USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 721 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 65 HIS : no HE2:sc= -1.51! C(o=-1.9!,f=-4.9!) USER MOD Set 1.2: A 77 MET CE :methyl -149:sc= -0.375 (180deg=-1.65!) USER MOD Set 2.1: A 61 THR OG1 : rot -77:sc= 0.1 USER MOD Set 2.2: A 62 SER OG : rot -29:sc= -0.272! USER MOD Set 3.1: A 33 CYS SG : rot 180:sc= 0.00645 USER MOD Set 3.2: A 79 CYS SG : rot 100:sc= -3.11! USER MOD Single : A 14 SER OG : rot -58:sc= -0.792 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 37 LYS NZ :NH3+ -164:sc=-0.00573 (180deg=-0.102) USER MOD Single : A 39 GLN : amide:sc= -4.14! C(o=-4.1!,f=-12!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.8!) USER MOD Single : A 53 GLN : amide:sc=-0.00596 X(o=-0.006,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 CYS SG : rot 117:sc= -0.52 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 9 -2.482 8.231 17.371 1.00 0.00 N ATOM 88 CA PRO A 9 -2.753 7.685 16.053 1.00 0.00 C ATOM 89 C PRO A 9 -3.027 8.802 15.043 1.00 0.00 C ATOM 90 O PRO A 9 -3.844 9.686 15.297 1.00 0.00 O ATOM 91 CB PRO A 9 -3.939 6.756 16.248 1.00 0.00 C ATOM 92 CG PRO A 9 -4.579 7.168 17.564 1.00 0.00 C ATOM 93 CD PRO A 9 -3.599 8.068 18.297 1.00 0.00 C ATOM 0 HA PRO A 9 -1.903 7.142 15.640 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.647 6.848 15.424 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.619 5.715 16.279 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.518 7.692 17.384 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.814 6.290 18.165 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.052 9.028 18.544 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.273 7.618 19.235 1.00 0.00 H new ATOM 101 N ILE A 10 -2.330 8.725 13.919 1.00 0.00 N ATOM 102 CA ILE A 10 -2.488 9.718 12.870 1.00 0.00 C ATOM 103 C ILE A 10 -3.831 9.503 12.169 1.00 0.00 C ATOM 104 O ILE A 10 -4.536 10.463 11.862 1.00 0.00 O ATOM 105 CB ILE A 10 -1.288 9.691 11.922 1.00 0.00 C ATOM 106 CG1 ILE A 10 0.016 9.951 12.680 1.00 0.00 C ATOM 107 CG2 ILE A 10 -1.483 10.672 10.763 1.00 0.00 C ATOM 108 CD1 ILE A 10 1.145 9.069 12.146 1.00 0.00 C ATOM 0 H ILE A 10 -1.654 7.990 13.712 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.507 10.722 13.295 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.216 8.693 11.491 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.293 11.001 12.584 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.131 9.756 13.742 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.616 10.633 10.104 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.377 10.400 10.203 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.595 11.682 11.156 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.060 9.273 12.702 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.875 8.020 12.265 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.306 9.284 11.090 1.00 0.00 H new ATOM 120 N GLY A 11 -4.145 8.237 11.937 1.00 0.00 N ATOM 121 CA GLY A 11 -5.391 7.884 11.278 1.00 0.00 C ATOM 122 C GLY A 11 -5.515 6.367 11.117 1.00 0.00 C ATOM 123 O GLY A 11 -4.537 5.690 10.805 1.00 0.00 O ATOM 0 H GLY A 11 -3.558 7.443 12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.233 8.262 11.858 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.437 8.362 10.300 1.00 0.00 H new ATOM 127 N GLU A 12 -6.727 5.878 11.337 1.00 0.00 N ATOM 128 CA GLU A 12 -6.992 4.454 11.220 1.00 0.00 C ATOM 129 C GLU A 12 -7.659 4.147 9.878 1.00 0.00 C ATOM 130 O GLU A 12 -8.647 4.782 9.512 1.00 0.00 O ATOM 131 CB GLU A 12 -7.851 3.959 12.385 1.00 0.00 C ATOM 132 CG GLU A 12 -8.191 2.476 12.224 1.00 0.00 C ATOM 133 CD GLU A 12 -9.705 2.256 12.238 1.00 0.00 C ATOM 134 OE1 GLU A 12 -10.323 2.624 13.260 1.00 0.00 O ATOM 135 OE2 GLU A 12 -10.210 1.726 11.225 1.00 0.00 O ATOM 0 H GLU A 12 -7.536 6.443 11.596 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.041 3.923 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.320 4.114 13.324 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.770 4.543 12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.774 2.103 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.729 1.904 13.029 1.00 0.00 H new ATOM 142 N ALA A 13 -7.092 3.173 9.181 1.00 0.00 N ATOM 143 CA ALA A 13 -7.620 2.774 7.887 1.00 0.00 C ATOM 144 C ALA A 13 -8.199 1.362 7.991 1.00 0.00 C ATOM 145 O ALA A 13 -7.702 0.538 8.757 1.00 0.00 O ATOM 146 CB ALA A 13 -6.516 2.875 6.832 1.00 0.00 C ATOM 0 H ALA A 13 -6.273 2.649 9.488 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.427 3.440 7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.912 2.576 5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.158 3.903 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.690 2.218 7.105 1.00 0.00 H new ATOM 152 N SER A 14 -9.243 1.126 7.210 1.00 0.00 N ATOM 153 CA SER A 14 -9.895 -0.172 7.204 1.00 0.00 C ATOM 154 C SER A 14 -9.718 -0.842 5.840 1.00 0.00 C ATOM 155 O SER A 14 -9.882 -0.200 4.804 1.00 0.00 O ATOM 156 CB SER A 14 -11.382 -0.043 7.543 1.00 0.00 C ATOM 157 OG SER A 14 -11.647 1.097 8.355 1.00 0.00 O ATOM 0 H SER A 14 -9.653 1.812 6.577 1.00 0.00 H new ATOM 0 HA SER A 14 -9.428 -0.792 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.959 0.026 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.715 -0.942 8.061 1.00 0.00 H new ATOM 0 HG SER A 14 -11.118 1.043 9.178 1.00 0.00 H new ATOM 163 N ILE A 15 -9.385 -2.123 5.884 1.00 0.00 N ATOM 164 CA ILE A 15 -9.184 -2.887 4.664 1.00 0.00 C ATOM 165 C ILE A 15 -10.543 -3.308 4.101 1.00 0.00 C ATOM 166 O ILE A 15 -11.304 -4.010 4.766 1.00 0.00 O ATOM 167 CB ILE A 15 -8.233 -4.058 4.916 1.00 0.00 C ATOM 168 CG1 ILE A 15 -6.784 -3.576 5.016 1.00 0.00 C ATOM 169 CG2 ILE A 15 -8.404 -5.142 3.850 1.00 0.00 C ATOM 170 CD1 ILE A 15 -5.857 -4.714 5.449 1.00 0.00 C ATOM 0 H ILE A 15 -9.249 -2.652 6.746 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.701 -2.272 3.905 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.490 -4.506 5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.460 -3.185 4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.718 -2.756 5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.716 -5.963 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.429 -5.513 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.189 -4.723 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.833 -4.345 5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.170 -5.087 6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.907 -5.522 4.719 1.00 0.00 H new ATOM 182 N LEU A 16 -10.807 -2.861 2.882 1.00 0.00 N ATOM 183 CA LEU A 16 -12.061 -3.183 2.222 1.00 0.00 C ATOM 184 C LEU A 16 -11.873 -4.436 1.364 1.00 0.00 C ATOM 185 O LEU A 16 -12.761 -5.285 1.296 1.00 0.00 O ATOM 186 CB LEU A 16 -12.581 -1.975 1.441 1.00 0.00 C ATOM 187 CG LEU A 16 -12.639 -0.654 2.211 1.00 0.00 C ATOM 188 CD1 LEU A 16 -12.978 0.510 1.277 1.00 0.00 C ATOM 189 CD2 LEU A 16 -13.613 -0.747 3.387 1.00 0.00 C ATOM 0 H LEU A 16 -10.174 -2.278 2.334 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.831 -3.413 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.949 -1.834 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.583 -2.206 1.078 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.651 -0.457 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.013 1.437 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.215 0.590 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.948 0.333 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.635 0.205 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.611 -0.979 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.288 -1.534 4.068 1.00 0.00 H new ATOM 201 N ALA A 17 -10.713 -4.511 0.729 1.00 0.00 N ATOM 202 CA ALA A 17 -10.397 -5.646 -0.122 1.00 0.00 C ATOM 203 C ALA A 17 -8.908 -5.975 0.004 1.00 0.00 C ATOM 204 O ALA A 17 -8.104 -5.108 0.345 1.00 0.00 O ATOM 205 CB ALA A 17 -10.805 -5.332 -1.563 1.00 0.00 C ATOM 0 H ALA A 17 -9.980 -3.804 0.787 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.956 -6.528 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.568 -6.183 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.876 -5.135 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.261 -4.454 -1.912 1.00 0.00 H new ATOM 211 N THR A 18 -8.586 -7.229 -0.278 1.00 0.00 N ATOM 212 CA THR A 18 -7.208 -7.682 -0.200 1.00 0.00 C ATOM 213 C THR A 18 -6.860 -8.541 -1.418 1.00 0.00 C ATOM 214 O THR A 18 -7.640 -9.405 -1.816 1.00 0.00 O ATOM 215 CB THR A 18 -7.025 -8.413 1.131 1.00 0.00 C ATOM 216 OG1 THR A 18 -7.779 -9.612 0.976 1.00 0.00 O ATOM 217 CG2 THR A 18 -7.709 -7.692 2.294 1.00 0.00 C ATOM 0 H THR A 18 -9.255 -7.945 -0.561 1.00 0.00 H new ATOM 0 HA THR A 18 -6.513 -6.842 -0.224 1.00 0.00 H new ATOM 0 HB THR A 18 -5.961 -8.518 1.343 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.714 -10.148 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.548 -8.253 3.215 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.288 -6.692 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.778 -7.617 2.097 1.00 0.00 H new ATOM 225 N PHE A 19 -5.688 -8.274 -1.974 1.00 0.00 N ATOM 226 CA PHE A 19 -5.227 -9.012 -3.138 1.00 0.00 C ATOM 227 C PHE A 19 -3.699 -9.000 -3.225 1.00 0.00 C ATOM 228 O PHE A 19 -3.028 -8.462 -2.347 1.00 0.00 O ATOM 229 CB PHE A 19 -5.801 -8.308 -4.370 1.00 0.00 C ATOM 230 CG PHE A 19 -5.383 -6.842 -4.500 1.00 0.00 C ATOM 231 CD1 PHE A 19 -4.106 -6.527 -4.843 1.00 0.00 C ATOM 232 CD2 PHE A 19 -6.290 -5.854 -4.273 1.00 0.00 C ATOM 233 CE1 PHE A 19 -3.718 -5.166 -4.964 1.00 0.00 C ATOM 234 CE2 PHE A 19 -5.902 -4.493 -4.394 1.00 0.00 C ATOM 235 CZ PHE A 19 -4.625 -4.178 -4.737 1.00 0.00 C ATOM 0 H PHE A 19 -5.044 -7.557 -1.640 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.553 -10.050 -3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.485 -8.846 -5.264 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.889 -8.363 -4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.386 -7.312 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.305 -6.104 -4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.703 -4.916 -5.236 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.622 -3.708 -4.213 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.330 -3.143 -4.829 1.00 0.00 H new ATOM 245 N THR A 20 -3.195 -9.602 -4.293 1.00 0.00 N ATOM 246 CA THR A 20 -1.759 -9.668 -4.505 1.00 0.00 C ATOM 247 C THR A 20 -1.393 -9.066 -5.864 1.00 0.00 C ATOM 248 O THR A 20 -2.253 -8.909 -6.729 1.00 0.00 O ATOM 249 CB THR A 20 -1.324 -11.126 -4.351 1.00 0.00 C ATOM 250 OG1 THR A 20 -2.085 -11.599 -3.242 1.00 0.00 O ATOM 251 CG2 THR A 20 0.128 -11.259 -3.889 1.00 0.00 C ATOM 0 H THR A 20 -3.755 -10.048 -5.020 1.00 0.00 H new ATOM 0 HA THR A 20 -1.223 -9.074 -3.765 1.00 0.00 H new ATOM 0 HB THR A 20 -1.451 -11.645 -5.301 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.866 -12.539 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.385 -12.314 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.787 -10.788 -4.619 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.249 -10.770 -2.923 1.00 0.00 H new ATOM 259 N VAL A 21 -0.116 -8.744 -6.008 1.00 0.00 N ATOM 260 CA VAL A 21 0.375 -8.163 -7.246 1.00 0.00 C ATOM 261 C VAL A 21 1.641 -8.901 -7.685 1.00 0.00 C ATOM 262 O VAL A 21 2.330 -9.503 -6.862 1.00 0.00 O ATOM 263 CB VAL A 21 0.591 -6.659 -7.068 1.00 0.00 C ATOM 264 CG1 VAL A 21 -0.744 -5.913 -7.029 1.00 0.00 C ATOM 265 CG2 VAL A 21 1.418 -6.368 -5.813 1.00 0.00 C ATOM 0 H VAL A 21 0.594 -8.875 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.361 -8.281 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 21 1.151 -6.298 -7.930 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.561 -4.846 -6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.282 -6.080 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.342 -6.281 -6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.557 -5.292 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.896 -6.752 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.391 -6.853 -5.898 1.00 0.00 H new ATOM 275 N THR A 22 1.909 -8.832 -8.980 1.00 0.00 N ATOM 276 CA THR A 22 3.080 -9.486 -9.538 1.00 0.00 C ATOM 277 C THR A 22 4.101 -8.446 -10.004 1.00 0.00 C ATOM 278 O THR A 22 3.750 -7.493 -10.698 1.00 0.00 O ATOM 279 CB THR A 22 2.612 -10.420 -10.656 1.00 0.00 C ATOM 280 OG1 THR A 22 1.503 -11.112 -10.089 1.00 0.00 O ATOM 281 CG2 THR A 22 3.626 -11.525 -10.959 1.00 0.00 C ATOM 0 H THR A 22 1.335 -8.333 -9.660 1.00 0.00 H new ATOM 0 HA THR A 22 3.593 -10.086 -8.786 1.00 0.00 H new ATOM 0 HB THR A 22 2.427 -9.840 -11.560 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.137 -11.738 -10.748 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.245 -12.159 -11.759 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.570 -11.077 -11.269 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.786 -12.127 -10.064 1.00 0.00 H new ATOM 289 N GLU A 23 5.345 -8.664 -9.602 1.00 0.00 N ATOM 290 CA GLU A 23 6.419 -7.758 -9.969 1.00 0.00 C ATOM 291 C GLU A 23 7.708 -8.540 -10.230 1.00 0.00 C ATOM 292 O GLU A 23 8.424 -8.894 -9.294 1.00 0.00 O ATOM 293 CB GLU A 23 6.633 -6.695 -8.890 1.00 0.00 C ATOM 294 CG GLU A 23 5.416 -5.773 -8.780 1.00 0.00 C ATOM 295 CD GLU A 23 5.521 -4.607 -9.766 1.00 0.00 C ATOM 296 OE1 GLU A 23 5.831 -4.887 -10.944 1.00 0.00 O ATOM 297 OE2 GLU A 23 5.288 -3.464 -9.319 1.00 0.00 O ATOM 0 H GLU A 23 5.632 -9.455 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 23 6.136 -7.245 -10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.816 -7.178 -7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.520 -6.106 -9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.506 -6.340 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.337 -5.388 -7.763 1.00 0.00 H new ATOM 304 N GLY A 24 7.964 -8.788 -11.506 1.00 0.00 N ATOM 305 CA GLY A 24 9.154 -9.522 -11.902 1.00 0.00 C ATOM 306 C GLY A 24 9.112 -10.959 -11.377 1.00 0.00 C ATOM 307 O GLY A 24 9.969 -11.362 -10.593 1.00 0.00 O ATOM 0 H GLY A 24 7.368 -8.494 -12.279 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.236 -9.530 -12.989 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.041 -9.017 -11.520 1.00 0.00 H new ATOM 311 N LYS A 25 8.105 -11.691 -11.831 1.00 0.00 N ATOM 312 CA LYS A 25 7.940 -13.074 -11.417 1.00 0.00 C ATOM 313 C LYS A 25 7.390 -13.112 -9.990 1.00 0.00 C ATOM 314 O LYS A 25 6.358 -13.730 -9.734 1.00 0.00 O ATOM 315 CB LYS A 25 9.248 -13.846 -11.594 1.00 0.00 C ATOM 316 CG LYS A 25 9.737 -13.773 -13.042 1.00 0.00 C ATOM 317 CD LYS A 25 10.209 -15.144 -13.531 1.00 0.00 C ATOM 318 CE LYS A 25 9.965 -15.305 -15.032 1.00 0.00 C ATOM 319 NZ LYS A 25 8.788 -16.169 -15.276 1.00 0.00 N ATOM 0 H LYS A 25 7.396 -11.353 -12.481 1.00 0.00 H new ATOM 0 HA LYS A 25 7.212 -13.578 -12.053 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.008 -13.437 -10.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.101 -14.888 -11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.933 -13.411 -13.683 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.553 -13.055 -13.118 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.271 -15.265 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.683 -15.929 -12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.807 -14.328 -15.488 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.846 -15.738 -15.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.636 -16.268 -16.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.953 -17.107 -14.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.946 -15.740 -14.841 1.00 0.00 H new ATOM 333 N LYS A 26 8.106 -12.444 -9.097 1.00 0.00 N ATOM 334 CA LYS A 26 7.703 -12.395 -7.701 1.00 0.00 C ATOM 335 C LYS A 26 6.263 -11.885 -7.609 1.00 0.00 C ATOM 336 O LYS A 26 5.757 -11.270 -8.546 1.00 0.00 O ATOM 337 CB LYS A 26 8.700 -11.570 -6.885 1.00 0.00 C ATOM 338 CG LYS A 26 9.292 -12.399 -5.743 1.00 0.00 C ATOM 339 CD LYS A 26 9.415 -11.566 -4.466 1.00 0.00 C ATOM 340 CE LYS A 26 8.039 -11.292 -3.856 1.00 0.00 C ATOM 341 NZ LYS A 26 8.178 -10.756 -2.483 1.00 0.00 N ATOM 0 H LYS A 26 8.962 -11.933 -9.312 1.00 0.00 H new ATOM 0 HA LYS A 26 7.717 -13.394 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.500 -11.214 -7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.203 -10.689 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.661 -13.268 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.274 -12.774 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.039 -12.092 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.912 -10.622 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.494 -10.581 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.454 -12.211 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.235 -10.576 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.679 -11.448 -1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.718 -9.868 -2.510 1.00 0.00 H new ATOM 355 N LYS A 27 5.644 -12.161 -6.470 1.00 0.00 N ATOM 356 CA LYS A 27 4.273 -11.738 -6.243 1.00 0.00 C ATOM 357 C LYS A 27 4.167 -11.084 -4.863 1.00 0.00 C ATOM 358 O LYS A 27 4.221 -11.768 -3.842 1.00 0.00 O ATOM 359 CB LYS A 27 3.311 -12.911 -6.442 1.00 0.00 C ATOM 360 CG LYS A 27 3.755 -14.129 -5.630 1.00 0.00 C ATOM 361 CD LYS A 27 2.848 -15.331 -5.904 1.00 0.00 C ATOM 362 CE LYS A 27 2.347 -15.949 -4.597 1.00 0.00 C ATOM 363 NZ LYS A 27 2.359 -17.426 -4.684 1.00 0.00 N ATOM 0 H LYS A 27 6.067 -12.672 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 27 3.980 -10.986 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.306 -12.616 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.264 -13.172 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.785 -14.382 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.735 -13.889 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.999 -15.019 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.394 -16.079 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.976 -15.623 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.336 -15.599 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.016 -17.829 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.740 -17.733 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.329 -17.755 -4.863 1.00 0.00 H new ATOM 377 N ILE A 28 4.018 -9.768 -4.878 1.00 0.00 N ATOM 378 CA ILE A 28 3.905 -9.014 -3.641 1.00 0.00 C ATOM 379 C ILE A 28 2.425 -8.805 -3.310 1.00 0.00 C ATOM 380 O ILE A 28 1.647 -8.387 -4.166 1.00 0.00 O ATOM 381 CB ILE A 28 4.705 -7.713 -3.731 1.00 0.00 C ATOM 382 CG1 ILE A 28 6.143 -7.983 -4.176 1.00 0.00 C ATOM 383 CG2 ILE A 28 4.648 -6.942 -2.410 1.00 0.00 C ATOM 384 CD1 ILE A 28 6.291 -7.810 -5.689 1.00 0.00 C ATOM 0 H ILE A 28 3.973 -9.204 -5.727 1.00 0.00 H new ATOM 0 HA ILE A 28 4.342 -9.572 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 28 4.246 -7.082 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.821 -7.302 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.431 -8.995 -3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.225 -6.021 -2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.612 -6.699 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.067 -7.555 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.323 -8.008 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.630 -8.509 -6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.026 -6.790 -5.966 1.00 0.00 H new ATOM 396 N PRO A 29 2.073 -9.113 -2.033 1.00 0.00 N ATOM 397 CA PRO A 29 0.701 -8.963 -1.579 1.00 0.00 C ATOM 398 C PRO A 29 0.355 -7.490 -1.356 1.00 0.00 C ATOM 399 O PRO A 29 1.210 -6.702 -0.953 1.00 0.00 O ATOM 400 CB PRO A 29 0.614 -9.793 -0.309 1.00 0.00 C ATOM 401 CG PRO A 29 2.048 -9.997 0.154 1.00 0.00 C ATOM 402 CD PRO A 29 2.967 -9.611 -0.992 1.00 0.00 C ATOM 0 HA PRO A 29 -0.026 -9.308 -2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.027 -9.281 0.453 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.125 -10.748 -0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.256 -9.386 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.212 -11.035 0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.682 -8.848 -0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.544 -10.467 -1.342 1.00 0.00 H new ATOM 410 N VAL A 30 -0.900 -7.162 -1.626 1.00 0.00 N ATOM 411 CA VAL A 30 -1.369 -5.797 -1.460 1.00 0.00 C ATOM 412 C VAL A 30 -2.676 -5.805 -0.665 1.00 0.00 C ATOM 413 O VAL A 30 -3.414 -6.789 -0.686 1.00 0.00 O ATOM 414 CB VAL A 30 -1.504 -5.119 -2.825 1.00 0.00 C ATOM 415 CG1 VAL A 30 -2.362 -3.857 -2.728 1.00 0.00 C ATOM 416 CG2 VAL A 30 -0.130 -4.804 -3.419 1.00 0.00 C ATOM 0 H VAL A 30 -1.606 -7.818 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.646 -5.212 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.007 -5.815 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.442 -3.395 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.357 -4.120 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.900 -3.155 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.255 -4.323 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.411 -4.136 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.434 -5.729 -3.543 1.00 0.00 H new ATOM 426 N ALA A 31 -2.923 -4.697 0.018 1.00 0.00 N ATOM 427 CA ALA A 31 -4.128 -4.564 0.819 1.00 0.00 C ATOM 428 C ALA A 31 -4.759 -3.194 0.559 1.00 0.00 C ATOM 429 O ALA A 31 -4.168 -2.164 0.877 1.00 0.00 O ATOM 430 CB ALA A 31 -3.787 -4.778 2.295 1.00 0.00 C ATOM 0 H ALA A 31 -2.309 -3.883 0.033 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.859 -5.323 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.691 -4.678 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.369 -5.776 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.057 -4.033 2.612 1.00 0.00 H new ATOM 436 N ASP A 32 -5.952 -3.228 -0.016 1.00 0.00 N ATOM 437 CA ASP A 32 -6.670 -2.002 -0.322 1.00 0.00 C ATOM 438 C ASP A 32 -7.490 -1.578 0.898 1.00 0.00 C ATOM 439 O ASP A 32 -8.447 -2.253 1.273 1.00 0.00 O ATOM 440 CB ASP A 32 -7.635 -2.206 -1.492 1.00 0.00 C ATOM 441 CG ASP A 32 -7.188 -1.584 -2.816 1.00 0.00 C ATOM 442 OD1 ASP A 32 -5.957 -1.497 -3.015 1.00 0.00 O ATOM 443 OD2 ASP A 32 -8.087 -1.208 -3.599 1.00 0.00 O ATOM 0 H ASP A 32 -6.440 -4.085 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.937 -1.240 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.780 -3.276 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.604 -1.788 -1.221 1.00 0.00 H new ATOM 448 N CYS A 33 -7.083 -0.461 1.485 1.00 0.00 N ATOM 449 CA CYS A 33 -7.768 0.061 2.655 1.00 0.00 C ATOM 450 C CYS A 33 -8.208 1.495 2.354 1.00 0.00 C ATOM 451 O CYS A 33 -7.542 2.209 1.605 1.00 0.00 O ATOM 452 CB CYS A 33 -6.889 -0.015 3.905 1.00 0.00 C ATOM 453 SG CYS A 33 -5.219 0.636 3.537 1.00 0.00 S ATOM 0 H CYS A 33 -6.288 0.096 1.172 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.645 -0.550 2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.342 0.559 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.818 -1.047 4.248 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.482 0.569 4.606 1.00 0.00 H new ATOM 459 N ARG A 34 -9.327 1.875 2.953 1.00 0.00 N ATOM 460 CA ARG A 34 -9.864 3.211 2.758 1.00 0.00 C ATOM 461 C ARG A 34 -9.773 4.014 4.057 1.00 0.00 C ATOM 462 O ARG A 34 -10.313 3.605 5.084 1.00 0.00 O ATOM 463 CB ARG A 34 -11.323 3.157 2.301 1.00 0.00 C ATOM 464 CG ARG A 34 -11.735 4.468 1.628 1.00 0.00 C ATOM 465 CD ARG A 34 -12.908 5.118 2.365 1.00 0.00 C ATOM 466 NE ARG A 34 -13.813 5.775 1.396 1.00 0.00 N ATOM 467 CZ ARG A 34 -15.072 6.142 1.673 1.00 0.00 C ATOM 468 NH1 ARG A 34 -15.582 5.918 2.891 1.00 0.00 N ATOM 469 NH2 ARG A 34 -15.820 6.734 0.731 1.00 0.00 N ATOM 0 H ARG A 34 -9.877 1.281 3.574 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.271 3.697 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.460 2.329 1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.969 2.965 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.888 5.153 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.013 4.277 0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.454 4.364 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.537 5.850 3.082 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.456 5.960 0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.012 5.468 3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.540 6.197 3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.431 6.905 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.778 7.013 0.942 1.00 0.00 H new ATOM 483 N VAL A 35 -9.085 5.144 3.970 1.00 0.00 N ATOM 484 CA VAL A 35 -8.917 6.008 5.126 1.00 0.00 C ATOM 485 C VAL A 35 -10.291 6.467 5.619 1.00 0.00 C ATOM 486 O VAL A 35 -10.989 7.203 4.924 1.00 0.00 O ATOM 487 CB VAL A 35 -7.987 7.172 4.778 1.00 0.00 C ATOM 488 CG1 VAL A 35 -7.929 8.188 5.921 1.00 0.00 C ATOM 489 CG2 VAL A 35 -6.587 6.668 4.421 1.00 0.00 C ATOM 0 H VAL A 35 -8.638 5.480 3.117 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.444 5.464 5.944 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.395 7.676 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.261 9.005 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.928 8.583 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.557 7.701 6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.946 7.516 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.167 6.128 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.649 6.001 3.561 1.00 0.00 H new ATOM 499 N GLN A 36 -10.637 6.013 6.815 1.00 0.00 N ATOM 500 CA GLN A 36 -11.915 6.368 7.409 1.00 0.00 C ATOM 501 C GLN A 36 -11.781 7.654 8.227 1.00 0.00 C ATOM 502 O GLN A 36 -12.637 8.534 8.152 1.00 0.00 O ATOM 503 CB GLN A 36 -12.456 5.225 8.269 1.00 0.00 C ATOM 504 CG GLN A 36 -12.851 4.027 7.403 1.00 0.00 C ATOM 505 CD GLN A 36 -14.343 4.064 7.064 1.00 0.00 C ATOM 506 OE1 GLN A 36 -14.899 5.090 6.708 1.00 0.00 O ATOM 507 NE2 GLN A 36 -14.956 2.891 7.194 1.00 0.00 N ATOM 0 H GLN A 36 -10.055 5.403 7.389 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.631 6.544 6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.700 4.921 8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.321 5.569 8.836 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.265 4.029 6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.616 3.101 7.928 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.430 2.071 7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.952 2.811 6.991 1.00 0.00 H new ATOM 516 N LYS A 37 -10.700 7.722 8.990 1.00 0.00 N ATOM 517 CA LYS A 37 -10.443 8.886 9.821 1.00 0.00 C ATOM 518 C LYS A 37 -8.966 9.271 9.709 1.00 0.00 C ATOM 519 O LYS A 37 -8.090 8.409 9.757 1.00 0.00 O ATOM 520 CB LYS A 37 -10.903 8.630 11.258 1.00 0.00 C ATOM 521 CG LYS A 37 -12.427 8.507 11.331 1.00 0.00 C ATOM 522 CD LYS A 37 -12.840 7.148 11.900 1.00 0.00 C ATOM 523 CE LYS A 37 -14.065 7.283 12.807 1.00 0.00 C ATOM 524 NZ LYS A 37 -13.691 7.915 14.092 1.00 0.00 N ATOM 0 H LYS A 37 -9.992 6.990 9.050 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.024 9.739 9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.442 7.717 11.634 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.569 9.444 11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.830 9.304 11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.854 8.634 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.061 6.460 11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.012 6.719 12.463 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.829 7.881 12.310 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.499 6.300 12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.447 7.758 14.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.806 7.495 14.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.558 8.937 13.951 1.00 0.00 H new ATOM 538 N GLY A 38 -8.736 10.568 9.561 1.00 0.00 N ATOM 539 CA GLY A 38 -7.381 11.078 9.441 1.00 0.00 C ATOM 540 C GLY A 38 -6.803 10.778 8.056 1.00 0.00 C ATOM 541 O GLY A 38 -7.516 10.834 7.056 1.00 0.00 O ATOM 0 H GLY A 38 -9.465 11.280 9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.377 12.154 9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.750 10.628 10.208 1.00 0.00 H new ATOM 545 N GLN A 39 -5.515 10.467 8.043 1.00 0.00 N ATOM 546 CA GLN A 39 -4.832 10.158 6.798 1.00 0.00 C ATOM 547 C GLN A 39 -3.689 9.173 7.050 1.00 0.00 C ATOM 548 O GLN A 39 -3.424 8.803 8.193 1.00 0.00 O ATOM 549 CB GLN A 39 -4.320 11.432 6.123 1.00 0.00 C ATOM 550 CG GLN A 39 -3.362 12.193 7.043 1.00 0.00 C ATOM 551 CD GLN A 39 -2.146 12.702 6.267 1.00 0.00 C ATOM 552 OE1 GLN A 39 -1.514 11.983 5.510 1.00 0.00 O ATOM 553 NE2 GLN A 39 -1.853 13.979 6.497 1.00 0.00 N ATOM 0 H GLN A 39 -4.926 10.422 8.875 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.546 9.689 6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.811 11.176 5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.162 12.072 5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.883 13.033 7.502 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.034 11.541 7.853 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.423 14.525 7.143 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.058 14.412 6.027 1.00 0.00 H new ATOM 562 N LEU A 40 -3.043 8.776 5.963 1.00 0.00 N ATOM 563 CA LEU A 40 -1.934 7.841 6.052 1.00 0.00 C ATOM 564 C LEU A 40 -0.658 8.521 5.553 1.00 0.00 C ATOM 565 O LEU A 40 -0.617 9.028 4.434 1.00 0.00 O ATOM 566 CB LEU A 40 -2.268 6.543 5.314 1.00 0.00 C ATOM 567 CG LEU A 40 -3.548 5.830 5.755 1.00 0.00 C ATOM 568 CD1 LEU A 40 -3.773 4.554 4.943 1.00 0.00 C ATOM 569 CD2 LEU A 40 -3.532 5.556 7.261 1.00 0.00 C ATOM 0 H LEU A 40 -3.266 9.085 5.017 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.759 7.555 7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.347 6.764 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.432 5.854 5.435 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.392 6.490 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.689 4.067 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.860 4.806 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.930 3.878 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.453 5.049 7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.678 4.925 7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.454 6.499 7.802 1.00 0.00 H new ATOM 581 N GLU A 41 0.354 8.509 6.409 1.00 0.00 N ATOM 582 CA GLU A 41 1.628 9.119 6.069 1.00 0.00 C ATOM 583 C GLU A 41 2.726 8.055 6.008 1.00 0.00 C ATOM 584 O GLU A 41 2.975 7.358 6.991 1.00 0.00 O ATOM 585 CB GLU A 41 1.990 10.223 7.064 1.00 0.00 C ATOM 586 CG GLU A 41 0.893 11.288 7.124 1.00 0.00 C ATOM 587 CD GLU A 41 1.112 12.234 8.307 1.00 0.00 C ATOM 588 OE1 GLU A 41 1.896 13.192 8.131 1.00 0.00 O ATOM 589 OE2 GLU A 41 0.490 11.978 9.361 1.00 0.00 O ATOM 0 H GLU A 41 0.317 8.087 7.337 1.00 0.00 H new ATOM 0 HA GLU A 41 1.538 9.578 5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.137 9.791 8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.934 10.684 6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.883 11.858 6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.081 10.807 7.213 1.00 0.00 H new ATOM 596 N ARG A 42 3.352 7.963 4.844 1.00 0.00 N ATOM 597 CA ARG A 42 4.418 6.995 4.642 1.00 0.00 C ATOM 598 C ARG A 42 5.521 7.196 5.683 1.00 0.00 C ATOM 599 O ARG A 42 5.616 8.258 6.296 1.00 0.00 O ATOM 600 CB ARG A 42 5.018 7.123 3.241 1.00 0.00 C ATOM 601 CG ARG A 42 5.681 5.813 2.807 1.00 0.00 C ATOM 602 CD ARG A 42 5.125 5.336 1.464 1.00 0.00 C ATOM 603 NE ARG A 42 6.142 5.511 0.404 1.00 0.00 N ATOM 604 CZ ARG A 42 6.343 6.655 -0.263 1.00 0.00 C ATOM 605 NH1 ARG A 42 5.598 7.733 0.017 1.00 0.00 N ATOM 606 NH2 ARG A 42 7.289 6.722 -1.209 1.00 0.00 N ATOM 0 H ARG A 42 3.142 8.542 4.031 1.00 0.00 H new ATOM 0 HA ARG A 42 3.988 5.999 4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.237 7.392 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.752 7.928 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.759 5.955 2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.515 5.048 3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.836 4.287 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.226 5.899 1.213 1.00 0.00 H new ATOM 0 HE ARG A 42 6.727 4.710 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.878 7.682 0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.751 8.604 -0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.857 5.902 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.442 7.593 -1.717 1.00 0.00 H new ATOM 620 N HIS A 43 6.328 6.158 5.850 1.00 0.00 N ATOM 621 CA HIS A 43 7.421 6.207 6.806 1.00 0.00 C ATOM 622 C HIS A 43 6.898 5.861 8.202 1.00 0.00 C ATOM 623 O HIS A 43 7.447 4.990 8.876 1.00 0.00 O ATOM 624 CB HIS A 43 8.126 7.564 6.757 1.00 0.00 C ATOM 625 CG HIS A 43 9.632 7.471 6.690 1.00 0.00 C ATOM 626 ND1 HIS A 43 10.421 7.272 7.809 1.00 0.00 N ATOM 627 CD2 HIS A 43 10.483 7.553 5.627 1.00 0.00 C ATOM 628 CE1 HIS A 43 11.689 7.237 7.426 1.00 0.00 C ATOM 629 NE2 HIS A 43 11.725 7.412 6.074 1.00 0.00 N ATOM 0 H HIS A 43 6.247 5.279 5.340 1.00 0.00 H new ATOM 0 HA HIS A 43 8.172 5.463 6.542 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.767 8.117 5.889 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.847 8.139 7.640 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.195 7.706 4.597 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.544 7.095 8.071 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.568 7.431 5.500 1.00 0.00 H new ATOM 637 N LYS A 44 5.844 6.560 8.594 1.00 0.00 N ATOM 638 CA LYS A 44 5.240 6.338 9.897 1.00 0.00 C ATOM 639 C LYS A 44 5.138 4.833 10.157 1.00 0.00 C ATOM 640 O LYS A 44 5.278 4.030 9.236 1.00 0.00 O ATOM 641 CB LYS A 44 3.902 7.072 10.000 1.00 0.00 C ATOM 642 CG LYS A 44 4.102 8.587 9.936 1.00 0.00 C ATOM 643 CD LYS A 44 4.562 9.137 11.288 1.00 0.00 C ATOM 644 CE LYS A 44 4.585 10.667 11.278 1.00 0.00 C ATOM 645 NZ LYS A 44 5.975 11.164 11.159 1.00 0.00 N ATOM 0 H LYS A 44 5.392 7.281 8.032 1.00 0.00 H new ATOM 0 HA LYS A 44 5.867 6.756 10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.245 6.754 9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.408 6.806 10.935 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.840 8.828 9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.169 9.068 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.894 8.785 12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.557 8.756 11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.987 11.040 10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.133 11.049 12.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.973 12.204 11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.536 10.823 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.394 10.814 10.274 1.00 0.00 H new ATOM 659 N LYS A 45 4.896 4.498 11.416 1.00 0.00 N ATOM 660 CA LYS A 45 4.774 3.104 11.808 1.00 0.00 C ATOM 661 C LYS A 45 3.317 2.663 11.660 1.00 0.00 C ATOM 662 O LYS A 45 2.399 3.431 11.946 1.00 0.00 O ATOM 663 CB LYS A 45 5.340 2.892 13.214 1.00 0.00 C ATOM 664 CG LYS A 45 6.860 3.067 13.225 1.00 0.00 C ATOM 665 CD LYS A 45 7.241 4.538 13.408 1.00 0.00 C ATOM 666 CE LYS A 45 8.382 4.687 14.416 1.00 0.00 C ATOM 667 NZ LYS A 45 9.673 4.869 13.715 1.00 0.00 N ATOM 0 H LYS A 45 4.781 5.167 12.177 1.00 0.00 H new ATOM 0 HA LYS A 45 5.368 2.470 11.150 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.884 3.601 13.904 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.083 1.893 13.567 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.292 2.473 14.030 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.280 2.692 12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.540 4.962 12.449 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.373 5.102 13.749 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.191 5.541 15.066 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.429 3.804 15.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.437 4.969 14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.861 4.042 13.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.630 5.724 13.125 1.00 0.00 H new ATOM 681 N PHE A 46 3.149 1.427 11.212 1.00 0.00 N ATOM 682 CA PHE A 46 1.818 0.875 11.022 1.00 0.00 C ATOM 683 C PHE A 46 1.746 -0.567 11.531 1.00 0.00 C ATOM 684 O PHE A 46 2.764 -1.151 11.898 1.00 0.00 O ATOM 685 CB PHE A 46 1.540 0.887 9.518 1.00 0.00 C ATOM 686 CG PHE A 46 1.514 2.287 8.901 1.00 0.00 C ATOM 687 CD1 PHE A 46 2.648 3.036 8.866 1.00 0.00 C ATOM 688 CD2 PHE A 46 0.356 2.783 8.389 1.00 0.00 C ATOM 689 CE1 PHE A 46 2.624 4.335 8.293 1.00 0.00 C ATOM 690 CE2 PHE A 46 0.331 4.082 7.816 1.00 0.00 C ATOM 691 CZ PHE A 46 1.466 4.831 7.781 1.00 0.00 C ATOM 0 H PHE A 46 3.912 0.793 10.975 1.00 0.00 H new ATOM 0 HA PHE A 46 1.087 1.465 11.575 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.302 0.293 9.013 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.582 0.401 9.332 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.567 2.643 9.274 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.545 2.189 8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.525 4.929 8.264 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.589 4.475 7.408 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.447 5.820 7.347 1.00 0.00 H new ATOM 701 N LYS A 47 0.532 -1.098 11.535 1.00 0.00 N ATOM 702 CA LYS A 47 0.313 -2.460 11.993 1.00 0.00 C ATOM 703 C LYS A 47 -1.026 -2.966 11.451 1.00 0.00 C ATOM 704 O LYS A 47 -1.938 -2.178 11.207 1.00 0.00 O ATOM 705 CB LYS A 47 0.430 -2.539 13.516 1.00 0.00 C ATOM 706 CG LYS A 47 -0.488 -1.517 14.190 1.00 0.00 C ATOM 707 CD LYS A 47 -0.760 -1.900 15.646 1.00 0.00 C ATOM 708 CE LYS A 47 -0.654 -0.680 16.563 1.00 0.00 C ATOM 709 NZ LYS A 47 -0.038 -1.055 17.856 1.00 0.00 N ATOM 0 H LYS A 47 -0.310 -0.610 11.229 1.00 0.00 H new ATOM 0 HA LYS A 47 1.086 -3.122 11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.172 -3.543 13.853 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.463 -2.359 13.815 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.029 -0.529 14.150 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.430 -1.454 13.645 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.755 -2.338 15.731 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.048 -2.662 15.964 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.058 0.094 16.080 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.645 -0.259 16.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.026 -0.215 18.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.622 -1.778 18.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.915 -1.435 17.689 1.00 0.00 H new ATOM 723 N LEU A 48 -1.100 -4.278 11.280 1.00 0.00 N ATOM 724 CA LEU A 48 -2.312 -4.898 10.772 1.00 0.00 C ATOM 725 C LEU A 48 -3.052 -5.580 11.924 1.00 0.00 C ATOM 726 O LEU A 48 -2.535 -6.517 12.531 1.00 0.00 O ATOM 727 CB LEU A 48 -1.986 -5.838 9.609 1.00 0.00 C ATOM 728 CG LEU A 48 -3.184 -6.502 8.928 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.958 -5.496 8.074 1.00 0.00 C ATOM 730 CD2 LEU A 48 -2.746 -7.724 8.118 1.00 0.00 C ATOM 0 H LEU A 48 -0.341 -4.928 11.484 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.984 -4.143 10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.432 -5.276 8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.322 -6.621 9.976 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.864 -6.856 9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.804 -5.995 7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.321 -4.686 8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.301 -5.090 7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.617 -8.178 7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.035 -7.417 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.274 -8.450 8.781 1.00 0.00 H new ATOM 742 N ILE A 49 -4.251 -5.083 12.192 1.00 0.00 N ATOM 743 CA ILE A 49 -5.067 -5.632 13.261 1.00 0.00 C ATOM 744 C ILE A 49 -6.201 -6.462 12.656 1.00 0.00 C ATOM 745 O ILE A 49 -7.069 -5.925 11.968 1.00 0.00 O ATOM 746 CB ILE A 49 -5.549 -4.519 14.193 1.00 0.00 C ATOM 747 CG1 ILE A 49 -4.370 -3.842 14.895 1.00 0.00 C ATOM 748 CG2 ILE A 49 -6.583 -5.047 15.190 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.534 -3.032 13.904 1.00 0.00 C ATOM 0 H ILE A 49 -4.677 -4.306 11.687 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.477 -6.304 13.884 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.044 -3.759 13.589 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.739 -3.188 15.685 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.745 -4.596 15.373 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.909 -4.235 15.840 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.441 -5.444 14.648 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.137 -5.838 15.793 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.703 -2.561 14.429 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.146 -3.693 13.129 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.156 -2.263 13.446 1.00 0.00 H new ATOM 761 N ARG A 50 -6.158 -7.757 12.933 1.00 0.00 N ATOM 762 CA ARG A 50 -7.171 -8.665 12.425 1.00 0.00 C ATOM 763 C ARG A 50 -7.826 -9.429 13.577 1.00 0.00 C ATOM 764 O ARG A 50 -7.180 -10.245 14.233 1.00 0.00 O ATOM 765 CB ARG A 50 -6.568 -9.666 11.437 1.00 0.00 C ATOM 766 CG ARG A 50 -7.654 -10.548 10.818 1.00 0.00 C ATOM 767 CD ARG A 50 -7.094 -11.920 10.436 1.00 0.00 C ATOM 768 NE ARG A 50 -6.597 -11.893 9.042 1.00 0.00 N ATOM 769 CZ ARG A 50 -6.085 -12.956 8.407 1.00 0.00 C ATOM 770 NH1 ARG A 50 -6.001 -14.137 9.036 1.00 0.00 N ATOM 771 NH2 ARG A 50 -5.658 -12.839 7.142 1.00 0.00 N ATOM 0 H ARG A 50 -5.437 -8.199 13.503 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.922 -8.067 11.908 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.037 -9.131 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.835 -10.290 11.948 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.475 -10.670 11.525 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.064 -10.060 9.934 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.286 -12.194 11.114 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.868 -12.680 10.540 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.647 -11.010 8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.327 -14.227 9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.611 -14.946 8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.723 -11.941 6.663 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.268 -13.648 6.658 1.00 0.00 H new ATOM 785 N ASN A 51 -9.101 -9.136 13.790 1.00 0.00 N ATOM 786 CA ASN A 51 -9.850 -9.785 14.852 1.00 0.00 C ATOM 787 C ASN A 51 -9.550 -9.089 16.181 1.00 0.00 C ATOM 788 O ASN A 51 -10.086 -9.469 17.221 1.00 0.00 O ATOM 789 CB ASN A 51 -9.452 -11.256 14.989 1.00 0.00 C ATOM 790 CG ASN A 51 -10.653 -12.114 15.393 1.00 0.00 C ATOM 791 OD1 ASN A 51 -11.731 -11.622 15.682 1.00 0.00 O ATOM 792 ND2 ASN A 51 -10.407 -13.421 15.395 1.00 0.00 N ATOM 0 H ASN A 51 -9.634 -8.458 13.245 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.910 -9.720 14.604 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.045 -11.616 14.044 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.663 -11.355 15.734 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.144 -14.078 15.649 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.481 -13.766 15.142 1.00 0.00 H new ATOM 799 N GLY A 52 -8.694 -8.081 16.104 1.00 0.00 N ATOM 800 CA GLY A 52 -8.315 -7.328 17.288 1.00 0.00 C ATOM 801 C GLY A 52 -6.856 -7.594 17.664 1.00 0.00 C ATOM 802 O GLY A 52 -6.278 -6.870 18.473 1.00 0.00 O ATOM 0 H GLY A 52 -8.252 -7.768 15.240 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.459 -6.263 17.107 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.964 -7.601 18.120 1.00 0.00 H new ATOM 806 N GLN A 53 -6.303 -8.634 17.058 1.00 0.00 N ATOM 807 CA GLN A 53 -4.922 -9.005 17.319 1.00 0.00 C ATOM 808 C GLN A 53 -4.011 -8.469 16.213 1.00 0.00 C ATOM 809 O GLN A 53 -4.424 -8.365 15.059 1.00 0.00 O ATOM 810 CB GLN A 53 -4.779 -10.521 17.461 1.00 0.00 C ATOM 811 CG GLN A 53 -4.662 -11.192 16.091 1.00 0.00 C ATOM 812 CD GLN A 53 -4.875 -12.703 16.199 1.00 0.00 C ATOM 813 OE1 GLN A 53 -4.022 -13.445 16.656 1.00 0.00 O ATOM 814 NE2 GLN A 53 -6.059 -13.115 15.755 1.00 0.00 N ATOM 0 H GLN A 53 -6.786 -9.232 16.387 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.617 -8.555 18.264 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.898 -10.752 18.059 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.641 -10.923 17.994 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.398 -10.765 15.409 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.679 -10.989 15.666 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.728 -12.440 15.384 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.298 -14.106 15.785 1.00 0.00 H new ATOM 823 N VAL A 54 -2.788 -8.143 16.605 1.00 0.00 N ATOM 824 CA VAL A 54 -1.814 -7.620 15.661 1.00 0.00 C ATOM 825 C VAL A 54 -1.076 -8.786 14.999 1.00 0.00 C ATOM 826 O VAL A 54 -0.719 -9.757 15.664 1.00 0.00 O ATOM 827 CB VAL A 54 -0.874 -6.641 16.367 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.462 -6.535 15.630 1.00 0.00 C ATOM 829 CG2 VAL A 54 -1.528 -5.266 16.517 1.00 0.00 C ATOM 0 H VAL A 54 -2.449 -8.231 17.563 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.311 -7.058 14.870 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.675 -7.029 17.366 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.111 -5.833 16.153 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.939 -7.515 15.598 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.290 -6.182 14.613 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.839 -4.589 17.022 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.770 -4.869 15.531 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.441 -5.360 17.105 1.00 0.00 H new ATOM 839 N ILE A 55 -0.868 -8.650 13.698 1.00 0.00 N ATOM 840 CA ILE A 55 -0.178 -9.679 12.939 1.00 0.00 C ATOM 841 C ILE A 55 1.161 -9.131 12.443 1.00 0.00 C ATOM 842 O ILE A 55 2.176 -9.825 12.489 1.00 0.00 O ATOM 843 CB ILE A 55 -1.076 -10.212 11.820 1.00 0.00 C ATOM 844 CG1 ILE A 55 -1.925 -9.091 11.217 1.00 0.00 C ATOM 845 CG2 ILE A 55 -1.934 -11.379 12.315 1.00 0.00 C ATOM 846 CD1 ILE A 55 -3.252 -8.945 11.965 1.00 0.00 C ATOM 0 H ILE A 55 -1.165 -7.843 13.150 1.00 0.00 H new ATOM 0 HA ILE A 55 0.044 -10.536 13.575 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.438 -10.596 11.024 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.375 -8.151 11.258 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.118 -9.302 10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.563 -11.739 11.501 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.287 -12.186 12.658 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.564 -11.044 13.139 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.836 -8.142 11.516 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.810 -9.879 11.901 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.056 -8.710 13.011 1.00 0.00 H new ATOM 858 N TRP A 56 1.121 -7.889 11.982 1.00 0.00 N ATOM 859 CA TRP A 56 2.320 -7.239 11.478 1.00 0.00 C ATOM 860 C TRP A 56 2.438 -5.874 12.159 1.00 0.00 C ATOM 861 O TRP A 56 1.452 -5.150 12.282 1.00 0.00 O ATOM 862 CB TRP A 56 2.292 -7.146 9.951 1.00 0.00 C ATOM 863 CG TRP A 56 3.433 -6.316 9.358 1.00 0.00 C ATOM 864 CD1 TRP A 56 4.611 -6.750 8.890 1.00 0.00 C ATOM 865 CD2 TRP A 56 3.455 -4.883 9.187 1.00 0.00 C ATOM 866 NE1 TRP A 56 5.388 -5.705 8.432 1.00 0.00 N ATOM 867 CE2 TRP A 56 4.663 -4.534 8.619 1.00 0.00 C ATOM 868 CE3 TRP A 56 2.487 -3.914 9.503 1.00 0.00 C ATOM 869 CZ2 TRP A 56 5.015 -3.213 8.316 1.00 0.00 C ATOM 870 CZ3 TRP A 56 2.853 -2.599 9.194 1.00 0.00 C ATOM 871 CH2 TRP A 56 4.065 -2.231 8.622 1.00 0.00 C ATOM 0 H TRP A 56 0.278 -7.316 11.947 1.00 0.00 H new ATOM 0 HA TRP A 56 3.207 -7.825 11.717 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.334 -8.153 9.535 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.341 -6.712 9.641 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.914 -7.786 8.873 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.323 -5.779 8.030 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.536 -4.165 9.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.967 -2.965 7.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.144 -1.815 9.416 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.273 -1.192 8.414 1.00 0.00 H new ATOM 882 N LYS A 57 3.655 -5.564 12.583 1.00 0.00 N ATOM 883 CA LYS A 57 3.915 -4.298 13.248 1.00 0.00 C ATOM 884 C LYS A 57 5.222 -3.707 12.716 1.00 0.00 C ATOM 885 O LYS A 57 6.284 -4.312 12.858 1.00 0.00 O ATOM 886 CB LYS A 57 3.895 -4.477 14.767 1.00 0.00 C ATOM 887 CG LYS A 57 4.818 -5.619 15.197 1.00 0.00 C ATOM 888 CD LYS A 57 4.016 -6.780 15.788 1.00 0.00 C ATOM 889 CE LYS A 57 4.397 -8.104 15.123 1.00 0.00 C ATOM 890 NZ LYS A 57 3.501 -9.190 15.578 1.00 0.00 N ATOM 0 H LYS A 57 4.471 -6.167 12.479 1.00 0.00 H new ATOM 0 HA LYS A 57 3.125 -3.581 13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.207 -3.551 15.250 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.877 -4.682 15.099 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.393 -5.969 14.340 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.534 -5.255 15.934 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.197 -6.843 16.861 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.950 -6.595 15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.336 -8.004 14.039 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.431 -8.353 15.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.774 -10.081 15.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.580 -9.296 16.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.519 -8.957 15.328 1.00 0.00 H new ATOM 904 N GLY A 58 5.102 -2.533 12.114 1.00 0.00 N ATOM 905 CA GLY A 58 6.261 -1.854 11.560 1.00 0.00 C ATOM 906 C GLY A 58 5.840 -0.796 10.537 1.00 0.00 C ATOM 907 O GLY A 58 4.664 -0.444 10.452 1.00 0.00 O ATOM 0 H GLY A 58 4.220 -2.035 11.998 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.829 -1.383 12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.921 -2.581 11.086 1.00 0.00 H new ATOM 911 N SER A 59 6.822 -0.320 9.787 1.00 0.00 N ATOM 912 CA SER A 59 6.569 0.689 8.774 1.00 0.00 C ATOM 913 C SER A 59 6.336 0.022 7.417 1.00 0.00 C ATOM 914 O SER A 59 6.842 -1.070 7.163 1.00 0.00 O ATOM 915 CB SER A 59 7.728 1.683 8.684 1.00 0.00 C ATOM 916 OG SER A 59 8.994 1.040 8.808 1.00 0.00 O ATOM 0 H SER A 59 7.796 -0.615 9.861 1.00 0.00 H new ATOM 0 HA SER A 59 5.674 1.241 9.059 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.681 2.210 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.624 2.433 9.468 1.00 0.00 H new ATOM 0 HG SER A 59 9.708 1.708 8.744 1.00 0.00 H new ATOM 922 N LEU A 60 5.569 0.706 6.581 1.00 0.00 N ATOM 923 CA LEU A 60 5.262 0.192 5.256 1.00 0.00 C ATOM 924 C LEU A 60 6.461 0.424 4.334 1.00 0.00 C ATOM 925 O LEU A 60 7.181 1.411 4.482 1.00 0.00 O ATOM 926 CB LEU A 60 3.959 0.800 4.734 1.00 0.00 C ATOM 927 CG LEU A 60 2.765 0.751 5.691 1.00 0.00 C ATOM 928 CD1 LEU A 60 1.783 1.887 5.401 1.00 0.00 C ATOM 929 CD2 LEU A 60 2.086 -0.619 5.650 1.00 0.00 C ATOM 0 H LEU A 60 5.151 1.611 6.795 1.00 0.00 H new ATOM 0 HA LEU A 60 5.092 -0.884 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.147 1.841 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.683 0.284 3.814 1.00 0.00 H new ATOM 0 HG LEU A 60 3.134 0.897 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.944 1.829 6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.289 2.845 5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.415 1.798 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.241 -0.627 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.732 -0.819 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.801 -1.388 5.943 1.00 0.00 H new ATOM 941 N THR A 61 6.639 -0.502 3.403 1.00 0.00 N ATOM 942 CA THR A 61 7.738 -0.410 2.458 1.00 0.00 C ATOM 943 C THR A 61 7.374 0.527 1.305 1.00 0.00 C ATOM 944 O THR A 61 8.254 1.075 0.644 1.00 0.00 O ATOM 945 CB THR A 61 8.087 -1.828 2.001 1.00 0.00 C ATOM 946 OG1 THR A 61 7.066 -2.152 1.062 1.00 0.00 O ATOM 947 CG2 THR A 61 7.912 -2.862 3.114 1.00 0.00 C ATOM 0 H THR A 61 6.041 -1.319 3.283 1.00 0.00 H new ATOM 0 HA THR A 61 8.623 0.026 2.922 1.00 0.00 H new ATOM 0 HB THR A 61 9.117 -1.850 1.644 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.244 -2.387 1.541 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.173 -3.851 2.736 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.563 -2.610 3.951 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.875 -2.864 3.449 1.00 0.00 H new ATOM 955 N SER A 62 6.074 0.683 1.099 1.00 0.00 N ATOM 956 CA SER A 62 5.582 1.545 0.038 1.00 0.00 C ATOM 957 C SER A 62 4.096 1.838 0.249 1.00 0.00 C ATOM 958 O SER A 62 3.389 1.057 0.884 1.00 0.00 O ATOM 959 CB SER A 62 5.808 0.910 -1.336 1.00 0.00 C ATOM 960 OG SER A 62 7.077 0.269 -1.425 1.00 0.00 O ATOM 0 H SER A 62 5.346 0.227 1.649 1.00 0.00 H new ATOM 0 HA SER A 62 6.139 2.482 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.020 0.183 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.735 1.677 -2.107 1.00 0.00 H new ATOM 0 HG SER A 62 7.711 0.715 -0.826 1.00 0.00 H new ATOM 966 N LEU A 63 3.665 2.967 -0.295 1.00 0.00 N ATOM 967 CA LEU A 63 2.275 3.373 -0.174 1.00 0.00 C ATOM 968 C LEU A 63 1.941 4.370 -1.286 1.00 0.00 C ATOM 969 O LEU A 63 2.564 5.426 -1.385 1.00 0.00 O ATOM 970 CB LEU A 63 1.993 3.904 1.233 1.00 0.00 C ATOM 971 CG LEU A 63 0.734 4.760 1.386 1.00 0.00 C ATOM 972 CD1 LEU A 63 -0.477 3.896 1.744 1.00 0.00 C ATOM 973 CD2 LEU A 63 0.955 5.884 2.400 1.00 0.00 C ATOM 0 H LEU A 63 4.254 3.613 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 63 1.615 2.516 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.916 3.055 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.851 4.494 1.556 1.00 0.00 H new ATOM 0 HG LEU A 63 0.522 5.229 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.358 4.529 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.647 3.163 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.290 3.379 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.045 6.477 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.205 5.455 3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.772 6.522 2.064 1.00 0.00 H new ATOM 985 N LYS A 64 0.959 3.999 -2.094 1.00 0.00 N ATOM 986 CA LYS A 64 0.535 4.847 -3.195 1.00 0.00 C ATOM 987 C LYS A 64 -0.962 5.135 -3.064 1.00 0.00 C ATOM 988 O LYS A 64 -1.659 4.475 -2.296 1.00 0.00 O ATOM 989 CB LYS A 64 0.926 4.221 -4.536 1.00 0.00 C ATOM 990 CG LYS A 64 2.425 3.915 -4.582 1.00 0.00 C ATOM 991 CD LYS A 64 2.909 3.766 -6.026 1.00 0.00 C ATOM 992 CE LYS A 64 4.046 2.746 -6.120 1.00 0.00 C ATOM 993 NZ LYS A 64 4.580 2.692 -7.499 1.00 0.00 N ATOM 0 H LYS A 64 0.445 3.122 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 64 1.050 5.807 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.359 3.303 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.665 4.899 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.979 4.715 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.630 2.998 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.080 3.452 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.249 4.731 -6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.842 3.015 -5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.684 1.761 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.351 1.995 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.822 2.414 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.943 3.629 -7.767 1.00 0.00 H new ATOM 1007 N HIS A 65 -1.411 6.121 -3.826 1.00 0.00 N ATOM 1008 CA HIS A 65 -2.812 6.505 -3.805 1.00 0.00 C ATOM 1009 C HIS A 65 -3.556 5.794 -4.937 1.00 0.00 C ATOM 1010 O HIS A 65 -4.593 5.173 -4.710 1.00 0.00 O ATOM 1011 CB HIS A 65 -2.960 8.027 -3.862 1.00 0.00 C ATOM 1012 CG HIS A 65 -4.191 8.497 -4.599 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -5.377 7.783 -4.608 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -4.409 9.615 -5.349 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -6.261 8.451 -5.335 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -5.659 9.586 -5.794 1.00 0.00 N ATOM 0 H HIS A 65 -0.829 6.666 -4.462 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.265 6.190 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.987 8.418 -2.845 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.078 8.450 -4.343 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.542 6.894 -4.136 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.686 10.393 -5.547 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.280 8.150 -5.530 1.00 0.00 H new ATOM 1075 N ASP A 69 3.365 8.577 -6.103 1.00 0.00 N ATOM 1076 CA ASP A 69 3.996 8.338 -4.816 1.00 0.00 C ATOM 1077 C ASP A 69 3.609 9.457 -3.847 1.00 0.00 C ATOM 1078 O ASP A 69 4.374 10.398 -3.642 1.00 0.00 O ATOM 1079 CB ASP A 69 5.521 8.330 -4.944 1.00 0.00 C ATOM 1080 CG ASP A 69 6.060 7.670 -6.215 1.00 0.00 C ATOM 1081 OD1 ASP A 69 6.002 8.339 -7.270 1.00 0.00 O ATOM 1082 OD2 ASP A 69 6.518 6.513 -6.103 1.00 0.00 O ATOM 0 HA ASP A 69 3.659 7.368 -4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.879 9.359 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.940 7.815 -4.080 1.00 0.00 H new ATOM 1087 N ILE A 70 2.421 9.317 -3.276 1.00 0.00 N ATOM 1088 CA ILE A 70 1.923 10.304 -2.334 1.00 0.00 C ATOM 1089 C ILE A 70 2.224 9.839 -0.908 1.00 0.00 C ATOM 1090 O ILE A 70 2.082 8.658 -0.593 1.00 0.00 O ATOM 1091 CB ILE A 70 0.442 10.588 -2.588 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -0.012 11.844 -1.840 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -0.418 9.371 -2.239 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -1.175 12.524 -2.566 1.00 0.00 C ATOM 0 H ILE A 70 1.789 8.535 -3.448 1.00 0.00 H new ATOM 0 HA ILE A 70 2.435 11.256 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 70 0.309 10.781 -3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.316 11.579 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.822 12.540 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.467 9.600 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.115 8.523 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.286 9.122 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.478 13.413 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.860 12.810 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.016 11.834 -2.632 1.00 0.00 H new ATOM 1106 N SER A 71 2.635 10.791 -0.083 1.00 0.00 N ATOM 1107 CA SER A 71 2.958 10.493 1.302 1.00 0.00 C ATOM 1108 C SER A 71 1.821 10.957 2.216 1.00 0.00 C ATOM 1109 O SER A 71 2.050 11.285 3.379 1.00 0.00 O ATOM 1110 CB SER A 71 4.274 11.153 1.716 1.00 0.00 C ATOM 1111 OG SER A 71 5.382 10.268 1.576 1.00 0.00 O ATOM 0 H SER A 71 2.752 11.769 -0.347 1.00 0.00 H new ATOM 0 HA SER A 71 3.078 9.414 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.441 12.042 1.108 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.203 11.484 2.752 1.00 0.00 H new ATOM 0 HG SER A 71 6.204 10.727 1.849 1.00 0.00 H new ATOM 1117 N VAL A 72 0.621 10.972 1.654 1.00 0.00 N ATOM 1118 CA VAL A 72 -0.551 11.391 2.403 1.00 0.00 C ATOM 1119 C VAL A 72 -1.808 10.849 1.719 1.00 0.00 C ATOM 1120 O VAL A 72 -1.871 10.780 0.493 1.00 0.00 O ATOM 1121 CB VAL A 72 -0.560 12.914 2.551 1.00 0.00 C ATOM 1122 CG1 VAL A 72 -1.960 13.422 2.901 1.00 0.00 C ATOM 1123 CG2 VAL A 72 0.464 13.369 3.592 1.00 0.00 C ATOM 0 H VAL A 72 0.435 10.701 0.688 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.527 10.980 3.412 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.277 13.346 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.939 14.507 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.656 13.144 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.284 12.978 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.437 14.455 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.225 12.923 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.461 13.054 3.284 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.778 10.479 2.543 1.00 0.00 N ATOM 1134 CA ILE A 73 -4.029 9.945 2.033 1.00 0.00 C ATOM 1135 C ILE A 73 -5.187 10.476 2.880 1.00 0.00 C ATOM 1136 O ILE A 73 -5.415 10.004 3.993 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.971 8.418 1.960 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -2.834 7.956 1.047 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -5.321 7.837 1.535 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -3.170 8.218 -0.423 1.00 0.00 C ATOM 0 H ILE A 73 -2.722 10.539 3.560 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.199 10.283 1.011 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.757 8.036 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.915 8.478 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.651 6.892 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.252 6.750 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.084 8.123 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.590 8.223 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.345 7.880 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.076 7.675 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.328 9.286 -0.575 1.00 0.00 H new ATOM 1152 N LYS A 74 -5.889 11.452 2.321 1.00 0.00 N ATOM 1153 CA LYS A 74 -7.018 12.052 3.011 1.00 0.00 C ATOM 1154 C LYS A 74 -8.124 11.008 3.175 1.00 0.00 C ATOM 1155 O LYS A 74 -7.972 9.865 2.746 1.00 0.00 O ATOM 1156 CB LYS A 74 -7.473 13.322 2.290 1.00 0.00 C ATOM 1157 CG LYS A 74 -6.315 14.312 2.138 1.00 0.00 C ATOM 1158 CD LYS A 74 -6.785 15.608 1.475 1.00 0.00 C ATOM 1159 CE LYS A 74 -5.820 16.039 0.369 1.00 0.00 C ATOM 1160 NZ LYS A 74 -6.089 17.436 -0.039 1.00 0.00 N ATOM 0 H LYS A 74 -5.697 11.842 1.398 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.727 12.369 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.867 13.065 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.285 13.789 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.890 14.534 3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.522 13.861 1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.782 15.467 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.862 16.397 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.792 15.948 0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.924 15.377 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.425 17.712 -0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.064 17.513 -0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.967 18.066 0.779 1.00 0.00 H new ATOM 1174 N THR A 75 -9.212 11.438 3.797 1.00 0.00 N ATOM 1175 CA THR A 75 -10.343 10.555 4.022 1.00 0.00 C ATOM 1176 C THR A 75 -11.119 10.338 2.722 1.00 0.00 C ATOM 1177 O THR A 75 -11.317 11.275 1.950 1.00 0.00 O ATOM 1178 CB THR A 75 -11.194 11.153 5.145 1.00 0.00 C ATOM 1179 OG1 THR A 75 -10.331 11.138 6.279 1.00 0.00 O ATOM 1180 CG2 THR A 75 -12.355 10.242 5.548 1.00 0.00 C ATOM 0 H THR A 75 -9.334 12.386 4.152 1.00 0.00 H new ATOM 0 HA THR A 75 -10.014 9.564 4.336 1.00 0.00 H new ATOM 0 HB THR A 75 -11.585 12.120 4.829 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.802 11.511 7.053 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.927 10.713 6.348 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.003 10.077 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.964 9.286 5.896 1.00 0.00 H new ATOM 1188 N GLY A 76 -11.537 9.098 2.519 1.00 0.00 N ATOM 1189 CA GLY A 76 -12.287 8.747 1.325 1.00 0.00 C ATOM 1190 C GLY A 76 -11.347 8.365 0.179 1.00 0.00 C ATOM 1191 O GLY A 76 -11.790 7.859 -0.850 1.00 0.00 O ATOM 0 H GLY A 76 -11.371 8.323 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.957 7.915 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.911 9.588 1.023 1.00 0.00 H new ATOM 1195 N MET A 77 -10.065 8.622 0.398 1.00 0.00 N ATOM 1196 CA MET A 77 -9.059 8.311 -0.603 1.00 0.00 C ATOM 1197 C MET A 77 -8.577 6.865 -0.466 1.00 0.00 C ATOM 1198 O MET A 77 -8.163 6.445 0.613 1.00 0.00 O ATOM 1199 CB MET A 77 -7.871 9.262 -0.445 1.00 0.00 C ATOM 1200 CG MET A 77 -8.138 10.594 -1.149 1.00 0.00 C ATOM 1201 SD MET A 77 -7.269 10.646 -2.707 1.00 0.00 S ATOM 1202 CE MET A 77 -5.585 10.519 -2.127 1.00 0.00 C ATOM 0 H MET A 77 -9.701 9.042 1.253 1.00 0.00 H new ATOM 0 HA MET A 77 -9.506 8.433 -1.590 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.680 9.438 0.614 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.974 8.801 -0.859 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.208 10.719 -1.316 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.816 11.421 -0.516 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.925 11.058 -2.807 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.510 10.952 -1.129 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.291 9.470 -2.091 1.00 0.00 H new ATOM 1212 N ASP A 78 -8.647 6.144 -1.575 1.00 0.00 N ATOM 1213 CA ASP A 78 -8.223 4.754 -1.592 1.00 0.00 C ATOM 1214 C ASP A 78 -6.709 4.690 -1.801 1.00 0.00 C ATOM 1215 O ASP A 78 -6.147 5.492 -2.546 1.00 0.00 O ATOM 1216 CB ASP A 78 -8.891 3.989 -2.736 1.00 0.00 C ATOM 1217 CG ASP A 78 -10.394 4.231 -2.886 1.00 0.00 C ATOM 1218 OD1 ASP A 78 -11.098 4.081 -1.864 1.00 0.00 O ATOM 1219 OD2 ASP A 78 -10.806 4.562 -4.019 1.00 0.00 O ATOM 0 H ASP A 78 -8.991 6.496 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.508 4.303 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.400 4.261 -3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.723 2.922 -2.586 1.00 0.00 H new ATOM 1224 N CYS A 79 -6.091 3.729 -1.130 1.00 0.00 N ATOM 1225 CA CYS A 79 -4.653 3.549 -1.233 1.00 0.00 C ATOM 1226 C CYS A 79 -4.323 2.099 -0.875 1.00 0.00 C ATOM 1227 O CYS A 79 -5.114 1.422 -0.221 1.00 0.00 O ATOM 1228 CB CYS A 79 -3.895 4.542 -0.350 1.00 0.00 C ATOM 1229 SG CYS A 79 -4.422 4.358 1.393 1.00 0.00 S ATOM 0 H CYS A 79 -6.560 3.067 -0.513 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.331 3.752 -2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.822 4.371 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.083 5.561 -0.690 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.545 3.648 2.039 1.00 0.00 H new ATOM 1235 N GLY A 80 -3.153 1.664 -1.321 1.00 0.00 N ATOM 1236 CA GLY A 80 -2.709 0.307 -1.056 1.00 0.00 C ATOM 1237 C GLY A 80 -1.318 0.300 -0.418 1.00 0.00 C ATOM 1238 O GLY A 80 -0.480 1.141 -0.739 1.00 0.00 O ATOM 0 H GLY A 80 -2.499 2.228 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.419 -0.189 -0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.689 -0.261 -1.986 1.00 0.00 H new ATOM 1242 N LEU A 81 -1.116 -0.659 0.474 1.00 0.00 N ATOM 1243 CA LEU A 81 0.158 -0.787 1.159 1.00 0.00 C ATOM 1244 C LEU A 81 0.588 -2.255 1.158 1.00 0.00 C ATOM 1245 O LEU A 81 -0.244 -3.149 1.010 1.00 0.00 O ATOM 1246 CB LEU A 81 0.079 -0.170 2.557 1.00 0.00 C ATOM 1247 CG LEU A 81 -1.012 -0.727 3.475 1.00 0.00 C ATOM 1248 CD1 LEU A 81 -0.533 -1.991 4.191 1.00 0.00 C ATOM 1249 CD2 LEU A 81 -1.498 0.340 4.457 1.00 0.00 C ATOM 0 H LEU A 81 -1.814 -1.355 0.738 1.00 0.00 H new ATOM 0 HA LEU A 81 0.931 -0.228 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.043 -0.305 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.076 0.904 2.451 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.866 -1.011 2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.327 -2.366 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.275 -2.751 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.345 -1.757 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.273 -0.081 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.663 0.677 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.905 1.186 3.903 1.00 0.00 H new ATOM 1261 N SER A 82 1.887 -2.459 1.325 1.00 0.00 N ATOM 1262 CA SER A 82 2.437 -3.803 1.345 1.00 0.00 C ATOM 1263 C SER A 82 3.542 -3.901 2.399 1.00 0.00 C ATOM 1264 O SER A 82 4.346 -2.981 2.548 1.00 0.00 O ATOM 1265 CB SER A 82 2.980 -4.197 -0.030 1.00 0.00 C ATOM 1266 OG SER A 82 3.742 -3.150 -0.623 1.00 0.00 O ATOM 0 H SER A 82 2.574 -1.715 1.448 1.00 0.00 H new ATOM 0 HA SER A 82 1.636 -4.496 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.601 -5.087 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.150 -4.458 -0.686 1.00 0.00 H new ATOM 0 HG SER A 82 4.072 -3.441 -1.498 1.00 0.00 H new ATOM 1272 N LEU A 83 3.547 -5.023 3.103 1.00 0.00 N ATOM 1273 CA LEU A 83 4.540 -5.253 4.139 1.00 0.00 C ATOM 1274 C LEU A 83 5.687 -6.086 3.564 1.00 0.00 C ATOM 1275 O LEU A 83 5.504 -6.811 2.587 1.00 0.00 O ATOM 1276 CB LEU A 83 3.889 -5.873 5.377 1.00 0.00 C ATOM 1277 CG LEU A 83 2.479 -5.382 5.711 1.00 0.00 C ATOM 1278 CD1 LEU A 83 1.829 -6.265 6.778 1.00 0.00 C ATOM 1279 CD2 LEU A 83 2.495 -3.907 6.119 1.00 0.00 C ATOM 0 H LEU A 83 2.879 -5.783 2.977 1.00 0.00 H new ATOM 0 HA LEU A 83 4.969 -4.308 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.853 -6.954 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.532 -5.681 6.236 1.00 0.00 H new ATOM 0 HG LEU A 83 1.868 -5.461 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.828 -5.894 6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.764 -7.290 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.431 -6.241 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.481 -3.583 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.127 -3.779 6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.889 -3.307 5.299 1.00 0.00 H new ATOM 1291 N ASP A 84 6.845 -5.956 4.195 1.00 0.00 N ATOM 1292 CA ASP A 84 8.022 -6.688 3.758 1.00 0.00 C ATOM 1293 C ASP A 84 7.842 -8.173 4.080 1.00 0.00 C ATOM 1294 O ASP A 84 8.435 -9.029 3.427 1.00 0.00 O ATOM 1295 CB ASP A 84 9.276 -6.196 4.481 1.00 0.00 C ATOM 1296 CG ASP A 84 9.230 -6.310 6.006 1.00 0.00 C ATOM 1297 OD1 ASP A 84 8.662 -5.386 6.628 1.00 0.00 O ATOM 1298 OD2 ASP A 84 9.764 -7.318 6.516 1.00 0.00 O ATOM 0 H ASP A 84 6.993 -5.355 5.005 1.00 0.00 H new ATOM 0 HA ASP A 84 8.139 -6.530 2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.133 -6.761 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.445 -5.153 4.215 1.00 0.00 H new ATOM 1303 N GLU A 85 7.021 -8.432 5.087 1.00 0.00 N ATOM 1304 CA GLU A 85 6.755 -9.798 5.504 1.00 0.00 C ATOM 1305 C GLU A 85 5.518 -10.341 4.786 1.00 0.00 C ATOM 1306 O GLU A 85 4.424 -10.353 5.349 1.00 0.00 O ATOM 1307 CB GLU A 85 6.591 -9.886 7.023 1.00 0.00 C ATOM 1308 CG GLU A 85 6.925 -11.290 7.530 1.00 0.00 C ATOM 1309 CD GLU A 85 8.354 -11.349 8.075 1.00 0.00 C ATOM 1310 OE1 GLU A 85 8.736 -10.386 8.773 1.00 0.00 O ATOM 1311 OE2 GLU A 85 9.032 -12.358 7.780 1.00 0.00 O ATOM 0 H GLU A 85 6.531 -7.718 5.627 1.00 0.00 H new ATOM 0 HA GLU A 85 7.611 -10.414 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.242 -9.157 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.568 -9.630 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.221 -11.575 8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.811 -12.010 6.720 1.00 0.00 H new ATOM 1318 N GLU A 86 5.733 -10.778 3.554 1.00 0.00 N ATOM 1319 CA GLU A 86 4.649 -11.321 2.753 1.00 0.00 C ATOM 1320 C GLU A 86 3.859 -12.354 3.560 1.00 0.00 C ATOM 1321 O GLU A 86 2.693 -12.615 3.268 1.00 0.00 O ATOM 1322 CB GLU A 86 5.179 -11.930 1.453 1.00 0.00 C ATOM 1323 CG GLU A 86 6.184 -13.047 1.741 1.00 0.00 C ATOM 1324 CD GLU A 86 7.621 -12.539 1.607 1.00 0.00 C ATOM 1325 OE1 GLU A 86 7.920 -11.506 2.244 1.00 0.00 O ATOM 1326 OE2 GLU A 86 8.389 -13.196 0.872 1.00 0.00 O ATOM 0 H GLU A 86 6.642 -10.767 3.091 1.00 0.00 H new ATOM 0 HA GLU A 86 3.977 -10.505 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.349 -12.325 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.654 -11.155 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.024 -13.435 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.021 -13.875 1.051 1.00 0.00 H new ATOM 1333 N LYS A 87 4.526 -12.913 4.559 1.00 0.00 N ATOM 1334 CA LYS A 87 3.900 -13.911 5.410 1.00 0.00 C ATOM 1335 C LYS A 87 2.583 -13.357 5.956 1.00 0.00 C ATOM 1336 O LYS A 87 1.561 -14.041 5.935 1.00 0.00 O ATOM 1337 CB LYS A 87 4.872 -14.372 6.498 1.00 0.00 C ATOM 1338 CG LYS A 87 5.419 -15.767 6.189 1.00 0.00 C ATOM 1339 CD LYS A 87 5.859 -16.479 7.470 1.00 0.00 C ATOM 1340 CE LYS A 87 7.378 -16.664 7.501 1.00 0.00 C ATOM 1341 NZ LYS A 87 7.723 -18.057 7.861 1.00 0.00 N ATOM 0 H LYS A 87 5.493 -12.694 4.798 1.00 0.00 H new ATOM 0 HA LYS A 87 3.655 -14.803 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.697 -13.664 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.365 -14.382 7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.655 -16.358 5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.264 -15.687 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.542 -15.902 8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.369 -17.451 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.800 -16.419 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.819 -15.976 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.757 -18.165 7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.337 -18.279 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.318 -18.708 7.158 1.00 0.00 H new ATOM 1355 N VAL A 88 2.650 -12.122 6.433 1.00 0.00 N ATOM 1356 CA VAL A 88 1.476 -11.468 6.984 1.00 0.00 C ATOM 1357 C VAL A 88 0.417 -11.325 5.889 1.00 0.00 C ATOM 1358 O VAL A 88 0.705 -10.823 4.803 1.00 0.00 O ATOM 1359 CB VAL A 88 1.869 -10.131 7.614 1.00 0.00 C ATOM 1360 CG1 VAL A 88 0.643 -9.408 8.177 1.00 0.00 C ATOM 1361 CG2 VAL A 88 2.935 -10.326 8.694 1.00 0.00 C ATOM 0 H VAL A 88 3.499 -11.558 6.449 1.00 0.00 H new ATOM 0 HA VAL A 88 1.041 -12.071 7.781 1.00 0.00 H new ATOM 0 HB VAL A 88 2.296 -9.505 6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.951 -8.460 8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.069 -9.219 7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.173 -10.029 8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.197 -9.360 9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.546 -10.979 9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.823 -10.778 8.252 1.00 0.00 H new ATOM 1371 N GLU A 89 -0.787 -11.774 6.212 1.00 0.00 N ATOM 1372 CA GLU A 89 -1.891 -11.702 5.269 1.00 0.00 C ATOM 1373 C GLU A 89 -2.972 -10.754 5.790 1.00 0.00 C ATOM 1374 O GLU A 89 -3.158 -10.621 6.999 1.00 0.00 O ATOM 1375 CB GLU A 89 -2.467 -13.092 4.993 1.00 0.00 C ATOM 1376 CG GLU A 89 -3.879 -12.994 4.412 1.00 0.00 C ATOM 1377 CD GLU A 89 -4.463 -14.385 4.151 1.00 0.00 C ATOM 1378 OE1 GLU A 89 -4.945 -14.991 5.132 1.00 0.00 O ATOM 1379 OE2 GLU A 89 -4.413 -14.810 2.977 1.00 0.00 O ATOM 0 H GLU A 89 -1.023 -12.189 7.113 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.513 -11.308 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.820 -13.626 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.489 -13.671 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.523 -12.449 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.855 -12.426 3.482 1.00 0.00 H new ATOM 1386 N PHE A 90 -3.658 -10.118 4.852 1.00 0.00 N ATOM 1387 CA PHE A 90 -4.716 -9.185 5.201 1.00 0.00 C ATOM 1388 C PHE A 90 -6.090 -9.753 4.838 1.00 0.00 C ATOM 1389 O PHE A 90 -6.184 -10.755 4.129 1.00 0.00 O ATOM 1390 CB PHE A 90 -4.475 -7.910 4.389 1.00 0.00 C ATOM 1391 CG PHE A 90 -2.997 -7.564 4.200 1.00 0.00 C ATOM 1392 CD1 PHE A 90 -2.267 -8.199 3.244 1.00 0.00 C ATOM 1393 CD2 PHE A 90 -2.412 -6.622 4.988 1.00 0.00 C ATOM 1394 CE1 PHE A 90 -0.895 -7.878 3.068 1.00 0.00 C ATOM 1395 CE2 PHE A 90 -1.040 -6.301 4.812 1.00 0.00 C ATOM 1396 CZ PHE A 90 -0.311 -6.935 3.856 1.00 0.00 C ATOM 0 H PHE A 90 -3.502 -10.230 3.850 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.703 -8.993 6.274 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.940 -8.022 3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.972 -7.076 4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.731 -8.947 2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.991 -6.118 5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.315 -8.382 2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.576 -5.553 5.438 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.732 -6.690 3.722 1.00 0.00 H new ATOM 1406 N LYS A 91 -7.121 -9.090 5.340 1.00 0.00 N ATOM 1407 CA LYS A 91 -8.485 -9.516 5.077 1.00 0.00 C ATOM 1408 C LYS A 91 -9.418 -8.307 5.161 1.00 0.00 C ATOM 1409 O LYS A 91 -9.085 -7.304 5.791 1.00 0.00 O ATOM 1410 CB LYS A 91 -8.877 -10.662 6.013 1.00 0.00 C ATOM 1411 CG LYS A 91 -8.664 -12.018 5.339 1.00 0.00 C ATOM 1412 CD LYS A 91 -9.947 -12.851 5.364 1.00 0.00 C ATOM 1413 CE LYS A 91 -10.120 -13.631 4.060 1.00 0.00 C ATOM 1414 NZ LYS A 91 -9.595 -15.007 4.205 1.00 0.00 N ATOM 0 H LYS A 91 -7.039 -8.260 5.928 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.572 -9.915 4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.285 -10.609 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.922 -10.557 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.343 -11.869 4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.865 -12.559 5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.919 -13.544 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.806 -12.198 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.175 -13.665 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.598 -13.120 3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.720 -15.522 3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.584 -14.969 4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.112 -15.498 4.963 1.00 0.00 H new ATOM 1428 N PRO A 92 -10.598 -8.444 4.499 1.00 0.00 N ATOM 1429 CA PRO A 92 -11.581 -7.375 4.492 1.00 0.00 C ATOM 1430 C PRO A 92 -12.306 -7.288 5.837 1.00 0.00 C ATOM 1431 O PRO A 92 -13.534 -7.339 5.889 1.00 0.00 O ATOM 1432 CB PRO A 92 -12.512 -7.703 3.336 1.00 0.00 C ATOM 1433 CG PRO A 92 -12.296 -9.177 3.033 1.00 0.00 C ATOM 1434 CD PRO A 92 -11.025 -9.617 3.742 1.00 0.00 C ATOM 0 HA PRO A 92 -11.131 -6.391 4.357 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.550 -7.507 3.603 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.285 -7.088 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.147 -9.766 3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.209 -9.337 1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.212 -10.466 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.261 -9.928 3.029 1.00 0.00 H new ATOM 1442 N GLY A 93 -11.515 -7.158 6.892 1.00 0.00 N ATOM 1443 CA GLY A 93 -12.066 -7.064 8.233 1.00 0.00 C ATOM 1444 C GLY A 93 -10.959 -6.844 9.267 1.00 0.00 C ATOM 1445 O GLY A 93 -11.052 -7.328 10.394 1.00 0.00 O ATOM 0 H GLY A 93 -10.497 -7.116 6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.781 -6.242 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.614 -7.976 8.470 1.00 0.00 H new ATOM 1449 N ASP A 94 -9.937 -6.115 8.845 1.00 0.00 N ATOM 1450 CA ASP A 94 -8.813 -5.826 9.720 1.00 0.00 C ATOM 1451 C ASP A 94 -8.735 -4.317 9.960 1.00 0.00 C ATOM 1452 O ASP A 94 -9.629 -3.573 9.558 1.00 0.00 O ATOM 1453 CB ASP A 94 -7.493 -6.272 9.088 1.00 0.00 C ATOM 1454 CG ASP A 94 -7.460 -7.729 8.621 1.00 0.00 C ATOM 1455 OD1 ASP A 94 -8.555 -8.328 8.552 1.00 0.00 O ATOM 1456 OD2 ASP A 94 -6.341 -8.210 8.342 1.00 0.00 O ATOM 0 H ASP A 94 -9.863 -5.716 7.909 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.966 -6.366 10.654 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.280 -5.628 8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.691 -6.119 9.811 1.00 0.00 H new ATOM 1461 N GLN A 95 -7.658 -3.909 10.615 1.00 0.00 N ATOM 1462 CA GLN A 95 -7.451 -2.502 10.914 1.00 0.00 C ATOM 1463 C GLN A 95 -5.987 -2.121 10.688 1.00 0.00 C ATOM 1464 O GLN A 95 -5.090 -2.933 10.905 1.00 0.00 O ATOM 1465 CB GLN A 95 -7.889 -2.175 12.343 1.00 0.00 C ATOM 1466 CG GLN A 95 -9.329 -1.660 12.372 1.00 0.00 C ATOM 1467 CD GLN A 95 -9.858 -1.590 13.806 1.00 0.00 C ATOM 1468 OE1 GLN A 95 -9.566 -0.677 14.559 1.00 0.00 O ATOM 1469 NE2 GLN A 95 -10.652 -2.604 14.139 1.00 0.00 N ATOM 0 H GLN A 95 -6.919 -4.529 10.947 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.068 -1.912 10.236 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.805 -3.066 12.965 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.222 -1.425 12.769 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.375 -0.671 11.915 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -9.965 -2.315 11.777 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.856 -3.337 13.459 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.057 -2.649 15.074 1.00 0.00 H new ATOM 1478 N VAL A 96 -5.791 -0.884 10.255 1.00 0.00 N ATOM 1479 CA VAL A 96 -4.451 -0.385 9.998 1.00 0.00 C ATOM 1480 C VAL A 96 -4.246 0.928 10.756 1.00 0.00 C ATOM 1481 O VAL A 96 -4.661 1.989 10.292 1.00 0.00 O ATOM 1482 CB VAL A 96 -4.225 -0.246 8.491 1.00 0.00 C ATOM 1483 CG1 VAL A 96 -3.046 0.683 8.196 1.00 0.00 C ATOM 1484 CG2 VAL A 96 -4.021 -1.615 7.839 1.00 0.00 C ATOM 0 H VAL A 96 -6.538 -0.213 10.076 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.704 -1.091 10.362 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.120 0.202 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.907 0.764 7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.248 1.670 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.141 0.277 8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.863 -1.488 6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.151 -2.102 8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.904 -2.232 8.004 1.00 0.00 H new ATOM 1494 N ILE A 97 -3.605 0.814 11.910 1.00 0.00 N ATOM 1495 CA ILE A 97 -3.339 1.979 12.737 1.00 0.00 C ATOM 1496 C ILE A 97 -2.022 2.621 12.299 1.00 0.00 C ATOM 1497 O ILE A 97 -1.017 1.932 12.131 1.00 0.00 O ATOM 1498 CB ILE A 97 -3.377 1.603 14.220 1.00 0.00 C ATOM 1499 CG1 ILE A 97 -4.619 0.770 14.543 1.00 0.00 C ATOM 1500 CG2 ILE A 97 -3.274 2.847 15.104 1.00 0.00 C ATOM 1501 CD1 ILE A 97 -5.847 1.665 14.724 1.00 0.00 C ATOM 0 H ILE A 97 -3.262 -0.067 12.292 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.119 2.728 12.601 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.508 0.982 14.437 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.801 0.055 13.741 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.448 0.193 15.452 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.303 2.552 16.153 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.336 3.363 14.898 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.109 3.514 14.892 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.716 1.048 14.953 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.671 2.363 15.543 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.029 2.223 13.805 1.00 0.00 H new ATOM 1513 N CYS A 98 -2.069 3.933 12.125 1.00 0.00 N ATOM 1514 CA CYS A 98 -0.892 4.676 11.709 1.00 0.00 C ATOM 1515 C CYS A 98 -0.556 5.695 12.800 1.00 0.00 C ATOM 1516 O CYS A 98 -1.226 6.719 12.926 1.00 0.00 O ATOM 1517 CB CYS A 98 -1.096 5.345 10.348 1.00 0.00 C ATOM 1518 SG CYS A 98 0.278 6.504 10.007 1.00 0.00 S ATOM 0 H CYS A 98 -2.904 4.501 12.265 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.054 3.991 11.582 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.146 4.588 9.566 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -2.045 5.880 10.335 1.00 0.00 H new ATOM 0 HG CYS A 98 0.938 6.099 8.963 1.00 0.00 H new ATOM 1524 N TYR A 99 0.481 5.378 13.562 1.00 0.00 N ATOM 1525 CA TYR A 99 0.914 6.253 14.638 1.00 0.00 C ATOM 1526 C TYR A 99 2.437 6.397 14.649 1.00 0.00 C ATOM 1527 O TYR A 99 3.136 5.694 13.920 1.00 0.00 O ATOM 1528 CB TYR A 99 0.469 5.576 15.936 1.00 0.00 C ATOM 1529 CG TYR A 99 1.334 4.382 16.344 1.00 0.00 C ATOM 1530 CD1 TYR A 99 1.281 3.211 15.616 1.00 0.00 C ATOM 1531 CD2 TYR A 99 2.168 4.477 17.440 1.00 0.00 C ATOM 1532 CE1 TYR A 99 2.095 2.087 16.001 1.00 0.00 C ATOM 1533 CE2 TYR A 99 2.982 3.353 17.824 1.00 0.00 C ATOM 1534 CZ TYR A 99 2.905 2.213 17.086 1.00 0.00 C ATOM 1535 OH TYR A 99 3.675 1.152 17.448 1.00 0.00 O ATOM 0 H TYR A 99 1.034 4.527 13.455 1.00 0.00 H new ATOM 0 HA TYR A 99 0.488 7.249 14.518 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.481 6.312 16.740 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.563 5.243 15.825 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.629 3.137 14.758 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.210 5.394 18.009 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.063 1.164 15.440 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.639 3.414 18.679 1.00 0.00 H new ATOM 0 HH TYR A 99 4.203 1.386 18.240 1.00 0.00 H new