USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 886 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 45 TYR OH : rot 180:sc= 0.187 USER MOD Set 1.2: A 47 LYS NZ :NH3+ 156:sc= 0.209 (180deg=0) USER MOD Set 2.1: A 26 THR OG1 : rot -69:sc= 1.29 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.36 X(o=-1.4,f=-0.91) USER MOD Single : A 11 SER OG : rot 52:sc= -0.663 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.048) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= 1.27 (180deg=0.372) USER MOD Single : A 43 ASN : amide:sc= -2.15 K(o=-2.1,f=-6.5!) USER MOD Single : A 49 TYR OH : rot 150:sc= 0 USER MOD Single : A 62 THR OG1 : rot 122:sc= 0.206 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 0.00455 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 164:sc=-0.00683 (180deg=-0.126) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -2.51 K(o=-2.5,f=-3.1!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 92:sc= -1.15 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.622 K(o=-0.62,f=-2.3!) USER MOD Single : A 91 MET CE :methyl -176:sc= -10.2! (180deg=-10.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0613 USER MOD Single : A 99 GLN : amide:sc= -0.0497 X(o=-0.05,f=-0.32) USER MOD Single : A 119 THR OG1 : rot 180:sc=-0.000674 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.18) USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0.0031) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 0.640 -12.362 -2.301 1.00 0.00 N ATOM 67 CA GLY A 8 -0.033 -12.730 -1.067 1.00 0.00 C ATOM 68 C GLY A 8 -1.370 -12.000 -0.932 1.00 0.00 C ATOM 69 O GLY A 8 -2.174 -11.992 -1.864 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.199 -13.807 -1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.604 -12.490 -0.216 1.00 0.00 H new ATOM 73 N GLN A 9 -1.568 -11.405 0.235 1.00 0.00 N ATOM 74 CA GLN A 9 -2.795 -10.674 0.504 1.00 0.00 C ATOM 75 C GLN A 9 -2.516 -9.493 1.435 1.00 0.00 C ATOM 76 O GLN A 9 -1.905 -9.661 2.489 1.00 0.00 O ATOM 77 CB GLN A 9 -3.865 -11.596 1.092 1.00 0.00 C ATOM 78 CG GLN A 9 -4.243 -12.699 0.102 1.00 0.00 C ATOM 79 CD GLN A 9 -5.144 -13.745 0.763 1.00 0.00 C ATOM 80 OE1 GLN A 9 -4.688 -14.696 1.376 1.00 0.00 O ATOM 81 NE2 GLN A 9 -6.444 -13.515 0.606 1.00 0.00 N ATOM 0 H GLN A 9 -0.899 -11.414 1.005 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.177 -10.285 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.498 -12.042 2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.750 -11.014 1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.755 -12.263 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.340 -13.178 -0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.758 -12.699 0.081 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.128 -14.155 1.011 1.00 0.00 H new ATOM 90 N LEU A 10 -2.978 -8.325 1.013 1.00 0.00 N ATOM 91 CA LEU A 10 -2.785 -7.117 1.796 1.00 0.00 C ATOM 92 C LEU A 10 -4.149 -6.555 2.203 1.00 0.00 C ATOM 93 O LEU A 10 -5.098 -6.594 1.422 1.00 0.00 O ATOM 94 CB LEU A 10 -1.911 -6.118 1.035 1.00 0.00 C ATOM 95 CG LEU A 10 -0.871 -5.366 1.868 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.291 -4.186 1.085 1.00 0.00 C ATOM 97 CD2 LEU A 10 -1.457 -4.928 3.212 1.00 0.00 C ATOM 0 H LEU A 10 -3.486 -8.190 0.139 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.245 -7.342 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.392 -6.652 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.562 -5.386 0.557 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.048 -6.047 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.446 -3.668 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.187 -4.552 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.092 -3.496 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.697 -4.396 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.309 -4.270 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.783 -5.806 3.770 1.00 0.00 H new ATOM 109 N SER A 11 -4.204 -6.047 3.425 1.00 0.00 N ATOM 110 CA SER A 11 -5.436 -5.478 3.945 1.00 0.00 C ATOM 111 C SER A 11 -5.341 -3.951 3.962 1.00 0.00 C ATOM 112 O SER A 11 -4.578 -3.381 4.739 1.00 0.00 O ATOM 113 CB SER A 11 -5.736 -6.006 5.350 1.00 0.00 C ATOM 114 OG SER A 11 -5.961 -7.413 5.354 1.00 0.00 O ATOM 0 H SER A 11 -3.415 -6.017 4.071 1.00 0.00 H new ATOM 0 HA SER A 11 -6.254 -5.778 3.290 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.903 -5.770 6.012 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.614 -5.497 5.749 1.00 0.00 H new ATOM 0 HG SER A 11 -5.215 -7.865 4.908 1.00 0.00 H new ATOM 120 N ILE A 12 -6.128 -3.333 3.094 1.00 0.00 N ATOM 121 CA ILE A 12 -6.143 -1.883 2.998 1.00 0.00 C ATOM 122 C ILE A 12 -7.571 -1.377 3.208 1.00 0.00 C ATOM 123 O ILE A 12 -8.483 -1.761 2.477 1.00 0.00 O ATOM 124 CB ILE A 12 -5.516 -1.426 1.679 1.00 0.00 C ATOM 125 CG1 ILE A 12 -4.039 -1.817 1.610 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.723 0.075 1.465 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.698 -2.432 0.251 1.00 0.00 C ATOM 0 H ILE A 12 -6.760 -3.810 2.451 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.530 -1.443 3.784 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.023 -1.940 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.418 -0.938 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.810 -2.529 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.268 0.374 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.790 0.295 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.258 0.627 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.642 -2.701 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.304 -3.325 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.905 -1.709 -0.538 1.00 0.00 H new ATOM 139 N LYS A 13 -7.721 -0.523 4.210 1.00 0.00 N ATOM 140 CA LYS A 13 -9.024 0.040 4.525 1.00 0.00 C ATOM 141 C LYS A 13 -9.085 1.484 4.024 1.00 0.00 C ATOM 142 O LYS A 13 -8.357 2.346 4.513 1.00 0.00 O ATOM 143 CB LYS A 13 -9.323 -0.106 6.018 1.00 0.00 C ATOM 144 CG LYS A 13 -10.742 -0.633 6.244 1.00 0.00 C ATOM 145 CD LYS A 13 -11.136 -0.532 7.719 1.00 0.00 C ATOM 146 CE LYS A 13 -9.963 -0.909 8.627 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.328 -0.723 10.049 1.00 0.00 N ATOM 0 H LYS A 13 -6.962 -0.207 4.814 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.812 -0.510 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.602 -0.786 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.206 0.859 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.446 -0.065 5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.805 -1.671 5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.462 0.484 7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.982 -1.190 7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.678 -1.946 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.096 -0.295 8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.521 -0.983 10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.578 0.273 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.142 -1.328 10.280 1.00 0.00 H new ATOM 161 N LEU A 14 -9.962 1.703 3.055 1.00 0.00 N ATOM 162 CA LEU A 14 -10.128 3.028 2.482 1.00 0.00 C ATOM 163 C LEU A 14 -11.454 3.623 2.960 1.00 0.00 C ATOM 164 O LEU A 14 -12.378 2.890 3.309 1.00 0.00 O ATOM 165 CB LEU A 14 -9.992 2.974 0.959 1.00 0.00 C ATOM 166 CG LEU A 14 -8.756 2.252 0.421 1.00 0.00 C ATOM 167 CD1 LEU A 14 -8.960 1.825 -1.034 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.500 3.108 0.597 1.00 0.00 C ATOM 0 H LEU A 14 -10.565 0.985 2.652 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.337 3.694 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.878 2.487 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.986 3.995 0.578 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.610 1.344 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.066 1.314 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.814 1.151 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.145 2.706 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.636 2.571 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.620 4.046 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.348 3.318 1.656 1.00 0.00 H new ATOM 180 N TRP A 15 -11.506 4.947 2.961 1.00 0.00 N ATOM 181 CA TRP A 15 -12.703 5.649 3.391 1.00 0.00 C ATOM 182 C TRP A 15 -12.683 7.046 2.766 1.00 0.00 C ATOM 183 O TRP A 15 -11.616 7.626 2.571 1.00 0.00 O ATOM 184 CB TRP A 15 -12.803 5.678 4.917 1.00 0.00 C ATOM 185 CG TRP A 15 -13.835 6.672 5.454 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.689 7.991 5.646 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.186 6.372 5.864 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.842 8.560 6.147 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.781 7.545 6.283 1.00 0.00 C ATOM 190 CE3 TRP A 15 -15.882 5.151 5.879 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -17.100 7.611 6.748 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.199 5.234 6.346 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.813 6.406 6.772 1.00 0.00 C ATOM 0 H TRP A 15 -10.738 5.552 2.671 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.598 5.129 3.051 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.056 4.679 5.273 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.825 5.926 5.330 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.783 8.539 5.435 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.980 9.545 6.375 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.436 4.222 5.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.544 8.541 7.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.779 4.323 6.378 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.835 6.387 7.120 1.00 0.00 H new ATOM 204 N PHE A 16 -13.874 7.544 2.471 1.00 0.00 N ATOM 205 CA PHE A 16 -14.006 8.862 1.872 1.00 0.00 C ATOM 206 C PHE A 16 -14.776 9.809 2.795 1.00 0.00 C ATOM 207 O PHE A 16 -15.869 9.481 3.255 1.00 0.00 O ATOM 208 CB PHE A 16 -14.793 8.685 0.572 1.00 0.00 C ATOM 209 CG PHE A 16 -14.897 9.959 -0.270 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.772 10.545 -0.759 1.00 0.00 C ATOM 211 CD2 PHE A 16 -16.116 10.504 -0.529 1.00 0.00 C ATOM 212 CE1 PHE A 16 -13.869 11.727 -1.540 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.213 11.686 -1.310 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.088 12.273 -1.799 1.00 0.00 C ATOM 0 H PHE A 16 -14.756 7.059 2.635 1.00 0.00 H new ATOM 0 HA PHE A 16 -13.020 9.291 1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.319 7.905 -0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.798 8.337 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.804 10.112 -0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -17.010 10.038 -0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.975 12.193 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.181 12.119 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.162 13.172 -2.393 1.00 0.00 H new ATOM 224 N ASP A 17 -14.175 10.964 3.039 1.00 0.00 N ATOM 225 CA ASP A 17 -14.790 11.961 3.899 1.00 0.00 C ATOM 226 C ASP A 17 -15.322 13.110 3.041 1.00 0.00 C ATOM 227 O ASP A 17 -14.598 14.062 2.754 1.00 0.00 O ATOM 228 CB ASP A 17 -13.774 12.538 4.887 1.00 0.00 C ATOM 229 CG ASP A 17 -14.254 13.766 5.664 1.00 0.00 C ATOM 230 OD1 ASP A 17 -14.062 14.883 5.135 1.00 0.00 O ATOM 231 OD2 ASP A 17 -14.802 13.561 6.768 1.00 0.00 O ATOM 0 H ASP A 17 -13.268 11.232 2.656 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.596 11.479 4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.500 11.760 5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.869 12.803 4.341 1.00 0.00 H new ATOM 236 N LYS A 18 -16.583 12.984 2.655 1.00 0.00 N ATOM 237 CA LYS A 18 -17.220 14.000 1.835 1.00 0.00 C ATOM 238 C LYS A 18 -17.308 15.307 2.627 1.00 0.00 C ATOM 239 O LYS A 18 -17.456 16.380 2.046 1.00 0.00 O ATOM 240 CB LYS A 18 -18.571 13.503 1.319 1.00 0.00 C ATOM 241 CG LYS A 18 -19.578 13.363 2.462 1.00 0.00 C ATOM 242 CD LYS A 18 -19.911 11.892 2.723 1.00 0.00 C ATOM 243 CE LYS A 18 -20.444 11.694 4.143 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.529 10.252 4.468 1.00 0.00 N ATOM 0 H LYS A 18 -17.181 12.193 2.895 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.621 14.203 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.957 14.198 0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.443 12.541 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -19.171 13.813 3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.490 13.908 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.653 11.550 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.019 11.282 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -19.790 12.196 4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.429 12.152 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.893 10.135 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.171 9.782 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.583 9.824 4.399 1.00 0.00 H new ATOM 258 N VAL A 19 -17.213 15.172 3.942 1.00 0.00 N ATOM 259 CA VAL A 19 -17.280 16.328 4.819 1.00 0.00 C ATOM 260 C VAL A 19 -16.299 17.394 4.327 1.00 0.00 C ATOM 261 O VAL A 19 -16.712 18.447 3.844 1.00 0.00 O ATOM 262 CB VAL A 19 -17.023 15.902 6.266 1.00 0.00 C ATOM 263 CG1 VAL A 19 -17.070 17.107 7.209 1.00 0.00 C ATOM 264 CG2 VAL A 19 -18.016 14.824 6.705 1.00 0.00 C ATOM 0 H VAL A 19 -17.090 14.280 4.421 1.00 0.00 H new ATOM 0 HA VAL A 19 -18.277 16.768 4.795 1.00 0.00 H new ATOM 0 HB VAL A 19 -16.021 15.475 6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.884 16.777 8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.307 17.828 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -18.053 17.575 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -17.811 14.539 7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -19.032 15.213 6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -17.914 13.951 6.061 1.00 0.00 H new ATOM 274 N GLY A 20 -15.018 17.084 4.466 1.00 0.00 N ATOM 275 CA GLY A 20 -13.975 18.002 4.042 1.00 0.00 C ATOM 276 C GLY A 20 -13.335 17.537 2.732 1.00 0.00 C ATOM 277 O GLY A 20 -12.335 18.101 2.291 1.00 0.00 O ATOM 0 H GLY A 20 -14.679 16.209 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.394 19.000 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.213 18.075 4.818 1.00 0.00 H new ATOM 281 N HIS A 21 -13.939 16.513 2.147 1.00 0.00 N ATOM 282 CA HIS A 21 -13.441 15.966 0.896 1.00 0.00 C ATOM 283 C HIS A 21 -12.012 15.454 1.093 1.00 0.00 C ATOM 284 O HIS A 21 -11.106 15.833 0.352 1.00 0.00 O ATOM 285 CB HIS A 21 -13.552 16.995 -0.230 1.00 0.00 C ATOM 286 CG HIS A 21 -14.972 17.361 -0.589 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.528 18.593 -0.289 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.942 16.646 -1.228 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.777 18.607 -0.730 1.00 0.00 C ATOM 290 NE2 HIS A 21 -17.032 17.399 -1.311 1.00 0.00 N ATOM 0 H HIS A 21 -14.768 16.048 2.516 1.00 0.00 H new ATOM 0 HA HIS A 21 -14.056 15.118 0.595 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.018 17.899 0.063 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -13.053 16.604 -1.117 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.840 15.638 -1.603 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.471 19.430 -0.645 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.915 17.120 -1.739 1.00 0.00 H new ATOM 298 N GLN A 22 -11.856 14.602 2.095 1.00 0.00 N ATOM 299 CA GLN A 22 -10.553 14.034 2.399 1.00 0.00 C ATOM 300 C GLN A 22 -10.609 12.507 2.326 1.00 0.00 C ATOM 301 O GLN A 22 -11.354 11.873 3.072 1.00 0.00 O ATOM 302 CB GLN A 22 -10.058 14.500 3.770 1.00 0.00 C ATOM 303 CG GLN A 22 -10.866 15.702 4.265 1.00 0.00 C ATOM 304 CD GLN A 22 -10.609 15.959 5.751 1.00 0.00 C ATOM 305 OE1 GLN A 22 -10.247 17.048 6.165 1.00 0.00 O ATOM 306 NE2 GLN A 22 -10.816 14.900 6.528 1.00 0.00 N ATOM 0 H GLN A 22 -12.610 14.291 2.707 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.841 14.388 1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.139 13.683 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.003 14.767 3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.599 16.587 3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.929 15.523 4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.119 14.017 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.672 14.971 7.535 1.00 0.00 H new ATOM 315 N LEU A 23 -9.812 11.960 1.420 1.00 0.00 N ATOM 316 CA LEU A 23 -9.762 10.519 1.239 1.00 0.00 C ATOM 317 C LEU A 23 -8.947 9.896 2.374 1.00 0.00 C ATOM 318 O LEU A 23 -7.812 10.301 2.623 1.00 0.00 O ATOM 319 CB LEU A 23 -9.240 10.172 -0.156 1.00 0.00 C ATOM 320 CG LEU A 23 -8.876 8.704 -0.390 1.00 0.00 C ATOM 321 CD1 LEU A 23 -7.407 8.443 -0.053 1.00 0.00 C ATOM 322 CD2 LEU A 23 -9.815 7.776 0.384 1.00 0.00 C ATOM 0 H LEU A 23 -9.195 12.489 0.803 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.764 10.093 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.996 10.459 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.358 10.781 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.007 8.484 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.175 7.393 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.773 9.065 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.225 8.685 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.534 6.739 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.739 7.989 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.841 7.938 0.053 1.00 0.00 H new ATOM 334 N ILE A 24 -9.556 8.920 3.031 1.00 0.00 N ATOM 335 CA ILE A 24 -8.901 8.237 4.133 1.00 0.00 C ATOM 336 C ILE A 24 -8.318 6.914 3.633 1.00 0.00 C ATOM 337 O ILE A 24 -9.005 6.141 2.967 1.00 0.00 O ATOM 338 CB ILE A 24 -9.862 8.078 5.313 1.00 0.00 C ATOM 339 CG1 ILE A 24 -9.974 9.381 6.108 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.454 6.899 6.198 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.461 10.526 5.219 1.00 0.00 C ATOM 0 H ILE A 24 -10.497 8.586 2.821 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.068 8.832 4.508 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.853 7.855 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.663 9.245 6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.004 9.635 6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.154 6.809 7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.468 5.981 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.449 7.066 6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.532 11.440 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.757 10.676 4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.442 10.279 4.813 1.00 0.00 H new ATOM 353 N VAL A 25 -7.057 6.693 3.974 1.00 0.00 N ATOM 354 CA VAL A 25 -6.374 5.477 3.568 1.00 0.00 C ATOM 355 C VAL A 25 -5.694 4.848 4.785 1.00 0.00 C ATOM 356 O VAL A 25 -4.838 5.469 5.413 1.00 0.00 O ATOM 357 CB VAL A 25 -5.398 5.780 2.429 1.00 0.00 C ATOM 358 CG1 VAL A 25 -4.464 4.594 2.177 1.00 0.00 C ATOM 359 CG2 VAL A 25 -6.148 6.168 1.153 1.00 0.00 C ATOM 0 H VAL A 25 -6.490 7.336 4.527 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.088 4.749 3.182 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.786 6.630 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.781 4.836 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.892 4.383 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.053 3.717 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.431 6.378 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.796 5.347 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.751 7.056 1.341 1.00 0.00 H new ATOM 369 N THR A 26 -6.101 3.622 5.083 1.00 0.00 N ATOM 370 CA THR A 26 -5.542 2.902 6.215 1.00 0.00 C ATOM 371 C THR A 26 -4.863 1.614 5.745 1.00 0.00 C ATOM 372 O THR A 26 -5.459 0.826 5.012 1.00 0.00 O ATOM 373 CB THR A 26 -6.666 2.663 7.225 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.617 3.806 8.075 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.371 1.489 8.161 1.00 0.00 C ATOM 0 H THR A 26 -6.811 3.109 4.560 1.00 0.00 H new ATOM 0 HA THR A 26 -4.762 3.483 6.707 1.00 0.00 H new ATOM 0 HB THR A 26 -7.599 2.478 6.693 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.796 3.781 8.609 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.200 1.362 8.858 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.247 0.578 7.575 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.456 1.689 8.718 1.00 0.00 H new ATOM 383 N ILE A 27 -3.626 1.440 6.185 1.00 0.00 N ATOM 384 CA ILE A 27 -2.860 0.261 5.818 1.00 0.00 C ATOM 385 C ILE A 27 -2.871 -0.731 6.983 1.00 0.00 C ATOM 386 O ILE A 27 -1.982 -0.708 7.832 1.00 0.00 O ATOM 387 CB ILE A 27 -1.454 0.657 5.361 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.513 1.577 4.140 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.593 -0.582 5.105 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.195 0.880 2.961 1.00 0.00 C ATOM 0 H ILE A 27 -3.135 2.096 6.792 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.318 -0.241 4.966 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.979 1.220 6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.056 2.488 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.504 1.876 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.401 -0.274 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.512 -1.164 6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.055 -1.192 4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.224 1.556 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.636 -0.017 2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.212 0.604 3.240 1.00 0.00 H new ATOM 402 N LEU A 28 -3.888 -1.581 6.984 1.00 0.00 N ATOM 403 CA LEU A 28 -4.027 -2.580 8.030 1.00 0.00 C ATOM 404 C LEU A 28 -2.720 -3.364 8.157 1.00 0.00 C ATOM 405 O LEU A 28 -1.773 -2.900 8.790 1.00 0.00 O ATOM 406 CB LEU A 28 -5.250 -3.461 7.770 1.00 0.00 C ATOM 407 CG LEU A 28 -6.608 -2.759 7.828 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.630 -3.465 6.936 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.099 -2.632 9.272 1.00 0.00 C ATOM 0 H LEU A 28 -4.623 -1.598 6.277 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.207 -2.101 8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.141 -3.918 6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.251 -4.271 8.499 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.486 -1.748 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.586 -2.945 6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.278 -3.459 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.755 -4.495 7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.066 -2.129 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.200 -3.625 9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.381 -2.051 9.851 1.00 0.00 H new ATOM 421 N GLY A 29 -2.710 -4.539 7.546 1.00 0.00 N ATOM 422 CA GLY A 29 -1.534 -5.392 7.582 1.00 0.00 C ATOM 423 C GLY A 29 -1.547 -6.394 6.426 1.00 0.00 C ATOM 424 O GLY A 29 -2.541 -6.508 5.710 1.00 0.00 O ATOM 0 H GLY A 29 -3.498 -4.921 7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.634 -4.779 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.497 -5.927 8.531 1.00 0.00 H new ATOM 428 N ALA A 30 -0.432 -7.093 6.278 1.00 0.00 N ATOM 429 CA ALA A 30 -0.302 -8.081 5.221 1.00 0.00 C ATOM 430 C ALA A 30 -0.279 -9.481 5.837 1.00 0.00 C ATOM 431 O ALA A 30 0.080 -9.645 7.002 1.00 0.00 O ATOM 432 CB ALA A 30 0.953 -7.786 4.397 1.00 0.00 C ATOM 0 H ALA A 30 0.391 -6.995 6.873 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.155 -8.033 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.050 -8.528 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.874 -6.792 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.830 -7.828 5.043 1.00 0.00 H new ATOM 438 N LYS A 31 -0.666 -10.456 5.027 1.00 0.00 N ATOM 439 CA LYS A 31 -0.694 -11.837 5.478 1.00 0.00 C ATOM 440 C LYS A 31 -0.283 -12.754 4.325 1.00 0.00 C ATOM 441 O LYS A 31 -0.320 -12.351 3.163 1.00 0.00 O ATOM 442 CB LYS A 31 -2.060 -12.177 6.078 1.00 0.00 C ATOM 443 CG LYS A 31 -3.132 -12.259 4.989 1.00 0.00 C ATOM 444 CD LYS A 31 -3.314 -13.700 4.507 1.00 0.00 C ATOM 445 CE LYS A 31 -4.377 -14.425 5.335 1.00 0.00 C ATOM 446 NZ LYS A 31 -3.824 -15.670 5.912 1.00 0.00 N ATOM 0 H LYS A 31 -0.963 -10.317 4.061 1.00 0.00 H new ATOM 0 HA LYS A 31 0.028 -11.991 6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.002 -13.127 6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.338 -11.420 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.078 -11.879 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.852 -11.623 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.603 -13.702 3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.366 -14.234 4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.731 -13.773 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.238 -14.659 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.600 -16.328 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.174 -16.110 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.308 -15.448 6.787 1.00 0.00 H new ATOM 460 N ASP A 32 0.099 -13.971 4.685 1.00 0.00 N ATOM 461 CA ASP A 32 0.516 -14.948 3.694 1.00 0.00 C ATOM 462 C ASP A 32 1.703 -14.394 2.905 1.00 0.00 C ATOM 463 O ASP A 32 1.628 -14.244 1.687 1.00 0.00 O ATOM 464 CB ASP A 32 -0.613 -15.245 2.704 1.00 0.00 C ATOM 465 CG ASP A 32 -1.650 -16.258 3.191 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.672 -16.504 4.417 1.00 0.00 O ATOM 467 OD2 ASP A 32 -2.398 -16.764 2.327 1.00 0.00 O ATOM 0 H ASP A 32 0.128 -14.302 5.649 1.00 0.00 H new ATOM 0 HA ASP A 32 0.787 -15.865 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.123 -14.311 2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.175 -15.614 1.776 1.00 0.00 H new ATOM 472 N LEU A 33 2.773 -14.105 3.632 1.00 0.00 N ATOM 473 CA LEU A 33 3.975 -13.570 3.016 1.00 0.00 C ATOM 474 C LEU A 33 4.997 -14.695 2.841 1.00 0.00 C ATOM 475 O LEU A 33 4.873 -15.752 3.457 1.00 0.00 O ATOM 476 CB LEU A 33 4.503 -12.378 3.816 1.00 0.00 C ATOM 477 CG LEU A 33 4.034 -10.997 3.352 1.00 0.00 C ATOM 478 CD1 LEU A 33 2.628 -11.069 2.754 1.00 0.00 C ATOM 479 CD2 LEU A 33 4.122 -9.978 4.490 1.00 0.00 C ATOM 0 H LEU A 33 2.832 -14.232 4.642 1.00 0.00 H new ATOM 0 HA LEU A 33 3.753 -13.183 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.211 -12.508 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.592 -12.399 3.785 1.00 0.00 H new ATOM 0 HG LEU A 33 4.703 -10.656 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.318 -10.075 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.631 -11.743 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.931 -11.440 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.783 -9.005 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.491 -10.302 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.155 -9.900 4.830 1.00 0.00 H new ATOM 612 N ARG A 42 11.874 -11.253 7.508 1.00 0.00 N ATOM 613 CA ARG A 42 12.194 -10.062 6.739 1.00 0.00 C ATOM 614 C ARG A 42 11.484 -8.842 7.330 1.00 0.00 C ATOM 615 O ARG A 42 10.776 -8.955 8.329 1.00 0.00 O ATOM 616 CB ARG A 42 11.780 -10.225 5.275 1.00 0.00 C ATOM 617 CG ARG A 42 10.356 -10.772 5.165 1.00 0.00 C ATOM 618 CD ARG A 42 9.878 -10.769 3.711 1.00 0.00 C ATOM 619 NE ARG A 42 10.027 -12.120 3.126 1.00 0.00 N ATOM 620 CZ ARG A 42 10.321 -12.353 1.840 1.00 0.00 C ATOM 621 NH1 ARG A 42 10.498 -11.327 0.996 1.00 0.00 N ATOM 622 NH2 ARG A 42 10.436 -13.613 1.397 1.00 0.00 N ATOM 0 HA ARG A 42 13.273 -9.916 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.844 -9.263 4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.472 -10.899 4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.321 -11.787 5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.683 -10.169 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.835 -10.456 3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.454 -10.047 3.132 1.00 0.00 H new ATOM 0 HE ARG A 42 9.898 -12.924 3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.409 -10.368 1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.722 -11.505 0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.300 -14.394 2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.660 -13.791 0.418 1.00 0.00 H new ATOM 636 N ASN A 43 11.697 -7.704 6.686 1.00 0.00 N ATOM 637 CA ASN A 43 11.087 -6.464 7.136 1.00 0.00 C ATOM 638 C ASN A 43 10.145 -5.941 6.049 1.00 0.00 C ATOM 639 O ASN A 43 10.541 -5.123 5.220 1.00 0.00 O ATOM 640 CB ASN A 43 12.146 -5.392 7.399 1.00 0.00 C ATOM 641 CG ASN A 43 13.139 -5.854 8.467 1.00 0.00 C ATOM 642 OD1 ASN A 43 12.971 -6.878 9.108 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.182 -5.042 8.623 1.00 0.00 N ATOM 0 H ASN A 43 12.283 -7.614 5.856 1.00 0.00 H new ATOM 0 HA ASN A 43 10.546 -6.670 8.060 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.679 -5.167 6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.663 -4.470 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.901 -5.262 9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.262 -4.200 8.053 1.00 0.00 H new ATOM 650 N PRO A 44 8.884 -6.448 6.089 1.00 0.00 N ATOM 651 CA PRO A 44 7.883 -6.041 5.118 1.00 0.00 C ATOM 652 C PRO A 44 7.364 -4.635 5.422 1.00 0.00 C ATOM 653 O PRO A 44 7.137 -4.290 6.580 1.00 0.00 O ATOM 654 CB PRO A 44 6.800 -7.105 5.200 1.00 0.00 C ATOM 655 CG PRO A 44 7.007 -7.808 6.531 1.00 0.00 C ATOM 656 CD PRO A 44 8.379 -7.419 7.056 1.00 0.00 C ATOM 0 HA PRO A 44 8.282 -5.974 4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.808 -6.657 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.879 -7.808 4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.231 -7.519 7.240 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.938 -8.889 6.406 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.313 -6.986 8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.036 -8.286 7.127 1.00 0.00 H new ATOM 664 N TYR A 45 7.192 -3.860 4.361 1.00 0.00 N ATOM 665 CA TYR A 45 6.704 -2.498 4.500 1.00 0.00 C ATOM 666 C TYR A 45 5.931 -2.063 3.253 1.00 0.00 C ATOM 667 O TYR A 45 6.402 -2.245 2.131 1.00 0.00 O ATOM 668 CB TYR A 45 7.947 -1.618 4.648 1.00 0.00 C ATOM 669 CG TYR A 45 8.604 -1.240 3.319 1.00 0.00 C ATOM 670 CD1 TYR A 45 8.008 -0.307 2.496 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.792 -1.834 2.943 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.627 0.049 1.245 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.411 -1.478 1.693 1.00 0.00 C ATOM 674 CZ TYR A 45 9.798 -0.554 0.905 1.00 0.00 C ATOM 675 OH TYR A 45 10.382 -0.219 -0.276 1.00 0.00 O ATOM 0 H TYR A 45 7.382 -4.149 3.401 1.00 0.00 H new ATOM 0 HA TYR A 45 6.030 -2.417 5.353 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.673 -0.706 5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.677 -2.139 5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.078 0.156 2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.257 -2.566 3.587 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.172 0.778 0.592 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.341 -1.934 1.388 1.00 0.00 H new ATOM 0 HH TYR A 45 11.212 -0.728 -0.386 1.00 0.00 H new ATOM 685 N VAL A 46 4.758 -1.495 3.492 1.00 0.00 N ATOM 686 CA VAL A 46 3.915 -1.032 2.402 1.00 0.00 C ATOM 687 C VAL A 46 4.365 0.366 1.973 1.00 0.00 C ATOM 688 O VAL A 46 5.083 1.043 2.708 1.00 0.00 O ATOM 689 CB VAL A 46 2.444 -1.085 2.820 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.525 -0.872 1.616 1.00 0.00 C ATOM 691 CG2 VAL A 46 2.122 -2.402 3.529 1.00 0.00 C ATOM 0 H VAL A 46 4.371 -1.345 4.424 1.00 0.00 H new ATOM 0 HA VAL A 46 4.017 -1.686 1.536 1.00 0.00 H new ATOM 0 HB VAL A 46 2.267 -0.273 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.485 -0.914 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.727 0.103 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.707 -1.652 0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.070 -2.413 3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.324 -3.236 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.742 -2.496 4.421 1.00 0.00 H new ATOM 701 N LYS A 47 3.926 0.756 0.786 1.00 0.00 N ATOM 702 CA LYS A 47 4.275 2.061 0.251 1.00 0.00 C ATOM 703 C LYS A 47 3.122 2.578 -0.612 1.00 0.00 C ATOM 704 O LYS A 47 2.872 2.057 -1.698 1.00 0.00 O ATOM 705 CB LYS A 47 5.614 1.997 -0.486 1.00 0.00 C ATOM 706 CG LYS A 47 6.212 3.395 -0.658 1.00 0.00 C ATOM 707 CD LYS A 47 7.724 3.321 -0.882 1.00 0.00 C ATOM 708 CE LYS A 47 8.047 2.678 -2.232 1.00 0.00 C ATOM 709 NZ LYS A 47 9.121 1.669 -2.081 1.00 0.00 N ATOM 0 H LYS A 47 3.332 0.191 0.179 1.00 0.00 H new ATOM 0 HA LYS A 47 4.416 2.779 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.309 1.366 0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.474 1.535 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.740 3.895 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.001 3.996 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.151 4.323 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.186 2.745 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.153 2.208 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.357 3.445 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.058 0.977 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.047 2.141 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.012 1.180 -1.170 1.00 0.00 H new ATOM 723 N ILE A 48 2.450 3.597 -0.096 1.00 0.00 N ATOM 724 CA ILE A 48 1.330 4.191 -0.806 1.00 0.00 C ATOM 725 C ILE A 48 1.838 5.331 -1.690 1.00 0.00 C ATOM 726 O ILE A 48 2.852 5.956 -1.381 1.00 0.00 O ATOM 727 CB ILE A 48 0.236 4.614 0.177 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.151 3.457 1.099 1.00 0.00 C ATOM 729 CG2 ILE A 48 -0.974 5.188 -0.563 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.121 3.890 2.566 1.00 0.00 C ATOM 0 H ILE A 48 2.660 4.026 0.805 1.00 0.00 H new ATOM 0 HA ILE A 48 0.866 3.459 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 48 0.633 5.408 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.148 3.101 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.534 2.623 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.737 5.481 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.667 6.060 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.381 4.433 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.400 3.048 3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.884 4.223 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.825 4.708 2.718 1.00 0.00 H new ATOM 742 N TYR A 49 1.110 5.569 -2.772 1.00 0.00 N ATOM 743 CA TYR A 49 1.475 6.623 -3.702 1.00 0.00 C ATOM 744 C TYR A 49 0.240 7.175 -4.418 1.00 0.00 C ATOM 745 O TYR A 49 -0.233 6.587 -5.389 1.00 0.00 O ATOM 746 CB TYR A 49 2.400 5.974 -4.734 1.00 0.00 C ATOM 747 CG TYR A 49 3.887 6.079 -4.389 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.536 7.292 -4.494 1.00 0.00 C ATOM 749 CD2 TYR A 49 4.579 4.959 -3.974 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.936 7.390 -4.170 1.00 0.00 C ATOM 751 CE2 TYR A 49 5.979 5.058 -3.649 1.00 0.00 C ATOM 752 CZ TYR A 49 6.588 6.268 -3.763 1.00 0.00 C ATOM 753 OH TYR A 49 7.910 6.361 -3.457 1.00 0.00 O ATOM 0 H TYR A 49 0.269 5.050 -3.025 1.00 0.00 H new ATOM 0 HA TYR A 49 1.951 7.451 -3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.134 4.922 -4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.229 6.440 -5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.994 8.168 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.071 4.009 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.456 8.333 -4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.532 4.190 -3.322 1.00 0.00 H new ATOM 0 HH TYR A 49 8.134 5.699 -2.770 1.00 0.00 H new ATOM 763 N PHE A 50 -0.247 8.297 -3.909 1.00 0.00 N ATOM 764 CA PHE A 50 -1.418 8.934 -4.487 1.00 0.00 C ATOM 765 C PHE A 50 -1.114 9.476 -5.885 1.00 0.00 C ATOM 766 O PHE A 50 -0.643 10.603 -6.028 1.00 0.00 O ATOM 767 CB PHE A 50 -1.791 10.101 -3.570 1.00 0.00 C ATOM 768 CG PHE A 50 -3.206 10.638 -3.792 1.00 0.00 C ATOM 769 CD1 PHE A 50 -4.283 9.870 -3.475 1.00 0.00 C ATOM 770 CD2 PHE A 50 -3.388 11.885 -4.305 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.596 10.369 -3.680 1.00 0.00 C ATOM 772 CE2 PHE A 50 -4.701 12.384 -4.510 1.00 0.00 C ATOM 773 CZ PHE A 50 -5.778 11.616 -4.194 1.00 0.00 C ATOM 0 H PHE A 50 0.148 8.781 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.229 8.211 -4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.694 9.780 -2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.078 10.911 -3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.139 8.880 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.533 12.495 -4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.451 9.759 -3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.845 13.374 -4.917 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.777 11.995 -4.351 1.00 0.00 H new ATOM 783 N LEU A 51 -1.394 8.648 -6.880 1.00 0.00 N ATOM 784 CA LEU A 51 -1.156 9.030 -8.262 1.00 0.00 C ATOM 785 C LEU A 51 -2.217 10.043 -8.696 1.00 0.00 C ATOM 786 O LEU A 51 -3.315 10.073 -8.142 1.00 0.00 O ATOM 787 CB LEU A 51 -1.086 7.791 -9.156 1.00 0.00 C ATOM 788 CG LEU A 51 0.287 7.126 -9.275 1.00 0.00 C ATOM 789 CD1 LEU A 51 0.991 7.075 -7.918 1.00 0.00 C ATOM 790 CD2 LEU A 51 0.173 5.741 -9.914 1.00 0.00 C ATOM 0 H LEU A 51 -1.784 7.713 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.187 9.520 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.793 7.053 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.421 8.069 -10.155 1.00 0.00 H new ATOM 0 HG LEU A 51 0.905 7.735 -9.936 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.964 6.598 -8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.125 8.088 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.386 6.503 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.163 5.291 -9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.469 5.109 -9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.257 5.835 -10.911 1.00 0.00 H new ATOM 933 N ARG A 60 3.497 8.392 0.953 1.00 0.00 N ATOM 934 CA ARG A 60 3.342 7.947 2.327 1.00 0.00 C ATOM 935 C ARG A 60 3.749 6.478 2.458 1.00 0.00 C ATOM 936 O ARG A 60 3.455 5.668 1.580 1.00 0.00 O ATOM 937 CB ARG A 60 1.896 8.113 2.800 1.00 0.00 C ATOM 938 CG ARG A 60 1.833 8.908 4.105 1.00 0.00 C ATOM 939 CD ARG A 60 1.558 10.389 3.832 1.00 0.00 C ATOM 940 NE ARG A 60 0.340 10.818 4.554 1.00 0.00 N ATOM 941 CZ ARG A 60 0.325 11.214 5.834 1.00 0.00 C ATOM 942 NH1 ARG A 60 1.463 11.238 6.541 1.00 0.00 N ATOM 943 NH2 ARG A 60 -0.827 11.587 6.407 1.00 0.00 N ATOM 0 HA ARG A 60 3.989 8.564 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.315 8.622 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.442 7.133 2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.050 8.501 4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.774 8.803 4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.410 10.990 4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.433 10.553 2.762 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.544 10.812 4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.340 10.955 6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.452 11.539 7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.693 11.570 5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.838 11.888 7.381 1.00 0.00 H new ATOM 957 N ARG A 61 4.418 6.179 3.562 1.00 0.00 N ATOM 958 CA ARG A 61 4.868 4.822 3.819 1.00 0.00 C ATOM 959 C ARG A 61 4.675 4.469 5.295 1.00 0.00 C ATOM 960 O ARG A 61 4.868 5.313 6.169 1.00 0.00 O ATOM 961 CB ARG A 61 6.343 4.651 3.450 1.00 0.00 C ATOM 962 CG ARG A 61 6.917 3.370 4.059 1.00 0.00 C ATOM 963 CD ARG A 61 8.380 3.178 3.655 1.00 0.00 C ATOM 964 NE ARG A 61 9.268 3.821 4.650 1.00 0.00 N ATOM 965 CZ ARG A 61 10.563 3.517 4.808 1.00 0.00 C ATOM 966 NH1 ARG A 61 11.129 2.576 4.039 1.00 0.00 N ATOM 967 NH2 ARG A 61 11.292 4.152 5.735 1.00 0.00 N ATOM 0 H ARG A 61 4.659 6.853 4.288 1.00 0.00 H new ATOM 0 HA ARG A 61 4.270 4.152 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.449 4.621 2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.912 5.512 3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.839 3.413 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.330 2.512 3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.610 2.115 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.553 3.609 2.669 1.00 0.00 H new ATOM 0 HE ARG A 61 8.869 4.540 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.574 2.092 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.115 2.344 4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.861 4.867 6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.278 3.920 5.855 1.00 0.00 H new ATOM 981 N THR A 62 4.297 3.221 5.528 1.00 0.00 N ATOM 982 CA THR A 62 4.076 2.747 6.884 1.00 0.00 C ATOM 983 C THR A 62 5.405 2.375 7.542 1.00 0.00 C ATOM 984 O THR A 62 6.411 2.190 6.858 1.00 0.00 O ATOM 985 CB THR A 62 3.082 1.585 6.822 1.00 0.00 C ATOM 986 OG1 THR A 62 3.692 0.653 5.933 1.00 0.00 O ATOM 987 CG2 THR A 62 1.776 1.967 6.122 1.00 0.00 C ATOM 0 H THR A 62 4.138 2.523 4.801 1.00 0.00 H new ATOM 0 HA THR A 62 3.647 3.528 7.511 1.00 0.00 H new ATOM 0 HB THR A 62 2.864 1.240 7.833 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.812 -0.205 6.391 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.107 1.107 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.300 2.786 6.661 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.989 2.280 5.100 1.00 0.00 H new ATOM 995 N LYS A 63 5.368 2.275 8.863 1.00 0.00 N ATOM 996 CA LYS A 63 6.557 1.929 9.622 1.00 0.00 C ATOM 997 C LYS A 63 7.100 0.587 9.126 1.00 0.00 C ATOM 998 O LYS A 63 6.331 -0.319 8.808 1.00 0.00 O ATOM 999 CB LYS A 63 6.263 1.956 11.123 1.00 0.00 C ATOM 1000 CG LYS A 63 5.004 1.148 11.449 1.00 0.00 C ATOM 1001 CD LYS A 63 5.079 0.563 12.861 1.00 0.00 C ATOM 1002 CE LYS A 63 4.152 -0.646 13.003 1.00 0.00 C ATOM 1003 NZ LYS A 63 2.831 -0.228 13.522 1.00 0.00 N ATOM 0 H LYS A 63 4.532 2.428 9.427 1.00 0.00 H new ATOM 0 HA LYS A 63 7.340 2.670 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.113 1.549 11.671 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.134 2.987 11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.125 1.787 11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.886 0.343 10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.105 0.267 13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.803 1.325 13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.031 -1.135 12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.599 -1.377 13.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.121 -0.950 13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.883 -0.118 14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.560 0.679 13.091 1.00 0.00 H new ATOM 1017 N THR A 64 8.422 0.502 9.075 1.00 0.00 N ATOM 1018 CA THR A 64 9.076 -0.714 8.623 1.00 0.00 C ATOM 1019 C THR A 64 9.116 -1.749 9.750 1.00 0.00 C ATOM 1020 O THR A 64 9.825 -1.568 10.739 1.00 0.00 O ATOM 1021 CB THR A 64 10.462 -0.337 8.096 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.194 0.352 6.878 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.276 -1.558 7.662 1.00 0.00 C ATOM 0 H THR A 64 9.057 1.255 9.339 1.00 0.00 H new ATOM 0 HA THR A 64 8.520 -1.184 7.812 1.00 0.00 H new ATOM 0 HB THR A 64 11.008 0.207 8.867 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.039 0.634 6.469 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.251 -1.234 7.296 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.411 -2.226 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.747 -2.084 6.867 1.00 0.00 H new ATOM 1031 N VAL A 65 8.345 -2.810 9.562 1.00 0.00 N ATOM 1032 CA VAL A 65 8.284 -3.874 10.550 1.00 0.00 C ATOM 1033 C VAL A 65 9.571 -4.698 10.487 1.00 0.00 C ATOM 1034 O VAL A 65 10.179 -4.827 9.426 1.00 0.00 O ATOM 1035 CB VAL A 65 7.024 -4.715 10.335 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.550 -5.339 11.649 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.913 -3.884 9.690 1.00 0.00 C ATOM 0 H VAL A 65 7.758 -2.956 8.741 1.00 0.00 H new ATOM 0 HA VAL A 65 8.214 -3.458 11.555 1.00 0.00 H new ATOM 0 HB VAL A 65 7.275 -5.526 9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.653 -5.931 11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.334 -5.981 12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.325 -4.550 12.366 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.029 -4.506 9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.665 -3.043 10.338 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.252 -3.510 8.724 1.00 0.00 H new ATOM 1047 N LYS A 66 9.949 -5.236 11.638 1.00 0.00 N ATOM 1048 CA LYS A 66 11.153 -6.044 11.727 1.00 0.00 C ATOM 1049 C LYS A 66 10.768 -7.493 12.028 1.00 0.00 C ATOM 1050 O LYS A 66 10.169 -7.778 13.065 1.00 0.00 O ATOM 1051 CB LYS A 66 12.128 -5.443 12.742 1.00 0.00 C ATOM 1052 CG LYS A 66 12.504 -4.010 12.358 1.00 0.00 C ATOM 1053 CD LYS A 66 13.946 -3.939 11.852 1.00 0.00 C ATOM 1054 CE LYS A 66 14.522 -2.533 12.033 1.00 0.00 C ATOM 1055 NZ LYS A 66 14.851 -2.288 13.455 1.00 0.00 N ATOM 0 H LYS A 66 9.442 -5.128 12.517 1.00 0.00 H new ATOM 0 HA LYS A 66 11.682 -6.046 10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.677 -5.451 13.734 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.027 -6.057 12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.826 -3.647 11.586 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.385 -3.355 13.221 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.560 -4.660 12.392 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.980 -4.217 10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.417 -2.419 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.802 -1.791 11.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.478 -1.461 13.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.976 -2.108 13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.331 -3.122 13.849 1.00 0.00 H new ATOM 1069 N LYS A 67 11.126 -8.372 11.104 1.00 0.00 N ATOM 1070 CA LYS A 67 10.826 -9.785 11.257 1.00 0.00 C ATOM 1071 C LYS A 67 9.345 -9.952 11.604 1.00 0.00 C ATOM 1072 O LYS A 67 8.957 -9.819 12.764 1.00 0.00 O ATOM 1073 CB LYS A 67 11.772 -10.427 12.274 1.00 0.00 C ATOM 1074 CG LYS A 67 13.225 -10.343 11.801 1.00 0.00 C ATOM 1075 CD LYS A 67 14.181 -10.881 12.867 1.00 0.00 C ATOM 1076 CE LYS A 67 13.977 -12.382 13.080 1.00 0.00 C ATOM 1077 NZ LYS A 67 15.024 -12.926 13.973 1.00 0.00 N ATOM 0 H LYS A 67 11.622 -8.132 10.245 1.00 0.00 H new ATOM 0 HA LYS A 67 10.997 -10.315 10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.670 -9.927 13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.495 -11.470 12.426 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.345 -10.913 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.477 -9.308 11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.211 -10.690 12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.019 -10.352 13.806 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.993 -12.564 13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.005 -12.898 12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.871 -13.946 14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.960 -12.770 13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.979 -12.445 14.894 1.00 0.00 H new ATOM 1091 N THR A 68 8.559 -10.242 10.578 1.00 0.00 N ATOM 1092 CA THR A 68 7.129 -10.429 10.760 1.00 0.00 C ATOM 1093 C THR A 68 6.467 -10.802 9.432 1.00 0.00 C ATOM 1094 O THR A 68 6.372 -9.975 8.527 1.00 0.00 O ATOM 1095 CB THR A 68 6.561 -9.153 11.384 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.452 -9.608 12.154 1.00 0.00 O ATOM 1097 CG2 THR A 68 5.937 -8.220 10.345 1.00 0.00 C ATOM 0 H THR A 68 8.885 -10.352 9.618 1.00 0.00 H new ATOM 0 HA THR A 68 6.921 -11.259 11.436 1.00 0.00 H new ATOM 0 HB THR A 68 7.353 -8.625 11.915 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.025 -8.844 12.596 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.549 -7.330 10.841 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.694 -7.929 9.617 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.123 -8.735 9.836 1.00 0.00 H new ATOM 1105 N LEU A 69 6.026 -12.050 9.357 1.00 0.00 N ATOM 1106 CA LEU A 69 5.376 -12.543 8.155 1.00 0.00 C ATOM 1107 C LEU A 69 4.033 -11.831 7.979 1.00 0.00 C ATOM 1108 O LEU A 69 3.511 -11.749 6.868 1.00 0.00 O ATOM 1109 CB LEU A 69 5.263 -14.068 8.194 1.00 0.00 C ATOM 1110 CG LEU A 69 6.395 -14.842 7.514 1.00 0.00 C ATOM 1111 CD1 LEU A 69 7.745 -14.165 7.757 1.00 0.00 C ATOM 1112 CD2 LEU A 69 6.400 -16.306 7.957 1.00 0.00 C ATOM 0 H LEU A 69 6.106 -12.734 10.109 1.00 0.00 H new ATOM 0 HA LEU A 69 5.977 -12.314 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.210 -14.382 9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.321 -14.355 7.726 1.00 0.00 H new ATOM 0 HG LEU A 69 6.219 -14.831 6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.532 -14.735 7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.722 -13.153 7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.944 -14.124 8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.214 -16.834 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.540 -16.359 9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.450 -16.770 7.691 1.00 0.00 H new ATOM 1124 N GLU A 70 3.512 -11.335 9.091 1.00 0.00 N ATOM 1125 CA GLU A 70 2.240 -10.633 9.073 1.00 0.00 C ATOM 1126 C GLU A 70 2.375 -9.272 9.759 1.00 0.00 C ATOM 1127 O GLU A 70 2.185 -9.161 10.969 1.00 0.00 O ATOM 1128 CB GLU A 70 1.142 -11.471 9.730 1.00 0.00 C ATOM 1129 CG GLU A 70 0.289 -12.180 8.677 1.00 0.00 C ATOM 1130 CD GLU A 70 -0.578 -13.268 9.315 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -1.573 -12.889 9.969 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -0.227 -14.453 9.133 1.00 0.00 O ATOM 0 H GLU A 70 3.947 -11.405 10.011 1.00 0.00 H new ATOM 0 HA GLU A 70 1.953 -10.468 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.591 -12.208 10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.509 -10.830 10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.347 -11.454 8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.935 -12.623 7.919 1.00 0.00 H new ATOM 1139 N PRO A 71 2.711 -8.243 8.935 1.00 0.00 N ATOM 1140 CA PRO A 71 2.874 -6.894 9.449 1.00 0.00 C ATOM 1141 C PRO A 71 1.517 -6.255 9.750 1.00 0.00 C ATOM 1142 O PRO A 71 0.540 -6.503 9.046 1.00 0.00 O ATOM 1143 CB PRO A 71 3.653 -6.155 8.374 1.00 0.00 C ATOM 1144 CG PRO A 71 3.495 -6.976 7.105 1.00 0.00 C ATOM 1145 CD PRO A 71 2.944 -8.338 7.497 1.00 0.00 C ATOM 0 HA PRO A 71 3.408 -6.867 10.399 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.266 -5.145 8.236 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.703 -6.060 8.649 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.821 -6.477 6.409 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.454 -7.084 6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.022 -8.562 6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.651 -9.134 7.262 1.00 0.00 H new ATOM 1153 N LYS A 72 1.500 -5.445 10.798 1.00 0.00 N ATOM 1154 CA LYS A 72 0.279 -4.768 11.202 1.00 0.00 C ATOM 1155 C LYS A 72 0.574 -3.283 11.425 1.00 0.00 C ATOM 1156 O LYS A 72 1.032 -2.892 12.497 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.342 -5.461 12.416 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.860 -6.852 12.048 1.00 0.00 C ATOM 1159 CD LYS A 72 -2.036 -7.253 12.940 1.00 0.00 C ATOM 1160 CE LYS A 72 -1.578 -8.179 14.069 1.00 0.00 C ATOM 1161 NZ LYS A 72 -2.734 -8.613 14.885 1.00 0.00 N ATOM 0 H LYS A 72 2.313 -5.242 11.380 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.470 -4.830 10.412 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.399 -5.544 13.211 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.160 -4.856 12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.171 -6.863 11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.057 -7.582 12.149 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.498 -6.360 13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.797 -7.753 12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.073 -9.050 13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.854 -7.663 14.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.405 -9.241 15.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.199 -7.780 15.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.411 -9.124 14.283 1.00 0.00 H new ATOM 1175 N TRP A 73 0.300 -2.497 10.394 1.00 0.00 N ATOM 1176 CA TRP A 73 0.530 -1.064 10.464 1.00 0.00 C ATOM 1177 C TRP A 73 -0.756 -0.402 10.964 1.00 0.00 C ATOM 1178 O TRP A 73 -0.719 0.428 11.871 1.00 0.00 O ATOM 1179 CB TRP A 73 0.997 -0.517 9.114 1.00 0.00 C ATOM 1180 CG TRP A 73 2.071 -1.369 8.436 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.398 -1.329 8.624 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.855 -2.398 7.447 1.00 0.00 C ATOM 1183 NE1 TRP A 73 4.049 -2.252 7.831 1.00 0.00 N ATOM 1184 CE2 TRP A 73 3.081 -2.923 7.093 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.662 -2.869 6.870 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 3.234 -3.946 6.150 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.832 -3.892 5.929 1.00 0.00 C ATOM 1188 CH2 TRP A 73 2.059 -4.431 5.562 1.00 0.00 C ATOM 0 H TRP A 73 -0.079 -2.825 9.506 1.00 0.00 H new ATOM 0 HA TRP A 73 1.334 -0.837 11.164 1.00 0.00 H new ATOM 0 HB2 TRP A 73 0.137 -0.437 8.449 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.384 0.492 9.257 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.895 -0.659 9.310 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.056 -2.412 7.793 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.308 -2.473 7.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.205 -4.340 5.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.053 -4.290 5.455 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.106 -5.220 4.827 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.863 -0.795 10.351 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.158 -0.251 10.723 1.00 0.00 C ATOM 1201 C ASN A 74 -3.019 1.250 10.985 1.00 0.00 C ATOM 1202 O ASN A 74 -3.489 1.752 12.005 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.685 -0.907 12.000 1.00 0.00 C ATOM 1204 CG ASN A 74 -4.557 -2.121 11.673 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -4.133 -3.068 11.032 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -5.797 -2.040 12.148 1.00 0.00 N ATOM 0 H ASN A 74 -1.890 -1.484 9.599 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.853 -0.445 9.906 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.848 -1.214 12.627 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.264 -0.183 12.573 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.457 -2.800 11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.088 -1.218 12.677 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.372 1.925 10.046 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.165 3.359 10.163 1.00 0.00 C ATOM 1215 C GLN A 75 -3.284 4.116 9.446 1.00 0.00 C ATOM 1216 O GLN A 75 -4.183 3.505 8.870 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.794 3.761 9.618 1.00 0.00 C ATOM 1218 CG GLN A 75 0.317 3.399 10.607 1.00 0.00 C ATOM 1219 CD GLN A 75 1.076 4.648 11.059 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.582 5.467 11.817 1.00 0.00 O ATOM 1221 NE2 GLN A 75 2.302 4.748 10.554 1.00 0.00 N ATOM 0 H GLN A 75 -1.984 1.506 9.201 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.191 3.626 11.220 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.616 3.260 8.666 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.777 4.833 9.422 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.112 2.896 11.474 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.009 2.697 10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.655 4.027 9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.890 5.546 10.796 1.00 0.00 H new ATOM 1230 N THR A 76 -3.193 5.437 9.504 1.00 0.00 N ATOM 1231 CA THR A 76 -4.186 6.284 8.867 1.00 0.00 C ATOM 1232 C THR A 76 -3.512 7.274 7.915 1.00 0.00 C ATOM 1233 O THR A 76 -2.398 7.729 8.173 1.00 0.00 O ATOM 1234 CB THR A 76 -5.005 6.962 9.967 1.00 0.00 C ATOM 1235 OG1 THR A 76 -5.794 5.908 10.512 1.00 0.00 O ATOM 1236 CG2 THR A 76 -6.035 7.946 9.409 1.00 0.00 C ATOM 0 H THR A 76 -2.446 5.941 9.983 1.00 0.00 H new ATOM 0 HA THR A 76 -4.866 5.698 8.249 1.00 0.00 H new ATOM 0 HB THR A 76 -4.334 7.486 10.648 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.356 6.260 11.234 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.588 8.399 10.232 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.524 8.725 8.843 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.727 7.416 8.754 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.214 7.579 6.834 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.697 8.506 5.842 1.00 0.00 C ATOM 1246 C PHE A 77 -4.834 9.267 5.157 1.00 0.00 C ATOM 1247 O PHE A 77 -5.635 8.675 4.435 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.954 7.673 4.795 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.779 6.872 5.358 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.713 7.518 5.902 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.799 5.513 5.315 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.378 6.774 6.425 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.709 4.769 5.837 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.357 5.415 6.381 1.00 0.00 C ATOM 0 H PHE A 77 -5.137 7.200 6.623 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.044 9.236 6.320 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.658 6.985 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.587 8.336 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.696 8.597 5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.645 4.999 4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.224 7.287 6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.726 3.690 5.802 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.187 4.849 6.778 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.869 10.567 5.408 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.894 11.415 4.825 1.00 0.00 C ATOM 1266 C ILE A 78 -5.294 12.207 3.661 1.00 0.00 C ATOM 1267 O ILE A 78 -4.156 12.667 3.740 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.538 12.294 5.899 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.470 11.473 6.793 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -7.255 13.491 5.272 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.390 11.943 8.247 1.00 0.00 C ATOM 0 H ILE A 78 -4.203 11.054 6.008 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.702 10.808 4.416 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.746 12.690 6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.495 11.562 6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.202 10.418 6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.704 14.099 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.538 14.092 4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.035 13.136 4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.062 11.343 8.861 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.369 11.830 8.610 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.682 12.991 8.307 1.00 0.00 H new ATOM 1283 N TYR A 79 -6.087 12.342 2.608 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.649 13.071 1.430 1.00 0.00 C ATOM 1285 C TYR A 79 -6.753 13.995 0.914 1.00 0.00 C ATOM 1286 O TYR A 79 -7.822 13.532 0.520 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.349 12.012 0.367 1.00 0.00 C ATOM 1288 CG TYR A 79 -4.126 11.146 0.678 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.871 11.718 0.731 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -4.278 9.794 0.905 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.721 10.904 1.024 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -3.127 8.979 1.198 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.905 9.574 1.243 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.819 8.805 1.520 1.00 0.00 O ATOM 0 H TYR A 79 -7.030 11.959 2.546 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.782 13.689 1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.220 11.366 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.196 12.508 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.752 12.776 0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.260 9.346 0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.734 11.339 1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.232 7.919 1.378 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.690 8.759 2.490 1.00 0.00 H new ATOM 1304 N SER A 80 -6.457 15.287 0.933 1.00 0.00 N ATOM 1305 CA SER A 80 -7.411 16.281 0.472 1.00 0.00 C ATOM 1306 C SER A 80 -6.673 17.459 -0.165 1.00 0.00 C ATOM 1307 O SER A 80 -5.490 17.672 0.099 1.00 0.00 O ATOM 1308 CB SER A 80 -8.297 16.767 1.621 1.00 0.00 C ATOM 1309 OG SER A 80 -7.956 18.087 2.036 1.00 0.00 O ATOM 0 H SER A 80 -5.569 15.668 1.261 1.00 0.00 H new ATOM 0 HA SER A 80 -8.054 15.817 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.341 16.743 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.201 16.085 2.466 1.00 0.00 H new ATOM 0 HG SER A 80 -8.545 18.362 2.770 1.00 0.00 H new ATOM 1315 N PRO A 81 -7.420 18.215 -1.013 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.814 17.894 -1.271 1.00 0.00 C ATOM 1317 C PRO A 81 -8.936 16.678 -2.191 1.00 0.00 C ATOM 1318 O PRO A 81 -8.146 16.516 -3.120 1.00 0.00 O ATOM 1319 CB PRO A 81 -9.403 19.158 -1.876 1.00 0.00 C ATOM 1320 CG PRO A 81 -8.219 19.978 -2.363 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.960 19.390 -1.748 1.00 0.00 C ATOM 0 HA PRO A 81 -9.354 17.611 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.078 18.920 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.984 19.711 -1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.160 19.954 -3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.333 21.023 -2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.234 19.118 -2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.472 20.105 -1.086 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.931 15.854 -1.900 1.00 0.00 N ATOM 1330 CA VAL A 82 -10.167 14.657 -2.689 1.00 0.00 C ATOM 1331 C VAL A 82 -11.661 14.540 -2.997 1.00 0.00 C ATOM 1332 O VAL A 82 -12.471 14.343 -2.092 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.608 13.432 -1.962 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.200 12.140 -2.530 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -8.080 13.408 -2.023 1.00 0.00 C ATOM 0 H VAL A 82 -10.584 15.992 -1.128 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.643 14.719 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.900 13.502 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.786 11.285 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.283 12.153 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.953 12.061 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.709 12.527 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.758 13.373 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.683 14.306 -1.550 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.981 14.666 -4.276 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.364 14.577 -4.714 1.00 0.00 C ATOM 1347 C HIS A 83 -13.603 13.223 -5.386 1.00 0.00 C ATOM 1348 O HIS A 83 -12.654 12.509 -5.707 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.725 15.759 -5.616 1.00 0.00 C ATOM 1350 CG HIS A 83 -13.643 17.102 -4.931 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -14.255 18.238 -5.432 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -13.017 17.478 -3.779 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -14.000 19.246 -4.611 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -13.232 18.774 -3.588 1.00 0.00 N ATOM 0 H HIS A 83 -11.307 14.829 -5.024 1.00 0.00 H new ATOM 0 HA HIS A 83 -14.028 14.637 -3.851 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.059 15.761 -6.479 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.737 15.617 -5.995 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.444 16.831 -3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.341 20.264 -4.731 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.881 19.326 -2.805 1.00 0.00 H new ATOM 1362 N ARG A 84 -14.876 12.912 -5.580 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.252 11.656 -6.208 1.00 0.00 C ATOM 1364 C ARG A 84 -14.844 11.657 -7.682 1.00 0.00 C ATOM 1365 O ARG A 84 -14.203 10.719 -8.154 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.760 11.418 -6.103 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.088 9.928 -6.217 1.00 0.00 C ATOM 1368 CD ARG A 84 -17.085 9.259 -4.841 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.448 7.831 -4.971 1.00 0.00 N ATOM 1370 CZ ARG A 84 -18.684 7.392 -5.249 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -19.682 8.269 -5.427 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -18.922 6.078 -5.348 1.00 0.00 N ATOM 0 H ARG A 84 -15.660 13.507 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.732 10.854 -5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.127 11.803 -5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.275 11.969 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.064 9.802 -6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.359 9.440 -6.864 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.099 9.352 -4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.791 9.763 -4.181 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.712 7.137 -4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -19.501 9.270 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -20.622 7.935 -5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.163 5.411 -5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -19.862 5.745 -5.559 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.231 12.722 -8.370 1.00 0.00 N ATOM 1387 CA ARG A 85 -14.913 12.857 -9.781 1.00 0.00 C ATOM 1388 C ARG A 85 -13.398 12.932 -9.979 1.00 0.00 C ATOM 1389 O ARG A 85 -12.909 12.822 -11.103 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.560 14.111 -10.374 1.00 0.00 C ATOM 1391 CG ARG A 85 -15.335 15.324 -9.469 1.00 0.00 C ATOM 1392 CD ARG A 85 -16.667 15.915 -9.002 1.00 0.00 C ATOM 1393 NE ARG A 85 -16.503 16.546 -7.674 1.00 0.00 N ATOM 1394 CZ ARG A 85 -17.515 16.801 -6.833 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -18.770 16.481 -7.179 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -17.273 17.376 -5.647 1.00 0.00 N ATOM 0 H ARG A 85 -15.762 13.499 -7.976 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.307 11.980 -10.295 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.143 14.307 -11.362 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.629 13.945 -10.507 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.740 15.031 -8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.765 16.082 -10.006 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.020 16.652 -9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.424 15.132 -8.951 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.561 16.803 -7.380 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.954 16.044 -8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.541 16.675 -6.539 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -16.318 17.620 -5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.044 17.570 -5.007 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.697 13.118 -8.871 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.247 13.208 -8.909 1.00 0.00 C ATOM 1412 C GLU A 86 -10.627 11.810 -8.875 1.00 0.00 C ATOM 1413 O GLU A 86 -9.490 11.621 -9.303 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.721 14.069 -7.758 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.742 15.553 -8.131 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.331 16.063 -8.432 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -8.668 16.501 -7.467 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -8.947 16.002 -9.620 1.00 0.00 O ATOM 0 H GLU A 86 -13.106 13.209 -7.941 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.957 13.690 -9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.329 13.905 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.704 13.767 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.380 15.704 -9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.175 16.131 -7.314 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.402 10.866 -8.361 1.00 0.00 N ATOM 1426 CA PHE A 87 -10.943 9.491 -8.266 1.00 0.00 C ATOM 1427 C PHE A 87 -10.443 8.984 -9.620 1.00 0.00 C ATOM 1428 O PHE A 87 -9.304 8.534 -9.736 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.144 8.648 -7.832 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.510 8.801 -6.354 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -11.829 9.680 -5.572 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.517 8.057 -5.822 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.168 9.822 -4.201 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.857 8.199 -4.451 1.00 0.00 C ATOM 1435 CZ PHE A 87 -13.175 9.079 -3.669 1.00 0.00 C ATOM 0 H PHE A 87 -12.345 11.027 -8.006 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.119 9.423 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.006 8.923 -8.440 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.931 7.599 -8.036 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.029 10.271 -5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.058 7.358 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.626 10.520 -3.580 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.657 7.609 -4.029 1.00 0.00 H new ATOM 0 HZ PHE A 87 -13.433 9.187 -2.626 1.00 0.00 H new ATOM 1445 N ARG A 88 -11.318 9.075 -10.610 1.00 0.00 N ATOM 1446 CA ARG A 88 -10.980 8.632 -11.952 1.00 0.00 C ATOM 1447 C ARG A 88 -9.760 9.396 -12.471 1.00 0.00 C ATOM 1448 O ARG A 88 -9.136 8.986 -13.449 1.00 0.00 O ATOM 1449 CB ARG A 88 -12.151 8.841 -12.913 1.00 0.00 C ATOM 1450 CG ARG A 88 -12.592 10.306 -12.930 1.00 0.00 C ATOM 1451 CD ARG A 88 -13.884 10.481 -13.730 1.00 0.00 C ATOM 1452 NE ARG A 88 -13.583 11.066 -15.056 1.00 0.00 N ATOM 1453 CZ ARG A 88 -13.239 10.349 -16.134 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -13.150 9.014 -16.050 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -12.984 10.965 -17.296 1.00 0.00 N ATOM 0 H ARG A 88 -12.262 9.449 -10.510 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.752 7.567 -11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.861 8.533 -13.918 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.988 8.209 -12.615 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.742 10.656 -11.909 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.805 10.921 -13.365 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.379 9.518 -13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.573 11.127 -13.186 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.641 12.079 -15.155 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.344 8.545 -15.166 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.888 8.468 -16.871 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.052 11.981 -17.360 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.722 10.418 -18.116 1.00 0.00 H new ATOM 1469 N GLU A 89 -9.456 10.493 -11.793 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.322 11.318 -12.174 1.00 0.00 C ATOM 1471 C GLU A 89 -7.140 11.059 -11.238 1.00 0.00 C ATOM 1472 O GLU A 89 -6.008 11.431 -11.545 1.00 0.00 O ATOM 1473 CB GLU A 89 -8.701 12.800 -12.182 1.00 0.00 C ATOM 1474 CG GLU A 89 -9.846 13.068 -13.161 1.00 0.00 C ATOM 1475 CD GLU A 89 -10.123 14.568 -13.284 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -9.367 15.225 -14.032 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -11.084 15.024 -12.627 1.00 0.00 O ATOM 0 H GLU A 89 -9.975 10.830 -10.982 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.024 11.048 -13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.995 13.109 -11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.834 13.399 -12.458 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.595 12.659 -14.140 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.746 12.555 -12.823 1.00 0.00 H new ATOM 1484 N ARG A 90 -7.443 10.425 -10.115 1.00 0.00 N ATOM 1485 CA ARG A 90 -6.419 10.112 -9.133 1.00 0.00 C ATOM 1486 C ARG A 90 -6.633 8.705 -8.572 1.00 0.00 C ATOM 1487 O ARG A 90 -7.672 8.422 -7.976 1.00 0.00 O ATOM 1488 CB ARG A 90 -6.434 11.121 -7.982 1.00 0.00 C ATOM 1489 CG ARG A 90 -5.363 12.195 -8.180 1.00 0.00 C ATOM 1490 CD ARG A 90 -5.977 13.489 -8.718 1.00 0.00 C ATOM 1491 NE ARG A 90 -5.312 13.879 -9.981 1.00 0.00 N ATOM 1492 CZ ARG A 90 -5.462 15.072 -10.571 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -6.254 16.000 -10.017 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -4.819 15.338 -11.717 1.00 0.00 N ATOM 0 H ARG A 90 -8.383 10.120 -9.863 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.452 10.163 -9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.416 11.589 -7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.265 10.603 -7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.862 12.393 -7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.604 11.833 -8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.045 13.351 -8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.871 14.285 -7.981 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.701 13.197 -10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.743 15.798 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.368 16.908 -10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.216 14.632 -12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.933 16.246 -12.167 1.00 0.00 H new ATOM 1508 N MET A 91 -5.635 7.860 -8.782 1.00 0.00 N ATOM 1509 CA MET A 91 -5.701 6.489 -8.305 1.00 0.00 C ATOM 1510 C MET A 91 -4.600 6.212 -7.280 1.00 0.00 C ATOM 1511 O MET A 91 -3.588 6.911 -7.246 1.00 0.00 O ATOM 1512 CB MET A 91 -5.553 5.529 -9.487 1.00 0.00 C ATOM 1513 CG MET A 91 -4.928 4.205 -9.043 1.00 0.00 C ATOM 1514 SD MET A 91 -4.806 3.091 -10.432 1.00 0.00 S ATOM 1515 CE MET A 91 -5.295 1.564 -9.648 1.00 0.00 C ATOM 0 H MET A 91 -4.775 8.098 -9.276 1.00 0.00 H new ATOM 0 HA MET A 91 -6.667 6.338 -7.822 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.530 5.343 -9.933 1.00 0.00 H new ATOM 0 HB3 MET A 91 -4.933 5.988 -10.257 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.939 4.384 -8.622 1.00 0.00 H new ATOM 0 HG3 MET A 91 -5.533 3.754 -8.256 1.00 0.00 H new ATOM 0 HE1 MET A 91 -5.206 0.744 -10.361 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.649 1.372 -8.791 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.329 1.642 -9.313 1.00 0.00 H new ATOM 1525 N LEU A 92 -4.834 5.190 -6.470 1.00 0.00 N ATOM 1526 CA LEU A 92 -3.874 4.811 -5.446 1.00 0.00 C ATOM 1527 C LEU A 92 -3.000 3.670 -5.971 1.00 0.00 C ATOM 1528 O LEU A 92 -3.454 2.851 -6.767 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.591 4.484 -4.135 1.00 0.00 C ATOM 1530 CG LEU A 92 -5.075 5.683 -3.318 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -6.086 5.250 -2.254 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -3.895 6.445 -2.711 1.00 0.00 C ATOM 0 H LEU A 92 -5.674 4.612 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.209 5.644 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.451 3.853 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.918 3.894 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.590 6.369 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.414 6.122 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.946 4.786 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.619 4.533 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.267 7.293 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.331 5.781 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.245 6.805 -3.509 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.760 3.655 -5.503 1.00 0.00 N ATOM 1545 CA GLU A 93 -0.818 2.628 -5.914 1.00 0.00 C ATOM 1546 C GLU A 93 -0.049 2.097 -4.703 1.00 0.00 C ATOM 1547 O GLU A 93 0.991 2.641 -4.336 1.00 0.00 O ATOM 1548 CB GLU A 93 0.140 3.160 -6.982 1.00 0.00 C ATOM 1549 CG GLU A 93 1.272 2.165 -7.247 1.00 0.00 C ATOM 1550 CD GLU A 93 1.909 2.411 -8.616 1.00 0.00 C ATOM 1551 OE1 GLU A 93 1.218 2.135 -9.621 1.00 0.00 O ATOM 1552 OE2 GLU A 93 3.072 2.870 -8.627 1.00 0.00 O ATOM 0 H GLU A 93 -1.386 4.337 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.378 1.803 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.407 3.348 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.557 4.114 -6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.029 2.254 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.885 1.147 -7.200 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.591 1.040 -4.115 1.00 0.00 N ATOM 1560 CA ILE A 94 0.032 0.429 -2.953 1.00 0.00 C ATOM 1561 C ILE A 94 0.931 -0.722 -3.407 1.00 0.00 C ATOM 1562 O ILE A 94 0.512 -1.569 -4.195 1.00 0.00 O ATOM 1563 CB ILE A 94 -1.030 0.014 -1.933 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -2.041 1.140 -1.704 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.384 -0.450 -0.626 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.151 1.102 -2.756 1.00 0.00 C ATOM 0 H ILE A 94 -1.454 0.592 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 94 0.670 1.149 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.580 -0.835 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.475 1.047 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.532 2.103 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.161 -0.739 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.263 -1.305 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.207 0.363 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.856 1.912 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.716 1.220 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.673 0.147 -2.700 1.00 0.00 H new ATOM 1578 N THR A 95 2.152 -0.716 -2.891 1.00 0.00 N ATOM 1579 CA THR A 95 3.114 -1.749 -3.234 1.00 0.00 C ATOM 1580 C THR A 95 3.834 -2.246 -1.978 1.00 0.00 C ATOM 1581 O THR A 95 4.098 -1.469 -1.062 1.00 0.00 O ATOM 1582 CB THR A 95 4.061 -1.181 -4.293 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.146 0.206 -3.974 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.452 -1.204 -5.696 1.00 0.00 C ATOM 0 H THR A 95 2.496 -0.012 -2.238 1.00 0.00 H new ATOM 0 HA THR A 95 2.620 -2.625 -3.655 1.00 0.00 H new ATOM 0 HB THR A 95 4.990 -1.750 -4.292 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.742 0.652 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.165 -0.790 -6.409 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.216 -2.231 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.540 -0.607 -5.707 1.00 0.00 H new ATOM 1592 N LEU A 96 4.130 -3.537 -1.977 1.00 0.00 N ATOM 1593 CA LEU A 96 4.814 -4.146 -0.849 1.00 0.00 C ATOM 1594 C LEU A 96 6.270 -4.425 -1.230 1.00 0.00 C ATOM 1595 O LEU A 96 6.556 -4.803 -2.365 1.00 0.00 O ATOM 1596 CB LEU A 96 4.057 -5.385 -0.368 1.00 0.00 C ATOM 1597 CG LEU A 96 4.353 -5.840 1.062 1.00 0.00 C ATOM 1598 CD1 LEU A 96 5.840 -6.150 1.242 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.854 -4.811 2.079 1.00 0.00 C ATOM 0 H LEU A 96 3.909 -4.178 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 96 4.831 -3.462 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.988 -5.188 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.283 -6.209 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 96 3.807 -6.765 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.023 -6.471 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.132 -6.945 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.426 -5.255 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.077 -5.159 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.352 -3.857 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.777 -4.683 1.969 1.00 0.00 H new ATOM 1611 N TRP A 97 7.150 -4.226 -0.260 1.00 0.00 N ATOM 1612 CA TRP A 97 8.569 -4.451 -0.480 1.00 0.00 C ATOM 1613 C TRP A 97 9.190 -4.887 0.848 1.00 0.00 C ATOM 1614 O TRP A 97 8.790 -4.412 1.910 1.00 0.00 O ATOM 1615 CB TRP A 97 9.236 -3.208 -1.073 1.00 0.00 C ATOM 1616 CG TRP A 97 8.320 -2.383 -1.979 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.329 -1.557 -1.618 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.353 -2.337 -3.421 1.00 0.00 C ATOM 1619 NE1 TRP A 97 6.722 -0.985 -2.718 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.364 -1.474 -3.849 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.189 -3.003 -4.334 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.120 -1.198 -5.200 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 8.932 -2.716 -5.680 1.00 0.00 C ATOM 1624 CH2 TRP A 97 7.941 -1.850 -6.127 1.00 0.00 C ATOM 0 H TRP A 97 6.908 -3.912 0.680 1.00 0.00 H new ATOM 0 HA TRP A 97 8.725 -5.242 -1.213 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.591 -2.575 -0.259 1.00 0.00 H new ATOM 0 HB3 TRP A 97 10.113 -3.516 -1.643 1.00 0.00 H new ATOM 0 HD1 TRP A 97 7.041 -1.363 -0.595 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.945 -0.325 -2.703 1.00 0.00 H new ATOM 0 HE3 TRP A 97 9.968 -3.683 -4.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.340 -0.518 -5.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 9.547 -3.202 -6.423 1.00 0.00 H new ATOM 0 HH2 TRP A 97 7.805 -1.681 -7.185 1.00 0.00 H new ATOM 1635 N ASP A 98 10.158 -5.786 0.746 1.00 0.00 N ATOM 1636 CA ASP A 98 10.838 -6.292 1.926 1.00 0.00 C ATOM 1637 C ASP A 98 12.236 -5.677 2.006 1.00 0.00 C ATOM 1638 O ASP A 98 13.111 -6.010 1.208 1.00 0.00 O ATOM 1639 CB ASP A 98 10.993 -7.812 1.864 1.00 0.00 C ATOM 1640 CG ASP A 98 12.226 -8.367 2.581 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.684 -7.690 3.527 1.00 0.00 O ATOM 1642 OD2 ASP A 98 12.681 -9.455 2.168 1.00 0.00 O ATOM 0 H ASP A 98 10.488 -6.177 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 98 10.241 -6.026 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.103 -8.271 2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.032 -8.116 0.818 1.00 0.00 H new ATOM 1647 N GLN A 99 12.403 -4.789 2.976 1.00 0.00 N ATOM 1648 CA GLN A 99 13.681 -4.125 3.170 1.00 0.00 C ATOM 1649 C GLN A 99 14.826 -5.134 3.066 1.00 0.00 C ATOM 1650 O GLN A 99 14.880 -6.097 3.830 1.00 0.00 O ATOM 1651 CB GLN A 99 13.718 -3.389 4.511 1.00 0.00 C ATOM 1652 CG GLN A 99 14.393 -2.024 4.369 1.00 0.00 C ATOM 1653 CD GLN A 99 15.276 -1.720 5.581 1.00 0.00 C ATOM 1654 OE1 GLN A 99 16.070 -2.535 6.023 1.00 0.00 O ATOM 1655 NE2 GLN A 99 15.095 -0.506 6.092 1.00 0.00 N ATOM 0 H GLN A 99 11.675 -4.514 3.635 1.00 0.00 H new ATOM 0 HA GLN A 99 13.806 -3.383 2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.703 -3.259 4.887 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.255 -3.990 5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.996 -2.005 3.461 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.634 -1.248 4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.414 0.127 5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.637 -0.208 6.903 1.00 0.00 H new ATOM 1809 N PHE A 109 10.236 -6.533 -3.613 1.00 0.00 N ATOM 1810 CA PHE A 109 8.846 -6.361 -4.000 1.00 0.00 C ATOM 1811 C PHE A 109 8.064 -7.664 -3.826 1.00 0.00 C ATOM 1812 O PHE A 109 8.324 -8.646 -4.520 1.00 0.00 O ATOM 1813 CB PHE A 109 8.839 -5.969 -5.479 1.00 0.00 C ATOM 1814 CG PHE A 109 7.440 -5.879 -6.092 1.00 0.00 C ATOM 1815 CD1 PHE A 109 6.585 -4.900 -5.693 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.052 -6.779 -7.035 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.287 -4.816 -6.262 1.00 0.00 C ATOM 1818 CE2 PHE A 109 5.753 -6.696 -7.603 1.00 0.00 C ATOM 1819 CZ PHE A 109 4.898 -5.716 -7.205 1.00 0.00 C ATOM 0 HA PHE A 109 8.377 -5.601 -3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.336 -5.006 -5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.424 -6.697 -6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.893 -4.186 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.731 -7.556 -7.352 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.608 -4.037 -5.946 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.444 -7.411 -8.351 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.910 -5.652 -7.638 1.00 0.00 H new ATOM 1829 N LEU A 110 7.121 -7.632 -2.895 1.00 0.00 N ATOM 1830 CA LEU A 110 6.299 -8.798 -2.621 1.00 0.00 C ATOM 1831 C LEU A 110 5.083 -8.789 -3.550 1.00 0.00 C ATOM 1832 O LEU A 110 4.419 -9.810 -3.719 1.00 0.00 O ATOM 1833 CB LEU A 110 5.938 -8.862 -1.136 1.00 0.00 C ATOM 1834 CG LEU A 110 7.081 -9.218 -0.183 1.00 0.00 C ATOM 1835 CD1 LEU A 110 6.590 -9.276 1.265 1.00 0.00 C ATOM 1836 CD2 LEU A 110 7.765 -10.519 -0.609 1.00 0.00 C ATOM 0 H LEU A 110 6.908 -6.816 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 110 6.854 -9.713 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.532 -7.895 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.142 -9.595 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 110 7.830 -8.428 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.422 -9.531 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.186 -8.305 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.811 -10.034 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.573 -10.749 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.038 -11.331 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.171 -10.404 -1.614 1.00 0.00 H new ATOM 1848 N GLY A 111 4.827 -7.624 -4.127 1.00 0.00 N ATOM 1849 CA GLY A 111 3.703 -7.468 -5.033 1.00 0.00 C ATOM 1850 C GLY A 111 3.167 -6.035 -5.002 1.00 0.00 C ATOM 1851 O GLY A 111 3.548 -5.245 -4.139 1.00 0.00 O ATOM 0 H GLY A 111 5.380 -6.779 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.011 -7.723 -6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 111 2.910 -8.163 -4.757 1.00 0.00 H new ATOM 1855 N GLU A 112 2.293 -5.743 -5.953 1.00 0.00 N ATOM 1856 CA GLU A 112 1.701 -4.419 -6.045 1.00 0.00 C ATOM 1857 C GLU A 112 0.174 -4.518 -6.024 1.00 0.00 C ATOM 1858 O GLU A 112 -0.406 -5.373 -6.691 1.00 0.00 O ATOM 1859 CB GLU A 112 2.186 -3.688 -7.298 1.00 0.00 C ATOM 1860 CG GLU A 112 1.511 -4.244 -8.553 1.00 0.00 C ATOM 1861 CD GLU A 112 2.489 -4.286 -9.729 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.287 -3.330 -9.838 1.00 0.00 O ATOM 1863 OE2 GLU A 112 2.417 -5.273 -10.493 1.00 0.00 O ATOM 0 H GLU A 112 1.980 -6.401 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 112 2.020 -3.838 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 112 1.973 -2.623 -7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.268 -3.790 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.134 -5.247 -8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.651 -3.626 -8.812 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.433 -3.630 -5.250 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.882 -3.606 -5.133 1.00 0.00 C ATOM 1872 C ILE A 113 -2.408 -2.263 -5.643 1.00 0.00 C ATOM 1873 O ILE A 113 -2.286 -1.246 -4.962 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.309 -3.930 -3.700 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.710 -5.260 -3.237 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.833 -3.910 -3.565 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.066 -5.542 -1.776 1.00 0.00 C ATOM 0 H ILE A 113 0.051 -2.922 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.328 -4.381 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.917 -3.154 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.079 -6.069 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.626 -5.235 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.110 -4.143 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.208 -2.921 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.267 -4.652 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.628 -6.493 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.674 -4.744 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.150 -5.590 -1.668 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.982 -2.303 -6.836 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.528 -1.102 -7.445 1.00 0.00 C ATOM 1891 C LEU A 114 -5.016 -0.995 -7.108 1.00 0.00 C ATOM 1892 O LEU A 114 -5.750 -1.978 -7.203 1.00 0.00 O ATOM 1893 CB LEU A 114 -3.234 -1.081 -8.946 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.963 -0.343 -9.371 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -2.277 1.095 -9.789 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -0.902 -0.401 -8.271 1.00 0.00 C ATOM 0 H LEU A 114 -3.081 -3.149 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.044 -0.215 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.167 -2.111 -9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.083 -0.625 -9.456 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.550 -0.849 -10.244 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.356 1.597 -10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.973 1.086 -10.628 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.726 1.628 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.009 0.131 -8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.291 0.065 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.649 -1.441 -8.064 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.418 0.206 -6.720 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.806 0.454 -6.369 1.00 0.00 C ATOM 1910 C ILE A 115 -7.252 1.785 -6.977 1.00 0.00 C ATOM 1911 O ILE A 115 -6.695 2.835 -6.659 1.00 0.00 O ATOM 1912 CB ILE A 115 -6.996 0.376 -4.853 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -6.850 -1.063 -4.355 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.333 0.994 -4.435 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -5.960 -1.126 -3.112 1.00 0.00 C ATOM 0 H ILE A 115 -4.807 1.019 -6.641 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.449 -0.319 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.208 0.962 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.833 -1.473 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.424 -1.683 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.443 0.926 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.360 2.041 -4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.149 0.456 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.873 -2.160 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -4.970 -0.738 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.402 -0.525 -2.317 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.253 1.699 -7.841 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.780 2.883 -8.496 1.00 0.00 C ATOM 1929 C GLU A 116 -9.872 3.524 -7.637 1.00 0.00 C ATOM 1930 O GLU A 116 -10.923 2.925 -7.414 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.308 2.548 -9.893 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.206 1.940 -10.764 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.672 1.793 -12.214 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -8.996 2.840 -12.815 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -8.693 0.637 -12.688 1.00 0.00 O ATOM 0 H GLU A 116 -8.713 0.827 -8.102 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.968 3.601 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.141 1.849 -9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.694 3.451 -10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.318 2.571 -10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.922 0.965 -10.369 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.586 4.734 -7.178 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.531 5.462 -6.349 1.00 0.00 C ATOM 1944 C LEU A 117 -11.911 5.435 -7.010 1.00 0.00 C ATOM 1945 O LEU A 117 -12.932 5.473 -6.325 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.015 6.873 -6.061 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.609 6.964 -5.464 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.332 8.369 -4.926 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.396 5.889 -4.397 1.00 0.00 C ATOM 0 H LEU A 117 -8.713 5.228 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.634 4.980 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.031 7.441 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.711 7.360 -5.378 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.887 6.776 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.326 8.407 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.414 9.092 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.058 8.611 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.389 5.976 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.124 6.021 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.523 4.903 -4.844 1.00 0.00 H new ATOM 1961 N GLU A 118 -11.896 5.368 -8.333 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.133 5.335 -9.094 1.00 0.00 C ATOM 1963 C GLU A 118 -14.059 4.242 -8.556 1.00 0.00 C ATOM 1964 O GLU A 118 -15.213 4.508 -8.225 1.00 0.00 O ATOM 1965 CB GLU A 118 -12.855 5.133 -10.585 1.00 0.00 C ATOM 1966 CG GLU A 118 -13.917 5.827 -11.440 1.00 0.00 C ATOM 1967 CD GLU A 118 -13.801 5.406 -12.906 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -13.225 4.322 -13.142 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -14.291 6.178 -13.759 1.00 0.00 O ATOM 0 H GLU A 118 -11.047 5.336 -8.897 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.633 6.297 -8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.869 5.528 -10.832 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.838 4.068 -10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.910 5.580 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -13.805 6.908 -11.358 1.00 0.00 H new ATOM 1976 N THR A 119 -13.517 3.035 -8.485 1.00 0.00 N ATOM 1977 CA THR A 119 -14.280 1.900 -7.993 1.00 0.00 C ATOM 1978 C THR A 119 -13.632 1.330 -6.730 1.00 0.00 C ATOM 1979 O THR A 119 -13.718 0.130 -6.471 1.00 0.00 O ATOM 1980 CB THR A 119 -14.398 0.882 -9.129 1.00 0.00 C ATOM 1981 OG1 THR A 119 -13.131 0.230 -9.144 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.492 1.546 -10.504 1.00 0.00 C ATOM 0 H THR A 119 -12.559 2.818 -8.760 1.00 0.00 H new ATOM 0 HA THR A 119 -15.286 2.197 -7.698 1.00 0.00 H new ATOM 0 HB THR A 119 -15.277 0.258 -8.967 1.00 0.00 H new ATOM 0 HG1 THR A 119 -13.121 -0.448 -9.851 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.574 0.779 -11.274 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.371 2.189 -10.538 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.598 2.144 -10.681 1.00 0.00 H new ATOM 1990 N ALA A 120 -12.998 2.216 -5.977 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.335 1.816 -4.747 1.00 0.00 C ATOM 1992 C ALA A 120 -13.390 1.486 -3.689 1.00 0.00 C ATOM 1993 O ALA A 120 -14.411 2.165 -3.591 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.384 2.926 -4.295 1.00 0.00 C ATOM 0 H ALA A 120 -12.929 3.210 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.736 0.919 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -10.887 2.626 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.637 3.103 -5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.950 3.841 -4.121 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.107 0.442 -2.923 1.00 0.00 N ATOM 2001 CA LEU A 121 -14.019 0.013 -1.876 1.00 0.00 C ATOM 2002 C LEU A 121 -13.845 0.915 -0.653 1.00 0.00 C ATOM 2003 O LEU A 121 -13.038 0.623 0.228 1.00 0.00 O ATOM 2004 CB LEU A 121 -13.827 -1.475 -1.575 1.00 0.00 C ATOM 2005 CG LEU A 121 -13.952 -2.423 -2.770 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -13.325 -3.783 -2.458 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -15.410 -2.552 -3.217 1.00 0.00 C ATOM 0 H LEU A 121 -12.259 -0.119 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.053 0.117 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -12.841 -1.611 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -14.559 -1.771 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.396 -1.996 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.427 -4.438 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.268 -3.652 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -13.832 -4.230 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -15.471 -3.231 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.009 -2.945 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.790 -1.572 -3.507 1.00 0.00 H new ATOM 2019 N LEU A 122 -14.614 1.994 -0.639 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.555 2.941 0.461 1.00 0.00 C ATOM 2021 C LEU A 122 -15.750 2.713 1.389 1.00 0.00 C ATOM 2022 O LEU A 122 -16.891 2.978 1.015 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.453 4.373 -0.069 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.448 4.598 -1.201 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -13.854 5.795 -2.063 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -12.027 4.743 -0.652 1.00 0.00 C ATOM 0 H LEU A 122 -15.281 2.233 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.655 2.780 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.439 4.682 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -14.189 5.029 0.761 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.456 3.719 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -13.124 5.934 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -14.836 5.613 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.892 6.692 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.333 4.902 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -11.984 5.594 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -11.750 3.836 -0.114 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.447 2.224 2.583 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.481 1.957 3.567 1.00 0.00 C ATOM 2040 C ASP A 123 -15.832 1.471 4.865 1.00 0.00 C ATOM 2041 O ASP A 123 -16.376 0.606 5.549 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.438 0.867 3.080 1.00 0.00 C ATOM 2043 CG ASP A 123 -18.918 1.135 3.354 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.189 2.047 4.166 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -19.747 0.423 2.747 1.00 0.00 O ATOM 0 H ASP A 123 -14.499 2.006 2.891 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.038 2.880 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.301 0.738 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.162 -0.075 3.553 1.00 0.00 H new ATOM 2050 N ASP A 124 -14.677 2.049 5.164 1.00 0.00 N ATOM 2051 CA ASP A 124 -13.948 1.685 6.366 1.00 0.00 C ATOM 2052 C ASP A 124 -14.048 0.173 6.581 1.00 0.00 C ATOM 2053 O ASP A 124 -14.080 -0.295 7.718 1.00 0.00 O ATOM 2054 CB ASP A 124 -14.536 2.377 7.598 1.00 0.00 C ATOM 2055 CG ASP A 124 -13.526 2.708 8.698 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -12.370 3.015 8.334 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -13.932 2.646 9.879 1.00 0.00 O ATOM 0 H ASP A 124 -14.229 2.767 4.594 1.00 0.00 H new ATOM 0 HA ASP A 124 -12.911 1.996 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -15.020 3.300 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -15.312 1.738 8.019 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.094 -0.548 5.470 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.190 -1.997 5.523 1.00 0.00 C ATOM 2064 C GLU A 125 -12.870 -2.632 5.080 1.00 0.00 C ATOM 2065 O GLU A 125 -12.351 -2.312 4.012 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.354 -2.501 4.668 1.00 0.00 C ATOM 2067 CG GLU A 125 -16.641 -2.589 5.492 1.00 0.00 C ATOM 2068 CD GLU A 125 -17.873 -2.382 4.608 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -17.814 -2.823 3.440 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -18.845 -1.788 5.121 1.00 0.00 O ATOM 0 H GLU A 125 -14.067 -0.156 4.529 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.385 -2.291 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.505 -1.831 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.112 -3.482 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.699 -3.562 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.624 -1.837 6.281 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.352 -3.544 5.946 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.103 -4.227 5.656 1.00 0.00 C ATOM 2079 C PRO A 126 -11.302 -5.303 4.587 1.00 0.00 C ATOM 2080 O PRO A 126 -12.137 -6.193 4.746 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.644 -4.792 6.990 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.874 -4.805 7.882 1.00 0.00 C ATOM 2083 CD PRO A 126 -12.940 -3.947 7.220 1.00 0.00 C ATOM 0 HA PRO A 126 -10.347 -3.562 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.238 -5.796 6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.854 -4.178 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.235 -5.824 8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.632 -4.417 8.871 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.863 -4.507 7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.189 -3.081 7.833 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.523 -5.187 3.522 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.603 -6.139 2.428 1.00 0.00 C ATOM 2093 C HIS A 127 -9.216 -6.723 2.153 1.00 0.00 C ATOM 2094 O HIS A 127 -8.207 -6.040 2.318 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.231 -5.494 1.191 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.640 -5.957 0.905 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -12.971 -6.704 -0.213 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -13.798 -5.773 1.602 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -14.272 -6.951 -0.180 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -14.783 -6.373 0.945 1.00 0.00 N ATOM 0 H HIS A 127 -9.833 -4.447 3.393 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.258 -6.965 2.707 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.234 -4.412 1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -10.606 -5.709 0.325 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -13.897 -5.231 2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -14.830 -7.512 -0.915 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -15.761 -6.398 1.234 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.211 -7.981 1.737 1.00 0.00 N ATOM 2109 CA TRP A 128 -7.964 -8.665 1.437 1.00 0.00 C ATOM 2110 C TRP A 128 -7.740 -8.597 -0.075 1.00 0.00 C ATOM 2111 O TRP A 128 -8.427 -9.272 -0.840 1.00 0.00 O ATOM 2112 CB TRP A 128 -7.981 -10.097 1.975 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.841 -10.192 3.495 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.796 -10.458 4.396 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.631 -10.010 4.261 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.293 -10.461 5.681 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -6.934 -10.180 5.596 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.324 -9.711 3.838 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -5.984 -10.071 6.618 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.385 -9.606 4.872 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.674 -9.774 6.221 1.00 0.00 C ATOM 0 H TRP A 128 -10.050 -8.544 1.601 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.127 -8.177 1.936 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.913 -10.576 1.676 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.171 -10.659 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.830 -10.646 4.148 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.821 -10.637 6.536 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.065 -9.573 2.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.247 -10.208 7.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.364 -9.378 4.602 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -3.892 -9.676 6.960 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.775 -7.775 -0.462 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.451 -7.610 -1.868 1.00 0.00 C ATOM 2134 C TYR A 129 -5.203 -8.413 -2.242 1.00 0.00 C ATOM 2135 O TYR A 129 -4.086 -8.020 -1.911 1.00 0.00 O ATOM 2136 CB TYR A 129 -6.161 -6.120 -2.063 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.321 -5.204 -1.666 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.529 -5.295 -2.327 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -7.158 -4.287 -0.648 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.620 -4.433 -1.954 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.250 -3.425 -0.275 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.427 -3.540 -0.946 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.457 -2.726 -0.594 1.00 0.00 O ATOM 0 H TYR A 129 -6.207 -7.216 0.175 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.271 -7.962 -2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.282 -5.851 -1.477 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.913 -5.942 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.656 -6.013 -3.124 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.212 -4.216 -0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.571 -4.494 -2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -8.136 -2.703 0.520 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.176 -2.141 0.140 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.436 -9.523 -2.926 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.345 -10.385 -3.348 1.00 0.00 C ATOM 2155 C LYS A 130 -3.283 -9.544 -4.061 1.00 0.00 C ATOM 2156 O LYS A 130 -3.598 -8.513 -4.653 1.00 0.00 O ATOM 2157 CB LYS A 130 -4.875 -11.548 -4.189 1.00 0.00 C ATOM 2158 CG LYS A 130 -4.929 -12.838 -3.367 1.00 0.00 C ATOM 2159 CD LYS A 130 -6.304 -13.019 -2.721 1.00 0.00 C ATOM 2160 CE LYS A 130 -7.194 -13.927 -3.572 1.00 0.00 C ATOM 2161 NZ LYS A 130 -7.897 -13.140 -4.610 1.00 0.00 N ATOM 0 H LYS A 130 -6.364 -9.846 -3.199 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.864 -10.841 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.871 -11.308 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.235 -11.693 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.709 -13.692 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -4.161 -12.814 -2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.188 -13.447 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.782 -12.047 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.589 -14.702 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.921 -14.433 -2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.631 -13.728 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.339 -12.306 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.216 -12.832 -5.333 1.00 0.00 H new ATOM 2175 N LEU A 131 -2.048 -10.017 -3.982 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.939 -9.322 -4.612 1.00 0.00 C ATOM 2177 C LEU A 131 -0.735 -9.872 -6.025 1.00 0.00 C ATOM 2178 O LEU A 131 -1.141 -10.994 -6.323 1.00 0.00 O ATOM 2179 CB LEU A 131 0.312 -9.402 -3.734 1.00 0.00 C ATOM 2180 CG LEU A 131 0.181 -8.820 -2.325 1.00 0.00 C ATOM 2181 CD1 LEU A 131 0.837 -7.441 -2.238 1.00 0.00 C ATOM 2182 CD2 LEU A 131 -1.282 -8.787 -1.879 1.00 0.00 C ATOM 0 H LEU A 131 -1.791 -10.873 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.162 -8.260 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.605 -10.448 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.124 -8.885 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 131 0.714 -9.474 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.730 -7.050 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.896 -7.525 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.354 -6.763 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.347 -8.369 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.858 -8.169 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.685 -9.800 -1.877 1.00 0.00 H new ATOM 2194 N GLN A 132 -0.105 -9.056 -6.858 1.00 0.00 N ATOM 2195 CA GLN A 132 0.158 -9.447 -8.232 1.00 0.00 C ATOM 2196 C GLN A 132 1.638 -9.253 -8.565 1.00 0.00 C ATOM 2197 O GLN A 132 2.127 -8.125 -8.605 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.730 -8.666 -9.204 1.00 0.00 C ATOM 2199 CG GLN A 132 -0.355 -7.183 -9.217 1.00 0.00 C ATOM 2200 CD GLN A 132 -1.524 -6.327 -9.710 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -2.361 -5.875 -8.947 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -1.532 -6.130 -11.026 1.00 0.00 N ATOM 0 H GLN A 132 0.231 -8.126 -6.607 1.00 0.00 H new ATOM 0 HA GLN A 132 -0.083 -10.504 -8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.629 -9.079 -10.207 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.776 -8.778 -8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -0.066 -6.868 -8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.511 -7.029 -9.861 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -0.800 -6.538 -11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -2.270 -5.571 -11.454 1.00 0.00 H new