USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 699 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 76 THR OG1 : rot 28:sc= 0.816 USER MOD Set 1.2: A 90 SER OG : rot 60:sc= 0.141 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -3.43! C(o=-3.4!,f=-5!) USER MOD Single : A 27 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.3!) USER MOD Single : A 29 ASN : amide:sc= -0.0174 K(o=-0.017,f=-0.62) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 32:sc= 0.192 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.71 USER MOD Single : A 43 TYR OH : rot 81:sc= 0.0804 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -0.0516 (180deg=-0.307) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -56:sc= 0.296 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00768) USER MOD Single : A 75 HIS : no HD1:sc= -2.39! K(o=-2.4!,f=-3) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.15! K(o=-2.1!,f=-0.98) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.487 K(o=-0.49,f=-2.3!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 104 MET CE :methyl -179:sc= -0.747 (180deg=-0.753) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.821 -0.849 12.914 1.00 0.00 N ATOM 105 CA VAL A 11 -0.784 -1.686 11.721 1.00 0.00 C ATOM 106 C VAL A 11 -2.165 -1.799 11.086 1.00 0.00 C ATOM 107 O VAL A 11 -3.175 -1.898 11.783 1.00 0.00 O ATOM 108 CB VAL A 11 -0.261 -3.099 12.043 1.00 0.00 C ATOM 109 CG1 VAL A 11 -1.184 -3.798 13.030 1.00 0.00 C ATOM 110 CG2 VAL A 11 -0.115 -3.916 10.768 1.00 0.00 C ATOM 0 HA VAL A 11 -0.103 -1.206 11.018 1.00 0.00 H new ATOM 0 HB VAL A 11 0.723 -3.007 12.504 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.799 -4.795 13.245 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.234 -3.221 13.953 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.182 -3.880 12.599 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.255 -4.911 11.014 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.085 -4.001 10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.589 -3.422 10.098 1.00 0.00 H new ATOM 120 N THR A 12 -2.202 -1.785 9.757 1.00 0.00 N ATOM 121 CA THR A 12 -3.459 -1.885 9.027 1.00 0.00 C ATOM 122 C THR A 12 -3.811 -3.339 8.735 1.00 0.00 C ATOM 123 O THR A 12 -4.909 -3.798 9.050 1.00 0.00 O ATOM 124 CB THR A 12 -3.401 -1.106 7.699 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.927 0.225 7.932 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.772 -1.054 7.042 1.00 0.00 C ATOM 0 H THR A 12 -1.375 -1.705 9.165 1.00 0.00 H new ATOM 0 HA THR A 12 -4.229 -1.448 9.663 1.00 0.00 H new ATOM 0 HB THR A 12 -2.714 -1.624 7.029 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.891 0.713 7.083 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.706 -0.499 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.117 -2.068 6.839 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.477 -0.558 7.709 1.00 0.00 H new ATOM 134 N LYS A 13 -2.873 -4.060 8.132 1.00 0.00 N ATOM 135 CA LYS A 13 -3.082 -5.464 7.799 1.00 0.00 C ATOM 136 C LYS A 13 -1.763 -6.229 7.811 1.00 0.00 C ATOM 137 O LYS A 13 -0.698 -5.652 7.591 1.00 0.00 O ATOM 138 CB LYS A 13 -3.745 -5.591 6.425 1.00 0.00 C ATOM 139 CG LYS A 13 -4.315 -6.971 6.149 1.00 0.00 C ATOM 140 CD LYS A 13 -5.360 -6.933 5.047 1.00 0.00 C ATOM 141 CE LYS A 13 -5.820 -8.332 4.666 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.791 -8.884 5.652 1.00 0.00 N ATOM 0 H LYS A 13 -1.959 -3.695 7.863 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.739 -5.896 8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.545 -4.855 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.013 -5.349 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.509 -7.648 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.760 -7.371 7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.216 -6.344 5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.948 -6.433 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.280 -8.307 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.956 -8.993 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.081 -9.838 5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.344 -8.932 6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.627 -8.267 5.698 1.00 0.00 H new ATOM 156 N ALA A 14 -1.840 -7.531 8.068 1.00 0.00 N ATOM 157 CA ALA A 14 -0.652 -8.375 8.104 1.00 0.00 C ATOM 158 C ALA A 14 -1.010 -9.837 7.859 1.00 0.00 C ATOM 159 O ALA A 14 -1.996 -10.343 8.393 1.00 0.00 O ATOM 160 CB ALA A 14 0.063 -8.221 9.438 1.00 0.00 C ATOM 0 H ALA A 14 -2.713 -8.024 8.254 1.00 0.00 H new ATOM 0 HA ALA A 14 0.017 -8.054 7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.948 -8.857 9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.361 -7.181 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.607 -8.515 10.246 1.00 0.00 H new ATOM 166 N GLY A 15 -0.201 -10.511 7.047 1.00 0.00 N ATOM 167 CA GLY A 15 -0.450 -11.908 6.745 1.00 0.00 C ATOM 168 C GLY A 15 0.583 -12.489 5.799 1.00 0.00 C ATOM 169 O GLY A 15 1.387 -11.758 5.222 1.00 0.00 O ATOM 0 H GLY A 15 0.622 -10.114 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.453 -12.482 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.441 -12.010 6.303 1.00 0.00 H new ATOM 173 N TRP A 16 0.562 -13.808 5.642 1.00 0.00 N ATOM 174 CA TRP A 16 1.505 -14.487 4.761 1.00 0.00 C ATOM 175 C TRP A 16 1.093 -14.335 3.301 1.00 0.00 C ATOM 176 O TRP A 16 -0.019 -14.701 2.918 1.00 0.00 O ATOM 177 CB TRP A 16 1.599 -15.970 5.126 1.00 0.00 C ATOM 178 CG TRP A 16 2.236 -16.214 6.460 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.595 -16.406 7.651 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.638 -16.289 6.740 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.515 -16.597 8.654 1.00 0.00 N ATOM 182 CE2 TRP A 16 3.775 -16.531 8.121 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.791 -16.179 5.958 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.018 -16.662 8.734 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.024 -16.309 6.568 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.130 -16.549 7.944 1.00 0.00 C ATOM 0 H TRP A 16 -0.097 -14.428 6.113 1.00 0.00 H new ATOM 0 HA TRP A 16 2.483 -14.025 4.892 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.598 -16.401 5.125 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.171 -16.490 4.358 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.523 -16.407 7.785 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.295 -16.761 9.636 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.720 -15.996 4.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.102 -16.846 9.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.922 -16.224 5.974 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.109 -16.647 8.390 1.00 0.00 H new ATOM 197 N LEU A 17 1.995 -13.795 2.489 1.00 0.00 N ATOM 198 CA LEU A 17 1.724 -13.595 1.070 1.00 0.00 C ATOM 199 C LEU A 17 2.898 -14.069 0.219 1.00 0.00 C ATOM 200 O LEU A 17 4.050 -13.727 0.486 1.00 0.00 O ATOM 201 CB LEU A 17 1.439 -12.118 0.787 1.00 0.00 C ATOM 202 CG LEU A 17 0.005 -11.652 1.037 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.079 -10.134 0.991 1.00 0.00 C ATOM 204 CD2 LEU A 17 -0.942 -12.271 0.019 1.00 0.00 C ATOM 0 H LEU A 17 2.920 -13.488 2.789 1.00 0.00 H new ATOM 0 HA LEU A 17 0.846 -14.185 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.108 -11.515 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.690 -11.913 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.296 -11.982 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.107 -9.821 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.569 -9.710 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.241 -9.781 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.958 -11.928 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.643 -11.972 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.904 -13.357 0.100 1.00 0.00 H new ATOM 216 N PHE A 18 2.598 -14.858 -0.807 1.00 0.00 N ATOM 217 CA PHE A 18 3.628 -15.379 -1.698 1.00 0.00 C ATOM 218 C PHE A 18 4.047 -14.326 -2.720 1.00 0.00 C ATOM 219 O PHE A 18 3.250 -13.906 -3.559 1.00 0.00 O ATOM 220 CB PHE A 18 3.124 -16.632 -2.418 1.00 0.00 C ATOM 221 CG PHE A 18 3.011 -17.832 -1.522 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.222 -17.792 -0.384 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.693 -19.001 -1.820 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.117 -18.896 0.442 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.591 -20.108 -0.998 1.00 0.00 C ATOM 226 CZ PHE A 18 2.802 -20.055 0.134 1.00 0.00 C ATOM 0 H PHE A 18 1.650 -15.151 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 18 4.497 -15.640 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.148 -16.422 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.799 -16.865 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.683 -16.889 -0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.311 -19.048 -2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.500 -18.852 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.128 -21.013 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.721 -20.919 0.778 1.00 0.00 H new ATOM 236 N LYS A 19 5.304 -13.902 -2.643 1.00 0.00 N ATOM 237 CA LYS A 19 5.831 -12.899 -3.560 1.00 0.00 C ATOM 238 C LYS A 19 6.459 -13.557 -4.784 1.00 0.00 C ATOM 239 O LYS A 19 7.327 -14.420 -4.658 1.00 0.00 O ATOM 240 CB LYS A 19 6.868 -12.024 -2.850 1.00 0.00 C ATOM 241 CG LYS A 19 6.985 -10.626 -3.432 1.00 0.00 C ATOM 242 CD LYS A 19 8.261 -9.938 -2.977 1.00 0.00 C ATOM 243 CE LYS A 19 8.278 -8.472 -3.384 1.00 0.00 C ATOM 244 NZ LYS A 19 8.873 -8.279 -4.735 1.00 0.00 N ATOM 0 H LYS A 19 5.977 -14.238 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 19 5.002 -12.274 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.606 -11.948 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.841 -12.513 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.969 -10.681 -4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.123 -10.032 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.352 -10.017 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.124 -10.447 -3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.261 -8.081 -3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.846 -7.898 -2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.866 -7.267 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.852 -8.629 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.316 -8.806 -5.438 1.00 0.00 H new ATOM 258 N GLN A 20 6.015 -13.142 -5.966 1.00 0.00 N ATOM 259 CA GLN A 20 6.535 -13.692 -7.213 1.00 0.00 C ATOM 260 C GLN A 20 8.017 -13.372 -7.372 1.00 0.00 C ATOM 261 O GLN A 20 8.446 -12.241 -7.144 1.00 0.00 O ATOM 262 CB GLN A 20 5.750 -13.141 -8.404 1.00 0.00 C ATOM 263 CG GLN A 20 6.242 -13.656 -9.747 1.00 0.00 C ATOM 264 CD GLN A 20 5.152 -13.672 -10.801 1.00 0.00 C ATOM 265 OE1 GLN A 20 4.303 -14.563 -10.818 1.00 0.00 O ATOM 266 NE2 GLN A 20 5.170 -12.684 -11.687 1.00 0.00 N ATOM 0 H GLN A 20 5.297 -12.428 -6.087 1.00 0.00 H new ATOM 0 HA GLN A 20 6.418 -14.775 -7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.698 -13.402 -8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.811 -12.053 -8.397 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.066 -13.031 -10.092 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.637 -14.664 -9.623 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.893 -11.966 -11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.461 -12.643 -12.419 1.00 0.00 H new ATOM 275 N ALA A 21 8.795 -14.375 -7.766 1.00 0.00 N ATOM 276 CA ALA A 21 10.230 -14.199 -7.958 1.00 0.00 C ATOM 277 C ALA A 21 10.531 -13.595 -9.325 1.00 0.00 C ATOM 278 O ALA A 21 10.688 -14.314 -10.311 1.00 0.00 O ATOM 279 CB ALA A 21 10.950 -15.530 -7.796 1.00 0.00 C ATOM 0 H ALA A 21 8.456 -15.318 -7.958 1.00 0.00 H new ATOM 0 HA ALA A 21 10.592 -13.507 -7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.020 -15.385 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.770 -15.922 -6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.576 -16.238 -8.535 1.00 0.00 H new ATOM 352 N GLN A 27 9.544 -18.408 -10.258 1.00 0.00 N ATOM 353 CA GLN A 27 8.928 -19.171 -9.179 1.00 0.00 C ATOM 354 C GLN A 27 8.277 -18.243 -8.158 1.00 0.00 C ATOM 355 O GLN A 27 8.350 -17.020 -8.282 1.00 0.00 O ATOM 356 CB GLN A 27 9.970 -20.054 -8.490 1.00 0.00 C ATOM 357 CG GLN A 27 10.948 -19.278 -7.623 1.00 0.00 C ATOM 358 CD GLN A 27 11.539 -20.122 -6.511 1.00 0.00 C ATOM 359 OE1 GLN A 27 10.879 -21.012 -5.973 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.790 -19.848 -6.161 1.00 0.00 N ATOM 0 HA GLN A 27 8.154 -19.805 -9.613 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.458 -20.792 -7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.527 -20.604 -9.249 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.753 -18.891 -8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.439 -18.417 -7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.300 -19.102 -6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.241 -20.384 -5.420 1.00 0.00 H new ATOM 369 N TRP A 28 7.642 -18.831 -7.152 1.00 0.00 N ATOM 370 CA TRP A 28 6.978 -18.056 -6.110 1.00 0.00 C ATOM 371 C TRP A 28 7.473 -18.466 -4.727 1.00 0.00 C ATOM 372 O TRP A 28 7.626 -19.652 -4.440 1.00 0.00 O ATOM 373 CB TRP A 28 5.462 -18.239 -6.197 1.00 0.00 C ATOM 374 CG TRP A 28 4.830 -17.444 -7.300 1.00 0.00 C ATOM 375 CD1 TRP A 28 5.050 -17.583 -8.641 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.876 -16.386 -7.155 1.00 0.00 C ATOM 377 NE1 TRP A 28 4.291 -16.675 -9.338 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.561 -15.930 -8.450 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.256 -15.782 -6.059 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.655 -14.897 -8.675 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.357 -14.756 -6.284 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.063 -14.323 -7.583 1.00 0.00 C ATOM 0 H TRP A 28 7.572 -19.842 -7.035 1.00 0.00 H new ATOM 0 HA TRP A 28 7.220 -17.004 -6.265 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.239 -19.295 -6.346 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.013 -17.949 -5.247 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.722 -18.301 -9.087 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.274 -16.572 -10.353 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.475 -16.110 -5.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.428 -14.561 -9.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.873 -14.280 -5.444 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.355 -13.520 -7.726 1.00 0.00 H new ATOM 393 N ASN A 29 7.721 -17.476 -3.875 1.00 0.00 N ATOM 394 CA ASN A 29 8.199 -17.735 -2.522 1.00 0.00 C ATOM 395 C ASN A 29 7.249 -17.142 -1.486 1.00 0.00 C ATOM 396 O ASN A 29 6.516 -16.194 -1.770 1.00 0.00 O ATOM 397 CB ASN A 29 9.602 -17.155 -2.335 1.00 0.00 C ATOM 398 CG ASN A 29 10.669 -17.990 -3.017 1.00 0.00 C ATOM 399 OD1 ASN A 29 10.632 -19.220 -2.973 1.00 0.00 O ATOM 400 ND2 ASN A 29 11.627 -17.323 -3.650 1.00 0.00 N ATOM 0 H ASN A 29 7.599 -16.488 -4.098 1.00 0.00 H new ATOM 0 HA ASN A 29 8.237 -18.815 -2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.629 -16.141 -2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.824 -17.085 -1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.373 -17.831 -4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.617 -16.303 -3.660 1.00 0.00 H new ATOM 407 N LYS A 30 7.267 -17.706 -0.283 1.00 0.00 N ATOM 408 CA LYS A 30 6.409 -17.233 0.797 1.00 0.00 C ATOM 409 C LYS A 30 7.145 -16.225 1.674 1.00 0.00 C ATOM 410 O LYS A 30 8.338 -16.375 1.941 1.00 0.00 O ATOM 411 CB LYS A 30 5.928 -18.411 1.647 1.00 0.00 C ATOM 412 CG LYS A 30 5.025 -18.002 2.798 1.00 0.00 C ATOM 413 CD LYS A 30 4.633 -19.196 3.651 1.00 0.00 C ATOM 414 CE LYS A 30 3.391 -18.906 4.480 1.00 0.00 C ATOM 415 NZ LYS A 30 2.959 -20.095 5.266 1.00 0.00 N ATOM 0 H LYS A 30 7.867 -18.492 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 30 5.546 -16.738 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.393 -19.114 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.795 -18.938 2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.535 -17.263 3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.128 -17.524 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.450 -20.058 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.459 -19.459 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.592 -18.076 5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.581 -18.591 3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.110 -19.857 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.743 -20.879 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.723 -20.380 5.912 1.00 0.00 H new ATOM 429 N ARG A 31 6.426 -15.201 2.122 1.00 0.00 N ATOM 430 CA ARG A 31 7.012 -14.169 2.970 1.00 0.00 C ATOM 431 C ARG A 31 5.937 -13.475 3.802 1.00 0.00 C ATOM 432 O ARG A 31 4.770 -13.429 3.413 1.00 0.00 O ATOM 433 CB ARG A 31 7.756 -13.140 2.117 1.00 0.00 C ATOM 434 CG ARG A 31 8.797 -12.347 2.891 1.00 0.00 C ATOM 435 CD ARG A 31 10.137 -13.065 2.919 1.00 0.00 C ATOM 436 NE ARG A 31 10.101 -14.259 3.759 1.00 0.00 N ATOM 437 CZ ARG A 31 10.945 -15.276 3.628 1.00 0.00 C ATOM 438 NH1 ARG A 31 11.887 -15.243 2.695 1.00 0.00 N ATOM 439 NH2 ARG A 31 10.849 -16.328 4.430 1.00 0.00 N ATOM 0 H ARG A 31 5.437 -15.064 1.912 1.00 0.00 H new ATOM 0 HA ARG A 31 7.719 -14.648 3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.244 -13.652 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.033 -12.449 1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.919 -11.364 2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.448 -12.185 3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.420 -13.344 1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.905 -12.385 3.288 1.00 0.00 H new ATOM 0 HE ARG A 31 9.388 -14.315 4.487 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.964 -14.436 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.534 -16.025 2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.126 -16.357 5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.498 -17.108 4.328 1.00 0.00 H new ATOM 453 N TRP A 32 6.340 -12.937 4.947 1.00 0.00 N ATOM 454 CA TRP A 32 5.411 -12.246 5.834 1.00 0.00 C ATOM 455 C TRP A 32 5.253 -10.785 5.426 1.00 0.00 C ATOM 456 O TRP A 32 6.198 -10.001 5.509 1.00 0.00 O ATOM 457 CB TRP A 32 5.896 -12.333 7.282 1.00 0.00 C ATOM 458 CG TRP A 32 4.953 -11.705 8.264 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.160 -10.564 8.984 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.656 -12.185 8.633 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.070 -10.305 9.779 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.133 -11.285 9.582 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.884 -13.287 8.254 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.876 -11.455 10.155 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.637 -13.454 8.824 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.142 -12.542 9.765 1.00 0.00 C ATOM 0 H TRP A 32 7.303 -12.966 5.283 1.00 0.00 H new ATOM 0 HA TRP A 32 4.440 -12.734 5.753 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.040 -13.380 7.547 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.869 -11.847 7.362 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.050 -9.954 8.936 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.974 -9.512 10.413 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.256 -13.995 7.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.493 -10.754 10.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.033 -14.303 8.539 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.162 -12.700 10.191 1.00 0.00 H new ATOM 477 N PHE A 33 4.052 -10.426 4.984 1.00 0.00 N ATOM 478 CA PHE A 33 3.771 -9.059 4.561 1.00 0.00 C ATOM 479 C PHE A 33 2.908 -8.338 5.592 1.00 0.00 C ATOM 480 O PHE A 33 1.981 -8.918 6.158 1.00 0.00 O ATOM 481 CB PHE A 33 3.069 -9.057 3.201 1.00 0.00 C ATOM 482 CG PHE A 33 4.015 -9.153 2.039 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.454 -10.387 1.586 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.465 -8.010 1.399 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.324 -10.479 0.516 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.335 -8.096 0.328 1.00 0.00 C ATOM 487 CZ PHE A 33 5.766 -9.331 -0.113 1.00 0.00 C ATOM 0 H PHE A 33 3.258 -11.062 4.910 1.00 0.00 H new ATOM 0 HA PHE A 33 4.720 -8.530 4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.370 -9.893 3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.481 -8.144 3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.112 -11.287 2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.133 -7.041 1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.658 -11.447 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.677 -7.197 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.447 -9.400 -0.948 1.00 0.00 H new ATOM 497 N VAL A 34 3.220 -7.068 5.832 1.00 0.00 N ATOM 498 CA VAL A 34 2.474 -6.266 6.795 1.00 0.00 C ATOM 499 C VAL A 34 2.159 -4.884 6.232 1.00 0.00 C ATOM 500 O VAL A 34 3.029 -4.014 6.171 1.00 0.00 O ATOM 501 CB VAL A 34 3.251 -6.106 8.115 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.530 -5.144 9.046 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.451 -7.458 8.782 1.00 0.00 C ATOM 0 H VAL A 34 3.984 -6.573 5.373 1.00 0.00 H new ATOM 0 HA VAL A 34 1.542 -6.796 6.993 1.00 0.00 H new ATOM 0 HB VAL A 34 4.233 -5.689 7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.094 -5.044 9.973 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.444 -4.169 8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.534 -5.529 9.267 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.002 -7.326 9.713 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.480 -7.906 8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.014 -8.112 8.117 1.00 0.00 H new ATOM 513 N LEU A 35 0.911 -4.689 5.822 1.00 0.00 N ATOM 514 CA LEU A 35 0.480 -3.412 5.264 1.00 0.00 C ATOM 515 C LEU A 35 0.625 -2.293 6.290 1.00 0.00 C ATOM 516 O LEU A 35 0.142 -2.403 7.417 1.00 0.00 O ATOM 517 CB LEU A 35 -0.973 -3.502 4.794 1.00 0.00 C ATOM 518 CG LEU A 35 -1.658 -2.174 4.470 1.00 0.00 C ATOM 519 CD1 LEU A 35 -1.032 -1.537 3.239 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.152 -2.380 4.266 1.00 0.00 C ATOM 0 H LEU A 35 0.180 -5.399 5.865 1.00 0.00 H new ATOM 0 HA LEU A 35 1.118 -3.183 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.008 -4.132 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.553 -4.008 5.566 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.517 -1.499 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.532 -0.593 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.027 -1.353 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.141 -2.208 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.623 -1.424 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.314 -3.072 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.590 -2.791 5.175 1.00 0.00 H new ATOM 532 N VAL A 36 1.292 -1.214 5.892 1.00 0.00 N ATOM 533 CA VAL A 36 1.498 -0.073 6.775 1.00 0.00 C ATOM 534 C VAL A 36 0.950 1.208 6.156 1.00 0.00 C ATOM 535 O VAL A 36 0.438 1.198 5.036 1.00 0.00 O ATOM 536 CB VAL A 36 2.991 0.125 7.099 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.650 1.016 6.057 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.161 0.705 8.494 1.00 0.00 C ATOM 0 H VAL A 36 1.699 -1.107 4.963 1.00 0.00 H new ATOM 0 HA VAL A 36 0.959 -0.287 7.698 1.00 0.00 H new ATOM 0 HB VAL A 36 3.483 -0.847 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.704 1.145 6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.560 0.554 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.159 1.989 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.222 0.838 8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.656 1.669 8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.727 0.024 9.226 1.00 0.00 H new ATOM 548 N ASP A 37 1.062 2.309 6.890 1.00 0.00 N ATOM 549 CA ASP A 37 0.579 3.599 6.413 1.00 0.00 C ATOM 550 C ASP A 37 0.996 3.833 4.964 1.00 0.00 C ATOM 551 O ASP A 37 2.184 3.929 4.657 1.00 0.00 O ATOM 552 CB ASP A 37 1.112 4.727 7.298 1.00 0.00 C ATOM 553 CG ASP A 37 2.627 4.752 7.354 1.00 0.00 C ATOM 554 OD1 ASP A 37 3.206 3.956 8.122 1.00 0.00 O ATOM 555 OD2 ASP A 37 3.234 5.569 6.630 1.00 0.00 O ATOM 0 H ASP A 37 1.483 2.334 7.819 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.510 3.592 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.749 5.683 6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.716 4.612 8.307 1.00 0.00 H new ATOM 560 N ARG A 38 0.010 3.922 4.077 1.00 0.00 N ATOM 561 CA ARG A 38 0.274 4.142 2.660 1.00 0.00 C ATOM 562 C ARG A 38 1.564 3.447 2.233 1.00 0.00 C ATOM 563 O ARG A 38 2.280 3.929 1.356 1.00 0.00 O ATOM 564 CB ARG A 38 0.368 5.640 2.364 1.00 0.00 C ATOM 565 CG ARG A 38 -0.979 6.344 2.353 1.00 0.00 C ATOM 566 CD ARG A 38 -0.920 7.647 1.571 1.00 0.00 C ATOM 567 NE ARG A 38 -2.251 8.131 1.213 1.00 0.00 N ATOM 568 CZ ARG A 38 -2.480 8.993 0.229 1.00 0.00 C ATOM 569 NH1 ARG A 38 -1.471 9.463 -0.492 1.00 0.00 N ATOM 570 NH2 ARG A 38 -3.719 9.386 -0.036 1.00 0.00 N ATOM 0 H ARG A 38 -0.979 3.845 4.315 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.553 3.717 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.008 6.110 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.850 5.781 1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.730 5.688 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.293 6.547 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.407 8.403 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.332 7.500 0.665 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.049 7.788 1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.517 9.162 -0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.649 10.125 -1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.497 9.026 0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.893 10.048 -0.792 1.00 0.00 H new ATOM 584 N CYS A 39 1.853 2.312 2.860 1.00 0.00 N ATOM 585 CA CYS A 39 3.056 1.550 2.547 1.00 0.00 C ATOM 586 C CYS A 39 2.871 0.075 2.889 1.00 0.00 C ATOM 587 O CYS A 39 1.834 -0.325 3.419 1.00 0.00 O ATOM 588 CB CYS A 39 4.256 2.116 3.308 1.00 0.00 C ATOM 589 SG CYS A 39 5.163 3.397 2.410 1.00 0.00 S ATOM 0 H CYS A 39 1.270 1.899 3.588 1.00 0.00 H new ATOM 0 HA CYS A 39 3.241 1.635 1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.910 2.528 4.256 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.939 1.301 3.545 1.00 0.00 H new ATOM 0 HG CYS A 39 4.339 4.070 1.663 1.00 0.00 H new ATOM 595 N LEU A 40 3.882 -0.729 2.581 1.00 0.00 N ATOM 596 CA LEU A 40 3.831 -2.162 2.854 1.00 0.00 C ATOM 597 C LEU A 40 5.231 -2.724 3.075 1.00 0.00 C ATOM 598 O LEU A 40 6.126 -2.532 2.251 1.00 0.00 O ATOM 599 CB LEU A 40 3.150 -2.897 1.699 1.00 0.00 C ATOM 600 CG LEU A 40 3.274 -4.421 1.707 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.667 -4.999 2.976 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.609 -5.017 0.475 1.00 0.00 C ATOM 0 H LEU A 40 4.747 -0.414 2.142 1.00 0.00 H new ATOM 0 HA LEU A 40 3.251 -2.313 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.091 -2.639 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.564 -2.524 0.763 1.00 0.00 H new ATOM 0 HG LEU A 40 4.332 -4.681 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.764 -6.085 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.189 -4.597 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.612 -4.730 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.707 -6.102 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.553 -4.748 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.090 -4.628 -0.422 1.00 0.00 H new ATOM 614 N PHE A 41 5.414 -3.422 4.191 1.00 0.00 N ATOM 615 CA PHE A 41 6.705 -4.015 4.520 1.00 0.00 C ATOM 616 C PHE A 41 6.617 -5.538 4.533 1.00 0.00 C ATOM 617 O PHE A 41 5.531 -6.107 4.645 1.00 0.00 O ATOM 618 CB PHE A 41 7.191 -3.508 5.879 1.00 0.00 C ATOM 619 CG PHE A 41 7.647 -2.078 5.858 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.875 -1.736 5.313 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.849 -1.074 6.382 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.297 -0.421 5.293 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.266 0.244 6.365 1.00 0.00 C ATOM 624 CZ PHE A 41 8.492 0.571 5.818 1.00 0.00 C ATOM 0 H PHE A 41 4.684 -3.591 4.883 1.00 0.00 H new ATOM 0 HA PHE A 41 7.420 -3.718 3.753 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.386 -3.613 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.013 -4.138 6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.509 -2.506 4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.889 -1.324 6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.257 -0.168 4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.635 1.017 6.778 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.820 1.600 5.801 1.00 0.00 H new ATOM 634 N TYR A 42 7.767 -6.192 4.418 1.00 0.00 N ATOM 635 CA TYR A 42 7.821 -7.649 4.414 1.00 0.00 C ATOM 636 C TYR A 42 9.036 -8.152 5.189 1.00 0.00 C ATOM 637 O TYR A 42 10.117 -7.568 5.118 1.00 0.00 O ATOM 638 CB TYR A 42 7.865 -8.175 2.979 1.00 0.00 C ATOM 639 CG TYR A 42 9.151 -7.847 2.253 1.00 0.00 C ATOM 640 CD1 TYR A 42 9.301 -6.645 1.574 1.00 0.00 C ATOM 641 CD2 TYR A 42 10.215 -8.741 2.246 1.00 0.00 C ATOM 642 CE1 TYR A 42 10.473 -6.341 0.909 1.00 0.00 C ATOM 643 CE2 TYR A 42 11.391 -8.445 1.585 1.00 0.00 C ATOM 644 CZ TYR A 42 11.516 -7.245 0.918 1.00 0.00 C ATOM 645 OH TYR A 42 12.685 -6.947 0.257 1.00 0.00 O ATOM 0 H TYR A 42 8.675 -5.736 4.326 1.00 0.00 H new ATOM 0 HA TYR A 42 6.921 -8.021 4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.731 -9.257 2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.026 -7.757 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.487 -5.935 1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.121 -9.683 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.573 -5.402 0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 42 12.209 -9.150 1.591 1.00 0.00 H new ATOM 0 HH TYR A 42 13.318 -7.688 0.362 1.00 0.00 H new ATOM 655 N TYR A 43 8.848 -9.239 5.929 1.00 0.00 N ATOM 656 CA TYR A 43 9.927 -9.820 6.720 1.00 0.00 C ATOM 657 C TYR A 43 10.028 -11.324 6.480 1.00 0.00 C ATOM 658 O TYR A 43 9.087 -11.952 5.995 1.00 0.00 O ATOM 659 CB TYR A 43 9.703 -9.544 8.207 1.00 0.00 C ATOM 660 CG TYR A 43 9.193 -8.150 8.494 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.888 -7.788 8.184 1.00 0.00 C ATOM 662 CD2 TYR A 43 10.016 -7.194 9.077 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.418 -6.515 8.443 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.555 -5.919 9.341 1.00 0.00 C ATOM 665 CZ TYR A 43 8.255 -5.584 9.022 1.00 0.00 C ATOM 666 OH TYR A 43 7.791 -4.316 9.284 1.00 0.00 O ATOM 0 H TYR A 43 7.960 -9.735 5.998 1.00 0.00 H new ATOM 0 HA TYR A 43 10.863 -9.356 6.408 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.991 -10.270 8.599 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.641 -9.696 8.741 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.229 -8.515 7.732 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.034 -7.453 9.328 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.401 -6.250 8.194 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.208 -5.188 9.795 1.00 0.00 H new ATOM 0 HH TYR A 43 7.274 -4.322 10.116 1.00 0.00 H new ATOM 676 N LYS A 44 11.177 -11.895 6.825 1.00 0.00 N ATOM 677 CA LYS A 44 11.404 -13.324 6.650 1.00 0.00 C ATOM 678 C LYS A 44 10.236 -14.133 7.205 1.00 0.00 C ATOM 679 O LYS A 44 9.734 -15.046 6.549 1.00 0.00 O ATOM 680 CB LYS A 44 12.703 -13.744 7.344 1.00 0.00 C ATOM 681 CG LYS A 44 13.950 -13.154 6.708 1.00 0.00 C ATOM 682 CD LYS A 44 14.424 -13.991 5.531 1.00 0.00 C ATOM 683 CE LYS A 44 15.155 -13.141 4.503 1.00 0.00 C ATOM 684 NZ LYS A 44 16.590 -12.954 4.856 1.00 0.00 N ATOM 0 H LYS A 44 11.966 -11.389 7.228 1.00 0.00 H new ATOM 0 HA LYS A 44 11.488 -13.524 5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.661 -13.441 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.778 -14.831 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.743 -12.138 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.743 -13.089 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.085 -14.781 5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.569 -14.478 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.081 -13.613 3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.670 -12.168 4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.053 -12.369 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.662 -12.481 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.059 -13.881 4.905 1.00 0.00 H new ATOM 698 N ASP A 45 9.806 -13.790 8.414 1.00 0.00 N ATOM 699 CA ASP A 45 8.694 -14.482 9.055 1.00 0.00 C ATOM 700 C ASP A 45 7.904 -13.531 9.948 1.00 0.00 C ATOM 701 O ASP A 45 8.219 -12.345 10.038 1.00 0.00 O ATOM 702 CB ASP A 45 9.208 -15.665 9.878 1.00 0.00 C ATOM 703 CG ASP A 45 10.387 -16.358 9.222 1.00 0.00 C ATOM 704 OD1 ASP A 45 11.471 -15.743 9.151 1.00 0.00 O ATOM 705 OD2 ASP A 45 10.224 -17.514 8.779 1.00 0.00 O ATOM 0 H ASP A 45 10.211 -13.037 8.970 1.00 0.00 H new ATOM 0 HA ASP A 45 8.031 -14.853 8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.501 -15.315 10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.401 -16.384 10.020 1.00 0.00 H new ATOM 710 N GLU A 46 6.876 -14.060 10.605 1.00 0.00 N ATOM 711 CA GLU A 46 6.040 -13.256 11.489 1.00 0.00 C ATOM 712 C GLU A 46 6.889 -12.530 12.528 1.00 0.00 C ATOM 713 O GLU A 46 6.675 -11.349 12.806 1.00 0.00 O ATOM 714 CB GLU A 46 5.003 -14.138 12.187 1.00 0.00 C ATOM 715 CG GLU A 46 5.611 -15.167 13.125 1.00 0.00 C ATOM 716 CD GLU A 46 5.899 -14.602 14.502 1.00 0.00 C ATOM 717 OE1 GLU A 46 5.276 -13.585 14.869 1.00 0.00 O ATOM 718 OE2 GLU A 46 6.749 -15.179 15.213 1.00 0.00 O ATOM 0 H GLU A 46 6.603 -15.041 10.542 1.00 0.00 H new ATOM 0 HA GLU A 46 5.524 -12.512 10.883 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.320 -13.503 12.751 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.409 -14.653 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.932 -16.014 13.219 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.536 -15.547 12.691 1.00 0.00 H new ATOM 725 N LYS A 47 7.852 -13.244 13.101 1.00 0.00 N ATOM 726 CA LYS A 47 8.734 -12.670 14.110 1.00 0.00 C ATOM 727 C LYS A 47 9.050 -11.212 13.790 1.00 0.00 C ATOM 728 O LYS A 47 9.037 -10.357 14.675 1.00 0.00 O ATOM 729 CB LYS A 47 10.032 -13.476 14.200 1.00 0.00 C ATOM 730 CG LYS A 47 9.818 -14.933 14.571 1.00 0.00 C ATOM 731 CD LYS A 47 9.643 -15.107 16.070 1.00 0.00 C ATOM 732 CE LYS A 47 10.982 -15.275 16.772 1.00 0.00 C ATOM 733 NZ LYS A 47 11.626 -16.575 16.434 1.00 0.00 N ATOM 0 H LYS A 47 8.042 -14.222 12.883 1.00 0.00 H new ATOM 0 HA LYS A 47 8.221 -12.710 15.071 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.548 -13.426 13.241 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.686 -13.014 14.939 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.938 -15.315 14.054 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.669 -15.524 14.232 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.122 -14.241 16.479 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.017 -15.977 16.266 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.645 -14.457 16.490 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.837 -15.211 17.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.323 -16.818 17.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.901 -17.319 16.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.104 -16.497 15.513 1.00 0.00 H new ATOM 747 N GLU A 48 9.332 -10.937 12.520 1.00 0.00 N ATOM 748 CA GLU A 48 9.650 -9.582 12.086 1.00 0.00 C ATOM 749 C GLU A 48 11.019 -9.151 12.606 1.00 0.00 C ATOM 750 O GLU A 48 11.182 -8.037 13.103 1.00 0.00 O ATOM 751 CB GLU A 48 8.578 -8.603 12.568 1.00 0.00 C ATOM 752 CG GLU A 48 8.589 -7.275 11.829 1.00 0.00 C ATOM 753 CD GLU A 48 7.622 -6.269 12.422 1.00 0.00 C ATOM 754 OE1 GLU A 48 7.774 -5.931 13.615 1.00 0.00 O ATOM 755 OE2 GLU A 48 6.714 -5.819 11.693 1.00 0.00 O ATOM 0 H GLU A 48 9.347 -11.634 11.775 1.00 0.00 H new ATOM 0 HA GLU A 48 9.675 -9.574 10.996 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.598 -9.065 12.452 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.720 -8.418 13.633 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.597 -6.860 11.850 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.335 -7.444 10.782 1.00 0.00 H new ATOM 762 N GLU A 49 11.998 -10.042 12.487 1.00 0.00 N ATOM 763 CA GLU A 49 13.352 -9.754 12.946 1.00 0.00 C ATOM 764 C GLU A 49 13.814 -8.386 12.454 1.00 0.00 C ATOM 765 O GLU A 49 14.107 -7.494 13.250 1.00 0.00 O ATOM 766 CB GLU A 49 14.319 -10.836 12.461 1.00 0.00 C ATOM 767 CG GLU A 49 14.018 -12.217 13.021 1.00 0.00 C ATOM 768 CD GLU A 49 14.901 -13.294 12.421 1.00 0.00 C ATOM 769 OE1 GLU A 49 14.654 -13.684 11.260 1.00 0.00 O ATOM 770 OE2 GLU A 49 15.837 -13.747 13.111 1.00 0.00 O ATOM 0 H GLU A 49 11.879 -10.968 12.077 1.00 0.00 H new ATOM 0 HA GLU A 49 13.345 -9.745 14.036 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.286 -10.879 11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.335 -10.554 12.738 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.152 -12.204 14.103 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.973 -12.462 12.832 1.00 0.00 H new ATOM 777 N SER A 50 13.876 -8.228 11.135 1.00 0.00 N ATOM 778 CA SER A 50 14.307 -6.970 10.536 1.00 0.00 C ATOM 779 C SER A 50 13.644 -6.760 9.178 1.00 0.00 C ATOM 780 O SER A 50 13.174 -7.711 8.551 1.00 0.00 O ATOM 781 CB SER A 50 15.829 -6.949 10.381 1.00 0.00 C ATOM 782 OG SER A 50 16.247 -7.806 9.334 1.00 0.00 O ATOM 0 H SER A 50 13.633 -8.955 10.462 1.00 0.00 H new ATOM 0 HA SER A 50 14.005 -6.159 11.198 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.163 -5.932 10.177 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.297 -7.257 11.316 1.00 0.00 H new ATOM 0 HG SER A 50 17.223 -7.773 9.254 1.00 0.00 H new ATOM 788 N ILE A 51 13.609 -5.510 8.730 1.00 0.00 N ATOM 789 CA ILE A 51 13.004 -5.175 7.447 1.00 0.00 C ATOM 790 C ILE A 51 13.968 -5.449 6.297 1.00 0.00 C ATOM 791 O ILE A 51 15.121 -5.019 6.323 1.00 0.00 O ATOM 792 CB ILE A 51 12.571 -3.698 7.397 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.588 -3.394 8.529 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.950 -3.373 6.047 1.00 0.00 C ATOM 795 CD1 ILE A 51 11.330 -1.916 8.725 1.00 0.00 C ATOM 0 H ILE A 51 13.993 -4.712 9.237 1.00 0.00 H new ATOM 0 HA ILE A 51 12.123 -5.807 7.339 1.00 0.00 H new ATOM 0 HB ILE A 51 13.453 -3.071 7.529 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.642 -3.895 8.323 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.975 -3.813 9.458 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.649 -2.326 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.679 -3.556 5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.076 -4.004 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.624 -1.775 9.544 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.267 -1.412 8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.913 -1.495 7.810 1.00 0.00 H new ATOM 807 N LEU A 52 13.487 -6.167 5.289 1.00 0.00 N ATOM 808 CA LEU A 52 14.304 -6.498 4.127 1.00 0.00 C ATOM 809 C LEU A 52 14.094 -5.485 3.006 1.00 0.00 C ATOM 810 O LEU A 52 15.052 -4.989 2.415 1.00 0.00 O ATOM 811 CB LEU A 52 13.970 -7.905 3.627 1.00 0.00 C ATOM 812 CG LEU A 52 14.055 -9.024 4.667 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.086 -10.144 4.325 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.478 -9.557 4.761 1.00 0.00 C ATOM 0 H LEU A 52 12.535 -6.531 5.253 1.00 0.00 H new ATOM 0 HA LEU A 52 15.351 -6.465 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.960 -7.893 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.645 -8.147 2.806 1.00 0.00 H new ATOM 0 HG LEU A 52 13.777 -8.614 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.160 -10.931 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.069 -9.753 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.333 -10.552 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.520 -10.352 5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.784 -9.951 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.150 -8.750 5.053 1.00 0.00 H new ATOM 826 N GLY A 53 12.831 -5.181 2.720 1.00 0.00 N ATOM 827 CA GLY A 53 12.517 -4.227 1.672 1.00 0.00 C ATOM 828 C GLY A 53 11.222 -3.485 1.933 1.00 0.00 C ATOM 829 O GLY A 53 10.319 -4.008 2.587 1.00 0.00 O ATOM 0 H GLY A 53 12.020 -5.578 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.332 -3.509 1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.447 -4.750 0.718 1.00 0.00 H new ATOM 833 N SER A 54 11.129 -2.261 1.423 1.00 0.00 N ATOM 834 CA SER A 54 9.937 -1.443 1.609 1.00 0.00 C ATOM 835 C SER A 54 9.231 -1.200 0.278 1.00 0.00 C ATOM 836 O SER A 54 9.870 -0.889 -0.728 1.00 0.00 O ATOM 837 CB SER A 54 10.305 -0.106 2.255 1.00 0.00 C ATOM 838 OG SER A 54 10.843 0.791 1.299 1.00 0.00 O ATOM 0 H SER A 54 11.866 -1.814 0.877 1.00 0.00 H new ATOM 0 HA SER A 54 9.257 -1.982 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.421 0.335 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.030 -0.271 3.052 1.00 0.00 H new ATOM 0 HG SER A 54 11.069 1.639 1.736 1.00 0.00 H new ATOM 844 N ILE A 55 7.910 -1.345 0.281 1.00 0.00 N ATOM 845 CA ILE A 55 7.117 -1.141 -0.925 1.00 0.00 C ATOM 846 C ILE A 55 6.170 0.043 -0.766 1.00 0.00 C ATOM 847 O ILE A 55 5.148 -0.035 -0.085 1.00 0.00 O ATOM 848 CB ILE A 55 6.297 -2.396 -1.279 1.00 0.00 C ATOM 849 CG1 ILE A 55 7.211 -3.620 -1.370 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.548 -2.188 -2.587 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.479 -4.934 -1.210 1.00 0.00 C ATOM 0 H ILE A 55 7.367 -1.603 1.105 1.00 0.00 H new ATOM 0 HA ILE A 55 7.819 -0.936 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 55 5.566 -2.570 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.720 -3.612 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.981 -3.546 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.973 -3.083 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.872 -1.339 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.261 -1.993 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.189 -5.758 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.992 -4.963 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.728 -5.030 -1.994 1.00 0.00 H new ATOM 863 N PRO A 56 6.516 1.167 -1.412 1.00 0.00 N ATOM 864 CA PRO A 56 5.708 2.390 -1.360 1.00 0.00 C ATOM 865 C PRO A 56 4.390 2.246 -2.112 1.00 0.00 C ATOM 866 O PRO A 56 4.362 2.259 -3.344 1.00 0.00 O ATOM 867 CB PRO A 56 6.600 3.433 -2.037 1.00 0.00 C ATOM 868 CG PRO A 56 7.489 2.645 -2.936 1.00 0.00 C ATOM 869 CD PRO A 56 7.721 1.331 -2.242 1.00 0.00 C ATOM 0 HA PRO A 56 5.425 2.649 -0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.008 4.155 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.177 3.996 -1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.024 2.495 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.430 3.167 -3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.832 0.514 -2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.627 1.351 -1.636 1.00 0.00 H new ATOM 877 N LEU A 57 3.300 2.110 -1.366 1.00 0.00 N ATOM 878 CA LEU A 57 1.977 1.964 -1.963 1.00 0.00 C ATOM 879 C LEU A 57 1.353 3.328 -2.243 1.00 0.00 C ATOM 880 O LEU A 57 0.175 3.553 -1.961 1.00 0.00 O ATOM 881 CB LEU A 57 1.065 1.153 -1.041 1.00 0.00 C ATOM 882 CG LEU A 57 1.215 -0.367 -1.116 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.472 -1.034 0.030 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.712 -0.887 -2.455 1.00 0.00 C ATOM 0 H LEU A 57 3.306 2.098 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 57 2.089 1.434 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.250 1.466 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.030 1.408 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 57 2.273 -0.613 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.590 -2.115 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.879 -0.685 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.587 -0.780 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.826 -1.970 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.340 -0.629 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.289 -0.434 -3.261 1.00 0.00 H new ATOM 896 N LEU A 58 2.149 4.234 -2.800 1.00 0.00 N ATOM 897 CA LEU A 58 1.674 5.576 -3.120 1.00 0.00 C ATOM 898 C LEU A 58 1.175 5.647 -4.560 1.00 0.00 C ATOM 899 O LEU A 58 1.968 5.667 -5.502 1.00 0.00 O ATOM 900 CB LEU A 58 2.791 6.598 -2.904 1.00 0.00 C ATOM 901 CG LEU A 58 2.352 8.059 -2.801 1.00 0.00 C ATOM 902 CD1 LEU A 58 1.643 8.312 -1.479 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.549 8.987 -2.952 1.00 0.00 C ATOM 0 H LEU A 58 3.126 4.064 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 58 0.843 5.810 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.326 6.335 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.501 6.510 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 58 1.652 8.266 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.338 9.357 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.763 7.673 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.320 8.088 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.218 10.023 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.273 8.779 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.015 8.825 -3.924 1.00 0.00 H new ATOM 915 N SER A 59 -0.143 5.689 -4.723 1.00 0.00 N ATOM 916 CA SER A 59 -0.748 5.757 -6.048 1.00 0.00 C ATOM 917 C SER A 59 -0.551 4.446 -6.803 1.00 0.00 C ATOM 918 O SER A 59 -0.305 4.443 -8.010 1.00 0.00 O ATOM 919 CB SER A 59 -0.147 6.915 -6.847 1.00 0.00 C ATOM 920 OG SER A 59 -0.904 7.174 -8.017 1.00 0.00 O ATOM 0 H SER A 59 -0.813 5.677 -3.954 1.00 0.00 H new ATOM 0 HA SER A 59 -1.817 5.927 -5.924 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.113 7.810 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.881 6.678 -7.120 1.00 0.00 H new ATOM 0 HG SER A 59 -0.969 6.356 -8.553 1.00 0.00 H new ATOM 926 N PHE A 60 -0.660 3.334 -6.084 1.00 0.00 N ATOM 927 CA PHE A 60 -0.493 2.016 -6.685 1.00 0.00 C ATOM 928 C PHE A 60 -1.846 1.353 -6.927 1.00 0.00 C ATOM 929 O PHE A 60 -2.651 1.207 -6.007 1.00 0.00 O ATOM 930 CB PHE A 60 0.369 1.128 -5.786 1.00 0.00 C ATOM 931 CG PHE A 60 1.838 1.219 -6.085 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.547 2.375 -5.798 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.511 0.149 -6.652 1.00 0.00 C ATOM 934 CE1 PHE A 60 3.898 2.461 -6.072 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.863 0.230 -6.929 1.00 0.00 C ATOM 936 CZ PHE A 60 4.557 1.387 -6.638 1.00 0.00 C ATOM 0 H PHE A 60 -0.863 3.319 -5.085 1.00 0.00 H new ATOM 0 HA PHE A 60 0.007 2.143 -7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.200 1.405 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.047 0.092 -5.896 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.037 3.218 -5.355 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.973 -0.759 -6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.439 3.368 -5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.375 -0.611 -7.372 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.613 1.453 -6.852 1.00 0.00 H new ATOM 946 N ARG A 61 -2.089 0.954 -8.171 1.00 0.00 N ATOM 947 CA ARG A 61 -3.344 0.308 -8.535 1.00 0.00 C ATOM 948 C ARG A 61 -3.345 -1.158 -8.109 1.00 0.00 C ATOM 949 O ARG A 61 -2.740 -2.006 -8.764 1.00 0.00 O ATOM 950 CB ARG A 61 -3.577 0.412 -10.043 1.00 0.00 C ATOM 951 CG ARG A 61 -5.009 0.115 -10.460 1.00 0.00 C ATOM 952 CD ARG A 61 -5.280 0.573 -11.884 1.00 0.00 C ATOM 953 NE ARG A 61 -5.154 2.021 -12.027 1.00 0.00 N ATOM 954 CZ ARG A 61 -5.752 2.720 -12.985 1.00 0.00 C ATOM 955 NH1 ARG A 61 -6.514 2.107 -13.881 1.00 0.00 N ATOM 956 NH2 ARG A 61 -5.589 4.036 -13.049 1.00 0.00 N ATOM 0 H ARG A 61 -1.433 1.067 -8.944 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.152 0.821 -8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.312 1.416 -10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.908 -0.280 -10.554 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.198 -0.955 -10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.698 0.614 -9.779 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.583 0.080 -12.562 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.283 0.266 -12.179 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.575 2.523 -11.354 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.642 1.096 -13.835 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.972 2.647 -14.616 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.004 4.511 -12.362 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.049 4.572 -13.785 1.00 0.00 H new ATOM 970 N VAL A 62 -4.030 -1.448 -7.007 1.00 0.00 N ATOM 971 CA VAL A 62 -4.110 -2.810 -6.493 1.00 0.00 C ATOM 972 C VAL A 62 -5.387 -3.499 -6.963 1.00 0.00 C ATOM 973 O VAL A 62 -6.485 -2.967 -6.807 1.00 0.00 O ATOM 974 CB VAL A 62 -4.064 -2.833 -4.954 1.00 0.00 C ATOM 975 CG1 VAL A 62 -4.063 -4.265 -4.441 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.846 -2.076 -4.447 1.00 0.00 C ATOM 0 H VAL A 62 -4.537 -0.758 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.245 -3.347 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.957 -2.337 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.030 -4.261 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.968 -4.772 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.190 -4.790 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.829 -2.102 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.940 -2.542 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.895 -1.041 -4.784 1.00 0.00 H new ATOM 986 N ALA A 63 -5.233 -4.688 -7.538 1.00 0.00 N ATOM 987 CA ALA A 63 -6.374 -5.452 -8.028 1.00 0.00 C ATOM 988 C ALA A 63 -5.940 -6.827 -8.526 1.00 0.00 C ATOM 989 O ALA A 63 -4.809 -7.006 -8.975 1.00 0.00 O ATOM 990 CB ALA A 63 -7.084 -4.688 -9.135 1.00 0.00 C ATOM 0 H ALA A 63 -4.330 -5.142 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.067 -5.596 -7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.934 -5.270 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.436 -3.731 -8.749 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.392 -4.514 -9.959 1.00 0.00 H new ATOM 996 N ALA A 64 -6.847 -7.794 -8.442 1.00 0.00 N ATOM 997 CA ALA A 64 -6.558 -9.153 -8.885 1.00 0.00 C ATOM 998 C ALA A 64 -5.826 -9.150 -10.222 1.00 0.00 C ATOM 999 O ALA A 64 -6.098 -8.318 -11.089 1.00 0.00 O ATOM 1000 CB ALA A 64 -7.845 -9.959 -8.986 1.00 0.00 C ATOM 0 H ALA A 64 -7.788 -7.662 -8.071 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.907 -9.620 -8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.615 -10.972 -9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.328 -9.998 -8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.515 -9.486 -9.703 1.00 0.00 H new ATOM 1006 N VAL A 65 -4.895 -10.085 -10.384 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.124 -10.190 -11.617 1.00 0.00 C ATOM 1008 C VAL A 65 -5.037 -10.200 -12.838 1.00 0.00 C ATOM 1009 O VAL A 65 -6.258 -10.103 -12.712 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.256 -11.463 -11.629 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.110 -11.337 -10.637 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.104 -12.688 -11.323 1.00 0.00 C ATOM 0 H VAL A 65 -4.657 -10.780 -9.677 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.475 -9.315 -11.660 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.831 -11.583 -12.625 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.508 -12.245 -10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.488 -10.483 -10.906 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.511 -11.192 -9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.475 -13.578 -11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.559 -12.579 -10.338 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.887 -12.786 -12.075 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.437 -10.316 -14.018 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.198 -10.338 -15.262 1.00 0.00 C ATOM 1024 C GLN A 66 -5.053 -11.684 -15.965 1.00 0.00 C ATOM 1025 O GLN A 66 -4.096 -12.427 -15.744 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.733 -9.213 -16.188 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.417 -7.882 -15.919 1.00 0.00 C ATOM 1028 CD GLN A 66 -5.518 -7.017 -17.160 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -6.614 -6.684 -17.611 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -4.372 -6.646 -17.718 1.00 0.00 N ATOM 0 H GLN A 66 -3.427 -10.396 -14.139 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.250 -10.188 -15.018 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.656 -9.087 -16.080 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.918 -9.505 -17.222 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.417 -8.065 -15.526 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.865 -7.343 -15.149 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.486 -6.945 -17.311 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.377 -6.062 -18.554 1.00 0.00 H new ATOM 1039 N PRO A 67 -6.023 -12.006 -16.832 1.00 0.00 N ATOM 1040 CA PRO A 67 -6.026 -13.264 -17.586 1.00 0.00 C ATOM 1041 C PRO A 67 -4.930 -13.307 -18.645 1.00 0.00 C ATOM 1042 O PRO A 67 -4.651 -14.359 -19.220 1.00 0.00 O ATOM 1043 CB PRO A 67 -7.408 -13.279 -18.245 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.796 -11.845 -18.345 1.00 0.00 C ATOM 1045 CD PRO A 67 -7.193 -11.168 -17.145 1.00 0.00 C ATOM 0 HA PRO A 67 -5.835 -14.125 -16.945 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.373 -13.749 -19.228 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.125 -13.842 -17.648 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.424 -11.404 -19.270 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.880 -11.734 -18.352 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.904 -10.141 -17.366 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.894 -11.129 -16.311 1.00 0.00 H new ATOM 1053 N SER A 68 -4.313 -12.158 -18.899 1.00 0.00 N ATOM 1054 CA SER A 68 -3.249 -12.064 -19.892 1.00 0.00 C ATOM 1055 C SER A 68 -1.909 -12.478 -19.293 1.00 0.00 C ATOM 1056 O SER A 68 -1.059 -13.047 -19.979 1.00 0.00 O ATOM 1057 CB SER A 68 -3.158 -10.638 -20.439 1.00 0.00 C ATOM 1058 OG SER A 68 -4.190 -10.384 -21.376 1.00 0.00 O ATOM 0 H SER A 68 -4.531 -11.279 -18.431 1.00 0.00 H new ATOM 0 HA SER A 68 -3.487 -12.744 -20.710 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.225 -9.925 -19.617 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.188 -10.488 -20.912 1.00 0.00 H new ATOM 0 HG SER A 68 -4.111 -9.466 -21.709 1.00 0.00 H new ATOM 1144 N LYS A 74 -3.694 -18.909 -8.013 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.040 -18.370 -7.864 1.00 0.00 C ATOM 1146 C LYS A 74 -5.074 -17.275 -6.803 1.00 0.00 C ATOM 1147 O LYS A 74 -4.063 -16.988 -6.161 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.020 -19.485 -7.492 1.00 0.00 C ATOM 1149 CG LYS A 74 -6.481 -20.312 -8.680 1.00 0.00 C ATOM 1150 CD LYS A 74 -7.636 -21.226 -8.309 1.00 0.00 C ATOM 1151 CE LYS A 74 -8.955 -20.469 -8.269 1.00 0.00 C ATOM 1152 NZ LYS A 74 -9.495 -20.221 -9.634 1.00 0.00 N ATOM 0 HA LYS A 74 -5.338 -17.936 -8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.548 -20.144 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.891 -19.045 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.786 -19.649 -9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.649 -20.909 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.704 -22.040 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.445 -21.679 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.682 -21.037 -7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.812 -19.517 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.434 -19.779 -9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.853 -19.587 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.576 -21.123 -10.144 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.242 -16.667 -6.623 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.408 -15.604 -5.638 1.00 0.00 C ATOM 1168 C HIS A 75 -5.175 -14.706 -5.596 1.00 0.00 C ATOM 1169 O HIS A 75 -4.708 -14.323 -4.522 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.667 -16.199 -4.254 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.498 -17.445 -4.283 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.615 -17.586 -5.079 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.367 -18.612 -3.610 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.137 -18.785 -4.893 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.398 -19.428 -4.007 1.00 0.00 N ATOM 0 H HIS A 75 -7.088 -16.892 -7.147 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.266 -15.000 -5.932 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.712 -16.420 -3.778 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.166 -15.454 -3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.596 -18.856 -2.894 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.018 -19.173 -5.382 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.566 -20.377 -3.672 1.00 0.00 H new ATOM 1184 N THR A 76 -4.651 -14.373 -6.771 1.00 0.00 N ATOM 1185 CA THR A 76 -3.471 -13.522 -6.869 1.00 0.00 C ATOM 1186 C THR A 76 -3.842 -12.121 -7.344 1.00 0.00 C ATOM 1187 O THR A 76 -4.808 -11.942 -8.086 1.00 0.00 O ATOM 1188 CB THR A 76 -2.426 -14.118 -7.830 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.164 -15.482 -7.484 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.132 -13.320 -7.785 1.00 0.00 C ATOM 0 H THR A 76 -5.025 -14.680 -7.669 1.00 0.00 H new ATOM 0 HA THR A 76 -3.041 -13.462 -5.869 1.00 0.00 H new ATOM 0 HB THR A 76 -2.827 -14.071 -8.842 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.954 -15.867 -7.050 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.409 -13.760 -8.472 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.330 -12.289 -8.078 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.728 -13.338 -6.773 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.068 -11.131 -6.912 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.315 -9.745 -7.293 1.00 0.00 C ATOM 1200 C PHE A 77 -2.005 -9.018 -7.578 1.00 0.00 C ATOM 1201 O PHE A 77 -0.957 -9.364 -7.032 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.085 -9.020 -6.188 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.499 -9.219 -4.819 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.860 -10.314 -4.050 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.589 -8.312 -4.302 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.323 -10.501 -2.790 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.048 -8.494 -3.043 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.416 -9.589 -2.286 1.00 0.00 C ATOM 0 H PHE A 77 -2.264 -11.263 -6.298 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.915 -9.745 -8.203 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.109 -7.954 -6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.118 -9.369 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.569 -11.029 -4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.299 -7.453 -4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.612 -11.359 -2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.338 -7.780 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.995 -9.732 -1.302 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.072 -8.006 -8.437 1.00 0.00 N ATOM 1219 CA LYS A 78 -0.892 -7.227 -8.796 1.00 0.00 C ATOM 1220 C LYS A 78 -1.059 -5.768 -8.385 1.00 0.00 C ATOM 1221 O LYS A 78 -2.175 -5.252 -8.330 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.634 -7.318 -10.302 1.00 0.00 C ATOM 1223 CG LYS A 78 -1.787 -6.808 -11.148 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.394 -6.686 -12.611 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.373 -5.812 -13.380 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.039 -5.749 -14.830 1.00 0.00 N ATOM 0 H LYS A 78 -2.931 -7.706 -8.898 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.037 -7.641 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.263 -6.748 -10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.432 -8.356 -10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.636 -7.485 -11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.111 -5.836 -10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.392 -6.264 -12.686 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.357 -7.677 -13.063 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.383 -6.203 -13.257 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.367 -4.805 -12.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.729 -5.144 -15.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.085 -5.353 -14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.069 -6.706 -15.235 1.00 0.00 H new ATOM 1240 N ALA A 79 0.059 -5.107 -8.100 1.00 0.00 N ATOM 1241 CA ALA A 79 0.036 -3.706 -7.698 1.00 0.00 C ATOM 1242 C ALA A 79 0.946 -2.866 -8.587 1.00 0.00 C ATOM 1243 O ALA A 79 2.167 -2.885 -8.435 1.00 0.00 O ATOM 1244 CB ALA A 79 0.447 -3.569 -6.240 1.00 0.00 C ATOM 0 H ALA A 79 0.991 -5.519 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.983 -3.337 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.425 -2.518 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.245 -4.131 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.456 -3.960 -6.108 1.00 0.00 H new ATOM 1250 N GLU A 80 0.343 -2.129 -9.515 1.00 0.00 N ATOM 1251 CA GLU A 80 1.101 -1.283 -10.429 1.00 0.00 C ATOM 1252 C GLU A 80 0.694 0.180 -10.281 1.00 0.00 C ATOM 1253 O GLU A 80 -0.492 0.511 -10.301 1.00 0.00 O ATOM 1254 CB GLU A 80 0.890 -1.738 -11.875 1.00 0.00 C ATOM 1255 CG GLU A 80 1.409 -0.750 -12.906 1.00 0.00 C ATOM 1256 CD GLU A 80 0.383 0.306 -13.270 1.00 0.00 C ATOM 1257 OE1 GLU A 80 -0.821 0.070 -13.036 1.00 0.00 O ATOM 1258 OE2 GLU A 80 0.785 1.369 -13.788 1.00 0.00 O ATOM 0 H GLU A 80 -0.667 -2.101 -9.653 1.00 0.00 H new ATOM 0 HA GLU A 80 2.157 -1.376 -10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.387 -2.697 -12.021 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.174 -1.901 -12.044 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.304 -0.263 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.704 -1.290 -13.806 1.00 0.00 H new ATOM 1265 N HIS A 81 1.685 1.053 -10.131 1.00 0.00 N ATOM 1266 CA HIS A 81 1.431 2.481 -9.979 1.00 0.00 C ATOM 1267 C HIS A 81 1.445 3.182 -11.333 1.00 0.00 C ATOM 1268 O HIS A 81 0.396 3.543 -11.867 1.00 0.00 O ATOM 1269 CB HIS A 81 2.474 3.110 -9.054 1.00 0.00 C ATOM 1270 CG HIS A 81 2.694 4.570 -9.307 1.00 0.00 C ATOM 1271 ND1 HIS A 81 3.898 5.200 -9.075 1.00 0.00 N ATOM 1272 CD2 HIS A 81 1.856 5.524 -9.776 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.791 6.479 -9.388 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.562 6.701 -9.817 1.00 0.00 N ATOM 0 H HIS A 81 2.672 0.796 -10.111 1.00 0.00 H new ATOM 0 HA HIS A 81 0.443 2.605 -9.536 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.161 2.972 -8.019 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.420 2.582 -9.174 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.824 5.385 -10.064 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.575 7.217 -9.307 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.196 7.601 -10.128 1.00 0.00 H new ATOM 1316 N ARG A 85 6.848 -0.346 -11.561 1.00 0.00 N ATOM 1317 CA ARG A 85 7.002 -1.761 -11.247 1.00 0.00 C ATOM 1318 C ARG A 85 5.642 -2.425 -11.049 1.00 0.00 C ATOM 1319 O ARG A 85 4.621 -1.749 -10.920 1.00 0.00 O ATOM 1320 CB ARG A 85 7.855 -1.937 -9.989 1.00 0.00 C ATOM 1321 CG ARG A 85 8.510 -3.304 -9.883 1.00 0.00 C ATOM 1322 CD ARG A 85 9.695 -3.282 -8.930 1.00 0.00 C ATOM 1323 NE ARG A 85 10.879 -2.687 -9.544 1.00 0.00 N ATOM 1324 CZ ARG A 85 12.050 -2.579 -8.926 1.00 0.00 C ATOM 1325 NH1 ARG A 85 12.193 -3.023 -7.685 1.00 0.00 N ATOM 1326 NH2 ARG A 85 13.082 -2.025 -9.551 1.00 0.00 N ATOM 0 HA ARG A 85 7.503 -2.241 -12.087 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.630 -1.170 -9.976 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.230 -1.774 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.778 -4.034 -9.538 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.841 -3.627 -10.870 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.430 -2.720 -8.034 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.924 -4.299 -8.612 1.00 0.00 H new ATOM 0 HE ARG A 85 10.803 -2.336 -10.498 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.402 -3.449 -7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.094 -2.938 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.976 -1.682 -10.506 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.981 -1.942 -9.076 1.00 0.00 H new ATOM 1340 N THR A 86 5.636 -3.755 -11.027 1.00 0.00 N ATOM 1341 CA THR A 86 4.403 -4.511 -10.848 1.00 0.00 C ATOM 1342 C THR A 86 4.624 -5.714 -9.938 1.00 0.00 C ATOM 1343 O THR A 86 5.231 -6.706 -10.342 1.00 0.00 O ATOM 1344 CB THR A 86 3.841 -4.997 -12.197 1.00 0.00 C ATOM 1345 OG1 THR A 86 3.791 -3.910 -13.127 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.450 -5.586 -12.022 1.00 0.00 C ATOM 0 H THR A 86 6.472 -4.330 -11.131 1.00 0.00 H new ATOM 0 HA THR A 86 3.682 -3.837 -10.385 1.00 0.00 H new ATOM 0 HB THR A 86 4.501 -5.774 -12.583 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.434 -4.228 -13.983 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.073 -5.923 -12.988 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.497 -6.432 -11.336 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.782 -4.826 -11.617 1.00 0.00 H new ATOM 1354 N TYR A 87 4.126 -5.620 -8.710 1.00 0.00 N ATOM 1355 CA TYR A 87 4.270 -6.702 -7.743 1.00 0.00 C ATOM 1356 C TYR A 87 3.214 -7.778 -7.968 1.00 0.00 C ATOM 1357 O TYR A 87 2.242 -7.569 -8.695 1.00 0.00 O ATOM 1358 CB TYR A 87 4.164 -6.156 -6.318 1.00 0.00 C ATOM 1359 CG TYR A 87 5.297 -5.231 -5.937 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.398 -3.960 -6.490 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.268 -5.627 -5.025 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.432 -3.111 -6.146 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.304 -4.784 -4.674 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.382 -3.528 -5.237 1.00 0.00 C ATOM 1365 OH TYR A 87 8.415 -2.686 -4.891 1.00 0.00 O ATOM 0 H TYR A 87 3.619 -4.806 -8.361 1.00 0.00 H new ATOM 0 HA TYR A 87 5.254 -7.151 -7.881 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.219 -5.622 -6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.138 -6.992 -5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.655 -3.630 -7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.211 -6.611 -4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.496 -2.127 -6.586 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.049 -5.107 -3.962 1.00 0.00 H new ATOM 0 HH TYR A 87 8.996 -3.131 -4.239 1.00 0.00 H new ATOM 1375 N PHE A 88 3.410 -8.932 -7.338 1.00 0.00 N ATOM 1376 CA PHE A 88 2.475 -10.043 -7.468 1.00 0.00 C ATOM 1377 C PHE A 88 2.368 -10.820 -6.159 1.00 0.00 C ATOM 1378 O PHE A 88 3.353 -11.376 -5.672 1.00 0.00 O ATOM 1379 CB PHE A 88 2.917 -10.979 -8.595 1.00 0.00 C ATOM 1380 CG PHE A 88 2.656 -10.429 -9.968 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.421 -10.599 -10.574 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.645 -9.742 -10.653 1.00 0.00 C ATOM 1383 CE1 PHE A 88 1.178 -10.093 -11.837 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.407 -9.234 -11.916 1.00 0.00 C ATOM 1385 CZ PHE A 88 2.173 -9.411 -12.509 1.00 0.00 C ATOM 0 H PHE A 88 4.208 -9.122 -6.732 1.00 0.00 H new ATOM 0 HA PHE A 88 1.494 -9.634 -7.708 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.983 -11.183 -8.490 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.399 -11.932 -8.489 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.640 -11.133 -10.053 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.613 -9.602 -10.195 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.211 -10.231 -12.298 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.186 -8.699 -12.439 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.986 -9.017 -13.497 1.00 0.00 H new ATOM 1395 N PHE A 89 1.166 -10.854 -5.594 1.00 0.00 N ATOM 1396 CA PHE A 89 0.929 -11.561 -4.341 1.00 0.00 C ATOM 1397 C PHE A 89 -0.191 -12.585 -4.498 1.00 0.00 C ATOM 1398 O PHE A 89 -1.251 -12.284 -5.047 1.00 0.00 O ATOM 1399 CB PHE A 89 0.576 -10.569 -3.231 1.00 0.00 C ATOM 1400 CG PHE A 89 1.512 -9.397 -3.153 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.754 -9.524 -2.551 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.152 -8.169 -3.684 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.617 -8.447 -2.478 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.011 -7.089 -3.614 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.245 -7.228 -3.012 1.00 0.00 C ATOM 0 H PHE A 89 0.340 -10.400 -5.984 1.00 0.00 H new ATOM 0 HA PHE A 89 1.844 -12.088 -4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.438 -10.203 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.580 -11.091 -2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.051 -10.475 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.188 -8.055 -4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.581 -8.558 -2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.717 -6.137 -4.030 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.919 -6.386 -2.958 1.00 0.00 H new ATOM 1415 N SER A 90 0.053 -13.799 -4.013 1.00 0.00 N ATOM 1416 CA SER A 90 -0.932 -14.870 -4.102 1.00 0.00 C ATOM 1417 C SER A 90 -1.433 -15.265 -2.716 1.00 0.00 C ATOM 1418 O SER A 90 -0.671 -15.762 -1.887 1.00 0.00 O ATOM 1419 CB SER A 90 -0.329 -16.088 -4.805 1.00 0.00 C ATOM 1420 OG SER A 90 -1.234 -17.179 -4.801 1.00 0.00 O ATOM 0 H SER A 90 0.925 -14.065 -3.555 1.00 0.00 H new ATOM 0 HA SER A 90 -1.778 -14.505 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.072 -15.829 -5.832 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.597 -16.378 -4.308 1.00 0.00 H new ATOM 0 HG SER A 90 -2.056 -16.924 -5.270 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.720 -15.040 -2.473 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.324 -15.373 -1.189 1.00 0.00 C ATOM 1428 C ALA A 91 -3.776 -16.829 -1.157 1.00 0.00 C ATOM 1429 O ALA A 91 -4.452 -17.299 -2.071 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.497 -14.448 -0.902 1.00 0.00 C ATOM 0 H ALA A 91 -3.364 -14.629 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.570 -15.236 -0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.939 -14.708 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.148 -13.416 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.246 -14.556 -1.686 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.398 -17.538 -0.098 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.764 -18.942 0.052 1.00 0.00 C ATOM 1438 C GLU A 92 -5.261 -19.140 -0.167 1.00 0.00 C ATOM 1439 O GLU A 92 -5.681 -20.070 -0.856 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.368 -19.450 1.439 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.898 -19.250 1.765 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.390 -20.236 2.799 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -2.060 -20.402 3.840 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.322 -20.841 2.568 1.00 0.00 O ATOM 0 H GLU A 92 -2.839 -17.164 0.668 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.225 -19.514 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.971 -18.938 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.606 -20.511 1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.310 -19.351 0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.746 -18.235 2.131 1.00 0.00 H new ATOM 1451 N SER A 93 -6.061 -18.259 0.425 1.00 0.00 N ATOM 1452 CA SER A 93 -7.512 -18.339 0.299 1.00 0.00 C ATOM 1453 C SER A 93 -8.054 -17.155 -0.496 1.00 0.00 C ATOM 1454 O SER A 93 -7.461 -16.077 -0.535 1.00 0.00 O ATOM 1455 CB SER A 93 -8.163 -18.380 1.682 1.00 0.00 C ATOM 1456 OG SER A 93 -7.881 -19.602 2.343 1.00 0.00 O ATOM 0 H SER A 93 -5.729 -17.482 0.996 1.00 0.00 H new ATOM 0 HA SER A 93 -7.756 -19.256 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.800 -17.546 2.283 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.242 -18.257 1.583 1.00 0.00 H new ATOM 0 HG SER A 93 -8.307 -19.602 3.226 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.209 -17.359 -1.146 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.858 -16.321 -1.952 1.00 0.00 C ATOM 1464 C PRO A 94 -10.425 -15.193 -1.096 1.00 0.00 C ATOM 1465 O PRO A 94 -10.673 -14.093 -1.589 1.00 0.00 O ATOM 1466 CB PRO A 94 -10.987 -17.075 -2.660 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.282 -18.235 -1.772 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.971 -18.619 -1.144 1.00 0.00 C ATOM 0 HA PRO A 94 -9.158 -15.837 -2.633 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.865 -16.442 -2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.681 -17.404 -3.653 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.016 -17.968 -1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.700 -19.065 -2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.107 -19.004 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.464 -19.396 -1.716 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.628 -15.474 0.187 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.167 -14.482 1.110 1.00 0.00 C ATOM 1478 C GLU A 95 -10.122 -13.418 1.435 1.00 0.00 C ATOM 1479 O GLU A 95 -10.448 -12.242 1.588 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.642 -15.157 2.399 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.554 -15.944 3.110 1.00 0.00 C ATOM 1482 CD GLU A 95 -11.110 -16.898 4.150 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -12.066 -17.633 3.828 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.589 -16.909 5.284 1.00 0.00 O ATOM 0 H GLU A 95 -10.428 -16.380 0.611 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.016 -13.998 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.030 -14.396 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.469 -15.827 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.979 -16.508 2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.864 -15.250 3.590 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.867 -13.842 1.539 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.775 -12.926 1.847 1.00 0.00 C ATOM 1493 C GLU A 96 -7.458 -12.034 0.650 1.00 0.00 C ATOM 1494 O GLU A 96 -7.281 -10.825 0.794 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.526 -13.707 2.260 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.468 -14.021 3.746 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.724 -15.309 4.041 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -6.253 -16.390 3.709 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -4.612 -15.235 4.604 1.00 0.00 O ATOM 0 H GLU A 96 -8.581 -14.813 1.415 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.090 -12.293 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.489 -14.640 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.641 -13.134 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.982 -13.197 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.482 -14.094 4.138 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.388 -12.642 -0.530 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.091 -11.903 -1.752 1.00 0.00 C ATOM 1508 C GLN A 97 -7.893 -10.608 -1.814 1.00 0.00 C ATOM 1509 O GLN A 97 -7.328 -9.523 -1.942 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.395 -12.764 -2.980 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.307 -12.004 -4.293 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.244 -12.554 -5.350 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.254 -13.184 -5.034 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.913 -12.320 -6.615 1.00 0.00 N ATOM 0 H GLN A 97 -7.533 -13.643 -0.666 1.00 0.00 H new ATOM 0 HA GLN A 97 -6.030 -11.652 -1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.698 -13.602 -3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.396 -13.185 -2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.541 -10.954 -4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.283 -12.045 -4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.067 -11.793 -6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.505 -12.667 -7.370 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.214 -10.730 -1.723 1.00 0.00 N ATOM 1524 CA GLU A 98 -10.093 -9.568 -1.770 1.00 0.00 C ATOM 1525 C GLU A 98 -9.793 -8.611 -0.619 1.00 0.00 C ATOM 1526 O GLU A 98 -9.615 -7.411 -0.826 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.558 -10.006 -1.713 1.00 0.00 C ATOM 1528 CG GLU A 98 -12.049 -10.657 -2.996 1.00 0.00 C ATOM 1529 CD GLU A 98 -12.307 -9.650 -4.099 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -13.277 -8.873 -3.977 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -11.540 -9.639 -5.085 1.00 0.00 O ATOM 0 H GLU A 98 -9.698 -11.621 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.913 -9.047 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.687 -10.706 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.180 -9.138 -1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.310 -11.382 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.966 -11.209 -2.791 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.738 -9.153 0.593 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.458 -8.349 1.776 1.00 0.00 C ATOM 1540 C ALA A 99 -8.237 -7.461 1.560 1.00 0.00 C ATOM 1541 O ALA A 99 -8.265 -6.267 1.861 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.252 -9.246 2.988 1.00 0.00 C ATOM 0 H ALA A 99 -9.884 -10.145 0.781 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.317 -7.703 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.044 -8.632 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.153 -9.834 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.411 -9.916 2.806 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.167 -8.050 1.038 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.936 -7.312 0.783 1.00 0.00 C ATOM 1550 C TRP A 100 -6.158 -6.230 -0.268 1.00 0.00 C ATOM 1551 O TRP A 100 -5.929 -5.047 -0.012 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.831 -8.265 0.325 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.096 -8.911 1.461 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.305 -10.163 1.965 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -3.036 -8.337 2.233 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.439 -10.401 3.005 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.649 -9.297 3.188 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.374 -7.106 2.209 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.632 -9.062 4.110 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.365 -6.874 3.124 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -1.002 -7.848 4.064 1.00 0.00 C ATOM 0 H TRP A 100 -7.127 -9.037 0.783 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.630 -6.832 1.713 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.268 -9.041 -0.304 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.120 -7.716 -0.293 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -5.042 -10.863 1.600 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.392 -11.261 3.552 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.646 -6.350 1.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.351 -9.811 4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.847 -5.926 3.115 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.209 -7.636 4.766 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.606 -6.641 -1.449 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.860 -5.705 -2.537 1.00 0.00 C ATOM 1574 C ILE A 101 -7.473 -4.410 -2.017 1.00 0.00 C ATOM 1575 O ILE A 101 -7.139 -3.322 -2.484 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.798 -6.315 -3.596 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -7.073 -7.409 -4.382 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.311 -5.233 -4.535 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.980 -8.191 -5.306 1.00 0.00 C ATOM 0 H ILE A 101 -6.801 -7.616 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.896 -5.488 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.652 -6.764 -3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.274 -6.955 -4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.602 -8.097 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.972 -5.679 -5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.860 -4.485 -3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.469 -4.758 -5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.399 -8.949 -5.831 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.764 -8.674 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.432 -7.514 -6.031 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.371 -4.536 -1.044 1.00 0.00 N ATOM 1592 CA GLN A 102 -9.030 -3.374 -0.459 1.00 0.00 C ATOM 1593 C GLN A 102 -8.165 -2.749 0.631 1.00 0.00 C ATOM 1594 O GLN A 102 -7.853 -1.560 0.583 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.391 -3.770 0.117 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.293 -4.474 -0.883 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.764 -4.323 -0.549 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.156 -4.375 0.618 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.588 -4.134 -1.573 1.00 0.00 N ATOM 0 H GLN A 102 -8.658 -5.430 -0.645 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.178 -2.636 -1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.237 -4.422 0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.896 -2.876 0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -11.107 -4.073 -1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -11.038 -5.533 -0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.220 -4.098 -2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.589 -4.025 -1.409 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.782 -3.559 1.612 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.952 -3.086 2.713 1.00 0.00 C ATOM 1610 C ALA A 103 -5.824 -2.194 2.206 1.00 0.00 C ATOM 1611 O ALA A 103 -5.757 -1.012 2.543 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.386 -4.265 3.491 1.00 0.00 C ATOM 0 H ALA A 103 -8.033 -4.546 1.667 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.578 -2.492 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.768 -3.897 4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.204 -4.862 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.779 -4.881 2.827 1.00 0.00 H new ATOM 1618 N MET A 104 -4.941 -2.767 1.396 1.00 0.00 N ATOM 1619 CA MET A 104 -3.816 -2.022 0.842 1.00 0.00 C ATOM 1620 C MET A 104 -4.275 -1.101 -0.283 1.00 0.00 C ATOM 1621 O MET A 104 -3.659 -0.068 -0.543 1.00 0.00 O ATOM 1622 CB MET A 104 -2.745 -2.984 0.324 1.00 0.00 C ATOM 1623 CG MET A 104 -3.174 -3.766 -0.907 1.00 0.00 C ATOM 1624 SD MET A 104 -1.776 -4.309 -1.907 1.00 0.00 S ATOM 1625 CE MET A 104 -0.813 -5.199 -0.687 1.00 0.00 C ATOM 0 H MET A 104 -4.982 -3.745 1.108 1.00 0.00 H new ATOM 0 HA MET A 104 -3.391 -1.410 1.638 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.843 -2.418 0.089 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.484 -3.685 1.117 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.753 -4.636 -0.597 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.832 -3.146 -1.516 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.097 -5.582 -1.150 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.549 -4.527 0.130 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.399 -6.031 -0.297 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.362 -1.481 -0.948 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.885 -0.678 -2.037 1.00 0.00 C ATOM 1637 C GLY A 105 -6.237 0.731 -1.602 1.00 0.00 C ATOM 1638 O GLY A 105 -5.803 1.704 -2.218 1.00 0.00 O ATOM 0 H GLY A 105 -5.890 -2.331 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.147 -0.634 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.772 -1.161 -2.447 1.00 0.00 H new ATOM 1642 N GLU A 106 -7.026 0.840 -0.538 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.438 2.141 -0.023 1.00 0.00 C ATOM 1644 C GLU A 106 -6.224 3.010 0.292 1.00 0.00 C ATOM 1645 O GLU A 106 -6.212 4.206 0.003 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.296 1.969 1.232 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.489 1.914 2.518 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.364 1.930 3.757 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.794 3.030 4.165 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.619 0.844 4.318 1.00 0.00 O ATOM 0 H GLU A 106 -7.393 0.044 -0.016 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.029 2.638 -0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.005 2.795 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.880 1.053 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.878 1.011 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.805 2.762 2.550 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.205 2.399 0.888 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.986 3.116 1.242 1.00 0.00 C ATOM 1659 C ALA A 107 -3.314 3.700 0.004 1.00 0.00 C ATOM 1660 O ALA A 107 -2.648 4.732 0.077 1.00 0.00 O ATOM 1661 CB ALA A 107 -3.027 2.194 1.980 1.00 0.00 C ATOM 0 H ALA A 107 -5.200 1.410 1.136 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.257 3.942 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.121 2.743 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.502 1.829 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.770 1.349 1.341 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.493 3.033 -1.131 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.905 3.488 -2.385 1.00 0.00 C ATOM 1669 C ALA A 108 -3.828 4.468 -3.102 1.00 0.00 C ATOM 1670 O ALA A 108 -3.369 5.423 -3.727 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.594 2.300 -3.284 1.00 0.00 C ATOM 0 H ALA A 108 -4.040 2.176 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.976 4.008 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.155 2.655 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.890 1.637 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.514 1.756 -3.499 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.131 4.223 -3.006 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.118 5.083 -3.647 1.00 0.00 C ATOM 1679 C ARG A 109 -6.213 6.428 -2.932 1.00 0.00 C ATOM 1680 O ARG A 109 -5.826 6.554 -1.771 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.488 4.402 -3.660 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.329 4.703 -2.430 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.603 3.873 -2.409 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.707 4.549 -3.085 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.397 5.548 -2.547 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -11.097 5.986 -1.332 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -12.389 6.112 -3.224 1.00 0.00 N ATOM 0 H ARG A 109 -5.527 3.437 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.798 5.259 -4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.033 4.719 -4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.348 3.324 -3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.747 4.500 -1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.584 5.763 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.418 2.912 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.883 3.665 -1.376 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.962 4.237 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.335 5.556 -0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.628 6.753 -0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.623 5.778 -4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.918 6.879 -2.809 1.00 0.00 H new