0 HG22 VAL A 31 7.886 -4.290 -1.267 1.00 43.11 H new ATOM 0 HG23 VAL A 31 8.999 -5.501 -1.948 1.00 43.11 H new ATOM 483 N ASP A 32 11.726 -2.016 -3.664 1.00 23.14 N ATOM 484 CA ASP A 32 12.657 -0.912 -3.845 1.00 41.52 C ATOM 485 C ASP A 32 12.494 -0.262 -5.213 1.00 1.14 C ATOM 486 O ASP A 32 12.751 0.931 -5.343 1.00 44.42 O ATOM 487 CB ASP A 32 14.099 -1.372 -3.656 1.00 33.03 C ATOM 488 CG ASP A 32 14.973 -0.195 -3.224 1.00 31.15 C ATOM 489 OD1 ASP A 32 15.530 0.537 -4.073 1.00 64.53 O ATOM 490 OD2 ASP A 32 15.121 -0.030 -1.993 1.00 72.30 O ATOM 0 H ASP A 32 12.154 -2.939 -3.733 1.00 23.14 H new ATOM 0 HA ASP A 32 12.424 -0.169 -3.083 1.00 41.52 H new ATOM 0 HB2 ASP A 32 14.142 -2.161 -2.906 1.00 33.03 H new ATOM 0 HB3 ASP A 32 14.479 -1.795 -4.586 1.00 33.03 H new ATOM 495 N ARG A 33 11.988 -0.997 -6.215 1.00 35.43 N ATOM 496 CA ARG A 33 11.571 -0.395 -7.481 1.00 14.52 C ATOM 497 C ARG A 33 10.616 0.749 -7.187 1.00 74.22 C ATOM 498 O ARG A 33 10.854 1.872 -7.636 1.00 5.14 O ATOM 499 CB ARG A 33 10.888 -1.407 -8.419 1.00 12.21 C ATOM 500 CG ARG A 33 11.843 -2.103 -9.398 1.00 23.15 C ATOM 501 CD ARG A 33 11.263 -2.037 -10.823 1.00 73.32 C ATOM 502 NE ARG A 33 12.253 -2.325 -11.871 1.00 31.44 N ATOM 503 CZ ARG A 33 13.249 -1.521 -12.266 1.00 61.30 C ATOM 504 NH1 ARG A 33 13.479 -0.351 -11.686 1.00 33.21 N ATOM 505 NH2 ARG A 33 14.028 -1.897 -13.265 1.00 11.22 N ATOM 0 H ARG A 33 11.860 -2.008 -6.169 1.00 35.43 H new ATOM 0 HA ARG A 33 12.465 -0.037 -7.992 1.00 14.52 H new ATOM 0 HB2 ARG A 33 10.389 -2.165 -7.815 1.00 12.21 H new ATOM 0 HB3 ARG A 33 10.114 -0.892 -8.988 1.00 12.21 H new ATOM 0 HG2 ARG A 33 12.821 -1.623 -9.370 1.00 23.15 H new ATOM 0 HG3 ARG A 33 11.989 -3.142 -9.102 1.00 23.15 H new ATOM 0 HD2 ARG A 33 10.441 -2.747 -10.906 1.00 73.32 H new ATOM 0 HD3 ARG A 33 10.845 -1.045 -10.991 1.00 73.32 H new ATOM 0 HE ARG A 33 12.174 -3.225 -12.344 1.00 31.44 H new ATOM 0 HH11 ARG A 33 12.889 -0.039 -10.915 1.00 33.21 H new ATOM 0 HH12 ARG A 33 14.246 0.237 -12.011 1.00 33.21 H new ATOM 0 HH21 ARG A 33 13.868 -2.792 -13.728 1.00 11.22 H new ATOM 0 HH22 ARG A 33 14.789 -1.292 -13.574 1.00 11.22 H new ATOM 519 N MET A 34 9.553 0.471 -6.432 1.00 55.45 N ATOM 520 CA MET A 34 8.532 1.455 -6.117 1.00 0.42 C ATOM 521 C MET A 34 9.168 2.635 -5.387 1.00 34.44 C ATOM 522 O MET A 34 8.915 3.775 -5.762 1.00 15.11 O ATOM 523 CB MET A 34 7.388 0.833 -5.303 1.00 62.12 C ATOM 524 CG MET A 34 6.858 -0.486 -5.887 1.00 23.03 C ATOM 525 SD MET A 34 6.441 -0.464 -7.652 1.00 31.15 S ATOM 526 CE MET A 34 4.805 0.306 -7.562 1.00 61.22 C ATOM 0 H MET A 34 9.381 -0.447 -6.023 1.00 55.45 H new ATOM 0 HA MET A 34 8.092 1.818 -7.046 1.00 0.42 H new ATOM 0 HB2 MET A 34 7.734 0.656 -4.285 1.00 62.12 H new ATOM 0 HB3 MET A 34 6.568 1.548 -5.241 1.00 62.12 H new ATOM 0 HG2 MET A 34 7.607 -1.261 -5.721 1.00 23.03 H new ATOM 0 HG3 MET A 34 5.969 -0.777 -5.328 1.00 23.03 H new ATOM 0 HE1 MET A 34 4.340 0.288 -8.547 1.00 61.22 H new ATOM 0 HE2 MET A 34 4.182 -0.244 -6.856 1.00 61.22 H new ATOM 0 HE3 MET A 34 4.907 1.339 -7.228 1.00 61.22 H new ATOM 536 N CYS A 35 10.031 2.386 -4.396 1.00 4.20 N ATOM 537 CA CYS A 35 10.738 3.463 -3.710 1.00 61.52 C ATOM 538 C CYS A 35 11.533 4.323 -4.702 1.00 43.43 C ATOM 539 O CYS A 35 11.402 5.543 -4.684 1.00 64.21 O ATOM 540 CB CYS A 35 11.645 2.903 -2.609 1.00 64.40 C ATOM 541 SG CYS A 35 10.684 1.926 -1.418 1.00 61.35 S ATOM 0 H CYS A 35 10.253 1.451 -4.055 1.00 4.20 H new ATOM 0 HA CYS A 35 9.996 4.107 -3.238 1.00 61.52 H new ATOM 0 HB2 CYS A 35 12.422 2.281 -3.053 1.00 64.40 H new ATOM 0 HB3 CYS A 35 12.147 3.722 -2.094 1.00 64.40 H new ATOM 0 HG CYS A 35 10.258 0.840 -1.991 1.00 61.35 H new ATOM 547 N SER A 36 12.347 3.704 -5.562 1.00 74.34 N ATOM 548 CA SER A 36 13.220 4.380 -6.519 1.00 31.21 C ATOM 549 C SER A 36 12.424 5.273 -7.462 1.00 43.45 C ATOM 550 O SER A 36 12.790 6.425 -7.689 1.00 54.31 O ATOM 551 CB SER A 36 14.059 3.326 -7.256 1.00 74.52 C ATOM 552 OG SER A 36 13.403 2.612 -8.289 1.00 40.11 O ATOM 0 H SER A 36 12.417 2.688 -5.611 1.00 74.34 H new ATOM 0 HA SER A 36 13.901 5.048 -5.992 1.00 31.21 H new ATOM 0 HB2 SER A 36 14.932 3.820 -7.683 1.00 74.52 H new ATOM 0 HB3 SER A 36 14.426 2.607 -6.523 1.00 74.52 H new ATOM 0 HG SER A 36 12.493 2.387 -8.004 1.00 40.11 H new ATOM 558 N THR A 37 11.316 4.726 -7.961 1.00 42.41 N ATOM 559 CA THR A 37 10.411 5.381 -8.903 1.00 32.02 C ATOM 560 C THR A 37 10.124 6.821 -8.435 1.00 40.22 C ATOM 561 O THR A 37 10.444 7.775 -9.147 1.00 65.41 O ATOM 562 CB THR A 37 9.119 4.560 -9.112 1.00 63.12 C ATOM 563 OG1 THR A 37 9.335 3.194 -9.433 1.00 72.44 O ATOM 564 CG2 THR A 37 8.299 5.143 -10.268 1.00 12.03 C ATOM 0 H THR A 37 11.014 3.784 -7.712 1.00 42.41 H new ATOM 0 HA THR A 37 10.895 5.435 -9.878 1.00 32.02 H new ATOM 0 HB THR A 37 8.604 4.617 -8.153 1.00 63.12 H new ATOM 0 HG1 THR A 37 9.618 2.710 -8.629 1.00 72.44 H new ATOM 0 HG21 THR A 37 7.392 4.554 -10.404 1.00 12.03 H new ATOM 0 HG22 THR A 37 8.031 6.175 -10.040 1.00 12.03 H new ATOM 0 HG23 THR A 37 8.890 5.115 -11.184 1.00 12.03 H new ATOM 572 N TYR A 38 9.573 6.984 -7.227 1.00 2.32 N ATOM 573 CA TYR A 38 9.078 8.260 -6.700 1.00 31.55 C ATOM 574 C TYR A 38 10.178 9.096 -6.014 1.00 1.12 C ATOM 575 O TYR A 38 9.863 10.088 -5.349 1.00 52.42 O ATOM 576 CB TYR A 38 7.883 7.994 -5.761 1.00 73.44 C ATOM 577 CG TYR A 38 6.649 7.402 -6.434 1.00 1.41 C ATOM 578 CD1 TYR A 38 6.621 6.037 -6.754 1.00 41.44 C ATOM 579 CD2 TYR A 38 5.516 8.192 -6.716 1.00 23.30 C ATOM 580 CE1 TYR A 38 5.511 5.458 -7.379 1.00 52.22 C ATOM 581 CE2 TYR A 38 4.371 7.611 -7.298 1.00 51.15 C ATOM 582 CZ TYR A 38 4.367 6.237 -7.636 1.00 54.04 C ATOM 583 OH TYR A 38 3.290 5.645 -8.222 1.00 11.43 O ATOM 0 H TYR A 38 9.456 6.211 -6.572 1.00 2.32 H new ATOM 0 HA TYR A 38 8.743 8.867 -7.541 1.00 31.55 H new ATOM 0 HB2 TYR A 38 8.206 7.317 -4.970 1.00 73.44 H new ATOM 0 HB3 TYR A 38 7.602 8.932 -5.282 1.00 73.44 H new ATOM 0 HD1 TYR A 38 7.474 5.420 -6.513 1.00 41.44 H new ATOM 0 HD2 TYR A 38 5.525 9.247 -6.485 1.00 23.30 H new ATOM 0 HE1 TYR A 38 5.532 4.416 -7.663 1.00 52.22 H new ATOM 0 HE2 TYR A 38 3.496 8.215 -7.486 1.00 51.15 H new ATOM 0 HH TYR A 38 2.471 5.927 -7.763 1.00 11.43 H new ATOM 593 N ALA A 39 11.450 8.699 -6.134 1.00 54.15 N ATOM 594 CA ALA A 39 12.593 9.281 -5.449 1.00 64.31 C ATOM 595 C ALA A 39 13.444 10.122 -6.413 1.00 42.12 C ATOM 596 O ALA A 39 13.162 10.204 -7.609 1.00 14.31 O ATOM 597 CB ALA A 39 13.380 8.125 -4.833 1.00 11.52 C ATOM 0 H ALA A 39 11.715 7.925 -6.743 1.00 54.15 H new ATOM 0 HA ALA A 39 12.274 9.968 -4.665 1.00 64.31 H new ATOM 0 HB1 ALA A 39 14.250 8.517 -4.307 1.00 11.52 H new ATOM 0 HB2 ALA A 39 12.744 7.585 -4.131 1.00 11.52 H new ATOM 0 HB3 ALA A 39 13.708 7.447 -5.621 1.00 11.52 H new ATOM 603 N SER A 40 14.502 10.756 -5.901 1.00 0.54 N ATOM 604 CA SER A 40 15.321 11.738 -6.627 1.00 61.52 C ATOM 605 C SER A 40 16.735 11.789 -6.052 1.00 43.43 C ATOM 606 O SER A 40 16.949 11.456 -4.893 1.00 1.15 O ATOM 607 CB SER A 40 14.706 13.148 -6.513 1.00 13.00 C ATOM 608 OG SER A 40 13.351 13.173 -6.080 1.00 4.31 O ATOM 0 H SER A 40 14.823 10.599 -4.946 1.00 0.54 H new ATOM 0 HA SER A 40 15.354 11.429 -7.672 1.00 61.52 H new ATOM 0 HB2 SER A 40 15.306 13.736 -5.818 1.00 13.00 H new ATOM 0 HB3 SER A 40 14.772 13.638 -7.485 1.00 13.00 H new ATOM 0 HG SER A 40 13.040 14.101 -6.033 1.00 4.31 H new ATOM 728 N ARG A 48 17.343 9.607 -2.853 1.00 62.21 N ATOM 729 CA ARG A 48 16.603 9.969 -1.654 1.00 0.51 C ATOM 730 C ARG A 48 15.198 9.425 -1.786 1.00 31.13 C ATOM 731 O ARG A 48 14.357 10.038 -2.449 1.00 30.44 O ATOM 732 CB ARG A 48 16.513 11.495 -1.513 1.00 33.34 C ATOM 733 CG ARG A 48 17.744 12.167 -0.913 1.00 2.44 C ATOM 734 CD ARG A 48 17.452 13.670 -0.832 1.00 71.10 C ATOM 735 NE ARG A 48 18.238 14.309 0.230 1.00 10.52 N ATOM 736 CZ ARG A 48 17.951 14.304 1.534 1.00 54.51 C ATOM 737 NH1 ARG A 48 16.804 13.785 1.950 1.00 31.50 N ATOM 738 NH2 ARG A 48 18.802 14.812 2.416 1.00 43.30 N ATOM 0 HA ARG A 48 17.112 9.559 -0.782 1.00 0.51 H new ATOM 0 HB2 ARG A 48 16.329 11.924 -2.498 1.00 33.34 H new ATOM 0 HB3 ARG A 48 15.649 11.736 -0.893 1.00 33.34 H new ATOM 0 HG2 ARG A 48 17.957 11.764 0.077 1.00 2.44 H new ATOM 0 HG3 ARG A 48 18.623 11.979 -1.530 1.00 2.44 H new ATOM 0 HD2 ARG A 48 17.680 14.139 -1.789 1.00 71.10 H new ATOM 0 HD3 ARG A 48 16.390 13.827 -0.646 1.00 71.10 H new ATOM 0 HE ARG A 48 19.083 14.804 -0.055 1.00 10.52 H new ATOM 0 HH11 ARG A 48 16.147 13.393 1.275 1.00 31.50 H new ATOM 0 HH12 ARG A 48 16.578 13.778 2.945 1.00 31.50 H new ATOM 0 HH21 ARG A 48 19.686 15.212 2.100 1.00 43.30 H new ATOM 0 HH22 ARG A 48 18.572 14.803 3.410 1.00 43.30 H new ATOM 752 N TYR A 49 14.939 8.299 -1.139 1.00 33.02 N ATOM 753 CA TYR A 49 13.615 7.713 -1.053 1.00 74.52 C ATOM 754 C TYR A 49 12.723 8.646 -0.243 1.00 13.44 C ATOM 755 O TYR A 49 13.061 8.988 0.899 1.00 42.33 O ATOM 756 CB TYR A 49 13.705 6.327 -0.411 1.00 74.43 C ATOM 757 CG TYR A 49 14.578 5.328 -1.151 1.00 41.24 C ATOM 758 CD1 TYR A 49 14.396 5.095 -2.529 1.00 15.41 C ATOM 759 CD2 TYR A 49 15.599 4.647 -0.463 1.00 34.52 C ATOM 760 CE1 TYR A 49 15.198 4.157 -3.205 1.00 14.35 C ATOM 761 CE2 TYR A 49 16.395 3.699 -1.132 1.00 51.53 C ATOM 762 CZ TYR A 49 16.178 3.427 -2.500 1.00 52.43 C ATOM 763 OH TYR A 49 16.951 2.513 -3.145 1.00 60.03 O ATOM 0 H TYR A 49 15.655 7.760 -0.652 1.00 33.02 H new ATOM 0 HA TYR A 49 13.185 7.590 -2.047 1.00 74.52 H new ATOM 0 HB2 TYR A 49 14.087 6.438 0.604 1.00 74.43 H new ATOM 0 HB3 TYR A 49 12.699 5.916 -0.329 1.00 74.43 H new ATOM 0 HD1 TYR A 49 13.636 5.640 -3.070 1.00 15.41 H new ATOM 0 HD2 TYR A 49 15.772 4.853 0.583 1.00 34.52 H new ATOM 0 HE1 TYR A 49 15.063 3.996 -4.264 1.00 14.35 H new ATOM 0 HE2 TYR A 49 17.175 3.178 -0.597 1.00 51.53 H new ATOM 0 HH TYR A 49 16.396 1.994 -3.764 1.00 60.03 H new ATOM 773 N SER A 50 11.619 9.083 -0.841 1.00 31.04 N ATOM 774 CA SER A 50 10.634 9.935 -0.200 1.00 55.24 C ATOM 775 C SER A 50 9.996 9.206 0.992 1.00 64.14 C ATOM 776 O SER A 50 9.873 7.978 0.972 1.00 11.33 O ATOM 777 CB SER A 50 9.588 10.322 -1.245 1.00 71.45 C ATOM 778 OG SER A 50 10.218 10.960 -2.344 1.00 53.20 O ATOM 0 H SER A 50 11.383 8.847 -1.805 1.00 31.04 H new ATOM 0 HA SER A 50 11.104 10.838 0.190 1.00 55.24 H new ATOM 0 HB2 SER A 50 9.055 9.434 -1.585 1.00 71.45 H new ATOM 0 HB3 SER A 50 8.848 10.988 -0.802 1.00 71.45 H new ATOM 0 HG SER A 50 9.970 10.502 -3.174 1.00 53.20 H new ATOM 784 N PRO A 51 9.560 9.939 2.029 1.00 24.41 N ATOM 785 CA PRO A 51 9.138 9.347 3.291 1.00 3.42 C ATOM 786 C PRO A 51 7.823 8.581 3.160 1.00 3.22 C ATOM 787 O PRO A 51 7.562 7.699 3.975 1.00 33.32 O ATOM 788 CB PRO A 51 8.990 10.528 4.255 1.00 13.32 C ATOM 789 CG PRO A 51 8.614 11.676 3.322 1.00 40.43 C ATOM 790 CD PRO A 51 9.459 11.387 2.090 1.00 52.13 C ATOM 0 HA PRO A 51 9.863 8.613 3.642 1.00 3.42 H new ATOM 0 HB2 PRO A 51 8.219 10.346 5.004 1.00 13.32 H new ATOM 0 HB3 PRO A 51 9.916 10.730 4.793 1.00 13.32 H new ATOM 0 HG2 PRO A 51 7.549 11.680 3.092 1.00 40.43 H new ATOM 0 HG3 PRO A 51 8.850 12.647 3.757 1.00 40.43 H new ATOM 0 HD2 PRO A 51 8.993 11.788 1.190 1.00 52.13 H new ATOM 0 HD3 PRO A 51 10.444 11.847 2.171 1.00 52.13 H new ATOM 798 N TYR A 52 6.996 8.890 2.157 1.00 44.50 N ATOM 799 CA TYR A 52 5.669 8.308 2.014 1.00 0.02 C ATOM 800 C TYR A 52 5.692 6.878 1.480 1.00 41.14 C ATOM 801 O TYR A 52 4.629 6.322 1.217 1.00 12.54 O ATOM 802 CB TYR A 52 4.770 9.228 1.167 1.00 62.24 C ATOM 803 CG TYR A 52 4.717 10.684 1.608 1.00 73.12 C ATOM 804 CD1 TYR A 52 4.586 11.030 2.968 1.00 53.10 C ATOM 805 CD2 TYR A 52 4.787 11.706 0.642 1.00 73.20 C ATOM 806 CE1 TYR A 52 4.540 12.381 3.353 1.00 74.11 C ATOM 807 CE2 TYR A 52 4.718 13.058 1.018 1.00 44.24 C ATOM 808 CZ TYR A 52 4.600 13.402 2.381 1.00 42.25 C ATOM 809 OH TYR A 52 4.593 14.707 2.766 1.00 43.21 O ATOM 0 H TYR A 52 7.234 9.555 1.421 1.00 44.50 H new ATOM 0 HA TYR A 52 5.241 8.233 3.014 1.00 0.02 H new ATOM 0 HB2 TYR A 52 5.115 9.192 0.134 1.00 62.24 H new ATOM 0 HB3 TYR A 52 3.757 8.827 1.178 1.00 62.24 H new ATOM 0 HD1 TYR A 52 4.521 10.254 3.717 1.00 53.10 H new ATOM 0 HD2 TYR A 52 4.895 11.447 -0.401 1.00 73.20 H new ATOM 0 HE1 TYR A 52 4.458 12.639 4.399 1.00 74.11 H new ATOM 0 HE2 TYR A 52 4.755 13.832 0.266 1.00 44.24 H new ATOM 0 HH TYR A 52 4.641 15.282 1.974 1.00 43.21 H new ATOM 819 N LEU A 53 6.873 6.286 1.299 1.00 5.44 N ATOM 820 CA LEU A 53 7.085 5.061 0.552 1.00 1.23 C ATOM 821 C LEU A 53 8.324 4.393 1.128 1.00 64.40 C ATOM 822 O LEU A 53 9.439 4.839 0.839 1.00 70.31 O ATOM 823 CB LEU A 53 7.293 5.445 -0.924 1.00 33.32 C ATOM 824 CG LEU A 53 6.085 5.147 -1.817 1.00 31.44 C ATOM 825 CD1 LEU A 53 6.274 5.850 -3.164 1.00 11.52 C ATOM 826 CD2 LEU A 53 5.969 3.635 -2.015 1.00 31.10 C ATOM 0 H LEU A 53 7.736 6.667 1.686 1.00 5.44 H new ATOM 0 HA LEU A 53 6.242 4.374 0.620 1.00 1.23 H new ATOM 0 HB2 LEU A 53 7.524 6.509 -0.984 1.00 33.32 H new ATOM 0 HB3 LEU A 53 8.160 4.909 -1.310 1.00 33.32 H new ATOM 0 HG LEU A 53 5.170 5.513 -1.351 1.00 31.44 H new ATOM 0 HD11 LEU A 53 5.418 5.643 -3.806 1.00 11.52 H new ATOM 0 HD12 LEU A 53 6.356 6.925 -3.005 1.00 11.52 H new ATOM 0 HD13 LEU A 53 7.183 5.483 -3.641 1.00 11.52 H new ATOM 0 HD21 LEU A 53 5.111 3.416 -2.650 1.00 31.10 H new ATOM 0 HD22 LEU A 53 6.876 3.259 -2.489 1.00 31.10 H new ATOM 0 HD23 LEU A 53 5.838 3.150 -1.048 1.00 31.10 H new ATOM 838 N LYS A 54 8.149 3.376 1.978 1.00 4.23 N ATOM 839 CA LYS A 54 9.273 2.692 2.617 1.00 62.30 C ATOM 840 C LYS A 54 9.065 1.182 2.676 1.00 5.45 C ATOM 841 O LYS A 54 7.925 0.734 2.814 1.00 72.50 O ATOM 842 CB LYS A 54 9.523 3.246 4.032 1.00 32.03 C ATOM 843 CG LYS A 54 10.252 4.606 4.040 1.00 4.22 C ATOM 844 CD LYS A 54 11.423 4.624 5.032 1.00 31.22 C ATOM 845 CE LYS A 54 10.979 4.469 6.489 1.00 63.52 C ATOM 846 NZ LYS A 54 10.642 5.756 7.122 1.00 54.22 N ATOM 0 H LYS A 54 7.234 3.008 2.239 1.00 4.23 H new ATOM 0 HA LYS A 54 10.151 2.884 2.001 1.00 62.30 H new ATOM 0 HB2 LYS A 54 8.568 3.352 4.546 1.00 32.03 H new ATOM 0 HB3 LYS A 54 10.112 2.524 4.598 1.00 32.03 H new ATOM 0 HG2 LYS A 54 10.622 4.825 3.038 1.00 4.22 H new ATOM 0 HG3 LYS A 54 9.545 5.395 4.299 1.00 4.22 H new ATOM 0 HD2 LYS A 54 12.115 3.820 4.782 1.00 31.22 H new ATOM 0 HD3 LYS A 54 11.969 5.561 4.923 1.00 31.22 H new ATOM 0 HE2 LYS A 54 10.112 3.810 6.532 1.00 63.52 H new ATOM 0 HE3 LYS A 54 11.774 3.987 7.057 1.00 63.52 H new ATOM 0 HZ1 LYS A 54 10.348 5.592 8.106 1.00 54.22 H new ATOM 0 HZ2 LYS A 54 11.475 6.378 7.108 1.00 54.22 H new ATOM 0 HZ3 LYS A 54 9.864 6.207 6.599 1.00 54.22 H new ATOM 860 N PRO A 55 10.150 0.386 2.642 1.00 51.12 N ATOM 861 CA PRO A 55 10.083 -1.027 2.978 1.00 20.51 C ATOM 862 C PRO A 55 9.675 -1.189 4.445 1.00 65.12 C ATOM 863 O PRO A 55 9.780 -0.257 5.249 1.00 21.42 O ATOM 864 CB PRO A 55 11.493 -1.577 2.727 1.00 31.22 C ATOM 865 CG PRO A 55 12.386 -0.362 2.947 1.00 41.42 C ATOM 866 CD PRO A 55 11.535 0.788 2.421 1.00 33.13 C ATOM 0 HA PRO A 55 9.344 -1.564 2.382 1.00 20.51 H new ATOM 0 HB2 PRO A 55 11.738 -2.386 3.415 1.00 31.22 H new ATOM 0 HB3 PRO A 55 11.596 -1.975 1.717 1.00 31.22 H new ATOM 0 HG2 PRO A 55 12.636 -0.230 4.000 1.00 41.42 H new ATOM 0 HG3 PRO A 55 13.327 -0.449 2.404 1.00 41.42 H new ATOM 0 HD2 PRO A 55 11.762 1.716 2.946 1.00 33.13 H new ATOM 0 HD3 PRO A 55 11.727 0.966 1.363 1.00 33.13 H new ATOM 874 N ARG A 56 9.268 -2.399 4.815 1.00 42.20 N ATOM 875 CA ARG A 56 8.978 -2.811 6.186 1.00 54.12 C ATOM 876 C ARG A 56 9.583 -4.202 6.415 1.00 71.20 C ATOM 877 O ARG A 56 10.265 -4.718 5.528 1.00 24.12 O ATOM 878 CB ARG A 56 7.463 -2.762 6.409 1.00 52.12 C ATOM 879 CG ARG A 56 7.007 -1.414 6.990 1.00 22.13 C ATOM 880 CD ARG A 56 5.520 -1.579 7.292 1.00 64.45 C ATOM 881 NE ARG A 56 4.939 -0.534 8.154 1.00 53.34 N ATOM 882 CZ ARG A 56 4.826 -0.630 9.484 1.00 22.34 C ATOM 883 NH1 ARG A 56 5.606 -1.445 10.182 1.00 3.22 N ATOM 884 NH2 ARG A 56 3.912 0.073 10.133 1.00 13.01 N ATOM 0 H ARG A 56 9.125 -3.151 4.141 1.00 42.20 H new ATOM 0 HA ARG A 56 9.427 -2.138 6.917 1.00 54.12 H new ATOM 0 HB2 ARG A 56 6.952 -2.940 5.463 1.00 52.12 H new ATOM 0 HB3 ARG A 56 7.170 -3.565 7.085 1.00 52.12 H new ATOM 0 HG2 ARG A 56 7.565 -1.167 7.893 1.00 22.13 H new ATOM 0 HG3 ARG A 56 7.175 -0.604 6.280 1.00 22.13 H new ATOM 0 HD2 ARG A 56 4.973 -1.597 6.349 1.00 64.45 H new ATOM 0 HD3 ARG A 56 5.367 -2.548 7.768 1.00 64.45 H new ATOM 0 HE ARG A 56 4.601 0.318 7.707 1.00 53.34 H new ATOM 0 HH11 ARG A 56 6.307 -2.012 9.705 1.00 3.22 H new ATOM 0 HH12 ARG A 56 5.505 -1.504 11.195 1.00 3.22 H new ATOM 0 HH21 ARG A 56 3.287 0.694 9.619 1.00 13.01 H new ATOM 0 HH22 ARG A 56 3.833 -0.006 11.147 1.00 13.01 H new ATOM 898 N VAL A 57 9.348 -4.810 7.580 1.00 15.22 N ATOM 899 CA VAL A 57 9.432 -6.254 7.775 1.00 51.35 C ATOM 900 C VAL A 57 8.264 -6.629 8.696 1.00 51.13 C ATOM 901 O VAL A 57 8.178 -6.132 9.821 1.00 34.21 O ATOM 902 CB VAL A 57 10.799 -6.685 8.354 1.00 70.05 C ATOM 903 CG1 VAL A 57 10.832 -8.208 8.571 1.00 3.43 C ATOM 904 CG2 VAL A 57 11.987 -6.327 7.447 1.00 52.32 C ATOM 0 H VAL A 57 9.090 -4.302 8.426 1.00 15.22 H new ATOM 0 HA VAL A 57 9.358 -6.781 6.824 1.00 51.35 H new ATOM 0 HB VAL A 57 10.901 -6.140 9.293 1.00 70.05 H new ATOM 0 HG11 VAL A 57 11.801 -8.496 8.979 1.00 3.43 H new ATOM 0 HG12 VAL A 57 10.045 -8.493 9.269 1.00 3.43 H new ATOM 0 HG13 VAL A 57 10.674 -8.715 7.619 1.00 3.43 H new ATOM 0 HG21 VAL A 57 12.914 -6.658 7.914 1.00 52.32 H new ATOM 0 HG22 VAL A 57 11.870 -6.821 6.482 1.00 52.32 H new ATOM 0 HG23 VAL A 57 12.020 -5.247 7.300 1.00 52.32 H new ATOM 914 N ILE A 58 7.374 -7.498 8.219 1.00 54.15 N ATOM 915 CA ILE A 58 6.154 -7.967 8.869 1.00 52.23 C ATOM 916 C ILE A 58 6.082 -9.437 8.509 1.00 60.52 C ATOM 917 O ILE A 58 6.186 -9.755 7.325 1.00 61.43 O ATOM 918 CB ILE A 58 4.898 -7.214 8.353 1.00 34.44 C ATOM 919 CG1 ILE A 58 5.016 -5.716 8.732 1.00 71.13 C ATOM 920 CG2 ILE A 58 3.607 -7.862 8.900 1.00 44.21 C ATOM 921 CD1 ILE A 58 3.810 -4.855 8.380 1.00 22.21 C ATOM 0 H ILE A 58 7.497 -7.923 7.300 1.00 54.15 H new ATOM 0 HA ILE A 58 6.176 -7.793 9.945 1.00 52.23 H new ATOM 0 HB ILE A 58 4.841 -7.286 7.267 1.00 34.44 H new ATOM 0 HG12 ILE A 58 5.192 -5.643 9.805 1.00 71.13 H new ATOM 0 HG13 ILE A 58 5.894 -5.302 8.236 1.00 71.13 H new ATOM 0 HG21 ILE A 58 2.740 -7.318 8.525 1.00 44.21 H new ATOM 0 HG22 ILE A 58 3.554 -8.900 8.572 1.00 44.21 H new ATOM 0 HG23 ILE A 58 3.615 -7.826 9.989 1.00 44.21 H new ATOM 0 HD11 ILE A 58 3.996 -3.826 8.687 1.00 22.21 H new ATOM 0 HD12 ILE A 58 3.641 -4.888 7.304 1.00 22.21 H new ATOM 0 HD13 ILE A 58 2.929 -5.235 8.897 1.00 22.21 H new ATOM 933 N GLU A 59 5.935 -10.320 9.496 1.00 4.01 N ATOM 934 CA GLU A 59 5.914 -11.773 9.332 1.00 74.55 C ATOM 935 C GLU A 59 7.092 -12.259 8.467 1.00 42.23 C ATOM 936 O GLU A 59 6.986 -13.215 7.700 1.00 15.21 O ATOM 937 CB GLU A 59 4.520 -12.255 8.868 1.00 13.32 C ATOM 938 CG GLU A 59 3.454 -12.015 9.952 1.00 4.54 C ATOM 939 CD GLU A 59 2.076 -12.564 9.572 1.00 62.34 C ATOM 940 OE1 GLU A 59 1.832 -13.780 9.741 1.00 51.11 O ATOM 941 OE2 GLU A 59 1.190 -11.768 9.173 1.00 10.21 O ATOM 0 H GLU A 59 5.823 -10.032 10.468 1.00 4.01 H new ATOM 0 HA GLU A 59 6.072 -12.247 10.301 1.00 74.55 H new ATOM 0 HB2 GLU A 59 4.237 -11.731 7.955 1.00 13.32 H new ATOM 0 HB3 GLU A 59 4.562 -13.317 8.626 1.00 13.32 H new ATOM 0 HG2 GLU A 59 3.780 -12.480 10.882 1.00 4.54 H new ATOM 0 HG3 GLU A 59 3.372 -10.945 10.142 1.00 4.54 H new ATOM 948 N GLY A 60 8.238 -11.575 8.555 1.00 24.21 N ATOM 949 CA GLY A 60 9.431 -11.867 7.775 1.00 43.20 C ATOM 950 C GLY A 60 9.317 -11.517 6.287 1.00 53.20 C ATOM 951 O GLY A 60 10.277 -11.748 5.551 1.00 53.20 O ATOM 0 H GLY A 60 8.358 -10.785 9.188 1.00 24.21 H new ATOM 0 HA2 GLY A 60 10.272 -11.319 8.201 1.00 43.20 H new ATOM 0 HA3 GLY A 60 9.661 -12.928 7.869 1.00 43.20 H new ATOM 955 N VAL A 61 8.193 -10.985 5.808 1.00 20.04 N ATOM 956 CA VAL A 61 7.983 -10.494 4.446 1.00 34.15 C ATOM 957 C VAL A 61 8.711 -9.149 4.274 1.00 3.54 C ATOM 958 O VAL A 61 9.125 -8.525 5.252 1.00 33.32 O ATOM 959 CB VAL A 61 6.461 -10.378 4.165 1.00 71.12 C ATOM 960 CG1 VAL A 61 6.140 -10.194 2.667 1.00 22.13 C ATOM 961 CG2 VAL A 61 5.668 -11.608 4.637 1.00 50.31 C ATOM 0 H VAL A 61 7.361 -10.879 6.389 1.00 20.04 H new ATOM 0 HA VAL A 61 8.398 -11.192 3.719 1.00 34.15 H new ATOM 0 HB VAL A 61 6.161 -9.495 4.729 1.00 71.12 H new ATOM 0 HG11 VAL A 61 5.061 -10.119 2.533 1.00 22.13 H new ATOM 0 HG12 VAL A 61 6.615 -9.283 2.302 1.00 22.13 H new ATOM 0 HG13 VAL A 61 6.517 -11.049 2.106 1.00 22.13 H new ATOM 0 HG21 VAL A 61 4.611 -11.467 4.413 1.00 50.31 H new ATOM 0 HG22 VAL A 61 6.033 -12.496 4.121 1.00 50.31 H new ATOM 0 HG23 VAL A 61 5.797 -11.734 5.712 1.00 50.31 H new ATOM 971 N ARG A 62 8.888 -8.692 3.028 1.00 51.30 N ATOM 972 CA ARG A 62 9.368 -7.344 2.699 1.00 33.23 C ATOM 973 C ARG A 62 8.236 -6.327 2.874 1.00 43.23 C ATOM 974 O ARG A 62 8.201 -5.630 3.877 1.00 62.32 O ATOM 975 CB ARG A 62 9.985 -7.288 1.282 1.00 72.34 C ATOM 976 CG ARG A 62 11.146 -8.274 1.066 1.00 20.11 C ATOM 977 CD ARG A 62 10.694 -9.581 0.392 1.00 4.23 C ATOM 978 NE ARG A 62 11.675 -10.650 0.612 1.00 42.55 N ATOM 979 CZ ARG A 62 11.644 -11.903 0.141 1.00 42.44 C ATOM 980 NH1 ARG A 62 10.646 -12.358 -0.614 1.00 24.13 N ATOM 981 NH2 ARG A 62 12.665 -12.700 0.416 1.00 54.31 N ATOM 0 H ARG A 62 8.698 -9.261 2.203 1.00 51.30 H new ATOM 0 HA ARG A 62 10.168 -7.083 3.392 1.00 33.23 H new ATOM 0 HB2 ARG A 62 9.205 -7.495 0.549 1.00 72.34 H new ATOM 0 HB3 ARG A 62 10.341 -6.276 1.092 1.00 72.34 H new ATOM 0 HG2 ARG A 62 11.912 -7.799 0.453 1.00 20.11 H new ATOM 0 HG3 ARG A 62 11.605 -8.505 2.027 1.00 20.11 H new ATOM 0 HD2 ARG A 62 9.725 -9.884 0.789 1.00 4.23 H new ATOM 0 HD3 ARG A 62 10.563 -9.417 -0.678 1.00 4.23 H new ATOM 0 HE ARG A 62 12.477 -10.409 1.194 1.00 42.55 H new ATOM 0 HH11 ARG A 62 9.867 -11.745 -0.853 1.00 24.13 H new ATOM 0 HH12 ARG A 62 10.661 -13.320 -0.953 1.00 24.13 H new ATOM 0 HH21 ARG A 62 13.446 -12.354 0.973 1.00 54.31 H new ATOM 0 HH22 ARG A 62 12.670 -13.660 0.071 1.00 54.31 H new ATOM 995 N CYS A 63 7.256 -6.298 1.966 1.00 44.44 N ATOM 996 CA CYS A 63 6.149 -5.331 1.934 1.00 14.32 C ATOM 997 C CYS A 63 6.628 -3.887 1.723 1.00 23.41 C ATOM 998 O CYS A 63 7.819 -3.591 1.813 1.00 13.11 O ATOM 999 CB CYS A 63 5.252 -5.420 3.188 1.00 54.21 C ATOM 1000 SG CYS A 63 4.923 -7.133 3.676 1.00 54.34 S ATOM 0 H CYS A 63 7.208 -6.973 1.202 1.00 44.44 H new ATOM 0 HA CYS A 63 5.548 -5.610 1.069 1.00 14.32 H new ATOM 0 HB2 CYS A 63 5.732 -4.895 4.014 1.00 54.21 H new ATOM 0 HB3 CYS A 63 4.307 -4.912 2.993 1.00 54.21 H new ATOM 0 HG CYS A 63 4.168 -7.145 4.734 1.00 54.34 H new ATOM 1006 N LEU A 64 5.679 -2.996 1.438 1.00 1.33 N ATOM 1007 CA LEU A 64 5.900 -1.591 1.120 1.00 4.34 C ATOM 1008 C LEU A 64 4.830 -0.773 1.846 1.00 63.40 C ATOM 1009 O LEU A 64 3.652 -0.843 1.487 1.00 0.00 O ATOM 1010 CB LEU A 64 5.836 -1.422 -0.406 1.00 4.43 C ATOM 1011 CG LEU A 64 6.025 0.017 -0.919 1.00 14.15 C ATOM 1012 CD1 LEU A 64 7.455 0.539 -0.727 1.00 14.43 C ATOM 1013 CD2 LEU A 64 5.686 0.007 -2.411 1.00 72.44 C ATOM 0 H LEU A 64 4.691 -3.248 1.423 1.00 1.33 H new ATOM 0 HA LEU A 64 6.878 -1.241 1.449 1.00 4.34 H new ATOM 0 HB2 LEU A 64 6.601 -2.054 -0.857 1.00 4.43 H new ATOM 0 HB3 LEU A 64 4.872 -1.791 -0.755 1.00 4.43 H new ATOM 0 HG LEU A 64 5.376 0.681 -0.348 1.00 14.15 H new ATOM 0 HD11 LEU A 64 7.525 1.558 -1.108 1.00 14.43 H new ATOM 0 HD12 LEU A 64 7.706 0.530 0.334 1.00 14.43 H new ATOM 0 HD13 LEU A 64 8.152 -0.100 -1.270 1.00 14.43 H new ATOM 0 HD21 LEU A 64 5.807 1.011 -2.818 1.00 72.44 H new ATOM 0 HD22 LEU A 64 6.355 -0.679 -2.931 1.00 72.44 H new ATOM 0 HD23 LEU A 64 4.655 -0.318 -2.548 1.00 72.44 H new ATOM 1025 N ALA A 65 5.211 -0.068 2.911 1.00 63.10 N ATOM 1026 CA ALA A 65 4.345 0.901 3.568 1.00 1.13 C ATOM 1027 C ALA A 65 4.158 2.086 2.623 1.00 31.23 C ATOM 1028 O ALA A 65 5.130 2.531 2.004 1.00 73.54 O ATOM 1029 CB ALA A 65 4.991 1.390 4.867 1.00 51.22 C ATOM 0 H ALA A 65 6.132 -0.156 3.341 1.00 63.10 H new ATOM 0 HA ALA A 65 3.386 0.440 3.805 1.00 1.13 H new ATOM 0 HB1 ALA A 65 4.335 2.114 5.350 1.00 51.22 H new ATOM 0 HB2 ALA A 65 5.151 0.544 5.535 1.00 51.22 H new ATOM 0 HB3 ALA A 65 5.948 1.861 4.643 1.00 51.22 H new ATOM 1035 N VAL A 66 2.934 2.606 2.539 1.00 33.24 N ATOM 1036 CA VAL A 66 2.609 3.782 1.748 1.00 51.13 C ATOM 1037 C VAL A 66 1.764 4.683 2.650 1.00 1.13 C ATOM 1038 O VAL A 66 0.658 4.318 3.060 1.00 31.33 O ATOM 1039 CB VAL A 66 1.923 3.437 0.420 1.00 74.35 C ATOM 1040 CG1 VAL A 66 1.782 4.721 -0.406 1.00 52.33 C ATOM 1041 CG2 VAL A 66 2.711 2.423 -0.430 1.00 2.31 C ATOM 0 H VAL A 66 2.130 2.212 3.028 1.00 33.24 H new ATOM 0 HA VAL A 66 3.515 4.301 1.435 1.00 51.13 H new ATOM 0 HB VAL A 66 0.961 2.989 0.670 1.00 74.35 H new ATOM 0 HG11 VAL A 66 1.296 4.492 -1.354 1.00 52.33 H new ATOM 0 HG12 VAL A 66 1.181 5.444 0.145 1.00 52.33 H new ATOM 0 HG13 VAL A 66 2.770 5.141 -0.597 1.00 52.33 H new ATOM 0 HG21 VAL A 66 2.169 2.224 -1.355 1.00 2.31 H new ATOM 0 HG22 VAL A 66 3.694 2.832 -0.666 1.00 2.31 H new ATOM 0 HG23 VAL A 66 2.829 1.494 0.128 1.00 2.31 H new ATOM 1051 N ASP A 67 2.325 5.831 3.013 1.00 12.31 N ATOM 1052 CA ASP A 67 1.700 6.844 3.857 1.00 45.33 C ATOM 1053 C ASP A 67 0.625 7.561 3.040 1.00 52.52 C ATOM 1054 O ASP A 67 0.912 8.030 1.933 1.00 2.22 O ATOM 1055 CB ASP A 67 2.795 7.822 4.306 1.00 51.14 C ATOM 1056 CG ASP A 67 2.370 8.705 5.469 1.00 60.43 C ATOM 1057 OD1 ASP A 67 1.227 9.201 5.460 1.00 62.21 O ATOM 1058 OD2 ASP A 67 3.198 8.916 6.383 1.00 61.11 O ATOM 0 H ASP A 67 3.265 6.092 2.716 1.00 12.31 H new ATOM 0 HA ASP A 67 1.230 6.403 4.736 1.00 45.33 H new ATOM 0 HB2 ASP A 67 3.682 7.257 4.592 1.00 51.14 H new ATOM 0 HB3 ASP A 67 3.077 8.453 3.463 1.00 51.14 H new ATOM 1063 N LEU A 68 -0.614 7.651 3.543 1.00 62.11 N ATOM 1064 CA LEU A 68 -1.731 8.287 2.830 1.00 25.13 C ATOM 1065 C LEU A 68 -1.576 9.813 2.670 1.00 2.12 C ATOM 1066 O LEU A 68 -2.408 10.470 2.046 1.00 51.32 O ATOM 1067 CB LEU A 68 -3.091 7.918 3.445 1.00 34.22 C ATOM 1068 CG LEU A 68 -3.924 6.998 2.535 1.00 62.44 C ATOM 1069 CD1 LEU A 68 -5.154 6.484 3.286 1.00 32.23 C ATOM 1070 CD2 LEU A 68 -4.376 7.688 1.243 1.00 65.11 C ATOM 0 H LEU A 68 -0.871 7.283 4.459 1.00 62.11 H new ATOM 0 HA LEU A 68 -1.700 7.878 1.820 1.00 25.13 H new ATOM 0 HB2 LEU A 68 -2.930 7.425 4.404 1.00 34.22 H new ATOM 0 HB3 LEU A 68 -3.654 8.830 3.646 1.00 34.22 H new ATOM 0 HG LEU A 68 -3.274 6.168 2.256 1.00 62.44 H new ATOM 0 HD11 LEU A 68 -5.735 5.834 2.631 1.00 32.23 H new ATOM 0 HD12 LEU A 68 -4.836 5.923 4.165 1.00 32.23 H new ATOM 0 HD13 LEU A 68 -5.769 7.328 3.598 1.00 32.23 H new ATOM 0 HD21 LEU A 68 -4.959 6.990 0.642 1.00 65.11 H new ATOM 0 HD22 LEU A 68 -4.989 8.555 1.489 1.00 65.11 H new ATOM 0 HD23 LEU A 68 -3.502 8.011 0.678 1.00 65.11 H new ATOM 1082 N LYS A 69 -0.516 10.412 3.219 1.00 33.44 N ATOM 1083 CA LYS A 69 -0.206 11.833 3.048 1.00 64.13 C ATOM 1084 C LYS A 69 0.029 12.155 1.573 1.00 31.11 C ATOM 1085 O LYS A 69 -0.414 13.204 1.115 1.00 32.11 O ATOM 1086 CB LYS A 69 1.005 12.219 3.919 1.00 55.45 C ATOM 1087 CG LYS A 69 1.003 13.655 4.473 1.00 33.21 C ATOM 1088 CD LYS A 69 1.106 14.802 3.453 1.00 55.15 C ATOM 1089 CE LYS A 69 -0.259 15.415 3.087 1.00 72.21 C ATOM 1090 NZ LYS A 69 -0.890 16.204 4.170 1.00 11.10 N ATOM 0 H LYS A 69 0.159 9.917 3.802 1.00 33.44 H new ATOM 0 HA LYS A 69 -1.057 12.428 3.379 1.00 64.13 H new ATOM 0 HB2 LYS A 69 1.060 11.526 4.759 1.00 55.45 H new ATOM 0 HB3 LYS A 69 1.911 12.078 3.330 1.00 55.45 H new ATOM 0 HG2 LYS A 69 0.087 13.794 5.047 1.00 33.21 H new ATOM 0 HG3 LYS A 69 1.834 13.749 5.172 1.00 33.21 H new ATOM 0 HD2 LYS A 69 1.750 15.582 3.858 1.00 55.15 H new ATOM 0 HD3 LYS A 69 1.585 14.431 2.547 1.00 55.15 H new ATOM 0 HE2 LYS A 69 -0.133 16.056 2.214 1.00 72.21 H new ATOM 0 HE3 LYS A 69 -0.937 14.612 2.797 1.00 72.21 H new ATOM 0 HZ1 LYS A 69 -1.742 16.676 3.805 1.00 11.10 H new ATOM 0 HZ2 LYS A 69 -1.154 15.571 4.952 1.00 11.10 H new ATOM 0 HZ3 LYS A 69 -0.219 16.919 4.515 1.00 11.10 H new ATOM 1104 N LEU A 70 0.696 11.279 0.816 1.00 34.02 N ATOM 1105 CA LEU A 70 0.954 11.539 -0.602 1.00 1.51 C ATOM 1106 C LEU A 70 -0.352 11.759 -1.382 1.00 24.52 C ATOM 1107 O LEU A 70 -0.385 12.594 -2.277 1.00 72.52 O ATOM 1108 CB LEU A 70 1.830 10.442 -1.229 1.00 12.24 C ATOM 1109 CG LEU A 70 2.115 10.633 -2.732 1.00 74.31 C ATOM 1110 CD1 LEU A 70 2.940 11.887 -3.028 1.00 1.01 C ATOM 1111 CD2 LEU A 70 2.875 9.407 -3.247 1.00 35.11 C ATOM 0 H LEU A 70 1.064 10.391 1.158 1.00 34.02 H new ATOM 0 HA LEU A 70 1.520 12.468 -0.668 1.00 1.51 H new ATOM 0 HB2 LEU A 70 2.779 10.403 -0.694 1.00 12.24 H new ATOM 0 HB3 LEU A 70 1.342 9.478 -1.084 1.00 12.24 H new ATOM 0 HG LEU A 70 1.155 10.751 -3.234 1.00 74.31 H new ATOM 0 HD11 LEU A 70 3.108 11.967 -4.102 1.00 1.01 H new ATOM 0 HD12 LEU A 70 2.401 12.768 -2.678 1.00 1.01 H new ATOM 0 HD13 LEU A 70 3.899 11.821 -2.515 1.00 1.01 H new ATOM 0 HD21 LEU A 70 3.084 9.528 -4.310 1.00 35.11 H new ATOM 0 HD22 LEU A 70 3.814 9.305 -2.702 1.00 35.11 H new ATOM 0 HD23 LEU A 70 2.269 8.513 -3.096 1.00 35.11 H new ATOM 1123 N LYS A 71 -1.443 11.067 -1.049 1.00 72.12 N ATOM 1124 CA LYS A 71 -2.714 11.172 -1.773 1.00 1.34 C ATOM 1125 C LYS A 71 -3.330 12.565 -1.609 1.00 31.44 C ATOM 1126 O LYS A 71 -4.034 13.024 -2.503 1.00 63.02 O ATOM 1127 CB LYS A 71 -3.655 10.063 -1.279 1.00 63.32 C ATOM 1128 CG LYS A 71 -5.018 9.936 -1.998 1.00 64.32 C ATOM 1129 CD LYS A 71 -5.061 8.713 -2.922 1.00 31.23 C ATOM 1130 CE LYS A 71 -6.440 8.400 -3.521 1.00 32.42 C ATOM 1131 NZ LYS A 71 -6.890 9.377 -4.531 1.00 4.41 N ATOM 0 H LYS A 71 -1.471 10.414 -0.266 1.00 72.12 H new ATOM 0 HA LYS A 71 -2.543 11.038 -2.841 1.00 1.34 H new ATOM 0 HB2 LYS A 71 -3.134 9.110 -1.368 1.00 63.32 H new ATOM 0 HB3 LYS A 71 -3.844 10.225 -0.218 1.00 63.32 H new ATOM 0 HG2 LYS A 71 -5.814 9.861 -1.257 1.00 64.32 H new ATOM 0 HG3 LYS A 71 -5.208 10.838 -2.580 1.00 64.32 H new ATOM 0 HD2 LYS A 71 -4.354 8.867 -3.737 1.00 31.23 H new ATOM 0 HD3 LYS A 71 -4.718 7.842 -2.363 1.00 31.23 H new ATOM 0 HE2 LYS A 71 -6.411 7.410 -3.976 1.00 32.42 H new ATOM 0 HE3 LYS A 71 -7.174 8.360 -2.716 1.00 32.42 H new ATOM 0 HZ1 LYS A 71 -7.841 9.119 -4.864 1.00 4.41 H new ATOM 0 HZ2 LYS A 71 -6.918 10.326 -4.107 1.00 4.41 H new ATOM 0 HZ3 LYS A 71 -6.229 9.375 -5.334 1.00 4.41 H new ATOM 1145 N ASP A 72 -3.039 13.256 -0.507 1.00 2.13 N ATOM 1146 CA ASP A 72 -3.497 14.623 -0.238 1.00 71.14 C ATOM 1147 C ASP A 72 -2.862 15.629 -1.198 1.00 2.02 C ATOM 1148 O ASP A 72 -3.431 16.693 -1.426 1.00 73.04 O ATOM 1149 CB ASP A 72 -3.075 15.002 1.181 1.00 21.41 C ATOM 1150 CG ASP A 72 -3.790 16.222 1.767 1.00 44.00 C ATOM 1151 OD1 ASP A 72 -4.874 16.033 2.362 1.00 34.04 O ATOM 1152 OD2 ASP A 72 -3.158 17.303 1.833 1.00 53.42 O ATOM 0 H ASP A 72 -2.464 12.873 0.243 1.00 2.13 H new ATOM 0 HA ASP A 72 -4.579 14.651 -0.364 1.00 71.14 H new ATOM 0 HB2 ASP A 72 -3.250 14.148 1.836 1.00 21.41 H new ATOM 0 HB3 ASP A 72 -2.002 15.192 1.186 1.00 21.41 H new ATOM 1157 N THR A 73 -1.681 15.303 -1.739 1.00 41.45 N ATOM 1158 CA THR A 73 -0.841 16.237 -2.489 1.00 13.42 C ATOM 1159 C THR A 73 -0.638 15.811 -3.950 1.00 23.00 C ATOM 1160 O THR A 73 -0.460 16.660 -4.825 1.00 71.14 O ATOM 1161 CB THR A 73 0.462 16.467 -1.690 1.00 11.40 C ATOM 1162 OG1 THR A 73 1.076 17.688 -2.035 1.00 12.32 O ATOM 1163 CG2 THR A 73 1.508 15.355 -1.787 1.00 71.44 C ATOM 0 H THR A 73 -1.279 14.368 -1.665 1.00 41.45 H new ATOM 0 HA THR A 73 -1.344 17.199 -2.587 1.00 13.42 H new ATOM 0 HB THR A 73 0.116 16.479 -0.657 1.00 11.40 H new ATOM 0 HG1 THR A 73 1.896 17.802 -1.510 1.00 12.32 H new ATOM 0 HG21 THR A 73 2.379 15.622 -1.189 1.00 71.44 H new ATOM 0 HG22 THR A 73 1.084 14.423 -1.415 1.00 71.44 H new ATOM 0 HG23 THR A 73 1.808 15.227 -2.827 1.00 71.44 H new ATOM 1171 N ASN A 74 -0.694 14.510 -4.243 1.00 31.11 N ATOM 1172 CA ASN A 74 -0.657 13.954 -5.585 1.00 64.35 C ATOM 1173 C ASN A 74 -1.422 12.626 -5.604 1.00 10.13 C ATOM 1174 O ASN A 74 -0.804 11.562 -5.471 1.00 71.25 O ATOM 1175 CB ASN A 74 0.788 13.794 -6.081 1.00 51.30 C ATOM 1176 CG ASN A 74 0.756 13.523 -7.576 1.00 4.13 C ATOM 1177 OD1 ASN A 74 0.412 14.420 -8.335 1.00 45.15 O ATOM 1178 ND2 ASN A 74 1.110 12.345 -8.053 1.00 11.31 N ATOM 0 H ASN A 74 -0.769 13.794 -3.521 1.00 31.11 H new ATOM 0 HA ASN A 74 -1.145 14.643 -6.274 1.00 64.35 H new ATOM 0 HB2 ASN A 74 1.363 14.696 -5.872 1.00 51.30 H new ATOM 0 HB3 ASN A 74 1.280 12.974 -5.558 1.00 51.30 H new ATOM 0 HD21 ASN A 74 1.098 12.178 -9.059 1.00 11.31 H new ATOM 0 HD22 ASN A 74 1.396 11.602 -7.416 1.00 11.31 H new ATOM 1185 N PRO A 75 -2.760 12.650 -5.714 1.00 34.15 N ATOM 1186 CA PRO A 75 -3.573 11.442 -5.645 1.00 4.22 C ATOM 1187 C PRO A 75 -3.299 10.451 -6.778 1.00 73.20 C ATOM 1188 O PRO A 75 -3.354 9.247 -6.542 1.00 23.33 O ATOM 1189 CB PRO A 75 -5.030 11.921 -5.653 1.00 72.22 C ATOM 1190 CG PRO A 75 -4.967 13.324 -6.250 1.00 44.30 C ATOM 1191 CD PRO A 75 -3.612 13.833 -5.775 1.00 64.44 C ATOM 0 HA PRO A 75 -3.330 10.881 -4.743 1.00 4.22 H new ATOM 0 HB2 PRO A 75 -5.661 11.263 -6.251 1.00 72.22 H new ATOM 0 HB3 PRO A 75 -5.449 11.936 -4.647 1.00 72.22 H new ATOM 0 HG2 PRO A 75 -5.033 13.304 -7.338 1.00 44.30 H new ATOM 0 HG3 PRO A 75 -5.783 13.952 -5.893 1.00 44.30 H new ATOM 0 HD2 PRO A 75 -3.207 14.575 -6.463 1.00 64.44 H new ATOM 0 HD3 PRO A 75 -3.691 14.312 -4.799 1.00 64.44 H new ATOM 1199 N GLU A 76 -2.994 10.913 -7.988 1.00 42.02 N ATOM 1200 CA GLU A 76 -2.849 10.069 -9.169 1.00 62.50 C ATOM 1201 C GLU A 76 -1.678 9.105 -9.016 1.00 51.25 C ATOM 1202 O GLU A 76 -1.791 7.913 -9.304 1.00 11.22 O ATOM 1203 CB GLU A 76 -2.587 10.992 -10.359 1.00 61.12 C ATOM 1204 CG GLU A 76 -2.389 10.225 -11.669 1.00 62.11 C ATOM 1205 CD GLU A 76 -2.141 11.157 -12.852 1.00 24.34 C ATOM 1206 OE1 GLU A 76 -1.460 12.194 -12.705 1.00 13.34 O ATOM 1207 OE2 GLU A 76 -2.593 10.804 -13.967 1.00 2.14 O ATOM 0 H GLU A 76 -2.838 11.903 -8.178 1.00 42.02 H new ATOM 0 HA GLU A 76 -3.753 9.477 -9.310 1.00 62.50 H new ATOM 0 HB2 GLU A 76 -3.424 11.682 -10.470 1.00 61.12 H new ATOM 0 HB3 GLU A 76 -1.701 11.595 -10.158 1.00 61.12 H new ATOM 0 HG2 GLU A 76 -1.546 9.542 -11.564 1.00 62.11 H new ATOM 0 HG3 GLU A 76 -3.270 9.615 -11.868 1.00 62.11 H new ATOM 1214 N GLY A 77 -0.535 9.628 -8.586 1.00 5.24 N ATOM 1215 CA GLY A 77 0.663 8.818 -8.448 1.00 75.54 C ATOM 1216 C GLY A 77 0.478 7.748 -7.370 1.00 0.33 C ATOM 1217 O GLY A 77 0.984 6.638 -7.536 1.00 12.00 O ATOM 0 H GLY A 77 -0.416 10.608 -8.328 1.00 5.24 H new ATOM 0 HA2 GLY A 77 0.897 8.343 -9.401 1.00 75.54 H new ATOM 0 HA3 GLY A 77 1.510 9.455 -8.192 1.00 75.54 H new ATOM 1221 N PHE A 78 -0.277 8.040 -6.306 1.00 10.23 N ATOM 1222 CA PHE A 78 -0.688 7.047 -5.320 1.00 45.14 C ATOM 1223 C PHE A 78 -1.582 6.006 -5.980 1.00 22.23 C ATOM 1224 O PHE A 78 -1.363 4.810 -5.818 1.00 31.21 O ATOM 1225 CB PHE A 78 -1.385 7.729 -4.144 1.00 13.30 C ATOM 1226 CG PHE A 78 -1.885 6.756 -3.097 1.00 15.43 C ATOM 1227 CD1 PHE A 78 -3.152 6.157 -3.223 1.00 10.11 C ATOM 1228 CD2 PHE A 78 -1.081 6.449 -1.989 1.00 4.05 C ATOM 1229 CE1 PHE A 78 -3.643 5.331 -2.199 1.00 73.44 C ATOM 1230 CE2 PHE A 78 -1.569 5.621 -0.965 1.00 23.45 C ATOM 1231 CZ PHE A 78 -2.853 5.074 -1.067 1.00 14.11 C ATOM 0 H PHE A 78 -0.620 8.980 -6.107 1.00 10.23 H new ATOM 0 HA PHE A 78 0.191 6.535 -4.928 1.00 45.14 H new ATOM 0 HB2 PHE A 78 -0.693 8.430 -3.677 1.00 13.30 H new ATOM 0 HB3 PHE A 78 -2.226 8.313 -4.518 1.00 13.30 H new ATOM 0 HD1 PHE A 78 -3.747 6.333 -4.107 1.00 10.11 H new ATOM 0 HD2 PHE A 78 -0.081 6.852 -1.923 1.00 4.05 H new ATOM 0 HE1 PHE A 78 -4.627 4.894 -2.282 1.00 73.44 H new ATOM 0 HE2 PHE A 78 -0.956 5.407 -0.102 1.00 23.45 H new ATOM 0 HZ PHE A 78 -3.238 4.452 -0.272 1.00 14.11 H new ATOM 1241 N ASN A 79 -2.571 6.459 -6.745 1.00 11.51 N ATOM 1242 CA ASN A 79 -3.550 5.602 -7.395 1.00 51.33 C ATOM 1243 C ASN A 79 -2.867 4.564 -8.292 1.00 43.24 C ATOM 1244 O ASN A 79 -3.218 3.386 -8.221 1.00 24.32 O ATOM 1245 CB ASN A 79 -4.553 6.455 -8.182 1.00 52.54 C ATOM 1246 CG ASN A 79 -5.527 7.241 -7.319 1.00 22.21 C ATOM 1247 OD1 ASN A 79 -5.670 7.033 -6.118 1.00 22.24 O ATOM 1248 ND2 ASN A 79 -6.221 8.191 -7.919 1.00 2.21 N ATOM 0 H ASN A 79 -2.715 7.451 -6.932 1.00 11.51 H new ATOM 0 HA ASN A 79 -4.097 5.052 -6.629 1.00 51.33 H new ATOM 0 HB2 ASN A 79 -4.001 7.153 -8.812 1.00 52.54 H new ATOM 0 HB3 ASN A 79 -5.120 5.804 -8.847 1.00 52.54 H new ATOM 0 HD21 ASN A 79 -6.880 8.756 -7.384 1.00 2.21 H new ATOM 0 HD22 ASN A 79 -6.098 8.359 -8.917 1.00 2.21 H new ATOM 1255 N GLN A 80 -1.859 4.957 -9.084 1.00 31.33 N ATOM 1256 CA GLN A 80 -1.073 4.020 -9.884 1.00 41.22 C ATOM 1257 C GLN A 80 -0.333 3.003 -9.007 1.00 31.12 C ATOM 1258 O GLN A 80 -0.211 1.838 -9.374 1.00 25.44 O ATOM 1259 CB GLN A 80 -0.059 4.786 -10.747 1.00 52.40 C ATOM 1260 CG GLN A 80 -0.717 5.665 -11.822 1.00 23.51 C ATOM 1261 CD GLN A 80 0.119 5.730 -13.099 1.00 35.14 C ATOM 1262 OE1 GLN A 80 -0.192 5.060 -14.074 1.00 51.32 O ATOM 1263 NE2 GLN A 80 1.192 6.499 -13.139 1.00 30.22 N ATOM 0 H GLN A 80 -1.570 5.930 -9.185 1.00 31.33 H new ATOM 0 HA GLN A 80 -1.767 3.474 -10.523 1.00 41.22 H new ATOM 0 HB2 GLN A 80 0.557 5.413 -10.102 1.00 52.40 H new ATOM 0 HB3 GLN A 80 0.609 4.073 -11.230 1.00 52.40 H new ATOM 0 HG2 GLN A 80 -1.706 5.272 -12.056 1.00 23.51 H new ATOM 0 HG3 GLN A 80 -0.859 6.672 -11.430 1.00 23.51 H new ATOM 0 HE21 GLN A 80 1.450 7.057 -12.325 1.00 30.22 H new ATOM 0 HE22 GLN A 80 1.763 6.535 -13.984 1.00 30.22 H new ATOM 1272 N LEU A 81 0.145 3.417 -7.832 1.00 45.13 N ATOM 1273 CA LEU A 81 0.852 2.533 -6.910 1.00 13.02 C ATOM 1274 C LEU A 81 -0.061 1.426 -6.402 1.00 43.10 C ATOM 1275 O LEU A 81 0.385 0.286 -6.247 1.00 54.33 O ATOM 1276 CB LEU A 81 1.363 3.347 -5.712 1.00 40.43 C ATOM 1277 CG LEU A 81 2.701 2.786 -5.197 1.00 60.23 C ATOM 1278 CD1 LEU A 81 3.701 3.881 -4.838 1.00 21.41 C ATOM 1279 CD2 LEU A 81 2.521 1.901 -3.968 1.00 54.21 C ATOM 0 H LEU A 81 0.052 4.375 -7.495 1.00 45.13 H new ATOM 0 HA LEU A 81 1.686 2.080 -7.445 1.00 13.02 H new ATOM 0 HB2 LEU A 81 1.489 4.390 -6.003 1.00 40.43 H new ATOM 0 HB3 LEU A 81 0.623 3.327 -4.912 1.00 40.43 H new ATOM 0 HG LEU A 81 3.091 2.197 -6.027 1.00 60.23 H new ATOM 0 HD11 LEU A 81 4.625 3.427 -4.481 1.00 21.41 H new ATOM 0 HD12 LEU A 81 3.911 4.486 -5.720 1.00 21.41 H new ATOM 0 HD13 LEU A 81 3.282 4.514 -4.056 1.00 21.41 H new ATOM 0 HD21 LEU A 81 3.492 1.529 -3.642 1.00 54.21 H new ATOM 0 HD22 LEU A 81 2.067 2.481 -3.165 1.00 54.21 H new ATOM 0 HD23 LEU A 81 1.875 1.059 -4.217 1.00 54.21 H new ATOM 1291 N MET A 82 -1.326 1.775 -6.153 1.00 13.22 N ATOM 1292 CA MET A 82 -2.338 0.805 -5.755 1.00 73.53 C ATOM 1293 C MET A 82 -2.462 -0.269 -6.838 1.00 3.04 C ATOM 1294 O MET A 82 -2.423 -1.462 -6.537 1.00 54.51 O ATOM 1295 CB MET A 82 -3.720 1.443 -5.537 1.00 21.14 C ATOM 1296 CG MET A 82 -3.758 2.577 -4.512 1.00 44.05 C ATOM 1297 SD MET A 82 -3.278 2.123 -2.833 1.00 32.11 S ATOM 1298 CE MET A 82 -4.645 1.044 -2.341 1.00 63.14 C ATOM 0 H MET A 82 -1.671 2.732 -6.222 1.00 13.22 H new ATOM 0 HA MET A 82 -2.015 0.377 -4.806 1.00 73.53 H new ATOM 0 HB2 MET A 82 -4.081 1.825 -6.492 1.00 21.14 H new ATOM 0 HB3 MET A 82 -4.416 0.666 -5.221 1.00 21.14 H new ATOM 0 HG2 MET A 82 -3.101 3.376 -4.856 1.00 44.05 H new ATOM 0 HG3 MET A 82 -4.768 2.985 -4.485 1.00 44.05 H new ATOM 0 HE1 MET A 82 -4.399 0.550 -1.401 1.00 63.14 H new ATOM 0 HE2 MET A 82 -5.550 1.638 -2.213 1.00 63.14 H new ATOM 0 HE3 MET A 82 -4.811 0.292 -3.113 1.00 63.14 H new ATOM 1308 N HIS A 83 -2.558 0.159 -8.105 1.00 55.50 N ATOM 1309 CA HIS A 83 -2.749 -0.722 -9.249 1.00 23.33 C ATOM 1310 C HIS A 83 -1.680 -1.800 -9.294 1.00 2.22 C ATOM 1311 O HIS A 83 -2.016 -2.948 -9.538 1.00 30.12 O ATOM 1312 CB HIS A 83 -2.758 0.076 -10.558 1.00 22.21 C ATOM 1313 CG HIS A 83 -3.172 -0.702 -11.790 1.00 41.13 C ATOM 1314 ND1 HIS A 83 -2.836 -0.375 -13.086 1.00 65.52 N ATOM 1315 CD2 HIS A 83 -3.909 -1.857 -11.837 1.00 70.20 C ATOM 1316 CE1 HIS A 83 -3.359 -1.312 -13.896 1.00 32.01 C ATOM 1317 NE2 HIS A 83 -4.046 -2.224 -13.182 1.00 64.22 N ATOM 0 H HIS A 83 -2.503 1.145 -8.360 1.00 55.50 H new ATOM 0 HA HIS A 83 -3.718 -1.208 -9.134 1.00 23.33 H new ATOM 0 HB2 HIS A 83 -3.432 0.925 -10.442 1.00 22.21 H new ATOM 0 HB3 HIS A 83 -1.760 0.482 -10.723 1.00 22.21 H new ATOM 0 HD2 HIS A 83 -4.312 -2.389 -10.988 1.00 70.20 H new ATOM 0 HE1 HIS A 83 -3.244 -1.331 -14.970 1.00 32.01 H new ATOM 0 HE2 HIS A 83 -4.563 -3.023 -13.548 1.00 64.22 H new ATOM 1325 N PHE A 84 -0.421 -1.461 -9.011 1.00 44.55 N ATOM 1326 CA PHE A 84 0.682 -2.419 -8.995 1.00 4.04 C ATOM 1327 C PHE A 84 0.395 -3.647 -8.110 1.00 34.21 C ATOM 1328 O PHE A 84 0.800 -4.764 -8.455 1.00 40.12 O ATOM 1329 CB PHE A 84 1.956 -1.698 -8.551 1.00 2.01 C ATOM 1330 CG PHE A 84 3.185 -2.578 -8.448 1.00 65.40 C ATOM 1331 CD1 PHE A 84 3.370 -3.442 -7.349 1.00 15.01 C ATOM 1332 CD2 PHE A 84 4.167 -2.510 -9.449 1.00 55.44 C ATOM 1333 CE1 PHE A 84 4.513 -4.251 -7.272 1.00 1.34 C ATOM 1334 CE2 PHE A 84 5.334 -3.283 -9.345 1.00 60.15 C ATOM 1335 CZ PHE A 84 5.503 -4.161 -8.263 1.00 14.30 C ATOM 0 H PHE A 84 -0.138 -0.507 -8.785 1.00 44.55 H new ATOM 0 HA PHE A 84 0.810 -2.809 -10.005 1.00 4.04 H new ATOM 0 HB2 PHE A 84 2.163 -0.891 -9.254 1.00 2.01 H new ATOM 0 HB3 PHE A 84 1.775 -1.237 -7.580 1.00 2.01 H new ATOM 0 HD1 PHE A 84 2.629 -3.481 -6.564 1.00 15.01 H new ATOM 0 HD2 PHE A 84 4.024 -1.862 -10.301 1.00 55.44 H new ATOM 0 HE1 PHE A 84 4.631 -4.943 -6.451 1.00 1.34 H new ATOM 0 HE2 PHE A 84 6.103 -3.202 -10.099 1.00 60.15 H new ATOM 0 HZ PHE A 84 6.394 -4.767 -8.193 1.00 14.30 H new ATOM 1345 N ALA A 85 -0.293 -3.470 -6.974 1.00 54.24 N ATOM 1346 CA ALA A 85 -0.707 -4.588 -6.129 1.00 51.53 C ATOM 1347 C ALA A 85 -1.652 -5.488 -6.927 1.00 72.31 C ATOM 1348 O ALA A 85 -1.382 -6.677 -7.118 1.00 2.33 O ATOM 1349 CB ALA A 85 -1.379 -4.066 -4.853 1.00 62.53 C ATOM 0 H ALA A 85 -0.574 -2.555 -6.621 1.00 54.24 H new ATOM 0 HA ALA A 85 0.163 -5.171 -5.827 1.00 51.53 H new ATOM 0 HB1 ALA A 85 -1.683 -4.908 -4.231 1.00 62.53 H new ATOM 0 HB2 ALA A 85 -0.676 -3.442 -4.301 1.00 62.53 H new ATOM 0 HB3 ALA A 85 -2.256 -3.476 -5.119 1.00 62.53 H new ATOM 1355 N THR A 86 -2.740 -4.900 -7.418 1.00 31.21 N ATOM 1356 CA THR A 86 -3.785 -5.557 -8.183 1.00 63.42 C ATOM 1357 C THR A 86 -3.256 -6.105 -9.529 1.00 23.15 C ATOM 1358 O THR A 86 -3.848 -7.027 -10.084 1.00 23.12 O ATOM 1359 CB THR A 86 -4.948 -4.554 -8.362 1.00 74.31 C ATOM 1360 OG1 THR A 86 -5.059 -3.653 -7.263 1.00 50.11 O ATOM 1361 CG2 THR A 86 -6.286 -5.286 -8.446 1.00 40.02 C ATOM 0 H THR A 86 -2.921 -3.905 -7.284 1.00 31.21 H new ATOM 0 HA THR A 86 -4.148 -6.433 -7.645 1.00 63.42 H new ATOM 0 HB THR A 86 -4.726 -4.008 -9.279 1.00 74.31 H new ATOM 0 HG1 THR A 86 -5.805 -3.037 -7.419 1.00 50.11 H new ATOM 0 HG21 THR A 86 -7.090 -4.561 -8.572 1.00 40.02 H new ATOM 0 HG22 THR A 86 -6.275 -5.967 -9.297 1.00 40.02 H new ATOM 0 HG23 THR A 86 -6.449 -5.853 -7.529 1.00 40.02 H new ATOM 1369 N GLU A 87 -2.136 -5.595 -10.050 1.00 31.14 N ATOM 1370 CA GLU A 87 -1.412 -6.107 -11.192 1.00 34.42 C ATOM 1371 C GLU A 87 -0.735 -7.417 -10.795 1.00 12.21 C ATOM 1372 O GLU A 87 -1.032 -8.445 -11.416 1.00 1.21 O ATOM 1373 CB GLU A 87 -0.360 -5.088 -11.667 1.00 23.42 C ATOM 1374 CG GLU A 87 -0.873 -3.878 -12.461 1.00 4.14 C ATOM 1375 CD GLU A 87 -0.340 -3.833 -13.901 1.00 42.34 C ATOM 1376 OE1 GLU A 87 0.825 -3.414 -14.122 1.00 12.30 O ATOM 1377 OE2 GLU A 87 -1.113 -4.155 -14.832 1.00 1.44 O ATOM 0 H GLU A 87 -1.694 -4.765 -9.655 1.00 31.14 H new ATOM 0 HA GLU A 87 -2.106 -6.282 -12.014 1.00 34.42 H new ATOM 0 HB2 GLU A 87 0.173 -4.718 -10.791 1.00 23.42 H new ATOM 0 HB3 GLU A 87 0.368 -5.615 -12.284 1.00 23.42 H new ATOM 0 HG2 GLU A 87 -1.963 -3.901 -12.484 1.00 4.14 H new ATOM 0 HG3 GLU A 87 -0.584 -2.963 -11.944 1.00 4.14 H new ATOM 1384 N ASN A 88 0.178 -7.420 -9.798 1.00 61.24 N ATOM 1385 CA ASN A 88 1.068 -8.565 -9.634 1.00 54.12 C ATOM 1386 C ASN A 88 0.442 -9.583 -8.673 1.00 53.15 C ATOM 1387 O ASN A 88 1.014 -10.637 -8.414 1.00 23.04 O ATOM 1388 CB ASN A 88 2.471 -8.045 -9.303 1.00 11.30 C ATOM 1389 CG ASN A 88 3.150 -7.542 -10.572 1.00 12.05 C ATOM 1390 OD1 ASN A 88 3.980 -8.209 -11.178 1.00 11.55 O ATOM 1391 ND2 ASN A 88 2.792 -6.343 -11.009 1.00 73.50 N ATOM 0 H ASN A 88 0.308 -6.667 -9.123 1.00 61.24 H new ATOM 0 HA ASN A 88 1.197 -9.142 -10.550 1.00 54.12 H new ATOM 0 HB2 ASN A 88 2.407 -7.240 -8.571 1.00 11.30 H new ATOM 0 HB3 ASN A 88 3.066 -8.839 -8.852 1.00 11.30 H new ATOM 0 HD21 ASN A 88 3.209 -5.965 -11.860 1.00 73.50 H new ATOM 0 HD22 ASN A 88 2.100 -5.798 -10.495 1.00 73.50 H new ATOM 1398 N GLN A 89 -0.807 -9.308 -8.274 1.00 71.01 N ATOM 1399 CA GLN A 89 -1.770 -10.114 -7.537 1.00 33.23 C ATOM 1400 C GLN A 89 -1.443 -10.173 -6.050 1.00 54.25 C ATOM 1401 O GLN A 89 -1.791 -11.146 -5.381 1.00 31.34 O ATOM 1402 CB GLN A 89 -1.919 -11.516 -8.168 1.00 63.50 C ATOM 1403 CG GLN A 89 -2.287 -11.500 -9.657 1.00 51.23 C ATOM 1404 CD GLN A 89 -3.564 -10.712 -9.925 1.00 75.24 C ATOM 1405 OE1 GLN A 89 -4.584 -10.935 -9.281 1.00 43.45 O ATOM 1406 NE2 GLN A 89 -3.531 -9.764 -10.845 1.00 53.53 N ATOM 0 H GLN A 89 -1.209 -8.397 -8.492 1.00 71.01 H new ATOM 0 HA GLN A 89 -2.741 -9.625 -7.613 1.00 33.23 H new ATOM 0 HB2 GLN A 89 -0.983 -12.060 -8.043 1.00 63.50 H new ATOM 0 HB3 GLN A 89 -2.684 -12.068 -7.622 1.00 63.50 H new ATOM 0 HG2 GLN A 89 -1.467 -11.065 -10.228 1.00 51.23 H new ATOM 0 HG3 GLN A 89 -2.413 -12.524 -10.010 1.00 51.23 H new ATOM 0 HE21 GLN A 89 -2.674 -9.593 -11.371 1.00 53.53 H new ATOM 0 HE22 GLN A 89 -4.363 -9.203 -11.030 1.00 53.53 H new ATOM 1415 N LEU A 90 -0.743 -9.170 -5.520 1.00 20.54 N ATOM 1416 CA LEU A 90 -0.350 -9.130 -4.136 1.00 24.25 C ATOM 1417 C LEU A 90 -1.491 -8.711 -3.231 1.00 74.34 C ATOM 1418 O LEU A 90 -2.440 -8.054 -3.662 1.00 25.41 O ATOM 1419 CB LEU A 90 0.823 -8.175 -3.996 1.00 14.41 C ATOM 1420 CG LEU A 90 1.885 -8.375 -5.086 1.00 73.40 C ATOM 1421 CD1 LEU A 90 2.231 -9.819 -5.473 1.00 35.04 C ATOM 1422 CD2 LEU A 90 1.916 -7.269 -6.102 1.00 54.15 C ATOM 0 H LEU A 90 -0.436 -8.359 -6.057 1.00 20.54 H new ATOM 0 HA LEU A 90 -0.060 -10.133 -3.825 1.00 24.25 H new ATOM 0 HB2 LEU A 90 0.457 -7.149 -4.035 1.00 14.41 H new ATOM 0 HB3 LEU A 90 1.283 -8.312 -3.017 1.00 14.41 H new ATOM 0 HG LEU A 90 2.853 -8.213 -4.612 1.00 73.40 H new ATOM 0 HD11 LEU A 90 2.993 -9.814 -6.252 1.00 35.04 H new ATOM 0 HD12 LEU A 90 2.609 -10.349 -4.599 1.00 35.04 H new ATOM 0 HD13 LEU A 90 1.337 -10.321 -5.843 1.00 35.04 H new ATOM 0 HD21 LEU A 90 2.689 -7.476 -6.842 1.00 54.15 H new ATOM 0 HD22 LEU A 90 0.948 -7.204 -6.598 1.00 54.15 H new ATOM 0 HD23 LEU A 90 2.133 -6.324 -5.604 1.00 54.15 H new ATOM 1434 N ASN A 91 -1.369 -9.068 -1.958 1.00 13.42 N ATOM 1435 CA ASN A 91 -2.344 -8.705 -0.948 1.00 20.21 C ATOM 1436 C ASN A 91 -2.177 -7.229 -0.598 1.00 4.14 C ATOM 1437 O ASN A 91 -1.104 -6.829 -0.144 1.00 2.10 O ATOM 1438 CB ASN A 91 -2.178 -9.599 0.289 1.00 0.22 C ATOM 1439 CG ASN A 91 -3.511 -9.797 1.012 1.00 5.42 C ATOM 1440 OD1 ASN A 91 -4.487 -9.086 0.781 1.00 51.02 O ATOM 1441 ND2 ASN A 91 -3.588 -10.791 1.875 1.00 0.11 N ATOM 0 H ASN A 91 -0.588 -9.618 -1.601 1.00 13.42 H new ATOM 0 HA ASN A 91 -3.353 -8.857 -1.332 1.00 20.21 H new ATOM 0 HB2 ASN A 91 -1.776 -10.567 -0.010 1.00 0.22 H new ATOM 0 HB3 ASN A 91 -1.455 -9.151 0.970 1.00 0.22 H new ATOM 0 HD21 ASN A 91 -4.465 -10.978 2.361 1.00 0.11 H new ATOM 0 HD22 ASN A 91 -2.770 -11.373 2.057 1.00 0.11 H new ATOM 1448 N ILE A 92 -3.204 -6.414 -0.819 1.00 60.11 N ATOM 1449 CA ILE A 92 -3.304 -5.084 -0.239 1.00 34.22 C ATOM 1450 C ILE A 92 -3.706 -5.322 1.208 1.00 63.22 C ATOM 1451 O ILE A 92 -4.797 -5.843 1.463 1.00 73.22 O ATOM 1452 CB ILE A 92 -4.386 -4.236 -0.958 1.00 63.51 C ATOM 1453 CG1 ILE A 92 -4.040 -4.106 -2.457 1.00 34.21 C ATOM 1454 CG2 ILE A 92 -4.592 -2.846 -0.306 1.00 54.55 C ATOM 1455 CD1 ILE A 92 -5.055 -3.271 -3.243 1.00 64.11 C ATOM 0 H ILE A 92 -3.996 -6.663 -1.411 1.00 60.11 H new ATOM 0 HA ILE A 92 -2.368 -4.534 -0.333 1.00 34.22 H new ATOM 0 HB ILE A 92 -5.336 -4.760 -0.854 1.00 63.51 H new ATOM 0 HG12 ILE A 92 -3.053 -3.654 -2.557 1.00 34.21 H new ATOM 0 HG13 ILE A 92 -3.981 -5.102 -2.897 1.00 34.21 H new ATOM 0 HG21 ILE A 92 -5.360 -2.298 -0.852 1.00 54.55 H new ATOM 0 HG22 ILE A 92 -4.904 -2.973 0.731 1.00 54.55 H new ATOM 0 HG23 ILE A 92 -3.657 -2.287 -0.338 1.00 54.55 H new ATOM 0 HD11 ILE A 92 -4.752 -3.220 -4.289 1.00 64.11 H new ATOM 0 HD12 ILE A 92 -6.039 -3.734 -3.173 1.00 64.11 H new ATOM 0 HD13 ILE A 92 -5.097 -2.264 -2.828 1.00 64.11 H new ATOM 1467 N LEU A 93 -2.841 -4.949 2.145 1.00 42.03 N ATOM 1468 CA LEU A 93 -3.195 -4.870 3.535 1.00 0.05 C ATOM 1469 C LEU A 93 -3.403 -3.422 3.931 1.00 50.34 C ATOM 1470 O LEU A 93 -2.986 -2.475 3.252 1.00 24.23 O ATOM 1471 CB LEU A 93 -2.116 -5.500 4.414 1.00 0.33 C ATOM 1472 CG LEU A 93 -1.792 -6.951 4.069 1.00 21.24 C ATOM 1473 CD1 LEU A 93 -0.737 -7.536 5.005 1.00 22.43 C ATOM 1474 CD2 LEU A 93 -3.001 -7.881 3.979 1.00 75.33 C ATOM 0 H LEU A 93 -1.873 -4.694 1.948 1.00 42.03 H new ATOM 0 HA LEU A 93 -4.122 -5.425 3.684 1.00 0.05 H new ATOM 0 HB2 LEU A 93 -1.205 -4.907 4.332 1.00 0.33 H new ATOM 0 HB3 LEU A 93 -2.436 -5.449 5.455 1.00 0.33 H new ATOM 0 HG LEU A 93 -1.387 -6.898 3.058 1.00 21.24 H new ATOM 0 HD11 LEU A 93 -0.535 -8.570 4.725 1.00 22.43 H new ATOM 0 HD12 LEU A 93 0.181 -6.954 4.928 1.00 22.43 H new ATOM 0 HD13 LEU A 93 -1.103 -7.503 6.031 1.00 22.43 H new ATOM 0 HD21 LEU A 93 -2.667 -8.888 3.729 1.00 75.33 H new ATOM 0 HD22 LEU A 93 -3.519 -7.898 4.938 1.00 75.33 H new ATOM 0 HD23 LEU A 93 -3.680 -7.522 3.206 1.00 75.33 H new ATOM 1486 N ASP A 94 -4.050 -3.313 5.072 1.00 20.34 N ATOM 1487 CA ASP A 94 -4.302 -2.100 5.834 1.00 35.41 C ATOM 1488 C ASP A 94 -3.224 -1.975 6.910 1.00 12.34 C ATOM 1489 O ASP A 94 -2.287 -2.774 6.983 1.00 44.03 O ATOM 1490 CB ASP A 94 -5.707 -2.152 6.472 1.00 50.43 C ATOM 1491 CG ASP A 94 -6.608 -0.961 6.154 1.00 44.21 C ATOM 1492 OD1 ASP A 94 -6.085 0.119 5.809 1.00 23.04 O ATOM 1493 OD2 ASP A 94 -7.841 -1.112 6.272 1.00 4.04 O ATOM 0 H ASP A 94 -4.446 -4.134 5.530 1.00 20.34 H new ATOM 0 HA ASP A 94 -4.267 -1.231 5.177 1.00 35.41 H new ATOM 0 HB2 ASP A 94 -6.206 -3.063 6.141 1.00 50.43 H new ATOM 0 HB3 ASP A 94 -5.595 -2.224 7.554 1.00 50.43 H new ATOM 1498 N ALA A 95 -3.381 -0.987 7.785 1.00 13.35 N ATOM 1499 CA ALA A 95 -2.345 -0.565 8.731 1.00 41.32 C ATOM 1500 C ALA A 95 -1.874 -1.706 9.639 1.00 53.45 C ATOM 1501 O ALA A 95 -0.673 -1.843 9.894 1.00 51.54 O ATOM 1502 CB ALA A 95 -2.844 0.592 9.600 1.00 12.33 C ATOM 0 H ALA A 95 -4.243 -0.447 7.861 1.00 13.35 H new ATOM 0 HA ALA A 95 -1.496 -0.241 8.129 1.00 41.32 H new ATOM 0 HB1 ALA A 95 -2.059 0.890 10.295 1.00 12.33 H new ATOM 0 HB2 ALA A 95 -3.106 1.438 8.964 1.00 12.33 H new ATOM 0 HB3 ALA A 95 -3.723 0.273 10.160 1.00 12.33 H new ATOM 1508 N GLU A 96 -2.815 -2.494 10.164 1.00 71.31 N ATOM 1509 CA GLU A 96 -2.524 -3.598 11.077 1.00 51.31 C ATOM 1510 C GLU A 96 -2.107 -4.865 10.329 1.00 72.42 C ATOM 1511 O GLU A 96 -1.468 -5.737 10.918 1.00 41.43 O ATOM 1512 CB GLU A 96 -3.732 -3.886 11.977 1.00 40.32 C ATOM 1513 CG GLU A 96 -3.821 -2.844 13.099 1.00 12.44 C ATOM 1514 CD GLU A 96 -4.914 -3.137 14.130 1.00 64.01 C ATOM 1515 OE1 GLU A 96 -5.222 -4.320 14.413 1.00 22.21 O ATOM 1516 OE2 GLU A 96 -5.476 -2.157 14.670 1.00 1.40 O ATOM 0 H GLU A 96 -3.809 -2.381 9.965 1.00 71.31 H new ATOM 0 HA GLU A 96 -1.683 -3.290 11.698 1.00 51.31 H new ATOM 0 HB2 GLU A 96 -4.647 -3.871 11.385 1.00 40.32 H new ATOM 0 HB3 GLU A 96 -3.645 -4.885 12.405 1.00 40.32 H new ATOM 0 HG2 GLU A 96 -2.859 -2.790 13.609 1.00 12.44 H new ATOM 0 HG3 GLU A 96 -4.004 -1.864 12.658 1.00 12.44 H new ATOM 1523 N GLY A 97 -2.360 -4.940 9.022 1.00 64.14 N ATOM 1524 CA GLY A 97 -2.081 -6.106 8.195 1.00 41.50 C ATOM 1525 C GLY A 97 -3.334 -6.913 7.859 1.00 51.42 C ATOM 1526 O GLY A 97 -3.237 -8.035 7.356 1.00 75.43 O ATOM 0 H GLY A 97 -2.776 -4.169 8.499 1.00 64.14 H new ATOM 0 HA2 GLY A 97 -1.605 -5.783 7.269 1.00 41.50 H new ATOM 0 HA3 GLY A 97 -1.369 -6.749 8.712 1.00 41.50 H new ATOM 1530 N ASN A 98 -4.517 -6.380 8.166 1.00 31.35 N ATOM 1531 CA ASN A 98 -5.786 -6.955 7.734 1.00 14.20 C ATOM 1532 C ASN A 98 -5.936 -6.666 6.242 1.00 51.01 C ATOM 1533 O ASN A 98 -5.561 -5.582 5.799 1.00 23.33 O ATOM 1534 CB ASN A 98 -6.942 -6.349 8.542 1.00 4.25 C ATOM 1535 CG ASN A 98 -6.768 -6.606 10.035 1.00 1.21 C ATOM 1536 OD1 ASN A 98 -6.550 -7.744 10.436 1.00 3.21 O ATOM 1537 ND2 ASN A 98 -6.832 -5.600 10.891 1.00 24.43 N ATOM 0 H ASN A 98 -4.620 -5.533 8.724 1.00 31.35 H new ATOM 0 HA ASN A 98 -5.807 -8.031 7.904 1.00 14.20 H new ATOM 0 HB2 ASN A 98 -6.993 -5.276 8.359 1.00 4.25 H new ATOM 0 HB3 ASN A 98 -7.887 -6.775 8.205 1.00 4.25 H new ATOM 0 HD21 ASN A 98 -6.700 -5.770 11.888 1.00 24.43 H new ATOM 0 HD22 ASN A 98 -7.013 -4.654 10.554 1.00 24.43 H new ATOM 1544 N SER A 99 -6.437 -7.612 5.453 1.00 74.50 N ATOM 1545 CA SER A 99 -6.532 -7.456 4.005 1.00 50.10 C ATOM 1546 C SER A 99 -7.697 -6.548 3.616 1.00 71.15 C ATOM 1547 O SER A 99 -8.753 -6.551 4.254 1.00 23.30 O ATOM 1548 CB SER A 99 -6.560 -8.821 3.300 1.00 34.14 C ATOM 1549 OG SER A 99 -7.337 -9.804 3.971 1.00 73.44 O ATOM 0 H SER A 99 -6.788 -8.506 5.798 1.00 74.50 H new ATOM 0 HA SER A 99 -5.631 -6.952 3.654 1.00 50.10 H new ATOM 0 HB2 SER A 99 -6.952 -8.689 2.292 1.00 34.14 H new ATOM 0 HB3 SER A 99 -5.538 -9.187 3.199 1.00 34.14 H new ATOM 0 HG SER A 99 -7.310 -10.643 3.466 1.00 73.44 H new ATOM 1555 N ILE A 100 -7.509 -5.794 2.535 1.00 62.41 N ATOM 1556 CA ILE A 100 -8.458 -4.847 1.966 1.00 13.30 C ATOM 1557 C ILE A 100 -8.310 -4.844 0.431 1.00 51.11 C ATOM 1558 O ILE A 100 -7.667 -5.727 -0.152 1.00 31.14 O ATOM 1559 CB ILE A 100 -8.292 -3.446 2.624 1.00 42.21 C ATOM 1560 CG1 ILE A 100 -6.829 -3.000 2.842 1.00 21.05 C ATOM 1561 CG2 ILE A 100 -9.053 -3.378 3.957 1.00 74.12 C ATOM 1562 CD1 ILE A 100 -6.652 -1.487 2.688 1.00 23.22 C ATOM 0 H ILE A 100 -6.639 -5.832 2.004 1.00 62.41 H new ATOM 0 HA ILE A 100 -9.482 -5.149 2.184 1.00 13.30 H new ATOM 0 HB ILE A 100 -8.717 -2.748 1.903 1.00 42.21 H new ATOM 0 HG12 ILE A 100 -6.504 -3.302 3.838 1.00 21.05 H new ATOM 0 HG13 ILE A 100 -6.185 -3.513 2.128 1.00 21.05 H new ATOM 0 HG21 ILE A 100 -8.924 -2.390 4.400 1.00 74.12 H new ATOM 0 HG22 ILE A 100 -10.113 -3.560 3.781 1.00 74.12 H new ATOM 0 HG23 ILE A 100 -8.663 -4.135 4.638 1.00 74.12 H new ATOM 0 HD11 ILE A 100 -5.607 -1.225 2.851 1.00 23.22 H new ATOM 0 HD12 ILE A 100 -6.950 -1.186 1.683 1.00 23.22 H new ATOM 0 HD13 ILE A 100 -7.274 -0.972 3.420 1.00 23.22 H new ATOM 1574 N ASP A 101 -8.971 -3.895 -0.231 1.00 42.24 N ATOM 1575 CA ASP A 101 -8.956 -3.607 -1.668 1.00 33.21 C ATOM 1576 C ASP A 101 -8.533 -2.151 -1.813 1.00 64.30 C ATOM 1577 O ASP A 101 -8.522 -1.408 -0.836 1.00 42.42 O ATOM 1578 CB ASP A 101 -10.364 -3.746 -2.276 1.00 45.03 C ATOM 1579 CG ASP A 101 -10.557 -5.020 -3.099 1.00 20.53 C ATOM 1580 OD1 ASP A 101 -10.788 -6.088 -2.495 1.00 64.03 O ATOM 1581 OD2 ASP A 101 -10.492 -4.973 -4.352 1.00 21.53 O ATOM 0 H ASP A 101 -9.585 -3.251 0.267 1.00 42.24 H new ATOM 0 HA ASP A 101 -8.286 -4.300 -2.176 1.00 33.21 H new ATOM 0 HB2 ASP A 101 -11.100 -3.729 -1.472 1.00 45.03 H new ATOM 0 HB3 ASP A 101 -10.563 -2.882 -2.909 1.00 45.03 H new ATOM 1586 N ALA A 102 -8.268 -1.695 -3.032 1.00 72.43 N ATOM 1587 CA ALA A 102 -7.850 -0.320 -3.269 1.00 60.25 C ATOM 1588 C ALA A 102 -9.004 0.665 -3.070 1.00 21.34 C ATOM 1589 O ALA A 102 -8.765 1.785 -2.630 1.00 73.15 O ATOM 1590 CB ALA A 102 -7.247 -0.180 -4.667 1.00 60.04 C ATOM 0 H ALA A 102 -8.336 -2.263 -3.876 1.00 72.43 H new ATOM 0 HA ALA A 102 -7.085 -0.073 -2.533 1.00 60.25 H new ATOM 0 HB1 ALA A 102 -6.940 0.853 -4.829 1.00 60.04 H new ATOM 0 HB2 ALA A 102 -6.380 -0.835 -4.757 1.00 60.04 H new ATOM 0 HB3 ALA A 102 -7.991 -0.458 -5.414 1.00 60.04 H new ATOM 1596 N ALA A 103 -10.254 0.259 -3.342 1.00 24.12 N ATOM 1597 CA ALA A 103 -11.431 1.098 -3.098 1.00 20.04 C ATOM 1598 C ALA A 103 -11.507 1.530 -1.638 1.00 31.11 C ATOM 1599 O ALA A 103 -11.917 2.648 -1.349 1.00 25.24 O ATOM 1600 CB ALA A 103 -12.719 0.348 -3.442 1.00 10.53 C ATOM 0 H ALA A 103 -10.474 -0.656 -3.735 1.00 24.12 H new ATOM 0 HA ALA A 103 -11.331 1.976 -3.736 1.00 20.04 H new ATOM 0 HB1 ALA A 103 -13.577 0.993 -3.252 1.00 10.53 H new ATOM 0 HB2 ALA A 103 -12.705 0.064 -4.494 1.00 10.53 H new ATOM 0 HB3 ALA A 103 -12.794 -0.548 -2.825 1.00 10.53 H new ATOM 1606 N GLN A 104 -11.055 0.658 -0.736 1.00 20.24 N ATOM 1607 CA GLN A 104 -11.019 0.867 0.702 1.00 24.34 C ATOM 1608 C GLN A 104 -9.972 1.932 1.098 1.00 44.23 C ATOM 1609 O GLN A 104 -9.685 2.087 2.284 1.00 44.23 O ATOM 1610 CB GLN A 104 -10.724 -0.479 1.395 1.00 23.30 C ATOM 1611 CG GLN A 104 -11.553 -1.702 0.959 1.00 75.02 C ATOM 1612 CD GLN A 104 -13.004 -1.679 1.431 1.00 55.30 C ATOM 1613 OE1 GLN A 104 -13.807 -0.859 0.997 1.00 55.24 O ATOM 1614 NE2 GLN A 104 -13.398 -2.662 2.226 1.00 1.44 N ATOM 0 H GLN A 104 -10.688 -0.254 -1.007 1.00 20.24 H new ATOM 0 HA GLN A 104 -11.989 1.243 1.028 1.00 24.34 H new ATOM 0 HB2 GLN A 104 -9.671 -0.714 1.239 1.00 23.30 H new ATOM 0 HB3 GLN A 104 -10.864 -0.343 2.467 1.00 23.30 H new ATOM 0 HG2 GLN A 104 -11.538 -1.767 -0.129 1.00 75.02 H new ATOM 0 HG3 GLN A 104 -11.074 -2.605 1.339 1.00 75.02 H new ATOM 0 HE21 GLN A 104 -12.719 -3.336 2.579 1.00 1.44 H new ATOM 0 HE22 GLN A 104 -14.381 -2.745 2.486 1.00 1.44 H new ATOM 1623 N VAL A 105 -9.345 2.618 0.129 1.00 13.33 N ATOM 1624 CA VAL A 105 -8.265 3.575 0.362 1.00 11.51 C ATOM 1625 C VAL A 105 -8.423 4.862 -0.470 1.00 24.35 C ATOM 1626 O VAL A 105 -7.858 5.909 -0.147 1.00 13.40 O ATOM 1627 CB VAL A 105 -6.944 2.873 0.000 1.00 1.10 C ATOM 1628 CG1 VAL A 105 -5.732 3.673 0.467 1.00 60.04 C ATOM 1629 CG2 VAL A 105 -6.812 1.441 0.547 1.00 23.24 C ATOM 0 H VAL A 105 -9.584 2.517 -0.857 1.00 13.33 H new ATOM 0 HA VAL A 105 -8.284 3.883 1.407 1.00 11.51 H new ATOM 0 HB VAL A 105 -6.971 2.813 -1.088 1.00 1.10 H new ATOM 0 HG11 VAL A 105 -4.819 3.144 0.193 1.00 60.04 H new ATOM 0 HG12 VAL A 105 -5.739 4.654 -0.007 1.00 60.04 H new ATOM 0 HG13 VAL A 105 -5.770 3.793 1.550 1.00 60.04 H new ATOM 0 HG21 VAL A 105 -5.852 1.023 0.244 1.00 23.24 H new ATOM 0 HG22 VAL A 105 -6.873 1.460 1.635 1.00 23.24 H new ATOM 0 HG23 VAL A 105 -7.618 0.824 0.149 1.00 23.24 H new ATOM 1639 N THR A 106 -9.189 4.829 -1.555 1.00 22.11 N ATOM 1640 CA THR A 106 -9.223 5.860 -2.579 1.00 15.13 C ATOM 1641 C THR A 106 -10.396 6.783 -2.298 1.00 13.34 C ATOM 1642 O THR A 106 -11.301 7.002 -3.105 1.00 53.35 O ATOM 1643 CB THR A 106 -9.161 5.252 -3.983 1.00 32.21 C ATOM 1644 OG1 THR A 106 -10.146 4.260 -4.207 1.00 15.24 O ATOM 1645 CG2 THR A 106 -7.773 4.657 -4.204 1.00 2.43 C ATOM 0 H THR A 106 -9.825 4.055 -1.750 1.00 22.11 H new ATOM 0 HA THR A 106 -8.332 6.487 -2.545 1.00 15.13 H new ATOM 0 HB THR A 106 -9.361 6.054 -4.693 1.00 32.21 H new ATOM 0 HG1 THR A 106 -10.057 3.911 -5.118 1.00 15.24 H new ATOM 0 HG21 THR A 106 -7.719 4.221 -5.202 1.00 2.43 H new ATOM 0 HG22 THR A 106 -7.022 5.441 -4.109 1.00 2.43 H new ATOM 0 HG23 THR A 106 -7.586 3.883 -3.459 1.00 2.43 H new