USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 ASN : amide:sc= 0.387 K(o=0.39,f=-0.25) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 84:sc= -0.704 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.078 K(o=-0.078,f=-1.3) USER MOD Single : A 18 MET CE :methyl 159:sc= -0.893 (180deg=-2.45!) USER MOD Single : A 19 ASN : amide:sc= -9.43! C(o=-9.4!,f=-12!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.18 K(o=1.2,f=-0.061) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 72:sc= -1.47 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0041 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -14:sc= 0.0518 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.014) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.1!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0415 X(o=-0.041,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -130:sc= -0.0498 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 133:sc= -1.36 (180deg=-3.94!) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.954 F(o=-2.3!,f=-0.95) USER MOD Single : A 90 ASN : amide:sc= -2.33! C(o=-2.3!,f=-3.3!) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.271 F(o=-2.4!,f=-0.27) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 1.12 K(o=1.1,f=-0.012) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0661 K(o=-0.066,f=-1.2!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -63:sc= 0.702 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -136:sc= 0.219 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 10 1.009 10.922 5.092 1.00 0.00 N ATOM 92 CA ASN A 10 -0.209 10.776 4.303 1.00 0.00 C ATOM 93 C ASN A 10 -1.441 11.122 5.135 1.00 0.00 C ATOM 94 O ASN A 10 -1.463 10.957 6.355 1.00 0.00 O ATOM 95 CB ASN A 10 -0.327 9.348 3.766 1.00 0.00 C ATOM 96 CG ASN A 10 0.936 8.889 3.064 1.00 0.00 C ATOM 97 OD1 ASN A 10 1.612 9.675 2.401 1.00 0.00 O ATOM 98 ND2 ASN A 10 1.260 7.609 3.207 1.00 0.00 N ATOM 0 HA ASN A 10 -0.153 11.469 3.463 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.548 8.670 4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.166 9.292 3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.099 7.242 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.670 6.993 3.766 1.00 0.00 H new ATOM 105 N PRO A 11 -2.491 11.613 4.461 1.00 0.00 N ATOM 106 CA PRO A 11 -3.746 11.991 5.117 1.00 0.00 C ATOM 107 C PRO A 11 -4.518 10.781 5.633 1.00 0.00 C ATOM 108 O PRO A 11 -4.199 9.633 5.323 1.00 0.00 O ATOM 109 CB PRO A 11 -4.531 12.692 4.005 1.00 0.00 C ATOM 110 CG PRO A 11 -3.988 12.121 2.741 1.00 0.00 C ATOM 111 CD PRO A 11 -2.535 11.836 3.006 1.00 0.00 C ATOM 0 HA PRO A 11 -3.575 12.614 5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.601 12.504 4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.392 13.772 4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.520 11.211 2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.104 12.822 1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.190 10.961 2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.901 12.671 2.708 1.00 0.00 H new ATOM 119 N PRO A 12 -5.558 11.042 6.439 1.00 0.00 N ATOM 120 CA PRO A 12 -6.397 9.986 7.014 1.00 0.00 C ATOM 121 C PRO A 12 -7.259 9.294 5.964 1.00 0.00 C ATOM 122 O PRO A 12 -7.674 8.148 6.142 1.00 0.00 O ATOM 123 CB PRO A 12 -7.277 10.739 8.016 1.00 0.00 C ATOM 124 CG PRO A 12 -7.328 12.136 7.500 1.00 0.00 C ATOM 125 CD PRO A 12 -5.995 12.386 6.851 1.00 0.00 C ATOM 0 HA PRO A 12 -5.801 9.191 7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.274 10.302 8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.854 10.703 9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.140 12.258 6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.507 12.845 8.309 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.083 13.059 5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.290 12.843 7.545 1.00 0.00 H new ATOM 133 N LYS A 13 -7.525 9.995 4.867 1.00 0.00 N ATOM 134 CA LYS A 13 -8.336 9.448 3.786 1.00 0.00 C ATOM 135 C LYS A 13 -7.543 8.430 2.973 1.00 0.00 C ATOM 136 O LYS A 13 -8.092 7.431 2.505 1.00 0.00 O ATOM 137 CB LYS A 13 -8.830 10.572 2.873 1.00 0.00 C ATOM 138 CG LYS A 13 -7.715 11.285 2.127 1.00 0.00 C ATOM 139 CD LYS A 13 -8.094 12.718 1.793 1.00 0.00 C ATOM 140 CE LYS A 13 -8.174 13.579 3.044 1.00 0.00 C ATOM 141 NZ LYS A 13 -8.099 15.031 2.724 1.00 0.00 N ATOM 0 H LYS A 13 -7.190 10.944 4.703 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.195 8.944 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.533 10.159 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.379 11.300 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.809 11.279 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.487 10.744 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.360 13.139 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.055 12.731 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.106 13.371 3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.361 13.314 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.157 15.584 3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.198 15.235 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.889 15.290 2.100 1.00 0.00 H new ATOM 155 N LEU A 14 -6.250 8.687 2.810 1.00 0.00 N ATOM 156 CA LEU A 14 -5.381 7.792 2.055 1.00 0.00 C ATOM 157 C LEU A 14 -4.876 6.653 2.935 1.00 0.00 C ATOM 158 O LEU A 14 -5.082 5.478 2.629 1.00 0.00 O ATOM 159 CB LEU A 14 -4.197 8.567 1.475 1.00 0.00 C ATOM 160 CG LEU A 14 -3.292 7.792 0.516 1.00 0.00 C ATOM 161 CD1 LEU A 14 -2.443 8.749 -0.307 1.00 0.00 C ATOM 162 CD2 LEU A 14 -2.409 6.820 1.285 1.00 0.00 C ATOM 0 H LEU A 14 -5.780 9.508 3.191 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.963 7.365 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.583 9.442 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.588 8.933 2.302 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.922 7.219 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.805 8.180 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.092 9.405 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.822 9.349 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.772 6.277 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.787 7.372 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.035 6.113 1.830 1.00 0.00 H new ATOM 174 N THR A 15 -4.214 7.008 4.032 1.00 0.00 N ATOM 175 CA THR A 15 -3.680 6.017 4.958 1.00 0.00 C ATOM 176 C THR A 15 -4.753 5.014 5.368 1.00 0.00 C ATOM 177 O THR A 15 -4.564 3.804 5.247 1.00 0.00 O ATOM 178 CB THR A 15 -3.104 6.682 6.222 1.00 0.00 C ATOM 179 OG1 THR A 15 -2.045 7.578 5.866 1.00 0.00 O ATOM 180 CG2 THR A 15 -2.583 5.634 7.195 1.00 0.00 C ATOM 0 H THR A 15 -4.035 7.975 4.301 1.00 0.00 H new ATOM 0 HA THR A 15 -2.879 5.495 4.435 1.00 0.00 H new ATOM 0 HB THR A 15 -3.904 7.241 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.423 8.443 5.604 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.181 6.127 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.398 4.972 7.487 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.796 5.051 6.715 1.00 0.00 H new ATOM 188 N LYS A 16 -5.879 5.525 5.854 1.00 0.00 N ATOM 189 CA LYS A 16 -6.984 4.675 6.281 1.00 0.00 C ATOM 190 C LYS A 16 -7.260 3.584 5.251 1.00 0.00 C ATOM 191 O LYS A 16 -7.306 2.400 5.587 1.00 0.00 O ATOM 192 CB LYS A 16 -8.245 5.514 6.500 1.00 0.00 C ATOM 193 CG LYS A 16 -9.496 4.684 6.726 1.00 0.00 C ATOM 194 CD LYS A 16 -9.559 4.145 8.146 1.00 0.00 C ATOM 195 CE LYS A 16 -10.840 3.363 8.390 1.00 0.00 C ATOM 196 NZ LYS A 16 -12.010 4.263 8.588 1.00 0.00 N ATOM 0 H LYS A 16 -6.050 6.525 5.962 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.702 4.201 7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.092 6.167 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.398 6.158 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.378 5.293 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.516 3.854 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.698 3.502 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.496 4.972 8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.029 2.702 7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.717 2.729 9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.864 3.692 8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.841 4.876 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.144 4.850 7.740 1.00 0.00 H new ATOM 210 N GLN A 17 -7.440 3.990 3.999 1.00 0.00 N ATOM 211 CA GLN A 17 -7.710 3.045 2.921 1.00 0.00 C ATOM 212 C GLN A 17 -6.833 1.804 3.053 1.00 0.00 C ATOM 213 O GLN A 17 -7.323 0.677 2.989 1.00 0.00 O ATOM 214 CB GLN A 17 -7.476 3.708 1.563 1.00 0.00 C ATOM 215 CG GLN A 17 -7.768 2.795 0.382 1.00 0.00 C ATOM 216 CD GLN A 17 -9.230 2.406 0.294 1.00 0.00 C ATOM 217 OE1 GLN A 17 -10.093 3.050 0.891 1.00 0.00 O ATOM 218 NE2 GLN A 17 -9.517 1.346 -0.454 1.00 0.00 N ATOM 0 H GLN A 17 -7.404 4.966 3.705 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.754 2.739 2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.103 4.596 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.440 4.043 1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.473 3.295 -0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.160 1.894 0.465 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.770 0.841 -0.931 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.484 1.037 -0.551 1.00 0.00 H new ATOM 227 N MET A 18 -5.535 2.019 3.237 1.00 0.00 N ATOM 228 CA MET A 18 -4.590 0.917 3.378 1.00 0.00 C ATOM 229 C MET A 18 -5.045 -0.052 4.464 1.00 0.00 C ATOM 230 O MET A 18 -5.495 -1.159 4.171 1.00 0.00 O ATOM 231 CB MET A 18 -3.195 1.452 3.707 1.00 0.00 C ATOM 232 CG MET A 18 -2.542 2.196 2.554 1.00 0.00 C ATOM 233 SD MET A 18 -1.189 3.260 3.091 1.00 0.00 S ATOM 234 CE MET A 18 -0.668 3.962 1.528 1.00 0.00 C ATOM 0 H MET A 18 -5.113 2.946 3.292 1.00 0.00 H new ATOM 0 HA MET A 18 -4.551 0.381 2.430 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.264 2.119 4.566 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.555 0.620 4.000 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.166 1.475 1.828 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.293 2.799 2.044 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.120 4.887 1.709 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.023 3.254 1.008 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.544 4.174 0.914 1.00 0.00 H new ATOM 244 N ASN A 19 -4.924 0.371 5.718 1.00 0.00 N ATOM 245 CA ASN A 19 -5.322 -0.461 6.848 1.00 0.00 C ATOM 246 C ASN A 19 -6.673 -1.120 6.588 1.00 0.00 C ATOM 247 O ASN A 19 -6.838 -2.323 6.790 1.00 0.00 O ATOM 248 CB ASN A 19 -5.387 0.376 8.127 1.00 0.00 C ATOM 249 CG ASN A 19 -5.745 1.823 7.853 1.00 0.00 C ATOM 250 OD1 ASN A 19 -6.902 2.224 7.987 1.00 0.00 O ATOM 251 ND2 ASN A 19 -4.752 2.616 7.466 1.00 0.00 N ATOM 0 H ASN A 19 -4.553 1.285 5.978 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.574 -1.244 6.973 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.124 -0.056 8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.424 0.333 8.636 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.933 3.600 7.267 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.808 2.241 7.368 1.00 0.00 H new ATOM 258 N ALA A 20 -7.637 -0.323 6.139 1.00 0.00 N ATOM 259 CA ALA A 20 -8.974 -0.828 5.850 1.00 0.00 C ATOM 260 C ALA A 20 -8.908 -2.137 5.069 1.00 0.00 C ATOM 261 O ALA A 20 -9.740 -3.025 5.259 1.00 0.00 O ATOM 262 CB ALA A 20 -9.775 0.210 5.078 1.00 0.00 C ATOM 0 H ALA A 20 -7.517 0.675 5.967 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.475 -1.025 6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.771 -0.181 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.859 1.120 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.269 0.435 4.139 1.00 0.00 H new ATOM 268 N ILE A 21 -7.917 -2.248 4.192 1.00 0.00 N ATOM 269 CA ILE A 21 -7.744 -3.448 3.383 1.00 0.00 C ATOM 270 C ILE A 21 -7.035 -4.544 4.171 1.00 0.00 C ATOM 271 O ILE A 21 -7.617 -5.590 4.460 1.00 0.00 O ATOM 272 CB ILE A 21 -6.943 -3.153 2.101 1.00 0.00 C ATOM 273 CG1 ILE A 21 -7.768 -2.287 1.147 1.00 0.00 C ATOM 274 CG2 ILE A 21 -6.531 -4.451 1.424 1.00 0.00 C ATOM 275 CD1 ILE A 21 -6.925 -1.456 0.205 1.00 0.00 C ATOM 0 H ILE A 21 -7.221 -1.521 4.023 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.742 -3.789 3.107 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.041 -2.605 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.426 -2.930 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.407 -1.624 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.966 -4.226 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.911 -5.035 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.421 -5.024 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.575 -0.867 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.286 -0.788 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.305 -2.113 -0.405 1.00 0.00 H new ATOM 287 N ILE A 22 -5.777 -4.297 4.517 1.00 0.00 N ATOM 288 CA ILE A 22 -4.989 -5.262 5.275 1.00 0.00 C ATOM 289 C ILE A 22 -5.780 -5.809 6.458 1.00 0.00 C ATOM 290 O ILE A 22 -5.923 -7.022 6.615 1.00 0.00 O ATOM 291 CB ILE A 22 -3.680 -4.637 5.792 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.710 -4.399 4.633 1.00 0.00 C ATOM 293 CG2 ILE A 22 -3.045 -5.534 6.845 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.346 -5.660 3.881 1.00 0.00 C ATOM 0 H ILE A 22 -5.281 -3.437 4.285 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.748 -6.078 4.594 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.910 -3.676 6.252 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.155 -3.687 3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.800 -3.941 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.121 -5.079 7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.734 -5.658 7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.825 -6.508 6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.656 -5.416 3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.872 -6.366 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.248 -6.108 3.464 1.00 0.00 H new ATOM 306 N ASP A 23 -6.295 -4.907 7.286 1.00 0.00 N ATOM 307 CA ASP A 23 -7.075 -5.299 8.454 1.00 0.00 C ATOM 308 C ASP A 23 -7.909 -6.541 8.159 1.00 0.00 C ATOM 309 O ASP A 23 -7.767 -7.571 8.820 1.00 0.00 O ATOM 310 CB ASP A 23 -7.984 -4.151 8.895 1.00 0.00 C ATOM 311 CG ASP A 23 -9.060 -4.604 9.863 1.00 0.00 C ATOM 312 OD1 ASP A 23 -8.716 -4.952 11.012 1.00 0.00 O ATOM 313 OD2 ASP A 23 -10.246 -4.609 9.472 1.00 0.00 O ATOM 0 H ASP A 23 -6.186 -3.899 7.170 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.381 -5.533 9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.381 -3.374 9.364 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.453 -3.705 8.018 1.00 0.00 H new ATOM 318 N THR A 24 -8.782 -6.438 7.162 1.00 0.00 N ATOM 319 CA THR A 24 -9.642 -7.551 6.779 1.00 0.00 C ATOM 320 C THR A 24 -8.820 -8.795 6.457 1.00 0.00 C ATOM 321 O THR A 24 -8.879 -9.793 7.175 1.00 0.00 O ATOM 322 CB THR A 24 -10.513 -7.196 5.560 1.00 0.00 C ATOM 323 OG1 THR A 24 -11.339 -6.065 5.862 1.00 0.00 O ATOM 324 CG2 THR A 24 -11.386 -8.375 5.157 1.00 0.00 C ATOM 0 H THR A 24 -8.912 -5.594 6.604 1.00 0.00 H new ATOM 0 HA THR A 24 -10.290 -7.757 7.631 1.00 0.00 H new ATOM 0 HB THR A 24 -9.853 -6.952 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.889 -5.844 5.082 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.992 -8.100 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.754 -9.225 4.901 1.00 0.00 H new ATOM 0 HG23 THR A 24 -12.038 -8.645 5.987 1.00 0.00 H new ATOM 332 N VAL A 25 -8.053 -8.727 5.374 1.00 0.00 N ATOM 333 CA VAL A 25 -7.217 -9.847 4.958 1.00 0.00 C ATOM 334 C VAL A 25 -6.575 -10.530 6.160 1.00 0.00 C ATOM 335 O VAL A 25 -6.822 -11.707 6.422 1.00 0.00 O ATOM 336 CB VAL A 25 -6.111 -9.391 3.988 1.00 0.00 C ATOM 337 CG1 VAL A 25 -5.285 -10.581 3.523 1.00 0.00 C ATOM 338 CG2 VAL A 25 -6.713 -8.654 2.801 1.00 0.00 C ATOM 0 H VAL A 25 -7.993 -7.908 4.769 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.868 -10.556 4.447 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.450 -8.704 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.509 -10.240 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.823 -11.062 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.931 -11.295 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.917 -8.339 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.397 -9.316 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.257 -7.778 3.154 1.00 0.00 H new ATOM 348 N ILE A 26 -5.751 -9.783 6.887 1.00 0.00 N ATOM 349 CA ILE A 26 -5.074 -10.316 8.062 1.00 0.00 C ATOM 350 C ILE A 26 -6.074 -10.904 9.053 1.00 0.00 C ATOM 351 O ILE A 26 -5.781 -11.881 9.740 1.00 0.00 O ATOM 352 CB ILE A 26 -4.241 -9.233 8.772 1.00 0.00 C ATOM 353 CG1 ILE A 26 -2.974 -8.927 7.971 1.00 0.00 C ATOM 354 CG2 ILE A 26 -3.887 -9.677 10.184 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.169 -7.774 8.531 1.00 0.00 C ATOM 0 H ILE A 26 -5.536 -8.807 6.683 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.407 -11.104 7.712 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.836 -8.322 8.837 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.347 -9.818 7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.251 -8.700 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.298 -8.901 10.673 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.802 -9.850 10.751 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.307 -10.599 10.141 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.285 -7.613 7.913 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.779 -6.871 8.533 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.862 -8.006 9.551 1.00 0.00 H new ATOM 367 N ASN A 27 -7.257 -10.301 9.119 1.00 0.00 N ATOM 368 CA ASN A 27 -8.301 -10.765 10.025 1.00 0.00 C ATOM 369 C ASN A 27 -9.407 -11.484 9.257 1.00 0.00 C ATOM 370 O ASN A 27 -10.570 -11.463 9.659 1.00 0.00 O ATOM 371 CB ASN A 27 -8.889 -9.587 10.804 1.00 0.00 C ATOM 372 CG ASN A 27 -7.917 -9.026 11.824 1.00 0.00 C ATOM 373 OD1 ASN A 27 -7.759 -9.575 12.915 1.00 0.00 O ATOM 374 ND2 ASN A 27 -7.261 -7.926 11.473 1.00 0.00 N ATOM 0 H ASN A 27 -7.516 -9.491 8.556 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.853 -11.469 10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.174 -8.800 10.106 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.799 -9.908 11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.594 -7.502 12.118 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.424 -7.505 10.558 1.00 0.00 H new ATOM 381 N TYR A 28 -9.034 -12.120 8.152 1.00 0.00 N ATOM 382 CA TYR A 28 -9.994 -12.844 7.327 1.00 0.00 C ATOM 383 C TYR A 28 -9.856 -14.350 7.526 1.00 0.00 C ATOM 384 O TYR A 28 -8.781 -14.850 7.858 1.00 0.00 O ATOM 385 CB TYR A 28 -9.797 -12.493 5.851 1.00 0.00 C ATOM 386 CG TYR A 28 -10.416 -13.495 4.903 1.00 0.00 C ATOM 387 CD1 TYR A 28 -9.862 -14.759 4.737 1.00 0.00 C ATOM 388 CD2 TYR A 28 -11.555 -13.179 4.173 1.00 0.00 C ATOM 389 CE1 TYR A 28 -10.423 -15.677 3.871 1.00 0.00 C ATOM 390 CE2 TYR A 28 -12.124 -14.091 3.306 1.00 0.00 C ATOM 391 CZ TYR A 28 -11.555 -15.338 3.158 1.00 0.00 C ATOM 392 OH TYR A 28 -12.118 -16.250 2.295 1.00 0.00 O ATOM 0 H TYR A 28 -8.075 -12.149 7.807 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.996 -12.545 7.634 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.227 -11.510 5.659 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.730 -12.420 5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.977 -15.028 5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -12.003 -12.203 4.286 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.979 -16.654 3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.010 -13.829 2.747 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.909 -15.855 1.872 1.00 0.00 H new ATOM 402 N LYS A 29 -10.954 -15.071 7.320 1.00 0.00 N ATOM 403 CA LYS A 29 -10.958 -16.520 7.475 1.00 0.00 C ATOM 404 C LYS A 29 -11.648 -17.191 6.291 1.00 0.00 C ATOM 405 O LYS A 29 -12.687 -16.727 5.822 1.00 0.00 O ATOM 406 CB LYS A 29 -11.659 -16.913 8.777 1.00 0.00 C ATOM 407 CG LYS A 29 -13.139 -16.571 8.798 1.00 0.00 C ATOM 408 CD LYS A 29 -13.874 -17.342 9.883 1.00 0.00 C ATOM 409 CE LYS A 29 -15.297 -16.834 10.060 1.00 0.00 C ATOM 410 NZ LYS A 29 -16.073 -17.681 11.007 1.00 0.00 N ATOM 0 H LYS A 29 -11.853 -14.674 7.045 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.923 -16.860 7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.540 -17.985 8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.167 -16.412 9.610 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.264 -15.501 8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.580 -16.798 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.894 -18.402 9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.334 -17.251 10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.274 -15.808 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.799 -16.816 9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.037 -17.303 11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.117 -18.655 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.608 -17.678 11.937 1.00 0.00 H new ATOM 506 N LEU A 36 -5.293 -16.910 8.311 1.00 0.00 N ATOM 507 CA LEU A 36 -4.333 -17.241 7.263 1.00 0.00 C ATOM 508 C LEU A 36 -3.040 -16.451 7.441 1.00 0.00 C ATOM 509 O LEU A 36 -1.946 -17.016 7.408 1.00 0.00 O ATOM 510 CB LEU A 36 -4.933 -16.955 5.885 1.00 0.00 C ATOM 511 CG LEU A 36 -6.350 -17.478 5.649 1.00 0.00 C ATOM 512 CD1 LEU A 36 -7.092 -16.585 4.667 1.00 0.00 C ATOM 513 CD2 LEU A 36 -6.311 -18.913 5.143 1.00 0.00 C ATOM 0 HA LEU A 36 -4.102 -18.304 7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.934 -15.876 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.277 -17.386 5.129 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.885 -17.463 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.099 -16.973 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.151 -15.573 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.559 -16.568 3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.328 -19.269 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.758 -18.953 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.819 -19.546 5.881 1.00 0.00 H new ATOM 525 N SER A 37 -3.172 -15.143 7.631 1.00 0.00 N ATOM 526 CA SER A 37 -2.014 -14.275 7.812 1.00 0.00 C ATOM 527 C SER A 37 -1.219 -14.683 9.049 1.00 0.00 C ATOM 528 O SER A 37 -0.033 -14.375 9.165 1.00 0.00 O ATOM 529 CB SER A 37 -2.458 -12.816 7.936 1.00 0.00 C ATOM 530 OG SER A 37 -3.384 -12.652 8.995 1.00 0.00 O ATOM 0 H SER A 37 -4.070 -14.660 7.664 1.00 0.00 H new ATOM 0 HA SER A 37 -1.372 -14.379 6.937 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.588 -12.182 8.108 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.911 -12.490 7.000 1.00 0.00 H new ATOM 0 HG SER A 37 -2.919 -12.740 9.853 1.00 0.00 H new ATOM 536 N GLU A 38 -1.881 -15.377 9.968 1.00 0.00 N ATOM 537 CA GLU A 38 -1.236 -15.827 11.197 1.00 0.00 C ATOM 538 C GLU A 38 0.077 -16.542 10.891 1.00 0.00 C ATOM 539 O GLU A 38 1.079 -16.343 11.578 1.00 0.00 O ATOM 540 CB GLU A 38 -2.167 -16.757 11.977 1.00 0.00 C ATOM 541 CG GLU A 38 -3.061 -16.032 12.969 1.00 0.00 C ATOM 542 CD GLU A 38 -3.682 -16.968 13.987 1.00 0.00 C ATOM 543 OE1 GLU A 38 -3.351 -18.172 13.964 1.00 0.00 O ATOM 544 OE2 GLU A 38 -4.498 -16.497 14.807 1.00 0.00 O ATOM 0 H GLU A 38 -2.863 -15.640 9.886 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.019 -14.949 11.806 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.791 -17.307 11.272 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.567 -17.493 12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.479 -15.271 13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.852 -15.513 12.428 1.00 0.00 H new ATOM 551 N VAL A 39 0.063 -17.376 9.857 1.00 0.00 N ATOM 552 CA VAL A 39 1.251 -18.122 9.459 1.00 0.00 C ATOM 553 C VAL A 39 2.174 -17.266 8.598 1.00 0.00 C ATOM 554 O VAL A 39 3.295 -17.666 8.285 1.00 0.00 O ATOM 555 CB VAL A 39 0.879 -19.398 8.682 1.00 0.00 C ATOM 556 CG1 VAL A 39 -0.286 -20.110 9.351 1.00 0.00 C ATOM 557 CG2 VAL A 39 0.551 -19.064 7.235 1.00 0.00 C ATOM 0 H VAL A 39 -0.759 -17.552 9.279 1.00 0.00 H new ATOM 0 HA VAL A 39 1.770 -18.403 10.375 1.00 0.00 H new ATOM 0 HB VAL A 39 1.737 -20.070 8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.535 -21.009 8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.009 -20.384 10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.151 -19.447 9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.290 -19.978 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.291 -18.372 7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.418 -18.602 6.763 1.00 0.00 H new ATOM 567 N PHE A 40 1.694 -16.086 8.219 1.00 0.00 N ATOM 568 CA PHE A 40 2.476 -15.173 7.393 1.00 0.00 C ATOM 569 C PHE A 40 2.825 -13.905 8.166 1.00 0.00 C ATOM 570 O PHE A 40 3.177 -12.883 7.576 1.00 0.00 O ATOM 571 CB PHE A 40 1.704 -14.813 6.122 1.00 0.00 C ATOM 572 CG PHE A 40 1.311 -16.008 5.301 1.00 0.00 C ATOM 573 CD1 PHE A 40 2.248 -16.668 4.522 1.00 0.00 C ATOM 574 CD2 PHE A 40 0.005 -16.470 5.306 1.00 0.00 C ATOM 575 CE1 PHE A 40 1.890 -17.768 3.766 1.00 0.00 C ATOM 576 CE2 PHE A 40 -0.358 -17.569 4.552 1.00 0.00 C ATOM 577 CZ PHE A 40 0.585 -18.218 3.780 1.00 0.00 C ATOM 0 H PHE A 40 0.768 -15.740 8.470 1.00 0.00 H new ATOM 0 HA PHE A 40 3.403 -15.676 7.116 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.806 -14.259 6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.315 -14.148 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.270 -16.319 4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.738 -15.965 5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.630 -18.275 3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.379 -17.921 4.566 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.302 -19.076 3.188 1.00 0.00 H new ATOM 587 N ILE A 41 2.725 -13.979 9.489 1.00 0.00 N ATOM 588 CA ILE A 41 3.031 -12.838 10.343 1.00 0.00 C ATOM 589 C ILE A 41 4.536 -12.616 10.447 1.00 0.00 C ATOM 590 O ILE A 41 5.054 -11.590 10.007 1.00 0.00 O ATOM 591 CB ILE A 41 2.451 -13.022 11.758 1.00 0.00 C ATOM 592 CG1 ILE A 41 0.938 -13.236 11.689 1.00 0.00 C ATOM 593 CG2 ILE A 41 2.782 -11.818 12.627 1.00 0.00 C ATOM 594 CD1 ILE A 41 0.216 -12.185 10.875 1.00 0.00 C ATOM 0 H ILE A 41 2.434 -14.817 9.993 1.00 0.00 H new ATOM 0 HA ILE A 41 2.569 -11.966 9.881 1.00 0.00 H new ATOM 0 HB ILE A 41 2.904 -13.906 12.208 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.737 -14.218 11.260 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.533 -13.242 12.701 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.365 -11.963 13.624 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.864 -11.707 12.699 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.354 -10.920 12.182 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.853 -12.400 10.869 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.386 -11.203 11.316 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.593 -12.194 9.852 1.00 0.00 H new ATOM 606 N GLN A 42 5.232 -13.587 11.030 1.00 0.00 N ATOM 607 CA GLN A 42 6.679 -13.498 11.190 1.00 0.00 C ATOM 608 C GLN A 42 7.392 -14.455 10.240 1.00 0.00 C ATOM 609 O GLN A 42 6.827 -15.467 9.823 1.00 0.00 O ATOM 610 CB GLN A 42 7.073 -13.808 12.636 1.00 0.00 C ATOM 611 CG GLN A 42 6.717 -12.701 13.614 1.00 0.00 C ATOM 612 CD GLN A 42 6.632 -13.192 15.046 1.00 0.00 C ATOM 613 OE1 GLN A 42 5.741 -13.966 15.397 1.00 0.00 O ATOM 614 NE2 GLN A 42 7.562 -12.744 15.882 1.00 0.00 N ATOM 0 H GLN A 42 4.818 -14.443 11.399 1.00 0.00 H new ATOM 0 HA GLN A 42 6.984 -12.480 10.947 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.581 -14.729 12.948 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.147 -13.989 12.680 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.464 -11.910 13.549 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.762 -12.262 13.327 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.282 -12.103 15.548 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.556 -13.041 16.858 1.00 0.00 H new ATOM 623 N LEU A 43 8.634 -14.128 9.902 1.00 0.00 N ATOM 624 CA LEU A 43 9.425 -14.958 9.000 1.00 0.00 C ATOM 625 C LEU A 43 10.603 -15.591 9.734 1.00 0.00 C ATOM 626 O LEU A 43 11.067 -15.092 10.760 1.00 0.00 O ATOM 627 CB LEU A 43 9.932 -14.126 7.821 1.00 0.00 C ATOM 628 CG LEU A 43 8.897 -13.780 6.750 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.523 -12.923 5.660 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.300 -15.047 6.157 1.00 0.00 C ATOM 0 H LEU A 43 9.115 -13.294 10.239 1.00 0.00 H new ATOM 0 HA LEU A 43 8.784 -15.755 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.348 -13.196 8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.750 -14.667 7.346 1.00 0.00 H new ATOM 0 HG LEU A 43 8.095 -13.209 7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.772 -12.687 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.902 -11.999 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.344 -13.468 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.565 -14.782 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.091 -15.645 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.815 -15.624 6.944 1.00 0.00 H new ATOM 642 N PRO A 44 11.100 -16.715 9.198 1.00 0.00 N ATOM 643 CA PRO A 44 12.232 -17.439 9.784 1.00 0.00 C ATOM 644 C PRO A 44 13.544 -16.674 9.644 1.00 0.00 C ATOM 645 O PRO A 44 13.986 -16.381 8.533 1.00 0.00 O ATOM 646 CB PRO A 44 12.280 -18.737 8.976 1.00 0.00 C ATOM 647 CG PRO A 44 11.650 -18.394 7.670 1.00 0.00 C ATOM 648 CD PRO A 44 10.596 -17.366 7.977 1.00 0.00 C ATOM 0 HA PRO A 44 12.107 -17.593 10.856 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.305 -19.082 8.842 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.737 -19.537 9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.388 -18.000 6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.211 -19.276 7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.480 -16.653 7.160 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.621 -17.826 8.140 1.00 0.00 H new ATOM 656 N SER A 45 14.162 -16.356 10.776 1.00 0.00 N ATOM 657 CA SER A 45 15.423 -15.622 10.779 1.00 0.00 C ATOM 658 C SER A 45 16.497 -16.385 10.010 1.00 0.00 C ATOM 659 O SER A 45 16.517 -17.616 10.006 1.00 0.00 O ATOM 660 CB SER A 45 15.888 -15.372 12.215 1.00 0.00 C ATOM 661 OG SER A 45 15.753 -16.540 13.006 1.00 0.00 O ATOM 0 H SER A 45 13.811 -16.595 11.703 1.00 0.00 H new ATOM 0 HA SER A 45 15.259 -14.664 10.286 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.929 -15.049 12.212 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.305 -14.563 12.654 1.00 0.00 H new ATOM 0 HG SER A 45 16.058 -16.354 13.918 1.00 0.00 H new ATOM 667 N ARG A 46 17.388 -15.645 9.359 1.00 0.00 N ATOM 668 CA ARG A 46 18.465 -16.250 8.584 1.00 0.00 C ATOM 669 C ARG A 46 19.204 -17.299 9.409 1.00 0.00 C ATOM 670 O ARG A 46 19.412 -18.426 8.959 1.00 0.00 O ATOM 671 CB ARG A 46 19.445 -15.177 8.108 1.00 0.00 C ATOM 672 CG ARG A 46 18.819 -14.149 7.179 1.00 0.00 C ATOM 673 CD ARG A 46 19.678 -12.899 7.071 1.00 0.00 C ATOM 674 NE ARG A 46 19.380 -11.938 8.129 1.00 0.00 N ATOM 675 CZ ARG A 46 19.937 -10.734 8.206 1.00 0.00 C ATOM 676 NH1 ARG A 46 20.815 -10.346 7.291 1.00 0.00 N ATOM 677 NH2 ARG A 46 19.615 -9.915 9.199 1.00 0.00 N ATOM 0 H ARG A 46 17.386 -14.625 9.353 1.00 0.00 H new ATOM 0 HA ARG A 46 18.024 -16.739 7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 46 19.860 -14.665 8.976 1.00 0.00 H new ATOM 0 HB3 ARG A 46 20.277 -15.659 7.595 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.684 -14.586 6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.829 -13.880 7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 46 20.731 -13.177 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.517 -12.431 6.100 1.00 0.00 H new ATOM 0 HE ARG A 46 18.708 -12.205 8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 46 21.064 -10.972 6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.241 -9.421 7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.939 -10.209 9.904 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.043 -8.991 9.257 1.00 0.00 H new ATOM 691 N LYS A 47 19.600 -16.921 10.620 1.00 0.00 N ATOM 692 CA LYS A 47 20.316 -17.828 11.509 1.00 0.00 C ATOM 693 C LYS A 47 19.667 -19.208 11.517 1.00 0.00 C ATOM 694 O LYS A 47 20.354 -20.227 11.462 1.00 0.00 O ATOM 695 CB LYS A 47 20.349 -17.261 12.930 1.00 0.00 C ATOM 696 CG LYS A 47 21.529 -17.749 13.753 1.00 0.00 C ATOM 697 CD LYS A 47 21.707 -16.926 15.017 1.00 0.00 C ATOM 698 CE LYS A 47 20.790 -17.410 16.130 1.00 0.00 C ATOM 699 NZ LYS A 47 21.297 -17.021 17.475 1.00 0.00 N ATOM 0 H LYS A 47 19.437 -15.992 11.008 1.00 0.00 H new ATOM 0 HA LYS A 47 21.337 -17.928 11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.379 -16.173 12.877 1.00 0.00 H new ATOM 0 HB3 LYS A 47 19.425 -17.530 13.441 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.381 -18.796 14.018 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.438 -17.697 13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 47 22.744 -16.984 15.347 1.00 0.00 H new ATOM 0 HD3 LYS A 47 21.499 -15.878 14.802 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.792 -16.996 15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 47 20.696 -18.495 16.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.644 -17.369 18.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 22.238 -17.437 17.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 21.363 -15.985 17.535 1.00 0.00 H new ATOM 713 N GLU A 48 18.339 -19.232 11.584 1.00 0.00 N ATOM 714 CA GLU A 48 17.598 -20.488 11.597 1.00 0.00 C ATOM 715 C GLU A 48 17.536 -21.098 10.200 1.00 0.00 C ATOM 716 O GLU A 48 17.964 -22.233 9.986 1.00 0.00 O ATOM 717 CB GLU A 48 16.182 -20.265 12.132 1.00 0.00 C ATOM 718 CG GLU A 48 16.146 -19.648 13.520 1.00 0.00 C ATOM 719 CD GLU A 48 16.419 -20.660 14.616 1.00 0.00 C ATOM 720 OE1 GLU A 48 16.176 -21.863 14.386 1.00 0.00 O ATOM 721 OE2 GLU A 48 16.876 -20.249 15.703 1.00 0.00 O ATOM 0 H GLU A 48 17.755 -18.397 11.630 1.00 0.00 H new ATOM 0 HA GLU A 48 18.122 -21.182 12.254 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.640 -19.619 11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.656 -21.220 12.154 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.884 -18.848 13.577 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.170 -19.193 13.686 1.00 0.00 H new ATOM 728 N LEU A 49 17.000 -20.337 9.252 1.00 0.00 N ATOM 729 CA LEU A 49 16.880 -20.802 7.875 1.00 0.00 C ATOM 730 C LEU A 49 17.364 -19.736 6.897 1.00 0.00 C ATOM 731 O LEU A 49 16.589 -18.925 6.390 1.00 0.00 O ATOM 732 CB LEU A 49 15.428 -21.172 7.565 1.00 0.00 C ATOM 733 CG LEU A 49 15.173 -21.797 6.193 1.00 0.00 C ATOM 734 CD1 LEU A 49 15.941 -23.102 6.050 1.00 0.00 C ATOM 735 CD2 LEU A 49 13.684 -22.026 5.980 1.00 0.00 C ATOM 0 H LEU A 49 16.642 -19.395 9.412 1.00 0.00 H new ATOM 0 HA LEU A 49 17.506 -21.687 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.080 -21.867 8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.818 -20.272 7.651 1.00 0.00 H new ATOM 0 HG LEU A 49 15.527 -21.106 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.747 -23.532 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.008 -22.910 6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.618 -23.801 6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.521 -22.471 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.305 -22.698 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.157 -21.073 6.038 1.00 0.00 H new ATOM 747 N PRO A 50 18.677 -19.737 6.622 1.00 0.00 N ATOM 748 CA PRO A 50 19.294 -18.778 5.701 1.00 0.00 C ATOM 749 C PRO A 50 18.892 -19.026 4.251 1.00 0.00 C ATOM 750 O PRO A 50 18.684 -18.085 3.487 1.00 0.00 O ATOM 751 CB PRO A 50 20.794 -19.021 5.889 1.00 0.00 C ATOM 752 CG PRO A 50 20.893 -20.429 6.365 1.00 0.00 C ATOM 753 CD PRO A 50 19.660 -20.675 7.190 1.00 0.00 C ATOM 0 HA PRO A 50 18.984 -17.754 5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 50 21.338 -18.880 4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 50 21.220 -18.327 6.614 1.00 0.00 H new ATOM 0 HG2 PRO A 50 20.945 -21.122 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 50 21.795 -20.578 6.958 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.322 -21.708 7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.838 -20.479 8.247 1.00 0.00 H new ATOM 761 N GLU A 51 18.784 -20.298 3.881 1.00 0.00 N ATOM 762 CA GLU A 51 18.406 -20.668 2.522 1.00 0.00 C ATOM 763 C GLU A 51 17.143 -19.930 2.088 1.00 0.00 C ATOM 764 O GLU A 51 17.053 -19.439 0.963 1.00 0.00 O ATOM 765 CB GLU A 51 18.187 -22.179 2.423 1.00 0.00 C ATOM 766 CG GLU A 51 16.757 -22.607 2.710 1.00 0.00 C ATOM 767 CD GLU A 51 16.591 -24.114 2.727 1.00 0.00 C ATOM 768 OE1 GLU A 51 17.603 -24.824 2.550 1.00 0.00 O ATOM 769 OE2 GLU A 51 15.449 -24.583 2.916 1.00 0.00 O ATOM 0 H GLU A 51 18.953 -21.089 4.502 1.00 0.00 H new ATOM 0 HA GLU A 51 19.220 -20.382 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.464 -22.513 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.855 -22.681 3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.446 -22.200 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.096 -22.181 1.955 1.00 0.00 H new ATOM 776 N TYR A 52 16.169 -19.857 2.989 1.00 0.00 N ATOM 777 CA TYR A 52 14.910 -19.182 2.700 1.00 0.00 C ATOM 778 C TYR A 52 15.154 -17.850 1.998 1.00 0.00 C ATOM 779 O TYR A 52 14.352 -17.413 1.173 1.00 0.00 O ATOM 780 CB TYR A 52 14.121 -18.955 3.990 1.00 0.00 C ATOM 781 CG TYR A 52 12.785 -18.280 3.773 1.00 0.00 C ATOM 782 CD1 TYR A 52 11.688 -18.999 3.315 1.00 0.00 C ATOM 783 CD2 TYR A 52 12.620 -16.924 4.026 1.00 0.00 C ATOM 784 CE1 TYR A 52 10.466 -18.387 3.114 1.00 0.00 C ATOM 785 CE2 TYR A 52 11.402 -16.303 3.829 1.00 0.00 C ATOM 786 CZ TYR A 52 10.328 -17.039 3.373 1.00 0.00 C ATOM 787 OH TYR A 52 9.112 -16.426 3.175 1.00 0.00 O ATOM 0 H TYR A 52 16.228 -20.257 3.925 1.00 0.00 H new ATOM 0 HA TYR A 52 14.329 -19.821 2.035 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.958 -19.915 4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.719 -18.348 4.670 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.792 -20.055 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 52 13.459 -16.345 4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.624 -18.960 2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.291 -15.248 4.031 1.00 0.00 H new ATOM 0 HH TYR A 52 9.183 -15.476 3.405 1.00 0.00 H new ATOM 797 N TYR A 53 16.268 -17.208 2.333 1.00 0.00 N ATOM 798 CA TYR A 53 16.619 -15.925 1.737 1.00 0.00 C ATOM 799 C TYR A 53 17.380 -16.121 0.429 1.00 0.00 C ATOM 800 O TYR A 53 17.316 -15.282 -0.469 1.00 0.00 O ATOM 801 CB TYR A 53 17.462 -15.100 2.712 1.00 0.00 C ATOM 802 CG TYR A 53 16.706 -14.661 3.945 1.00 0.00 C ATOM 803 CD1 TYR A 53 16.456 -15.549 4.984 1.00 0.00 C ATOM 804 CD2 TYR A 53 16.242 -13.357 4.071 1.00 0.00 C ATOM 805 CE1 TYR A 53 15.765 -15.152 6.112 1.00 0.00 C ATOM 806 CE2 TYR A 53 15.551 -12.951 5.196 1.00 0.00 C ATOM 807 CZ TYR A 53 15.314 -13.852 6.214 1.00 0.00 C ATOM 808 OH TYR A 53 14.626 -13.453 7.336 1.00 0.00 O ATOM 0 H TYR A 53 16.943 -17.555 3.014 1.00 0.00 H new ATOM 0 HA TYR A 53 15.695 -15.389 1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 53 18.328 -15.687 3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 53 17.841 -14.218 2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 53 16.808 -16.567 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 53 16.425 -12.649 3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.579 -15.855 6.910 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.198 -11.934 5.278 1.00 0.00 H new ATOM 0 HH TYR A 53 14.355 -14.241 7.851 1.00 0.00 H new ATOM 818 N GLU A 54 18.099 -17.235 0.331 1.00 0.00 N ATOM 819 CA GLU A 54 18.872 -17.542 -0.867 1.00 0.00 C ATOM 820 C GLU A 54 17.967 -17.623 -2.092 1.00 0.00 C ATOM 821 O GLU A 54 18.259 -17.034 -3.134 1.00 0.00 O ATOM 822 CB GLU A 54 19.628 -18.860 -0.689 1.00 0.00 C ATOM 823 CG GLU A 54 20.649 -18.829 0.435 1.00 0.00 C ATOM 824 CD GLU A 54 21.904 -18.063 0.063 1.00 0.00 C ATOM 825 OE1 GLU A 54 22.630 -18.518 -0.845 1.00 0.00 O ATOM 826 OE2 GLU A 54 22.159 -17.007 0.679 1.00 0.00 O ATOM 0 H GLU A 54 18.162 -17.939 1.066 1.00 0.00 H new ATOM 0 HA GLU A 54 19.591 -16.737 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.911 -19.657 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.135 -19.107 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.199 -18.374 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.918 -19.850 0.705 1.00 0.00 H new ATOM 833 N LEU A 55 16.867 -18.357 -1.961 1.00 0.00 N ATOM 834 CA LEU A 55 15.918 -18.517 -3.058 1.00 0.00 C ATOM 835 C LEU A 55 14.971 -17.324 -3.136 1.00 0.00 C ATOM 836 O LEU A 55 14.741 -16.771 -4.212 1.00 0.00 O ATOM 837 CB LEU A 55 15.118 -19.808 -2.881 1.00 0.00 C ATOM 838 CG LEU A 55 14.895 -20.268 -1.440 1.00 0.00 C ATOM 839 CD1 LEU A 55 13.587 -21.034 -1.320 1.00 0.00 C ATOM 840 CD2 LEU A 55 16.061 -21.124 -0.967 1.00 0.00 C ATOM 0 H LEU A 55 16.610 -18.851 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 55 16.481 -18.571 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.145 -19.676 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.629 -20.605 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 55 14.835 -19.386 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.446 -21.353 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.759 -20.390 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.617 -21.909 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.885 -21.442 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.152 -22.001 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.982 -20.543 -1.014 1.00 0.00 H new ATOM 852 N ILE A 56 14.425 -16.932 -1.989 1.00 0.00 N ATOM 853 CA ILE A 56 13.506 -15.803 -1.928 1.00 0.00 C ATOM 854 C ILE A 56 14.231 -14.488 -2.195 1.00 0.00 C ATOM 855 O ILE A 56 15.308 -14.241 -1.652 1.00 0.00 O ATOM 856 CB ILE A 56 12.805 -15.721 -0.559 1.00 0.00 C ATOM 857 CG1 ILE A 56 12.014 -17.003 -0.290 1.00 0.00 C ATOM 858 CG2 ILE A 56 11.890 -14.507 -0.504 1.00 0.00 C ATOM 859 CD1 ILE A 56 11.003 -17.327 -1.367 1.00 0.00 C ATOM 0 H ILE A 56 14.604 -17.380 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 56 12.756 -15.965 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 56 13.564 -15.615 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.710 -17.836 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.497 -16.908 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.402 -14.463 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 56 12.477 -13.602 -0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.134 -14.585 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.480 -18.248 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.284 -16.512 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.515 -17.455 -2.320 1.00 0.00 H new ATOM 871 N ARG A 57 13.632 -13.648 -3.032 1.00 0.00 N ATOM 872 CA ARG A 57 14.221 -12.357 -3.370 1.00 0.00 C ATOM 873 C ARG A 57 13.888 -11.313 -2.308 1.00 0.00 C ATOM 874 O ARG A 57 14.780 -10.763 -1.661 1.00 0.00 O ATOM 875 CB ARG A 57 13.721 -11.887 -4.737 1.00 0.00 C ATOM 876 CG ARG A 57 14.049 -12.847 -5.869 1.00 0.00 C ATOM 877 CD ARG A 57 15.440 -12.592 -6.429 1.00 0.00 C ATOM 878 NE ARG A 57 15.574 -11.241 -6.967 1.00 0.00 N ATOM 879 CZ ARG A 57 16.702 -10.765 -7.483 1.00 0.00 C ATOM 880 NH1 ARG A 57 17.786 -11.526 -7.531 1.00 0.00 N ATOM 881 NH2 ARG A 57 16.745 -9.525 -7.954 1.00 0.00 N ATOM 0 H ARG A 57 12.740 -13.837 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 57 15.304 -12.478 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.641 -11.748 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.158 -10.914 -4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.983 -13.873 -5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.310 -12.741 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 57 16.180 -12.745 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 57 15.653 -13.318 -7.214 1.00 0.00 H new ATOM 0 HE ARG A 57 14.758 -10.630 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 57 17.756 -12.480 -7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 57 18.650 -11.158 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.912 -8.937 -7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 57 17.611 -9.160 -8.350 1.00 0.00 H new ATOM 895 N LYS A 58 12.599 -11.044 -2.134 1.00 0.00 N ATOM 896 CA LYS A 58 12.146 -10.067 -1.151 1.00 0.00 C ATOM 897 C LYS A 58 11.164 -10.697 -0.169 1.00 0.00 C ATOM 898 O LYS A 58 9.946 -10.586 -0.314 1.00 0.00 O ATOM 899 CB LYS A 58 11.490 -8.875 -1.850 1.00 0.00 C ATOM 900 CG LYS A 58 12.451 -8.067 -2.705 1.00 0.00 C ATOM 901 CD LYS A 58 11.884 -6.696 -3.038 1.00 0.00 C ATOM 902 CE LYS A 58 12.452 -6.160 -4.343 1.00 0.00 C ATOM 903 NZ LYS A 58 12.286 -4.685 -4.455 1.00 0.00 N ATOM 0 H LYS A 58 11.848 -11.489 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 58 13.017 -9.720 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.675 -9.236 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.049 -8.221 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.399 -7.952 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.662 -8.608 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.798 -6.758 -3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.110 -6.001 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.510 -6.413 -4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.955 -6.646 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.686 -4.358 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.275 -4.446 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.782 -4.219 -3.668 1.00 0.00 H new ATOM 917 N PRO A 59 11.703 -11.374 0.856 1.00 0.00 N ATOM 918 CA PRO A 59 10.891 -12.034 1.883 1.00 0.00 C ATOM 919 C PRO A 59 10.179 -11.036 2.789 1.00 0.00 C ATOM 920 O PRO A 59 10.629 -10.761 3.901 1.00 0.00 O ATOM 921 CB PRO A 59 11.916 -12.843 2.681 1.00 0.00 C ATOM 922 CG PRO A 59 13.205 -12.124 2.479 1.00 0.00 C ATOM 923 CD PRO A 59 13.146 -11.548 1.092 1.00 0.00 C ATOM 0 HA PRO A 59 10.096 -12.639 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.649 -12.889 3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.975 -13.871 2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.334 -11.338 3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.051 -12.803 2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.681 -10.600 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.595 -12.218 0.359 1.00 0.00 H new ATOM 931 N VAL A 60 9.064 -10.496 2.306 1.00 0.00 N ATOM 932 CA VAL A 60 8.288 -9.528 3.074 1.00 0.00 C ATOM 933 C VAL A 60 7.256 -10.225 3.953 1.00 0.00 C ATOM 934 O VAL A 60 6.823 -11.338 3.656 1.00 0.00 O ATOM 935 CB VAL A 60 7.569 -8.527 2.151 1.00 0.00 C ATOM 936 CG1 VAL A 60 6.545 -9.242 1.282 1.00 0.00 C ATOM 937 CG2 VAL A 60 6.910 -7.427 2.969 1.00 0.00 C ATOM 0 H VAL A 60 8.678 -10.712 1.387 1.00 0.00 H new ATOM 0 HA VAL A 60 8.992 -8.987 3.706 1.00 0.00 H new ATOM 0 HB VAL A 60 8.309 -8.068 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.047 -8.519 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.047 -9.990 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.806 -9.730 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.407 -6.728 2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.181 -7.867 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.669 -6.896 3.543 1.00 0.00 H new ATOM 947 N ASP A 61 6.866 -9.563 5.036 1.00 0.00 N ATOM 948 CA ASP A 61 5.883 -10.117 5.959 1.00 0.00 C ATOM 949 C ASP A 61 4.759 -9.119 6.221 1.00 0.00 C ATOM 950 O ASP A 61 4.853 -7.950 5.845 1.00 0.00 O ATOM 951 CB ASP A 61 6.552 -10.508 7.278 1.00 0.00 C ATOM 952 CG ASP A 61 7.715 -9.600 7.628 1.00 0.00 C ATOM 953 OD1 ASP A 61 7.465 -8.490 8.144 1.00 0.00 O ATOM 954 OD2 ASP A 61 8.873 -9.998 7.385 1.00 0.00 O ATOM 0 H ASP A 61 7.216 -8.641 5.297 1.00 0.00 H new ATOM 0 HA ASP A 61 5.454 -11.008 5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.815 -10.475 8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.905 -11.537 7.212 1.00 0.00 H new ATOM 959 N PHE A 62 3.697 -9.587 6.867 1.00 0.00 N ATOM 960 CA PHE A 62 2.554 -8.736 7.177 1.00 0.00 C ATOM 961 C PHE A 62 2.920 -7.698 8.234 1.00 0.00 C ATOM 962 O PHE A 62 2.190 -6.731 8.451 1.00 0.00 O ATOM 963 CB PHE A 62 1.377 -9.584 7.665 1.00 0.00 C ATOM 964 CG PHE A 62 0.499 -10.085 6.555 1.00 0.00 C ATOM 965 CD1 PHE A 62 -0.272 -9.205 5.812 1.00 0.00 C ATOM 966 CD2 PHE A 62 0.444 -11.437 6.254 1.00 0.00 C ATOM 967 CE1 PHE A 62 -1.081 -9.664 4.791 1.00 0.00 C ATOM 968 CE2 PHE A 62 -0.364 -11.901 5.233 1.00 0.00 C ATOM 969 CZ PHE A 62 -1.127 -11.014 4.500 1.00 0.00 C ATOM 0 H PHE A 62 3.604 -10.551 7.186 1.00 0.00 H new ATOM 0 HA PHE A 62 2.263 -8.214 6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.761 -10.436 8.226 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.775 -8.993 8.355 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.240 -8.149 6.034 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.039 -12.136 6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.678 -8.968 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.398 -12.957 5.009 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.758 -11.374 3.701 1.00 0.00 H new ATOM 979 N LYS A 63 4.057 -7.906 8.890 1.00 0.00 N ATOM 980 CA LYS A 63 4.523 -6.990 9.924 1.00 0.00 C ATOM 981 C LYS A 63 5.209 -5.775 9.306 1.00 0.00 C ATOM 982 O LYS A 63 5.276 -4.709 9.917 1.00 0.00 O ATOM 983 CB LYS A 63 5.487 -7.706 10.872 1.00 0.00 C ATOM 984 CG LYS A 63 4.796 -8.639 11.851 1.00 0.00 C ATOM 985 CD LYS A 63 5.732 -9.737 12.330 1.00 0.00 C ATOM 986 CE LYS A 63 6.921 -9.165 13.087 1.00 0.00 C ATOM 987 NZ LYS A 63 6.526 -8.637 14.423 1.00 0.00 N ATOM 0 H LYS A 63 4.673 -8.702 8.723 1.00 0.00 H new ATOM 0 HA LYS A 63 3.656 -6.647 10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.205 -8.277 10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.054 -6.961 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.435 -8.068 12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.923 -9.086 11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.186 -10.426 12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.086 -10.313 11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.678 -9.939 13.212 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.375 -8.366 12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.375 -8.334 14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.887 -7.826 14.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.040 -9.382 14.961 1.00 0.00 H new ATOM 1001 N LYS A 64 5.717 -5.944 8.090 1.00 0.00 N ATOM 1002 CA LYS A 64 6.396 -4.861 7.387 1.00 0.00 C ATOM 1003 C LYS A 64 5.403 -4.026 6.586 1.00 0.00 C ATOM 1004 O LYS A 64 5.513 -2.801 6.528 1.00 0.00 O ATOM 1005 CB LYS A 64 7.471 -5.426 6.456 1.00 0.00 C ATOM 1006 CG LYS A 64 8.749 -5.825 7.174 1.00 0.00 C ATOM 1007 CD LYS A 64 9.725 -4.664 7.263 1.00 0.00 C ATOM 1008 CE LYS A 64 9.209 -3.573 8.188 1.00 0.00 C ATOM 1009 NZ LYS A 64 10.306 -2.682 8.659 1.00 0.00 N ATOM 0 H LYS A 64 5.672 -6.821 7.570 1.00 0.00 H new ATOM 0 HA LYS A 64 6.868 -4.218 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.069 -6.296 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.709 -4.682 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.509 -6.177 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.218 -6.656 6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.688 -5.024 7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.892 -4.251 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.458 -2.980 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.716 -4.028 9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.914 -1.951 9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.011 -3.244 9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.760 -2.228 7.841 1.00 0.00 H new ATOM 1023 N ILE A 65 4.433 -4.695 5.972 1.00 0.00 N ATOM 1024 CA ILE A 65 3.419 -4.013 5.177 1.00 0.00 C ATOM 1025 C ILE A 65 2.624 -3.029 6.028 1.00 0.00 C ATOM 1026 O ILE A 65 2.272 -1.940 5.574 1.00 0.00 O ATOM 1027 CB ILE A 65 2.447 -5.014 4.526 1.00 0.00 C ATOM 1028 CG1 ILE A 65 3.207 -5.972 3.607 1.00 0.00 C ATOM 1029 CG2 ILE A 65 1.366 -4.274 3.751 1.00 0.00 C ATOM 1030 CD1 ILE A 65 2.528 -7.314 3.438 1.00 0.00 C ATOM 0 H ILE A 65 4.328 -5.709 6.010 1.00 0.00 H new ATOM 0 HA ILE A 65 3.946 -3.469 4.393 1.00 0.00 H new ATOM 0 HB ILE A 65 1.969 -5.598 5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.324 -5.507 2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.209 -6.129 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.686 -4.995 3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.809 -3.628 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.827 -3.668 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.122 -7.942 2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.435 -7.800 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.537 -7.169 3.009 1.00 0.00 H new ATOM 1042 N LYS A 66 2.344 -3.418 7.268 1.00 0.00 N ATOM 1043 CA LYS A 66 1.593 -2.571 8.186 1.00 0.00 C ATOM 1044 C LYS A 66 2.439 -1.390 8.652 1.00 0.00 C ATOM 1045 O LYS A 66 2.025 -0.237 8.544 1.00 0.00 O ATOM 1046 CB LYS A 66 1.122 -3.384 9.394 1.00 0.00 C ATOM 1047 CG LYS A 66 -0.242 -4.023 9.202 1.00 0.00 C ATOM 1048 CD LYS A 66 -0.837 -4.474 10.526 1.00 0.00 C ATOM 1049 CE LYS A 66 -2.358 -4.463 10.486 1.00 0.00 C ATOM 1050 NZ LYS A 66 -2.949 -4.719 11.828 1.00 0.00 N ATOM 0 H LYS A 66 2.627 -4.316 7.660 1.00 0.00 H new ATOM 0 HA LYS A 66 0.723 -2.185 7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.853 -4.165 9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.090 -2.734 10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.914 -3.311 8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.153 -4.878 8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.485 -5.479 10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.488 -3.819 11.325 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.705 -3.499 10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.708 -5.220 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.987 -4.704 11.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.639 -5.650 12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.635 -3.982 12.492 1.00 0.00 H new ATOM 1064 N GLU A 67 3.627 -1.688 9.171 1.00 0.00 N ATOM 1065 CA GLU A 67 4.530 -0.650 9.653 1.00 0.00 C ATOM 1066 C GLU A 67 4.613 0.504 8.658 1.00 0.00 C ATOM 1067 O GLU A 67 4.357 1.657 9.006 1.00 0.00 O ATOM 1068 CB GLU A 67 5.925 -1.229 9.896 1.00 0.00 C ATOM 1069 CG GLU A 67 6.883 -0.254 10.561 1.00 0.00 C ATOM 1070 CD GLU A 67 6.238 0.509 11.702 1.00 0.00 C ATOM 1071 OE1 GLU A 67 5.821 -0.135 12.686 1.00 0.00 O ATOM 1072 OE2 GLU A 67 6.153 1.752 11.609 1.00 0.00 O ATOM 0 H GLU A 67 3.985 -2.638 9.268 1.00 0.00 H new ATOM 0 HA GLU A 67 4.134 -0.268 10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.836 -2.119 10.519 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.348 -1.547 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.748 -0.800 10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.250 0.453 9.817 1.00 0.00 H new ATOM 1079 N ARG A 68 4.975 0.186 7.420 1.00 0.00 N ATOM 1080 CA ARG A 68 5.094 1.195 6.375 1.00 0.00 C ATOM 1081 C ARG A 68 3.915 2.163 6.417 1.00 0.00 C ATOM 1082 O ARG A 68 4.100 3.381 6.442 1.00 0.00 O ATOM 1083 CB ARG A 68 5.171 0.529 4.999 1.00 0.00 C ATOM 1084 CG ARG A 68 6.330 -0.444 4.858 1.00 0.00 C ATOM 1085 CD ARG A 68 7.581 0.249 4.344 1.00 0.00 C ATOM 1086 NE ARG A 68 7.507 0.523 2.912 1.00 0.00 N ATOM 1087 CZ ARG A 68 8.546 0.913 2.183 1.00 0.00 C ATOM 1088 NH1 ARG A 68 9.734 1.075 2.749 1.00 0.00 N ATOM 1089 NH2 ARG A 68 8.399 1.143 0.884 1.00 0.00 N ATOM 0 H ARG A 68 5.191 -0.763 7.116 1.00 0.00 H new ATOM 0 HA ARG A 68 6.011 1.757 6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.238 -0.001 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.261 1.301 4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.539 -0.905 5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.051 -1.247 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.725 1.184 4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.451 -0.375 4.549 1.00 0.00 H new ATOM 0 HE ARG A 68 6.607 0.408 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.852 0.900 3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.530 1.375 2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.487 1.020 0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.198 1.443 0.325 1.00 0.00 H new ATOM 1103 N ILE A 69 2.705 1.615 6.425 1.00 0.00 N ATOM 1104 CA ILE A 69 1.498 2.430 6.466 1.00 0.00 C ATOM 1105 C ILE A 69 1.537 3.413 7.631 1.00 0.00 C ATOM 1106 O ILE A 69 1.071 4.546 7.515 1.00 0.00 O ATOM 1107 CB ILE A 69 0.234 1.558 6.586 1.00 0.00 C ATOM 1108 CG1 ILE A 69 0.144 0.586 5.408 1.00 0.00 C ATOM 1109 CG2 ILE A 69 -1.009 2.433 6.654 1.00 0.00 C ATOM 1110 CD1 ILE A 69 -0.757 -0.600 5.670 1.00 0.00 C ATOM 0 H ILE A 69 2.535 0.610 6.404 1.00 0.00 H new ATOM 0 HA ILE A 69 1.460 2.984 5.528 1.00 0.00 H new ATOM 0 HB ILE A 69 0.297 0.978 7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.221 1.122 4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.144 0.226 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.894 1.802 6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.946 3.088 7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.079 3.037 5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.773 -1.246 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.381 -1.160 6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.767 -0.250 5.881 1.00 0.00 H new ATOM 1122 N ARG A 70 2.097 2.971 8.752 1.00 0.00 N ATOM 1123 CA ARG A 70 2.197 3.812 9.939 1.00 0.00 C ATOM 1124 C ARG A 70 3.311 4.843 9.781 1.00 0.00 C ATOM 1125 O ARG A 70 3.182 5.983 10.225 1.00 0.00 O ATOM 1126 CB ARG A 70 2.454 2.953 11.178 1.00 0.00 C ATOM 1127 CG ARG A 70 1.642 1.669 11.208 1.00 0.00 C ATOM 1128 CD ARG A 70 0.148 1.954 11.231 1.00 0.00 C ATOM 1129 NE ARG A 70 -0.243 2.730 12.405 1.00 0.00 N ATOM 1130 CZ ARG A 70 -1.452 3.255 12.569 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -2.382 3.089 11.640 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -1.731 3.949 13.665 1.00 0.00 N ATOM 0 H ARG A 70 2.488 2.036 8.863 1.00 0.00 H new ATOM 0 HA ARG A 70 1.251 4.340 10.062 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.514 2.704 11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.226 3.538 12.069 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.884 1.064 10.335 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.916 1.085 12.087 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.131 2.497 10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.401 1.012 11.220 1.00 0.00 H new ATOM 0 HE ARG A 70 0.450 2.877 13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.170 2.557 10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.310 3.493 11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.017 4.079 14.382 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.659 4.352 13.791 1.00 0.00 H new ATOM 1146 N ASN A 71 4.405 4.433 9.147 1.00 0.00 N ATOM 1147 CA ASN A 71 5.542 5.320 8.933 1.00 0.00 C ATOM 1148 C ASN A 71 5.363 6.135 7.655 1.00 0.00 C ATOM 1149 O ASN A 71 6.334 6.613 7.069 1.00 0.00 O ATOM 1150 CB ASN A 71 6.839 4.513 8.858 1.00 0.00 C ATOM 1151 CG ASN A 71 7.435 4.248 10.227 1.00 0.00 C ATOM 1152 OD1 ASN A 71 6.982 4.798 11.230 1.00 0.00 O ATOM 1153 ND2 ASN A 71 8.458 3.401 10.273 1.00 0.00 N ATOM 0 H ASN A 71 4.528 3.492 8.773 1.00 0.00 H new ATOM 0 HA ASN A 71 5.598 6.007 9.777 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.645 3.563 8.359 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.564 5.051 8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.901 3.184 11.166 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.801 2.968 9.415 1.00 0.00 H new ATOM 1160 N HIS A 72 4.113 6.290 7.229 1.00 0.00 N ATOM 1161 CA HIS A 72 3.805 7.048 6.021 1.00 0.00 C ATOM 1162 C HIS A 72 4.830 6.765 4.927 1.00 0.00 C ATOM 1163 O HIS A 72 5.280 7.677 4.233 1.00 0.00 O ATOM 1164 CB HIS A 72 3.770 8.545 6.329 1.00 0.00 C ATOM 1165 CG HIS A 72 3.282 8.862 7.709 1.00 0.00 C ATOM 1166 ND1 HIS A 72 1.964 9.145 7.995 1.00 0.00 N ATOM 1167 CD2 HIS A 72 3.945 8.937 8.887 1.00 0.00 C ATOM 1168 CE1 HIS A 72 1.837 9.383 9.288 1.00 0.00 C ATOM 1169 NE2 HIS A 72 3.025 9.262 9.853 1.00 0.00 N ATOM 0 H HIS A 72 3.297 5.901 7.702 1.00 0.00 H new ATOM 0 HA HIS A 72 2.824 6.735 5.665 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.771 8.957 6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.127 9.042 5.602 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.001 8.772 9.039 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.918 9.634 9.797 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.226 9.389 10.845 1.00 0.00 H new ATOM 1178 N LYS A 73 5.196 5.497 4.779 1.00 0.00 N ATOM 1179 CA LYS A 73 6.167 5.093 3.769 1.00 0.00 C ATOM 1180 C LYS A 73 5.501 4.936 2.405 1.00 0.00 C ATOM 1181 O LYS A 73 5.881 5.599 1.439 1.00 0.00 O ATOM 1182 CB LYS A 73 6.838 3.779 4.174 1.00 0.00 C ATOM 1183 CG LYS A 73 8.108 3.969 4.987 1.00 0.00 C ATOM 1184 CD LYS A 73 9.341 3.980 4.099 1.00 0.00 C ATOM 1185 CE LYS A 73 9.694 5.391 3.653 1.00 0.00 C ATOM 1186 NZ LYS A 73 10.833 5.400 2.693 1.00 0.00 N ATOM 0 H LYS A 73 4.835 4.730 5.346 1.00 0.00 H new ATOM 0 HA LYS A 73 6.924 5.874 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.132 3.184 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.074 3.209 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.049 4.905 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.194 3.168 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.183 3.546 4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.166 3.354 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.823 5.854 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.948 5.994 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.043 6.379 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.671 4.982 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.581 4.845 1.850 1.00 0.00 H new ATOM 1200 N TYR A 74 4.507 4.058 2.335 1.00 0.00 N ATOM 1201 CA TYR A 74 3.789 3.815 1.089 1.00 0.00 C ATOM 1202 C TYR A 74 3.209 5.111 0.533 1.00 0.00 C ATOM 1203 O TYR A 74 2.835 6.011 1.285 1.00 0.00 O ATOM 1204 CB TYR A 74 2.670 2.797 1.312 1.00 0.00 C ATOM 1205 CG TYR A 74 3.168 1.382 1.506 1.00 0.00 C ATOM 1206 CD1 TYR A 74 4.149 0.850 0.679 1.00 0.00 C ATOM 1207 CD2 TYR A 74 2.658 0.578 2.518 1.00 0.00 C ATOM 1208 CE1 TYR A 74 4.606 -0.442 0.852 1.00 0.00 C ATOM 1209 CE2 TYR A 74 3.110 -0.715 2.700 1.00 0.00 C ATOM 1210 CZ TYR A 74 4.084 -1.220 1.864 1.00 0.00 C ATOM 1211 OH TYR A 74 4.538 -2.507 2.041 1.00 0.00 O ATOM 0 H TYR A 74 4.180 3.503 3.126 1.00 0.00 H new ATOM 0 HA TYR A 74 4.497 3.414 0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.091 3.092 2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.993 2.821 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.562 1.457 -0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.895 0.971 3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.368 -0.841 0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.703 -1.326 3.492 1.00 0.00 H new ATOM 0 HH TYR A 74 3.774 -3.118 2.102 1.00 0.00 H new ATOM 1221 N ARG A 75 3.138 5.199 -0.792 1.00 0.00 N ATOM 1222 CA ARG A 75 2.604 6.385 -1.451 1.00 0.00 C ATOM 1223 C ARG A 75 1.177 6.143 -1.934 1.00 0.00 C ATOM 1224 O ARG A 75 0.339 7.043 -1.901 1.00 0.00 O ATOM 1225 CB ARG A 75 3.493 6.782 -2.631 1.00 0.00 C ATOM 1226 CG ARG A 75 4.735 7.559 -2.225 1.00 0.00 C ATOM 1227 CD ARG A 75 4.378 8.932 -1.677 1.00 0.00 C ATOM 1228 NE ARG A 75 5.552 9.789 -1.541 1.00 0.00 N ATOM 1229 CZ ARG A 75 5.517 11.005 -1.009 1.00 0.00 C ATOM 1230 NH1 ARG A 75 4.372 11.505 -0.564 1.00 0.00 N ATOM 1231 NH2 ARG A 75 6.628 11.725 -0.920 1.00 0.00 N ATOM 0 H ARG A 75 3.443 4.464 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 75 2.590 7.198 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.797 5.882 -3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.910 7.384 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.287 6.997 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.394 7.670 -3.086 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.655 9.410 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.896 8.821 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 75 6.449 9.434 -1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.515 10.955 -0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.348 12.439 -0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.511 11.345 -1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.599 12.659 -0.511 1.00 0.00 H new ATOM 1245 N SER A 76 0.909 4.920 -2.382 1.00 0.00 N ATOM 1246 CA SER A 76 -0.415 4.561 -2.876 1.00 0.00 C ATOM 1247 C SER A 76 -0.604 3.047 -2.871 1.00 0.00 C ATOM 1248 O SER A 76 0.331 2.293 -2.596 1.00 0.00 O ATOM 1249 CB SER A 76 -0.620 5.107 -4.290 1.00 0.00 C ATOM 1250 OG SER A 76 0.376 4.623 -5.174 1.00 0.00 O ATOM 0 H SER A 76 1.591 4.162 -2.413 1.00 0.00 H new ATOM 0 HA SER A 76 -1.157 5.005 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.606 4.818 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.594 6.196 -4.270 1.00 0.00 H new ATOM 0 HG SER A 76 0.221 4.985 -6.071 1.00 0.00 H new ATOM 1256 N LEU A 77 -1.820 2.608 -3.176 1.00 0.00 N ATOM 1257 CA LEU A 77 -2.133 1.183 -3.208 1.00 0.00 C ATOM 1258 C LEU A 77 -1.135 0.425 -4.076 1.00 0.00 C ATOM 1259 O LEU A 77 -0.788 -0.719 -3.786 1.00 0.00 O ATOM 1260 CB LEU A 77 -3.553 0.965 -3.734 1.00 0.00 C ATOM 1261 CG LEU A 77 -4.663 0.949 -2.682 1.00 0.00 C ATOM 1262 CD1 LEU A 77 -4.306 0.007 -1.543 1.00 0.00 C ATOM 1263 CD2 LEU A 77 -4.920 2.353 -2.155 1.00 0.00 C ATOM 0 H LEU A 77 -2.605 3.218 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.066 0.798 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.776 1.750 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.578 0.018 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.577 0.587 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.108 0.009 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.175 -1.002 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.380 0.338 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.713 2.322 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.009 2.744 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.222 3.001 -2.978 1.00 0.00 H new ATOM 1275 N GLY A 78 -0.674 1.071 -5.142 1.00 0.00 N ATOM 1276 CA GLY A 78 0.282 0.443 -6.035 1.00 0.00 C ATOM 1277 C GLY A 78 1.495 -0.093 -5.302 1.00 0.00 C ATOM 1278 O GLY A 78 2.196 -0.971 -5.806 1.00 0.00 O ATOM 0 H GLY A 78 -0.946 2.019 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.206 -0.373 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.604 1.166 -6.784 1.00 0.00 H new ATOM 1282 N ASP A 79 1.744 0.435 -4.109 1.00 0.00 N ATOM 1283 CA ASP A 79 2.881 0.004 -3.304 1.00 0.00 C ATOM 1284 C ASP A 79 2.476 -1.108 -2.342 1.00 0.00 C ATOM 1285 O ASP A 79 3.269 -2.000 -2.037 1.00 0.00 O ATOM 1286 CB ASP A 79 3.458 1.186 -2.523 1.00 0.00 C ATOM 1287 CG ASP A 79 3.807 2.358 -3.420 1.00 0.00 C ATOM 1288 OD1 ASP A 79 4.341 2.122 -4.524 1.00 0.00 O ATOM 1289 OD2 ASP A 79 3.545 3.511 -3.018 1.00 0.00 O ATOM 0 H ASP A 79 1.174 1.162 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 79 3.645 -0.384 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.736 1.509 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.351 0.863 -1.988 1.00 0.00 H new ATOM 1294 N LEU A 80 1.238 -1.048 -1.865 1.00 0.00 N ATOM 1295 CA LEU A 80 0.727 -2.050 -0.936 1.00 0.00 C ATOM 1296 C LEU A 80 0.432 -3.361 -1.657 1.00 0.00 C ATOM 1297 O LEU A 80 0.781 -4.438 -1.174 1.00 0.00 O ATOM 1298 CB LEU A 80 -0.540 -1.537 -0.248 1.00 0.00 C ATOM 1299 CG LEU A 80 -1.291 -2.550 0.617 1.00 0.00 C ATOM 1300 CD1 LEU A 80 -0.649 -2.661 1.990 1.00 0.00 C ATOM 1301 CD2 LEU A 80 -2.757 -2.161 0.741 1.00 0.00 C ATOM 0 H LEU A 80 0.569 -0.316 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 80 1.493 -2.235 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.271 -0.685 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.221 -1.168 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.234 -3.525 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.198 -3.387 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.386 -2.987 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.674 -1.689 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.276 -2.893 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.834 -1.176 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.212 -2.135 -0.249 1.00 0.00 H new ATOM 1313 N GLU A 81 -0.211 -3.262 -2.816 1.00 0.00 N ATOM 1314 CA GLU A 81 -0.551 -4.441 -3.604 1.00 0.00 C ATOM 1315 C GLU A 81 0.705 -5.212 -3.999 1.00 0.00 C ATOM 1316 O GLU A 81 0.785 -6.427 -3.815 1.00 0.00 O ATOM 1317 CB GLU A 81 -1.330 -4.037 -4.858 1.00 0.00 C ATOM 1318 CG GLU A 81 -1.998 -5.205 -5.562 1.00 0.00 C ATOM 1319 CD GLU A 81 -2.751 -4.782 -6.809 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -3.643 -3.916 -6.698 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -2.446 -5.317 -7.895 1.00 0.00 O ATOM 0 H GLU A 81 -0.507 -2.378 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.176 -5.089 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.091 -3.306 -4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.651 -3.544 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.242 -5.942 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.688 -5.693 -4.873 1.00 0.00 H new ATOM 1328 N LYS A 82 1.684 -4.498 -4.543 1.00 0.00 N ATOM 1329 CA LYS A 82 2.937 -5.113 -4.964 1.00 0.00 C ATOM 1330 C LYS A 82 3.605 -5.838 -3.801 1.00 0.00 C ATOM 1331 O LYS A 82 4.294 -6.840 -3.995 1.00 0.00 O ATOM 1332 CB LYS A 82 3.885 -4.052 -5.529 1.00 0.00 C ATOM 1333 CG LYS A 82 4.568 -3.216 -4.461 1.00 0.00 C ATOM 1334 CD LYS A 82 5.800 -2.514 -5.006 1.00 0.00 C ATOM 1335 CE LYS A 82 6.983 -3.464 -5.109 1.00 0.00 C ATOM 1336 NZ LYS A 82 8.256 -2.739 -5.379 1.00 0.00 N ATOM 0 H LYS A 82 1.634 -3.492 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 82 2.711 -5.842 -5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.646 -4.543 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.325 -3.392 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.868 -2.476 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.852 -3.854 -3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.579 -2.099 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.060 -1.677 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.077 -4.029 -4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.801 -4.186 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.038 -3.422 -5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.176 -2.220 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.444 -2.068 -4.607 1.00 0.00 H new ATOM 1350 N ASP A 83 3.396 -5.327 -2.592 1.00 0.00 N ATOM 1351 CA ASP A 83 3.976 -5.928 -1.397 1.00 0.00 C ATOM 1352 C ASP A 83 3.125 -7.096 -0.908 1.00 0.00 C ATOM 1353 O ASP A 83 3.650 -8.113 -0.454 1.00 0.00 O ATOM 1354 CB ASP A 83 4.114 -4.882 -0.290 1.00 0.00 C ATOM 1355 CG ASP A 83 5.413 -4.106 -0.384 1.00 0.00 C ATOM 1356 OD1 ASP A 83 5.557 -3.305 -1.331 1.00 0.00 O ATOM 1357 OD2 ASP A 83 6.285 -4.300 0.489 1.00 0.00 O ATOM 0 H ASP A 83 2.829 -4.498 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 83 4.966 -6.306 -1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.275 -4.188 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.058 -5.375 0.681 1.00 0.00 H new ATOM 1362 N VAL A 84 1.808 -6.942 -1.003 1.00 0.00 N ATOM 1363 CA VAL A 84 0.884 -7.983 -0.570 1.00 0.00 C ATOM 1364 C VAL A 84 0.973 -9.207 -1.475 1.00 0.00 C ATOM 1365 O VAL A 84 1.306 -10.302 -1.023 1.00 0.00 O ATOM 1366 CB VAL A 84 -0.570 -7.473 -0.557 1.00 0.00 C ATOM 1367 CG1 VAL A 84 -1.523 -8.588 -0.154 1.00 0.00 C ATOM 1368 CG2 VAL A 84 -0.706 -6.279 0.376 1.00 0.00 C ATOM 0 H VAL A 84 1.357 -6.106 -1.376 1.00 0.00 H new ATOM 0 HA VAL A 84 1.173 -8.261 0.443 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.834 -7.150 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.545 -8.209 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.443 -9.410 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.265 -8.945 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.739 -5.931 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.425 -6.573 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.052 -5.476 0.037 1.00 0.00 H new ATOM 1378 N MET A 85 0.673 -9.013 -2.755 1.00 0.00 N ATOM 1379 CA MET A 85 0.721 -10.102 -3.724 1.00 0.00 C ATOM 1380 C MET A 85 2.058 -10.834 -3.653 1.00 0.00 C ATOM 1381 O MET A 85 2.149 -12.016 -3.990 1.00 0.00 O ATOM 1382 CB MET A 85 0.495 -9.565 -5.138 1.00 0.00 C ATOM 1383 CG MET A 85 -0.795 -8.775 -5.289 1.00 0.00 C ATOM 1384 SD MET A 85 -2.261 -9.769 -4.954 1.00 0.00 S ATOM 1385 CE MET A 85 -2.529 -9.402 -3.221 1.00 0.00 C ATOM 0 H MET A 85 0.394 -8.113 -3.145 1.00 0.00 H new ATOM 0 HA MET A 85 -0.073 -10.808 -3.480 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.336 -8.929 -5.415 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.484 -10.401 -5.838 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.776 -7.922 -4.610 1.00 0.00 H new ATOM 0 HG3 MET A 85 -0.855 -8.375 -6.301 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.581 -9.168 -3.057 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.252 -10.267 -2.619 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.918 -8.547 -2.931 1.00 0.00 H new ATOM 1395 N LEU A 86 3.092 -10.126 -3.214 1.00 0.00 N ATOM 1396 CA LEU A 86 4.425 -10.709 -3.099 1.00 0.00 C ATOM 1397 C LEU A 86 4.506 -11.650 -1.901 1.00 0.00 C ATOM 1398 O LEU A 86 4.984 -12.779 -2.016 1.00 0.00 O ATOM 1399 CB LEU A 86 5.476 -9.606 -2.968 1.00 0.00 C ATOM 1400 CG LEU A 86 6.933 -10.069 -2.923 1.00 0.00 C ATOM 1401 CD1 LEU A 86 7.347 -10.656 -4.263 1.00 0.00 C ATOM 1402 CD2 LEU A 86 7.847 -8.915 -2.539 1.00 0.00 C ATOM 0 H LEU A 86 3.034 -9.148 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 86 4.622 -11.284 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.360 -8.919 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.268 -9.039 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 86 7.025 -10.847 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.386 -10.980 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.712 -11.510 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.240 -9.899 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.880 -9.262 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.752 -8.116 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.565 -8.539 -1.556 1.00 0.00 H new ATOM 1414 N LEU A 87 4.036 -11.178 -0.752 1.00 0.00 N ATOM 1415 CA LEU A 87 4.053 -11.977 0.468 1.00 0.00 C ATOM 1416 C LEU A 87 3.384 -13.329 0.243 1.00 0.00 C ATOM 1417 O LEU A 87 3.693 -14.307 0.925 1.00 0.00 O ATOM 1418 CB LEU A 87 3.349 -11.229 1.602 1.00 0.00 C ATOM 1419 CG LEU A 87 3.019 -12.053 2.847 1.00 0.00 C ATOM 1420 CD1 LEU A 87 3.018 -11.171 4.086 1.00 0.00 C ATOM 1421 CD2 LEU A 87 1.677 -12.751 2.685 1.00 0.00 C ATOM 0 H LEU A 87 3.638 -10.246 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 87 5.093 -12.149 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.977 -10.390 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.422 -10.809 1.212 1.00 0.00 H new ATOM 0 HG LEU A 87 3.789 -12.815 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.781 -11.775 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.002 -10.719 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.270 -10.386 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.459 -13.333 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.895 -12.006 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.714 -13.415 1.821 1.00 0.00 H new ATOM 1433 N CYS A 88 2.468 -13.377 -0.718 1.00 0.00 N ATOM 1434 CA CYS A 88 1.756 -14.610 -1.034 1.00 0.00 C ATOM 1435 C CYS A 88 2.540 -15.449 -2.038 1.00 0.00 C ATOM 1436 O CYS A 88 2.551 -16.678 -1.962 1.00 0.00 O ATOM 1437 CB CYS A 88 0.367 -14.293 -1.592 1.00 0.00 C ATOM 1438 SG CYS A 88 -0.682 -13.346 -0.464 1.00 0.00 S ATOM 0 H CYS A 88 2.201 -12.577 -1.291 1.00 0.00 H new ATOM 0 HA CYS A 88 1.648 -15.184 -0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.479 -13.735 -2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -0.135 -15.228 -1.840 1.00 0.00 H new ATOM 0 HG CYS A 88 -1.834 -13.125 -1.025 1.00 0.00 H new ATOM 1444 N HIS A 89 3.196 -14.777 -2.979 1.00 0.00 N ATOM 1445 CA HIS A 89 3.983 -15.461 -3.999 1.00 0.00 C ATOM 1446 C HIS A 89 5.227 -16.098 -3.388 1.00 0.00 C ATOM 1447 O HIS A 89 5.482 -17.287 -3.574 1.00 0.00 O ATOM 1448 CB HIS A 89 4.386 -14.483 -5.103 1.00 0.00 C ATOM 1449 CG HIS A 89 5.281 -15.087 -6.141 1.00 0.00 C ATOM 1450 ND1 HIS A 89 6.433 -15.786 -6.017 1.00 0.00 N flip ATOM 1451 CD2 HIS A 89 5.030 -15.002 -7.494 1.00 0.00 C flip ATOM 1452 CE1 HIS A 89 6.852 -16.109 -7.284 1.00 0.00 C flip ATOM 1453 NE2 HIS A 89 5.987 -15.624 -8.157 1.00 0.00 N flip ATOM 0 H HIS A 89 3.198 -13.760 -3.056 1.00 0.00 H new ATOM 0 HA HIS A 89 3.367 -16.250 -4.430 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.486 -14.104 -5.587 1.00 0.00 H new ATOM 0 HB3 HIS A 89 4.891 -13.628 -4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.183 -14.504 -7.942 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.743 -16.668 -7.527 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.048 -15.715 -9.171 1.00 0.00 H new ATOM 1462 N ASN A 90 5.999 -15.297 -2.660 1.00 0.00 N ATOM 1463 CA ASN A 90 7.218 -15.783 -2.024 1.00 0.00 C ATOM 1464 C ASN A 90 6.941 -17.040 -1.205 1.00 0.00 C ATOM 1465 O ASN A 90 7.791 -17.923 -1.097 1.00 0.00 O ATOM 1466 CB ASN A 90 7.817 -14.698 -1.126 1.00 0.00 C ATOM 1467 CG ASN A 90 8.650 -13.698 -1.904 1.00 0.00 C ATOM 1468 OD1 ASN A 90 9.146 -13.999 -2.990 1.00 0.00 O ATOM 1469 ND2 ASN A 90 8.809 -12.502 -1.350 1.00 0.00 N ATOM 0 H ASN A 90 5.802 -14.310 -2.496 1.00 0.00 H new ATOM 0 HA ASN A 90 7.933 -16.032 -2.809 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.013 -14.173 -0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.436 -15.165 -0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.361 -11.789 -1.826 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.379 -12.297 -0.448 1.00 0.00 H new ATOM 1476 N ALA A 91 5.744 -17.114 -0.632 1.00 0.00 N ATOM 1477 CA ALA A 91 5.353 -18.263 0.175 1.00 0.00 C ATOM 1478 C ALA A 91 5.157 -19.502 -0.693 1.00 0.00 C ATOM 1479 O ALA A 91 5.485 -20.615 -0.284 1.00 0.00 O ATOM 1480 CB ALA A 91 4.082 -17.955 0.952 1.00 0.00 C ATOM 0 H ALA A 91 5.028 -16.392 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 91 6.157 -18.469 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.802 -18.822 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.254 -17.102 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.278 -17.720 0.255 1.00 0.00 H new ATOM 1486 N GLN A 92 4.621 -19.299 -1.892 1.00 0.00 N ATOM 1487 CA GLN A 92 4.380 -20.401 -2.817 1.00 0.00 C ATOM 1488 C GLN A 92 5.694 -20.941 -3.373 1.00 0.00 C ATOM 1489 O GLN A 92 5.759 -22.074 -3.851 1.00 0.00 O ATOM 1490 CB GLN A 92 3.477 -19.944 -3.964 1.00 0.00 C ATOM 1491 CG GLN A 92 2.083 -19.537 -3.514 1.00 0.00 C ATOM 1492 CD GLN A 92 1.202 -19.099 -4.668 1.00 0.00 C ATOM 1493 OE1 GLN A 92 0.004 -19.665 -4.747 1.00 0.00 O flip ATOM 1494 NE2 GLN A 92 1.595 -18.260 -5.480 1.00 0.00 N flip ATOM 0 H GLN A 92 4.345 -18.383 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 92 3.882 -21.201 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.947 -19.102 -4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.394 -20.750 -4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.612 -20.375 -3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.161 -18.724 -2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.524 -17.850 -5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.991 -17.975 -6.251 1.00 0.00 H new ATOM 1503 N THR A 93 6.739 -20.123 -3.309 1.00 0.00 N ATOM 1504 CA THR A 93 8.051 -20.517 -3.808 1.00 0.00 C ATOM 1505 C THR A 93 8.719 -21.515 -2.868 1.00 0.00 C ATOM 1506 O THR A 93 9.451 -22.402 -3.307 1.00 0.00 O ATOM 1507 CB THR A 93 8.975 -19.298 -3.984 1.00 0.00 C ATOM 1508 OG1 THR A 93 8.389 -18.367 -4.901 1.00 0.00 O ATOM 1509 CG2 THR A 93 10.343 -19.725 -4.493 1.00 0.00 C ATOM 0 H THR A 93 6.703 -19.182 -2.916 1.00 0.00 H new ATOM 0 HA THR A 93 7.892 -20.986 -4.779 1.00 0.00 H new ATOM 0 HB THR A 93 9.099 -18.821 -3.012 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.982 -17.594 -5.006 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.978 -18.847 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.799 -20.411 -3.779 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.233 -20.224 -5.456 1.00 0.00 H new ATOM 1517 N PHE A 94 8.461 -21.365 -1.573 1.00 0.00 N ATOM 1518 CA PHE A 94 9.038 -22.254 -0.571 1.00 0.00 C ATOM 1519 C PHE A 94 8.075 -23.388 -0.231 1.00 0.00 C ATOM 1520 O PHE A 94 8.406 -24.563 -0.382 1.00 0.00 O ATOM 1521 CB PHE A 94 9.388 -21.470 0.695 1.00 0.00 C ATOM 1522 CG PHE A 94 10.556 -22.038 1.449 1.00 0.00 C ATOM 1523 CD1 PHE A 94 11.723 -22.383 0.786 1.00 0.00 C ATOM 1524 CD2 PHE A 94 10.488 -22.229 2.819 1.00 0.00 C ATOM 1525 CE1 PHE A 94 12.801 -22.905 1.476 1.00 0.00 C ATOM 1526 CE2 PHE A 94 11.562 -22.751 3.515 1.00 0.00 C ATOM 1527 CZ PHE A 94 12.719 -23.091 2.842 1.00 0.00 C ATOM 0 H PHE A 94 7.856 -20.637 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 94 9.949 -22.686 -0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.608 -20.438 0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.518 -21.448 1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.791 -22.242 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.585 -21.967 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 94 13.706 -23.167 0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.496 -22.893 4.584 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.559 -23.502 3.383 1.00 0.00 H new ATOM 1537 N ASN A 95 6.882 -23.026 0.229 1.00 0.00 N ATOM 1538 CA ASN A 95 5.871 -24.012 0.591 1.00 0.00 C ATOM 1539 C ASN A 95 5.633 -24.993 -0.553 1.00 0.00 C ATOM 1540 O ASN A 95 6.154 -24.817 -1.655 1.00 0.00 O ATOM 1541 CB ASN A 95 4.560 -23.316 0.963 1.00 0.00 C ATOM 1542 CG ASN A 95 4.621 -22.657 2.327 1.00 0.00 C ATOM 1543 OD1 ASN A 95 4.373 -23.296 3.349 1.00 0.00 O ATOM 1544 ND2 ASN A 95 4.953 -21.372 2.348 1.00 0.00 N ATOM 0 H ASN A 95 6.592 -22.057 0.360 1.00 0.00 H new ATOM 0 HA ASN A 95 6.236 -24.570 1.454 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.325 -22.564 0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.749 -24.044 0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.011 -20.875 3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.150 -20.882 1.475 1.00 0.00 H new ATOM 1551 N LEU A 96 4.843 -26.026 -0.284 1.00 0.00 N ATOM 1552 CA LEU A 96 4.534 -27.036 -1.290 1.00 0.00 C ATOM 1553 C LEU A 96 3.230 -26.707 -2.010 1.00 0.00 C ATOM 1554 O LEU A 96 2.532 -25.761 -1.648 1.00 0.00 O ATOM 1555 CB LEU A 96 4.437 -28.418 -0.642 1.00 0.00 C ATOM 1556 CG LEU A 96 5.753 -29.180 -0.485 1.00 0.00 C ATOM 1557 CD1 LEU A 96 6.610 -28.548 0.601 1.00 0.00 C ATOM 1558 CD2 LEU A 96 5.488 -30.645 -0.172 1.00 0.00 C ATOM 0 H LEU A 96 4.404 -26.186 0.623 1.00 0.00 H new ATOM 0 HA LEU A 96 5.341 -27.041 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.987 -28.304 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.756 -29.028 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 96 6.297 -29.123 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.542 -29.104 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.830 -27.514 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.072 -28.572 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.436 -31.171 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.922 -30.722 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.915 -31.093 -0.984 1.00 0.00 H new ATOM 1570 N GLU A 97 2.908 -27.495 -3.031 1.00 0.00 N ATOM 1571 CA GLU A 97 1.687 -27.288 -3.800 1.00 0.00 C ATOM 1572 C GLU A 97 0.505 -28.000 -3.148 1.00 0.00 C ATOM 1573 O GLU A 97 0.684 -28.876 -2.303 1.00 0.00 O ATOM 1574 CB GLU A 97 1.870 -27.788 -5.234 1.00 0.00 C ATOM 1575 CG GLU A 97 2.760 -26.894 -6.082 1.00 0.00 C ATOM 1576 CD GLU A 97 4.222 -27.291 -6.011 1.00 0.00 C ATOM 1577 OE1 GLU A 97 4.556 -28.410 -6.453 1.00 0.00 O ATOM 1578 OE2 GLU A 97 5.032 -26.481 -5.513 1.00 0.00 O ATOM 0 H GLU A 97 3.476 -28.282 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 97 1.478 -26.218 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.296 -28.791 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.892 -27.869 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.426 -26.934 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.651 -25.861 -5.752 1.00 0.00 H new ATOM 1585 N GLY A 98 -0.704 -27.616 -3.548 1.00 0.00 N ATOM 1586 CA GLY A 98 -1.897 -28.227 -2.992 1.00 0.00 C ATOM 1587 C GLY A 98 -1.747 -28.559 -1.521 1.00 0.00 C ATOM 1588 O GLY A 98 -2.363 -29.502 -1.025 1.00 0.00 O ATOM 0 H GLY A 98 -0.878 -26.893 -4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.743 -27.552 -3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.126 -29.138 -3.545 1.00 0.00 H new ATOM 1592 N SER A 99 -0.926 -27.783 -0.821 1.00 0.00 N ATOM 1593 CA SER A 99 -0.692 -28.003 0.601 1.00 0.00 C ATOM 1594 C SER A 99 -1.655 -27.173 1.444 1.00 0.00 C ATOM 1595 O SER A 99 -2.420 -26.366 0.917 1.00 0.00 O ATOM 1596 CB SER A 99 0.752 -27.654 0.963 1.00 0.00 C ATOM 1597 OG SER A 99 1.183 -28.381 2.100 1.00 0.00 O ATOM 0 H SER A 99 -0.411 -26.996 -1.216 1.00 0.00 H new ATOM 0 HA SER A 99 -0.866 -29.058 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.405 -27.873 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.833 -26.585 1.159 1.00 0.00 H new ATOM 0 HG SER A 99 2.110 -28.141 2.310 1.00 0.00 H new ATOM 1603 N GLN A 100 -1.610 -27.377 2.757 1.00 0.00 N ATOM 1604 CA GLN A 100 -2.478 -26.648 3.673 1.00 0.00 C ATOM 1605 C GLN A 100 -2.215 -25.148 3.595 1.00 0.00 C ATOM 1606 O GLN A 100 -3.133 -24.358 3.370 1.00 0.00 O ATOM 1607 CB GLN A 100 -2.270 -27.140 5.107 1.00 0.00 C ATOM 1608 CG GLN A 100 -3.168 -26.453 6.122 1.00 0.00 C ATOM 1609 CD GLN A 100 -4.552 -27.070 6.189 1.00 0.00 C ATOM 1610 OE1 GLN A 100 -4.717 -28.274 5.993 1.00 0.00 O ATOM 1611 NE2 GLN A 100 -5.555 -26.246 6.467 1.00 0.00 N ATOM 0 H GLN A 100 -0.982 -28.041 3.209 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.511 -26.833 3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -2.450 -28.214 5.143 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.229 -26.982 5.389 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.703 -26.505 7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.257 -25.397 5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.372 -25.255 6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.508 -26.604 6.525 1.00 0.00 H new ATOM 1620 N ILE A 101 -0.958 -24.762 3.781 1.00 0.00 N ATOM 1621 CA ILE A 101 -0.575 -23.356 3.731 1.00 0.00 C ATOM 1622 C ILE A 101 -0.709 -22.801 2.317 1.00 0.00 C ATOM 1623 O ILE A 101 -1.261 -21.719 2.113 1.00 0.00 O ATOM 1624 CB ILE A 101 0.872 -23.149 4.217 1.00 0.00 C ATOM 1625 CG1 ILE A 101 0.948 -23.297 5.738 1.00 0.00 C ATOM 1626 CG2 ILE A 101 1.385 -21.783 3.786 1.00 0.00 C ATOM 1627 CD1 ILE A 101 2.359 -23.244 6.280 1.00 0.00 C ATOM 0 H ILE A 101 -0.187 -25.403 3.968 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.253 -22.820 4.395 1.00 0.00 H new ATOM 0 HB ILE A 101 1.505 -23.912 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.359 -22.506 6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.492 -24.244 6.026 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.409 -21.651 4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.362 -21.712 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.752 -21.005 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.337 -23.355 7.364 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.947 -24.052 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.812 -22.286 6.023 1.00 0.00 H new ATOM 1639 N TYR A 102 -0.201 -23.548 1.343 1.00 0.00 N ATOM 1640 CA TYR A 102 -0.264 -23.131 -0.052 1.00 0.00 C ATOM 1641 C TYR A 102 -1.627 -22.530 -0.381 1.00 0.00 C ATOM 1642 O TYR A 102 -1.720 -21.398 -0.854 1.00 0.00 O ATOM 1643 CB TYR A 102 0.019 -24.318 -0.975 1.00 0.00 C ATOM 1644 CG TYR A 102 0.415 -23.914 -2.377 1.00 0.00 C ATOM 1645 CD1 TYR A 102 1.712 -23.507 -2.664 1.00 0.00 C ATOM 1646 CD2 TYR A 102 -0.508 -23.941 -3.416 1.00 0.00 C ATOM 1647 CE1 TYR A 102 2.078 -23.137 -3.943 1.00 0.00 C ATOM 1648 CE2 TYR A 102 -0.150 -23.574 -4.699 1.00 0.00 C ATOM 1649 CZ TYR A 102 1.144 -23.172 -4.957 1.00 0.00 C ATOM 1650 OH TYR A 102 1.505 -22.805 -6.233 1.00 0.00 O ATOM 0 H TYR A 102 0.259 -24.446 1.494 1.00 0.00 H new ATOM 0 HA TYR A 102 0.497 -22.367 -0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.816 -24.923 -0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.869 -24.949 -1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.447 -23.480 -1.873 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.522 -24.254 -3.217 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.090 -22.822 -4.148 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.879 -23.602 -5.495 1.00 0.00 H new ATOM 0 HH TYR A 102 0.731 -22.887 -6.828 1.00 0.00 H new ATOM 1660 N GLU A 103 -2.682 -23.297 -0.125 1.00 0.00 N ATOM 1661 CA GLU A 103 -4.041 -22.841 -0.394 1.00 0.00 C ATOM 1662 C GLU A 103 -4.292 -21.477 0.242 1.00 0.00 C ATOM 1663 O GLU A 103 -4.958 -20.621 -0.342 1.00 0.00 O ATOM 1664 CB GLU A 103 -5.057 -23.857 0.132 1.00 0.00 C ATOM 1665 CG GLU A 103 -5.047 -25.175 -0.623 1.00 0.00 C ATOM 1666 CD GLU A 103 -5.601 -26.323 0.199 1.00 0.00 C ATOM 1667 OE1 GLU A 103 -6.743 -26.203 0.689 1.00 0.00 O ATOM 1668 OE2 GLU A 103 -4.892 -27.340 0.352 1.00 0.00 O ATOM 0 H GLU A 103 -2.622 -24.236 0.268 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.159 -22.747 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.853 -24.050 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.055 -23.423 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.633 -25.071 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.026 -25.409 -0.925 1.00 0.00 H new ATOM 1675 N ASP A 104 -3.755 -21.282 1.441 1.00 0.00 N ATOM 1676 CA ASP A 104 -3.921 -20.023 2.158 1.00 0.00 C ATOM 1677 C ASP A 104 -3.453 -18.847 1.305 1.00 0.00 C ATOM 1678 O ASP A 104 -4.228 -17.941 1.000 1.00 0.00 O ATOM 1679 CB ASP A 104 -3.144 -20.055 3.475 1.00 0.00 C ATOM 1680 CG ASP A 104 -3.443 -21.295 4.293 1.00 0.00 C ATOM 1681 OD1 ASP A 104 -4.315 -22.086 3.876 1.00 0.00 O ATOM 1682 OD2 ASP A 104 -2.804 -21.476 5.350 1.00 0.00 O ATOM 0 H ASP A 104 -3.201 -21.980 1.937 1.00 0.00 H new ATOM 0 HA ASP A 104 -4.981 -19.893 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.075 -20.011 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -3.390 -19.169 4.060 1.00 0.00 H new ATOM 1687 N SER A 105 -2.179 -18.869 0.925 1.00 0.00 N ATOM 1688 CA SER A 105 -1.606 -17.802 0.112 1.00 0.00 C ATOM 1689 C SER A 105 -2.541 -17.432 -1.035 1.00 0.00 C ATOM 1690 O SER A 105 -2.742 -16.253 -1.330 1.00 0.00 O ATOM 1691 CB SER A 105 -0.246 -18.230 -0.442 1.00 0.00 C ATOM 1692 OG SER A 105 -0.390 -19.236 -1.429 1.00 0.00 O ATOM 0 H SER A 105 -1.525 -19.613 1.167 1.00 0.00 H new ATOM 0 HA SER A 105 -1.473 -16.926 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.264 -17.367 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.381 -18.600 0.370 1.00 0.00 H new ATOM 0 HG SER A 105 -0.783 -20.038 -1.024 1.00 0.00 H new ATOM 1698 N ILE A 106 -3.110 -18.446 -1.678 1.00 0.00 N ATOM 1699 CA ILE A 106 -4.024 -18.227 -2.792 1.00 0.00 C ATOM 1700 C ILE A 106 -5.262 -17.457 -2.344 1.00 0.00 C ATOM 1701 O ILE A 106 -5.642 -16.460 -2.958 1.00 0.00 O ATOM 1702 CB ILE A 106 -4.464 -19.559 -3.428 1.00 0.00 C ATOM 1703 CG1 ILE A 106 -3.327 -20.151 -4.263 1.00 0.00 C ATOM 1704 CG2 ILE A 106 -5.705 -19.352 -4.284 1.00 0.00 C ATOM 1705 CD1 ILE A 106 -2.399 -21.045 -3.471 1.00 0.00 C ATOM 0 H ILE A 106 -2.954 -19.427 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.483 -17.640 -3.534 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.708 -20.262 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.752 -20.722 -5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.748 -19.338 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.004 -20.302 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -6.515 -18.970 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.486 -18.636 -5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.617 -21.429 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.945 -20.473 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.965 -21.878 -3.054 1.00 0.00 H new ATOM 1717 N VAL A 107 -5.886 -17.925 -1.268 1.00 0.00 N ATOM 1718 CA VAL A 107 -7.080 -17.279 -0.735 1.00 0.00 C ATOM 1719 C VAL A 107 -6.796 -15.830 -0.353 1.00 0.00 C ATOM 1720 O VAL A 107 -7.509 -14.916 -0.770 1.00 0.00 O ATOM 1721 CB VAL A 107 -7.619 -18.027 0.499 1.00 0.00 C ATOM 1722 CG1 VAL A 107 -8.804 -17.284 1.097 1.00 0.00 C ATOM 1723 CG2 VAL A 107 -8.003 -19.452 0.131 1.00 0.00 C ATOM 0 H VAL A 107 -5.585 -18.749 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.832 -17.304 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.831 -18.070 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -9.172 -17.827 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.492 -16.284 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.598 -17.208 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.382 -19.966 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.776 -19.434 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.127 -19.979 -0.248 1.00 0.00 H new ATOM 1733 N LEU A 108 -5.751 -15.627 0.440 1.00 0.00 N ATOM 1734 CA LEU A 108 -5.371 -14.288 0.878 1.00 0.00 C ATOM 1735 C LEU A 108 -5.620 -13.264 -0.224 1.00 0.00 C ATOM 1736 O LEU A 108 -6.363 -12.302 -0.033 1.00 0.00 O ATOM 1737 CB LEU A 108 -3.898 -14.263 1.290 1.00 0.00 C ATOM 1738 CG LEU A 108 -3.545 -15.028 2.567 1.00 0.00 C ATOM 1739 CD1 LEU A 108 -2.070 -15.396 2.577 1.00 0.00 C ATOM 1740 CD2 LEU A 108 -3.901 -14.206 3.797 1.00 0.00 C ATOM 0 H LEU A 108 -5.151 -16.372 0.793 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.987 -14.026 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.305 -14.670 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.595 -13.224 1.417 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.128 -15.949 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.837 -15.940 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.846 -16.024 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.468 -14.488 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.643 -14.766 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.345 -13.268 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.970 -13.994 3.796 1.00 0.00 H new ATOM 1752 N GLN A 109 -4.996 -13.479 -1.377 1.00 0.00 N ATOM 1753 CA GLN A 109 -5.151 -12.575 -2.510 1.00 0.00 C ATOM 1754 C GLN A 109 -6.618 -12.218 -2.724 1.00 0.00 C ATOM 1755 O GLN A 109 -6.996 -11.047 -2.674 1.00 0.00 O ATOM 1756 CB GLN A 109 -4.579 -13.210 -3.779 1.00 0.00 C ATOM 1757 CG GLN A 109 -3.061 -13.165 -3.850 1.00 0.00 C ATOM 1758 CD GLN A 109 -2.515 -13.832 -5.096 1.00 0.00 C ATOM 1759 OE1 GLN A 109 -2.048 -13.163 -6.019 1.00 0.00 O ATOM 1760 NE2 GLN A 109 -2.569 -15.158 -5.131 1.00 0.00 N ATOM 0 H GLN A 109 -4.378 -14.272 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.601 -11.660 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -4.907 -14.248 -3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.991 -12.698 -4.649 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.731 -12.127 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.645 -13.654 -2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.964 -15.673 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.215 -15.662 -5.945 1.00 0.00 H new ATOM 1769 N SER A 110 -7.441 -13.234 -2.963 1.00 0.00 N ATOM 1770 CA SER A 110 -8.867 -13.027 -3.188 1.00 0.00 C ATOM 1771 C SER A 110 -9.466 -12.140 -2.101 1.00 0.00 C ATOM 1772 O SER A 110 -10.454 -11.441 -2.327 1.00 0.00 O ATOM 1773 CB SER A 110 -9.599 -14.369 -3.228 1.00 0.00 C ATOM 1774 OG SER A 110 -11.002 -14.183 -3.294 1.00 0.00 O ATOM 0 H SER A 110 -7.145 -14.209 -3.006 1.00 0.00 H new ATOM 0 HA SER A 110 -8.989 -12.526 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.264 -14.944 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.347 -14.951 -2.341 1.00 0.00 H new ATOM 0 HG SER A 110 -11.447 -15.056 -3.320 1.00 0.00 H new ATOM 1780 N VAL A 111 -8.860 -12.174 -0.918 1.00 0.00 N ATOM 1781 CA VAL A 111 -9.331 -11.374 0.206 1.00 0.00 C ATOM 1782 C VAL A 111 -8.852 -9.931 0.092 1.00 0.00 C ATOM 1783 O VAL A 111 -9.558 -8.999 0.478 1.00 0.00 O ATOM 1784 CB VAL A 111 -8.855 -11.957 1.549 1.00 0.00 C ATOM 1785 CG1 VAL A 111 -9.563 -11.274 2.709 1.00 0.00 C ATOM 1786 CG2 VAL A 111 -9.080 -13.461 1.587 1.00 0.00 C ATOM 0 H VAL A 111 -8.042 -12.747 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.420 -11.396 0.175 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.786 -11.770 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.214 -11.699 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.345 -10.206 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.639 -11.426 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.738 -13.856 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.142 -13.673 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.521 -13.933 0.779 1.00 0.00 H new ATOM 1796 N PHE A 112 -7.648 -9.753 -0.442 1.00 0.00 N ATOM 1797 CA PHE A 112 -7.074 -8.423 -0.607 1.00 0.00 C ATOM 1798 C PHE A 112 -7.898 -7.592 -1.585 1.00 0.00 C ATOM 1799 O PHE A 112 -8.276 -6.458 -1.290 1.00 0.00 O ATOM 1800 CB PHE A 112 -5.629 -8.526 -1.099 1.00 0.00 C ATOM 1801 CG PHE A 112 -5.047 -7.210 -1.531 1.00 0.00 C ATOM 1802 CD1 PHE A 112 -5.209 -6.759 -2.831 1.00 0.00 C ATOM 1803 CD2 PHE A 112 -4.338 -6.424 -0.636 1.00 0.00 C ATOM 1804 CE1 PHE A 112 -4.676 -5.548 -3.231 1.00 0.00 C ATOM 1805 CE2 PHE A 112 -3.803 -5.213 -1.030 1.00 0.00 C ATOM 1806 CZ PHE A 112 -3.971 -4.775 -2.330 1.00 0.00 C ATOM 0 H PHE A 112 -7.051 -10.513 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.086 -7.927 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.012 -8.943 -0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.587 -9.224 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.758 -7.361 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -4.202 -6.762 0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.811 -5.207 -4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.254 -4.609 -0.323 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.551 -3.830 -2.641 1.00 0.00 H new ATOM 1816 N LYS A 113 -8.174 -8.164 -2.752 1.00 0.00 N ATOM 1817 CA LYS A 113 -8.954 -7.478 -3.776 1.00 0.00 C ATOM 1818 C LYS A 113 -10.330 -7.093 -3.244 1.00 0.00 C ATOM 1819 O LYS A 113 -10.693 -5.917 -3.226 1.00 0.00 O ATOM 1820 CB LYS A 113 -9.104 -8.367 -5.013 1.00 0.00 C ATOM 1821 CG LYS A 113 -7.881 -8.366 -5.914 1.00 0.00 C ATOM 1822 CD LYS A 113 -6.861 -9.402 -5.472 1.00 0.00 C ATOM 1823 CE LYS A 113 -5.901 -9.754 -6.598 1.00 0.00 C ATOM 1824 NZ LYS A 113 -4.986 -8.625 -6.920 1.00 0.00 N ATOM 0 H LYS A 113 -7.869 -9.102 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.423 -6.567 -4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.309 -9.389 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.968 -8.034 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.185 -8.568 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.423 -7.377 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.299 -9.021 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.377 -10.302 -5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.314 -10.628 -6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.469 -10.026 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.916 -8.519 -7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.359 -7.747 -6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.043 -8.820 -6.527 1.00 0.00 H new ATOM 1838 N SER A 114 -11.093 -8.092 -2.810 1.00 0.00 N ATOM 1839 CA SER A 114 -12.431 -7.857 -2.280 1.00 0.00 C ATOM 1840 C SER A 114 -12.420 -6.722 -1.260 1.00 0.00 C ATOM 1841 O SER A 114 -13.310 -5.872 -1.252 1.00 0.00 O ATOM 1842 CB SER A 114 -12.977 -9.132 -1.634 1.00 0.00 C ATOM 1843 OG SER A 114 -14.385 -9.067 -1.487 1.00 0.00 O ATOM 0 H SER A 114 -10.807 -9.071 -2.815 1.00 0.00 H new ATOM 0 HA SER A 114 -13.078 -7.571 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.712 -9.995 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.513 -9.277 -0.658 1.00 0.00 H new ATOM 0 HG SER A 114 -14.709 -9.894 -1.073 1.00 0.00 H new ATOM 1849 N ALA A 115 -11.405 -6.715 -0.403 1.00 0.00 N ATOM 1850 CA ALA A 115 -11.275 -5.684 0.620 1.00 0.00 C ATOM 1851 C ALA A 115 -11.425 -4.291 0.017 1.00 0.00 C ATOM 1852 O ALA A 115 -12.317 -3.533 0.397 1.00 0.00 O ATOM 1853 CB ALA A 115 -9.937 -5.812 1.331 1.00 0.00 C ATOM 0 H ALA A 115 -10.660 -7.412 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.075 -5.825 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.854 -5.036 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.868 -6.792 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.129 -5.700 0.608 1.00 0.00 H new ATOM 1859 N ARG A 116 -10.547 -3.961 -0.924 1.00 0.00 N ATOM 1860 CA ARG A 116 -10.581 -2.659 -1.578 1.00 0.00 C ATOM 1861 C ARG A 116 -12.018 -2.181 -1.764 1.00 0.00 C ATOM 1862 O ARG A 116 -12.389 -1.104 -1.298 1.00 0.00 O ATOM 1863 CB ARG A 116 -9.875 -2.726 -2.934 1.00 0.00 C ATOM 1864 CG ARG A 116 -8.389 -2.415 -2.863 1.00 0.00 C ATOM 1865 CD ARG A 116 -7.614 -3.150 -3.945 1.00 0.00 C ATOM 1866 NE ARG A 116 -7.682 -2.462 -5.231 1.00 0.00 N ATOM 1867 CZ ARG A 116 -6.869 -1.470 -5.578 1.00 0.00 C ATOM 1868 NH1 ARG A 116 -5.930 -1.054 -4.740 1.00 0.00 N ATOM 1869 NH2 ARG A 116 -6.994 -0.894 -6.767 1.00 0.00 N ATOM 0 H ARG A 116 -9.803 -4.578 -1.251 1.00 0.00 H new ATOM 0 HA ARG A 116 -10.059 -1.947 -0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -10.009 -3.722 -3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -10.352 -2.024 -3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -8.235 -1.341 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.004 -2.696 -1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.572 -3.248 -3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -8.011 -4.159 -4.053 1.00 0.00 H new ATOM 0 HE ARG A 116 -8.393 -2.759 -5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -5.830 -1.496 -3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -5.307 -0.292 -5.009 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -7.714 -1.213 -7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -6.370 -0.132 -7.033 1.00 0.00 H new