USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 HIS :FLIP no HD1:sc= -0.419 F(o=-1.6,f=-0.42) USER MOD Set 1.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 25:sc= 0.0554 USER MOD Single : A 13 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : A 16 TYR OH : rot -31:sc= 1.09 USER MOD Single : A 17 CYS SG : rot 44:sc= 0.858 USER MOD Single : A 19 SER OG : rot -78:sc= 0.948 USER MOD Single : A 24 MET CE :methyl -174:sc= 0 (180deg=-0.0291) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0399 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0131) USER MOD Single : A 50 TYR OH : rot 80:sc= -0.861 USER MOD Single : A 51 HIS : no HD1:sc=-0.00387 X(o=-0.0039,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.0943 (180deg=-0.542) USER MOD Single : A 56 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.034) USER MOD Single : A 58 MET CE :methyl 165:sc= -0.0337 (180deg=-0.33) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc=8.52e-05 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 67 MET CE :methyl -120:sc= -0.996 (180deg=-3.48) USER MOD Single : A 72 TYR OH : rot 39:sc= -0.0499 USER MOD Single : A 76 GLN : amide:sc= -4.43! C(o=-4.4!,f=-6.3!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -9.85! C(o=-9.9!,f=-13!) USER MOD Single : A 89 CYS SG : rot -46:sc= 0.38 USER MOD Single : A 90 TYR OH : rot -152:sc= -2.93 USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= -0.0667 (180deg=-0.387) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.343 F(o=-1.3,f=-0.34) USER MOD Single : A 97 HIS : no HD1:sc= -0.785 K(o=-0.79,f=-4.7!) USER MOD Single : A 102 MET CE :methyl -115:sc= -3.07! (180deg=-6.22!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.9!) USER MOD Single : A 112 MET CE :methyl 163:sc= -0.0627 (180deg=-0.605) USER MOD Single : A 116 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.82) USER MOD Single : A 117 MET CE :methyl 176:sc= -0.759 (180deg=-0.851) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.359 18.406 5.514 1.00 0.00 N ATOM 115 CA SER A 11 -5.360 19.190 4.800 1.00 0.00 C ATOM 116 C SER A 11 -6.769 18.724 5.155 1.00 0.00 C ATOM 117 O SER A 11 -6.948 17.828 5.980 1.00 0.00 O ATOM 118 CB SER A 11 -5.141 19.082 3.290 1.00 0.00 C ATOM 119 OG SER A 11 -3.855 19.555 2.926 1.00 0.00 O ATOM 0 HA SER A 11 -5.253 20.232 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.252 18.044 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.905 19.657 2.766 1.00 0.00 H new ATOM 0 HG SER A 11 -3.250 19.481 3.693 1.00 0.00 H new ATOM 125 N GLU A 12 -7.765 19.339 4.526 1.00 0.00 N ATOM 126 CA GLU A 12 -9.158 18.988 4.776 1.00 0.00 C ATOM 127 C GLU A 12 -9.455 17.567 4.304 1.00 0.00 C ATOM 128 O GLU A 12 -10.285 16.868 4.886 1.00 0.00 O ATOM 129 CB GLU A 12 -10.091 19.976 4.072 1.00 0.00 C ATOM 130 CG GLU A 12 -11.550 19.555 4.092 1.00 0.00 C ATOM 131 CD GLU A 12 -12.436 20.484 3.284 1.00 0.00 C ATOM 132 OE1 GLU A 12 -12.333 21.714 3.473 1.00 0.00 O ATOM 133 OE2 GLU A 12 -13.232 19.981 2.464 1.00 0.00 O ATOM 0 H GLU A 12 -7.634 20.082 3.840 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.331 19.039 5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.997 20.953 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.769 20.092 3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.638 18.542 3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.903 19.528 5.123 1.00 0.00 H new ATOM 140 N HIS A 13 -8.770 17.147 3.245 1.00 0.00 N ATOM 141 CA HIS A 13 -8.959 15.810 2.693 1.00 0.00 C ATOM 142 C HIS A 13 -8.067 14.798 3.405 1.00 0.00 C ATOM 143 O HIS A 13 -8.535 13.754 3.861 1.00 0.00 O ATOM 144 CB HIS A 13 -8.660 15.807 1.194 1.00 0.00 C ATOM 145 CG HIS A 13 -9.663 16.566 0.381 1.00 0.00 C ATOM 146 ND1 HIS A 13 -9.361 17.152 -0.830 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.970 16.831 0.611 1.00 0.00 C ATOM 148 CE1 HIS A 13 -10.439 17.746 -1.309 1.00 0.00 C ATOM 149 NE2 HIS A 13 -11.429 17.566 -0.454 1.00 0.00 N ATOM 0 H HIS A 13 -8.079 17.713 2.752 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.999 15.523 2.848 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.671 16.235 1.028 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.624 14.776 0.841 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.545 16.522 1.472 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.500 18.287 -2.242 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -12.380 17.916 -0.566 1.00 0.00 H new ATOM 157 N LEU A 14 -6.779 15.113 3.496 1.00 0.00 N ATOM 158 CA LEU A 14 -5.821 14.230 4.152 1.00 0.00 C ATOM 159 C LEU A 14 -6.355 13.749 5.497 1.00 0.00 C ATOM 160 O LEU A 14 -6.509 12.548 5.721 1.00 0.00 O ATOM 161 CB LEU A 14 -4.486 14.951 4.348 1.00 0.00 C ATOM 162 CG LEU A 14 -3.286 14.063 4.679 1.00 0.00 C ATOM 163 CD1 LEU A 14 -3.080 13.018 3.594 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.031 14.906 4.854 1.00 0.00 C ATOM 0 H LEU A 14 -6.375 15.972 3.124 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.668 13.361 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.260 15.509 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.604 15.681 5.149 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.488 13.548 5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.222 12.395 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.970 12.394 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.900 13.514 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.187 14.258 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.826 15.449 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.180 15.616 5.667 1.00 0.00 H new ATOM 176 N ARG A 15 -6.636 14.694 6.388 1.00 0.00 N ATOM 177 CA ARG A 15 -7.154 14.367 7.711 1.00 0.00 C ATOM 178 C ARG A 15 -8.089 13.162 7.646 1.00 0.00 C ATOM 179 O ARG A 15 -8.012 12.258 8.478 1.00 0.00 O ATOM 180 CB ARG A 15 -7.893 15.568 8.304 1.00 0.00 C ATOM 181 CG ARG A 15 -9.165 15.930 7.556 1.00 0.00 C ATOM 182 CD ARG A 15 -9.864 17.122 8.191 1.00 0.00 C ATOM 183 NE ARG A 15 -11.261 17.223 7.776 1.00 0.00 N ATOM 184 CZ ARG A 15 -12.188 17.876 8.467 1.00 0.00 C ATOM 185 NH1 ARG A 15 -11.868 18.484 9.601 1.00 0.00 N ATOM 186 NH2 ARG A 15 -13.438 17.923 8.024 1.00 0.00 N ATOM 0 H ARG A 15 -6.514 15.692 6.218 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.309 14.116 8.353 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.141 15.354 9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.225 16.430 8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.925 16.158 6.517 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.839 15.074 7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.814 17.036 9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.338 18.037 7.919 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.540 16.767 6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.908 18.451 9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.582 18.985 10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.688 17.457 7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.149 18.425 8.556 1.00 0.00 H new ATOM 200 N TYR A 16 -8.971 13.158 6.653 1.00 0.00 N ATOM 201 CA TYR A 16 -9.923 12.066 6.481 1.00 0.00 C ATOM 202 C TYR A 16 -9.224 10.808 5.975 1.00 0.00 C ATOM 203 O TYR A 16 -9.494 9.703 6.446 1.00 0.00 O ATOM 204 CB TYR A 16 -11.029 12.475 5.507 1.00 0.00 C ATOM 205 CG TYR A 16 -11.865 11.314 5.018 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.349 10.392 4.117 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.171 11.139 5.460 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.110 9.330 3.667 1.00 0.00 C ATOM 209 CE2 TYR A 16 -13.939 10.079 5.016 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.404 9.178 4.120 1.00 0.00 C ATOM 211 OH TYR A 16 -14.164 8.120 3.675 1.00 0.00 O ATOM 0 H TYR A 16 -9.047 13.898 5.955 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.366 11.847 7.453 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.680 13.201 5.994 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.579 12.975 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.336 10.507 3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.593 11.843 6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.694 8.623 2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -14.952 9.957 5.369 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.897 7.887 2.761 1.00 0.00 H new ATOM 221 N CYS A 17 -8.324 10.986 5.014 1.00 0.00 N ATOM 222 CA CYS A 17 -7.585 9.866 4.443 1.00 0.00 C ATOM 223 C CYS A 17 -6.905 9.049 5.536 1.00 0.00 C ATOM 224 O CYS A 17 -6.821 7.824 5.449 1.00 0.00 O ATOM 225 CB CYS A 17 -6.543 10.372 3.444 1.00 0.00 C ATOM 226 SG CYS A 17 -7.199 10.690 1.790 1.00 0.00 S ATOM 0 H CYS A 17 -8.089 11.894 4.614 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.294 9.222 3.922 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.101 11.290 3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.740 9.638 3.370 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.333 11.318 1.886 1.00 0.00 H new ATOM 232 N ASP A 18 -6.419 9.735 6.564 1.00 0.00 N ATOM 233 CA ASP A 18 -5.745 9.073 7.676 1.00 0.00 C ATOM 234 C ASP A 18 -6.547 7.868 8.157 1.00 0.00 C ATOM 235 O ASP A 18 -5.979 6.839 8.524 1.00 0.00 O ATOM 236 CB ASP A 18 -5.533 10.055 8.829 1.00 0.00 C ATOM 237 CG ASP A 18 -5.021 9.373 10.083 1.00 0.00 C ATOM 238 OD1 ASP A 18 -3.879 8.869 10.060 1.00 0.00 O ATOM 239 OD2 ASP A 18 -5.763 9.346 11.087 1.00 0.00 O ATOM 0 H ASP A 18 -6.479 10.750 6.651 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.774 8.723 7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.824 10.824 8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.474 10.559 9.051 1.00 0.00 H new ATOM 244 N SER A 19 -7.869 8.004 8.155 1.00 0.00 N ATOM 245 CA SER A 19 -8.749 6.928 8.596 1.00 0.00 C ATOM 246 C SER A 19 -8.707 5.757 7.619 1.00 0.00 C ATOM 247 O SER A 19 -8.556 4.604 8.022 1.00 0.00 O ATOM 248 CB SER A 19 -10.184 7.440 8.736 1.00 0.00 C ATOM 249 OG SER A 19 -10.813 7.548 7.471 1.00 0.00 O ATOM 0 H SER A 19 -8.354 8.849 7.853 1.00 0.00 H new ATOM 0 HA SER A 19 -8.399 6.580 9.568 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.754 6.763 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.180 8.413 9.228 1.00 0.00 H new ATOM 0 HG SER A 19 -10.499 8.358 7.018 1.00 0.00 H new ATOM 255 N ILE A 20 -8.843 6.063 6.333 1.00 0.00 N ATOM 256 CA ILE A 20 -8.820 5.037 5.298 1.00 0.00 C ATOM 257 C ILE A 20 -7.778 3.968 5.606 1.00 0.00 C ATOM 258 O ILE A 20 -7.925 2.810 5.213 1.00 0.00 O ATOM 259 CB ILE A 20 -8.525 5.641 3.912 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.535 6.743 3.586 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.551 4.558 2.845 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.361 7.333 2.205 1.00 0.00 C ATOM 0 H ILE A 20 -8.970 7.013 5.983 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.810 4.582 5.284 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.528 6.082 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.543 6.338 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.444 7.538 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.341 5.001 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.796 3.805 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.535 4.090 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.111 8.107 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.365 7.768 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.481 6.550 1.457 1.00 0.00 H new ATOM 274 N LEU A 21 -6.725 4.362 6.314 1.00 0.00 N ATOM 275 CA LEU A 21 -5.658 3.437 6.678 1.00 0.00 C ATOM 276 C LEU A 21 -6.007 2.677 7.953 1.00 0.00 C ATOM 277 O LEU A 21 -5.904 1.451 8.005 1.00 0.00 O ATOM 278 CB LEU A 21 -4.342 4.195 6.867 1.00 0.00 C ATOM 279 CG LEU A 21 -3.200 3.407 7.511 1.00 0.00 C ATOM 280 CD1 LEU A 21 -2.588 2.440 6.510 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.141 4.354 8.057 1.00 0.00 C ATOM 0 H LEU A 21 -6.588 5.316 6.647 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.543 2.717 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.007 4.550 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.538 5.076 7.477 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.605 2.829 8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.777 1.888 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.350 1.741 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.197 2.997 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.336 3.777 8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.739 4.959 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.588 5.006 8.807 1.00 0.00 H new ATOM 293 N ARG A 22 -6.423 3.412 8.980 1.00 0.00 N ATOM 294 CA ARG A 22 -6.789 2.807 10.254 1.00 0.00 C ATOM 295 C ARG A 22 -7.903 1.781 10.069 1.00 0.00 C ATOM 296 O ARG A 22 -7.962 0.780 10.783 1.00 0.00 O ATOM 297 CB ARG A 22 -7.233 3.884 11.246 1.00 0.00 C ATOM 298 CG ARG A 22 -8.725 4.173 11.203 1.00 0.00 C ATOM 299 CD ARG A 22 -9.492 3.283 12.169 1.00 0.00 C ATOM 300 NE ARG A 22 -9.310 3.698 13.558 1.00 0.00 N ATOM 301 CZ ARG A 22 -9.852 3.065 14.591 1.00 0.00 C ATOM 302 NH1 ARG A 22 -10.607 1.992 14.394 1.00 0.00 N ATOM 303 NH2 ARG A 22 -9.640 3.503 15.826 1.00 0.00 N ATOM 0 H ARG A 22 -6.515 4.428 8.954 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.911 2.297 10.650 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.961 3.572 12.254 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.687 4.804 11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.902 5.219 11.452 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.098 4.019 10.190 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.553 3.307 11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.160 2.251 12.053 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.735 4.519 13.744 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.772 1.652 13.447 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.022 1.508 15.190 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.060 4.327 15.982 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.057 3.015 16.619 1.00 0.00 H new ATOM 317 N GLU A 23 -8.783 2.038 9.107 1.00 0.00 N ATOM 318 CA GLU A 23 -9.895 1.136 8.829 1.00 0.00 C ATOM 319 C GLU A 23 -9.413 -0.116 8.103 1.00 0.00 C ATOM 320 O GLU A 23 -9.722 -1.237 8.505 1.00 0.00 O ATOM 321 CB GLU A 23 -10.960 1.847 7.991 1.00 0.00 C ATOM 322 CG GLU A 23 -11.788 0.905 7.133 1.00 0.00 C ATOM 323 CD GLU A 23 -13.198 1.413 6.902 1.00 0.00 C ATOM 324 OE1 GLU A 23 -13.654 2.271 7.687 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.844 0.954 5.938 1.00 0.00 O ATOM 0 H GLU A 23 -8.748 2.862 8.507 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.332 0.836 9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.625 2.399 8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.474 2.579 7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.294 0.766 6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.832 -0.073 7.613 1.00 0.00 H new ATOM 332 N MET A 24 -8.653 0.084 7.032 1.00 0.00 N ATOM 333 CA MET A 24 -8.126 -1.028 6.250 1.00 0.00 C ATOM 334 C MET A 24 -7.353 -1.999 7.137 1.00 0.00 C ATOM 335 O MET A 24 -7.300 -3.199 6.863 1.00 0.00 O ATOM 336 CB MET A 24 -7.221 -0.510 5.131 1.00 0.00 C ATOM 337 CG MET A 24 -7.977 -0.099 3.878 1.00 0.00 C ATOM 338 SD MET A 24 -6.946 -0.140 2.399 1.00 0.00 S ATOM 339 CE MET A 24 -5.722 1.103 2.806 1.00 0.00 C ATOM 0 H MET A 24 -8.388 1.006 6.686 1.00 0.00 H new ATOM 0 HA MET A 24 -8.969 -1.560 5.808 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.654 0.345 5.500 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.498 -1.284 4.872 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.831 -0.763 3.739 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.374 0.907 4.012 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.074 1.271 1.946 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.223 2.034 3.071 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.123 0.761 3.650 1.00 0.00 H new ATOM 349 N LEU A 25 -6.755 -1.473 8.200 1.00 0.00 N ATOM 350 CA LEU A 25 -5.984 -2.293 9.128 1.00 0.00 C ATOM 351 C LEU A 25 -6.894 -2.945 10.164 1.00 0.00 C ATOM 352 O LEU A 25 -6.536 -3.057 11.336 1.00 0.00 O ATOM 353 CB LEU A 25 -4.921 -1.445 9.828 1.00 0.00 C ATOM 354 CG LEU A 25 -3.559 -1.370 9.136 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.732 -0.229 9.707 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.817 -2.691 9.276 1.00 0.00 C ATOM 0 H LEU A 25 -6.789 -0.482 8.441 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.493 -3.080 8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.307 -0.432 9.937 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.774 -1.840 10.833 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.722 -1.178 8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.767 -0.191 9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.258 0.713 9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.578 -0.390 10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.850 -2.620 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.666 -2.913 10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.403 -3.488 8.818 1.00 0.00 H new ATOM 368 N SER A 26 -8.072 -3.375 9.723 1.00 0.00 N ATOM 369 CA SER A 26 -9.034 -4.014 10.613 1.00 0.00 C ATOM 370 C SER A 26 -9.025 -5.528 10.426 1.00 0.00 C ATOM 371 O SER A 26 -8.659 -6.032 9.364 1.00 0.00 O ATOM 372 CB SER A 26 -10.440 -3.466 10.356 1.00 0.00 C ATOM 373 OG SER A 26 -11.428 -4.323 10.901 1.00 0.00 O ATOM 0 H SER A 26 -8.383 -3.292 8.755 1.00 0.00 H new ATOM 0 HA SER A 26 -8.746 -3.790 11.640 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.533 -2.473 10.796 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.601 -3.356 9.284 1.00 0.00 H new ATOM 0 HG SER A 26 -12.317 -3.950 10.725 1.00 0.00 H new ATOM 379 N LYS A 27 -9.429 -6.249 11.466 1.00 0.00 N ATOM 380 CA LYS A 27 -9.470 -7.705 11.419 1.00 0.00 C ATOM 381 C LYS A 27 -10.210 -8.189 10.176 1.00 0.00 C ATOM 382 O LYS A 27 -9.710 -9.032 9.431 1.00 0.00 O ATOM 383 CB LYS A 27 -10.145 -8.259 12.676 1.00 0.00 C ATOM 384 CG LYS A 27 -10.077 -9.772 12.787 1.00 0.00 C ATOM 385 CD LYS A 27 -11.225 -10.437 12.046 1.00 0.00 C ATOM 386 CE LYS A 27 -11.272 -11.933 12.318 1.00 0.00 C ATOM 387 NZ LYS A 27 -12.567 -12.534 11.895 1.00 0.00 N ATOM 0 H LYS A 27 -9.733 -5.848 12.353 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.444 -8.070 11.375 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.675 -7.817 13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.190 -7.949 12.683 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.128 -10.125 12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.104 -10.062 13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.168 -9.981 12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.117 -10.264 10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.454 -12.424 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.118 -12.114 13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.559 -13.554 12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.346 -12.084 12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.702 -12.384 10.875 1.00 0.00 H new ATOM 401 N LYS A 28 -11.405 -7.650 9.958 1.00 0.00 N ATOM 402 CA LYS A 28 -12.214 -8.024 8.804 1.00 0.00 C ATOM 403 C LYS A 28 -11.365 -8.081 7.539 1.00 0.00 C ATOM 404 O LYS A 28 -11.282 -9.119 6.880 1.00 0.00 O ATOM 405 CB LYS A 28 -13.362 -7.029 8.616 1.00 0.00 C ATOM 406 CG LYS A 28 -14.269 -7.362 7.444 1.00 0.00 C ATOM 407 CD LYS A 28 -15.421 -6.377 7.334 1.00 0.00 C ATOM 408 CE LYS A 28 -16.119 -6.485 5.987 1.00 0.00 C ATOM 409 NZ LYS A 28 -16.935 -5.275 5.686 1.00 0.00 N ATOM 0 H LYS A 28 -11.835 -6.953 10.566 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.627 -9.016 8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.958 -6.998 9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.947 -6.031 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.690 -7.351 6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.662 -8.372 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.139 -6.564 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.048 -5.362 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.375 -6.626 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.760 -7.366 5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.394 -5.388 4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.661 -5.155 6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.319 -4.437 5.667 1.00 0.00 H new ATOM 423 N HIS A 29 -10.733 -6.960 7.204 1.00 0.00 N ATOM 424 CA HIS A 29 -9.888 -6.884 6.018 1.00 0.00 C ATOM 425 C HIS A 29 -8.668 -7.789 6.161 1.00 0.00 C ATOM 426 O HIS A 29 -8.223 -8.404 5.193 1.00 0.00 O ATOM 427 CB HIS A 29 -9.441 -5.441 5.776 1.00 0.00 C ATOM 428 CG HIS A 29 -10.577 -4.468 5.702 1.00 0.00 C ATOM 429 ND1 HIS A 29 -10.749 -3.263 6.294 1.00 0.00 N flip ATOM 430 CD2 HIS A 29 -11.710 -4.689 4.949 1.00 0.00 C flip ATOM 431 CE1 HIS A 29 -11.971 -2.783 5.891 1.00 0.00 C flip ATOM 432 NE2 HIS A 29 -12.531 -3.662 5.080 1.00 0.00 N flip ATOM 0 H HIS A 29 -10.790 -6.092 7.737 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.473 -7.224 5.163 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.766 -5.139 6.577 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.873 -5.396 4.847 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.898 -5.565 4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.404 -1.840 6.189 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.442 -3.565 4.631 1.00 0.00 H new ATOM 440 N ALA A 30 -8.132 -7.864 7.375 1.00 0.00 N ATOM 441 CA ALA A 30 -6.965 -8.695 7.645 1.00 0.00 C ATOM 442 C ALA A 30 -6.973 -9.951 6.780 1.00 0.00 C ATOM 443 O ALA A 30 -5.992 -10.256 6.103 1.00 0.00 O ATOM 444 CB ALA A 30 -6.912 -9.067 9.119 1.00 0.00 C ATOM 0 H ALA A 30 -8.487 -7.359 8.187 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.074 -8.119 7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.036 -9.688 9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.850 -8.160 9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.812 -9.620 9.387 1.00 0.00 H new ATOM 450 N ALA A 31 -8.087 -10.676 6.808 1.00 0.00 N ATOM 451 CA ALA A 31 -8.222 -11.898 6.026 1.00 0.00 C ATOM 452 C ALA A 31 -7.617 -11.730 4.636 1.00 0.00 C ATOM 453 O ALA A 31 -6.811 -12.550 4.197 1.00 0.00 O ATOM 454 CB ALA A 31 -9.687 -12.297 5.921 1.00 0.00 C ATOM 0 H ALA A 31 -8.908 -10.438 7.364 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.676 -12.690 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.774 -13.211 5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.090 -12.467 6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.247 -11.499 5.434 1.00 0.00 H new ATOM 460 N TYR A 32 -8.011 -10.664 3.949 1.00 0.00 N ATOM 461 CA TYR A 32 -7.509 -10.391 2.608 1.00 0.00 C ATOM 462 C TYR A 32 -6.709 -9.092 2.580 1.00 0.00 C ATOM 463 O TYR A 32 -6.585 -8.449 1.538 1.00 0.00 O ATOM 464 CB TYR A 32 -8.669 -10.310 1.614 1.00 0.00 C ATOM 465 CG TYR A 32 -9.882 -9.587 2.155 1.00 0.00 C ATOM 466 CD1 TYR A 32 -9.964 -8.201 2.117 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.946 -10.291 2.705 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.070 -7.537 2.612 1.00 0.00 C ATOM 469 CE2 TYR A 32 -12.057 -9.636 3.201 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.113 -8.259 3.152 1.00 0.00 C ATOM 471 OH TYR A 32 -13.217 -7.601 3.645 1.00 0.00 O ATOM 0 H TYR A 32 -8.677 -9.975 4.299 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.849 -11.209 2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.328 -9.804 0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.958 -11.320 1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.149 -7.633 1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.904 -11.369 2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.117 -6.459 2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.876 -10.199 3.624 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.861 -8.255 3.989 1.00 0.00 H new ATOM 481 N ALA A 33 -6.167 -8.714 3.733 1.00 0.00 N ATOM 482 CA ALA A 33 -5.375 -7.495 3.841 1.00 0.00 C ATOM 483 C ALA A 33 -4.044 -7.764 4.533 1.00 0.00 C ATOM 484 O ALA A 33 -3.192 -6.880 4.626 1.00 0.00 O ATOM 485 CB ALA A 33 -6.155 -6.424 4.591 1.00 0.00 C ATOM 0 H ALA A 33 -6.262 -9.234 4.605 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.164 -7.138 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.552 -5.519 4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.077 -6.203 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.395 -6.782 5.592 1.00 0.00 H new ATOM 491 N TRP A 34 -3.871 -8.988 5.017 1.00 0.00 N ATOM 492 CA TRP A 34 -2.642 -9.373 5.702 1.00 0.00 C ATOM 493 C TRP A 34 -1.497 -9.544 4.710 1.00 0.00 C ATOM 494 O TRP A 34 -0.328 -9.323 5.026 1.00 0.00 O ATOM 495 CB TRP A 34 -2.855 -10.671 6.484 1.00 0.00 C ATOM 496 CG TRP A 34 -3.013 -11.875 5.605 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.172 -12.544 5.332 1.00 0.00 C ATOM 498 CD2 TRP A 34 -1.977 -12.553 4.886 1.00 0.00 C ATOM 499 NE1 TRP A 34 -3.918 -13.597 4.487 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.580 -13.623 4.198 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.599 -12.358 4.755 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.851 -14.495 3.393 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.123 -13.224 3.956 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.504 -14.281 3.283 1.00 0.00 C ATOM 0 H TRP A 34 -4.566 -9.731 4.948 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.378 -8.577 6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.009 -10.827 7.153 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.741 -10.568 7.110 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.145 -12.284 5.723 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.614 -14.253 4.132 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.107 -11.545 5.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.332 -15.311 2.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.188 -13.084 3.848 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.088 -14.940 2.665 1.00 0.00 H new ATOM 515 N PRO A 35 -1.836 -9.948 3.477 1.00 0.00 N ATOM 516 CA PRO A 35 -0.762 -10.124 2.496 1.00 0.00 C ATOM 517 C PRO A 35 0.189 -8.932 2.458 1.00 0.00 C ATOM 518 O PRO A 35 1.310 -9.035 1.958 1.00 0.00 O ATOM 519 CB PRO A 35 -1.512 -10.251 1.168 1.00 0.00 C ATOM 520 CG PRO A 35 -2.856 -10.774 1.541 1.00 0.00 C ATOM 521 CD PRO A 35 -3.161 -10.260 2.914 1.00 0.00 C ATOM 0 HA PRO A 35 -0.133 -10.983 2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.588 -9.288 0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.998 -10.929 0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.611 -10.441 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.863 -11.864 1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.798 -9.376 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.684 -11.006 3.513 1.00 0.00 H new ATOM 529 N PHE A 36 -0.265 -7.802 2.989 1.00 0.00 N ATOM 530 CA PHE A 36 0.546 -6.590 3.016 1.00 0.00 C ATOM 531 C PHE A 36 1.134 -6.359 4.405 1.00 0.00 C ATOM 532 O PHE A 36 2.249 -5.857 4.543 1.00 0.00 O ATOM 533 CB PHE A 36 -0.293 -5.381 2.597 1.00 0.00 C ATOM 534 CG PHE A 36 -1.095 -5.611 1.348 1.00 0.00 C ATOM 535 CD1 PHE A 36 -2.300 -6.294 1.399 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.646 -5.144 0.124 1.00 0.00 C ATOM 537 CE1 PHE A 36 -3.040 -6.508 0.252 1.00 0.00 C ATOM 538 CE2 PHE A 36 -1.381 -5.354 -1.027 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.581 -6.036 -0.963 1.00 0.00 C ATOM 0 H PHE A 36 -1.190 -7.700 3.406 1.00 0.00 H new ATOM 0 HA PHE A 36 1.367 -6.716 2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.970 -5.119 3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.367 -4.527 2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.665 -6.663 2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.290 -4.609 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.976 -7.044 0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.018 -4.986 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.159 -6.200 -1.861 1.00 0.00 H new ATOM 549 N TYR A 37 0.375 -6.729 5.430 1.00 0.00 N ATOM 550 CA TYR A 37 0.818 -6.560 6.809 1.00 0.00 C ATOM 551 C TYR A 37 2.326 -6.760 6.925 1.00 0.00 C ATOM 552 O TYR A 37 3.048 -5.879 7.391 1.00 0.00 O ATOM 553 CB TYR A 37 0.090 -7.544 7.725 1.00 0.00 C ATOM 554 CG TYR A 37 -1.162 -6.974 8.354 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.197 -6.485 7.566 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.309 -6.924 9.734 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.342 -5.962 8.136 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.451 -6.404 10.312 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.464 -5.925 9.509 1.00 0.00 C ATOM 560 OH TYR A 37 -4.603 -5.405 10.081 1.00 0.00 O ATOM 0 H TYR A 37 -0.550 -7.148 5.332 1.00 0.00 H new ATOM 0 HA TYR A 37 0.580 -5.542 7.118 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.174 -8.433 7.152 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.770 -7.863 8.515 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.105 -6.514 6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.517 -7.298 10.366 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.137 -5.584 7.510 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.550 -6.373 11.387 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.530 -5.454 11.057 1.00 0.00 H new ATOM 570 N LYS A 38 2.796 -7.926 6.495 1.00 0.00 N ATOM 571 CA LYS A 38 4.218 -8.245 6.548 1.00 0.00 C ATOM 572 C LYS A 38 4.920 -7.815 5.263 1.00 0.00 C ATOM 573 O LYS A 38 4.377 -7.926 4.164 1.00 0.00 O ATOM 574 CB LYS A 38 4.417 -9.746 6.772 1.00 0.00 C ATOM 575 CG LYS A 38 3.865 -10.241 8.097 1.00 0.00 C ATOM 576 CD LYS A 38 3.891 -11.758 8.180 1.00 0.00 C ATOM 577 CE LYS A 38 2.726 -12.378 7.424 1.00 0.00 C ATOM 578 NZ LYS A 38 1.451 -12.272 8.186 1.00 0.00 N ATOM 0 H LYS A 38 2.212 -8.666 6.106 1.00 0.00 H new ATOM 0 HA LYS A 38 4.657 -7.698 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.937 -10.293 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.482 -9.974 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.450 -9.821 8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.842 -9.886 8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.830 -12.130 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.854 -12.067 9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.615 -11.883 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.942 -13.427 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.703 -12.794 7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.579 -12.676 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.179 -11.272 8.270 1.00 0.00 H new ATOM 592 N PRO A 39 6.156 -7.313 5.403 1.00 0.00 N ATOM 593 CA PRO A 39 6.958 -6.858 4.264 1.00 0.00 C ATOM 594 C PRO A 39 7.421 -8.013 3.383 1.00 0.00 C ATOM 595 O PRO A 39 7.314 -9.179 3.763 1.00 0.00 O ATOM 596 CB PRO A 39 8.159 -6.176 4.926 1.00 0.00 C ATOM 597 CG PRO A 39 8.270 -6.821 6.264 1.00 0.00 C ATOM 598 CD PRO A 39 6.865 -7.151 6.684 1.00 0.00 C ATOM 0 HA PRO A 39 6.391 -6.205 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.068 -6.319 4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.004 -5.101 5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.883 -7.721 6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.744 -6.152 6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.828 -8.061 7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.428 -6.355 7.287 1.00 0.00 H new ATOM 606 N VAL A 40 7.937 -7.682 2.203 1.00 0.00 N ATOM 607 CA VAL A 40 8.418 -8.692 1.268 1.00 0.00 C ATOM 608 C VAL A 40 9.922 -8.569 1.052 1.00 0.00 C ATOM 609 O VAL A 40 10.373 -7.941 0.095 1.00 0.00 O ATOM 610 CB VAL A 40 7.704 -8.583 -0.092 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.256 -9.609 -1.069 1.00 0.00 C ATOM 612 CG2 VAL A 40 6.202 -8.751 0.079 1.00 0.00 C ATOM 0 H VAL A 40 8.032 -6.722 1.872 1.00 0.00 H new ATOM 0 HA VAL A 40 8.196 -9.664 1.709 1.00 0.00 H new ATOM 0 HB VAL A 40 7.890 -7.590 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.739 -9.517 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.322 -9.436 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.103 -10.611 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.714 -8.671 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.992 -9.729 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.822 -7.973 0.741 1.00 0.00 H new ATOM 622 N ASP A 41 10.694 -9.174 1.948 1.00 0.00 N ATOM 623 CA ASP A 41 12.148 -9.135 1.855 1.00 0.00 C ATOM 624 C ASP A 41 12.668 -10.269 0.977 1.00 0.00 C ATOM 625 O ASP A 41 12.773 -11.412 1.420 1.00 0.00 O ATOM 626 CB ASP A 41 12.772 -9.225 3.249 1.00 0.00 C ATOM 627 CG ASP A 41 14.156 -8.609 3.305 1.00 0.00 C ATOM 628 OD1 ASP A 41 14.469 -7.774 2.431 1.00 0.00 O ATOM 629 OD2 ASP A 41 14.927 -8.962 4.222 1.00 0.00 O ATOM 0 H ASP A 41 10.337 -9.697 2.747 1.00 0.00 H new ATOM 0 HA ASP A 41 12.433 -8.187 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.124 -8.722 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.831 -10.271 3.551 1.00 0.00 H new ATOM 634 N ALA A 42 12.991 -9.944 -0.270 1.00 0.00 N ATOM 635 CA ALA A 42 13.500 -10.934 -1.211 1.00 0.00 C ATOM 636 C ALA A 42 14.734 -11.636 -0.653 1.00 0.00 C ATOM 637 O ALA A 42 14.845 -12.860 -0.720 1.00 0.00 O ATOM 638 CB ALA A 42 13.821 -10.279 -2.546 1.00 0.00 C ATOM 0 H ALA A 42 12.909 -9.002 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 42 12.725 -11.685 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.200 -11.031 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.917 -9.830 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.576 -9.507 -2.400 1.00 0.00 H new ATOM 751 N TYR A 50 12.890 -10.350 -6.837 1.00 0.00 N ATOM 752 CA TYR A 50 11.740 -9.552 -6.429 1.00 0.00 C ATOM 753 C TYR A 50 11.928 -8.088 -6.816 1.00 0.00 C ATOM 754 O TYR A 50 11.143 -7.530 -7.583 1.00 0.00 O ATOM 755 CB TYR A 50 11.521 -9.668 -4.920 1.00 0.00 C ATOM 756 CG TYR A 50 10.424 -8.769 -4.396 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.107 -8.936 -4.805 1.00 0.00 C ATOM 758 CD2 TYR A 50 10.705 -7.751 -3.493 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.102 -8.117 -4.330 1.00 0.00 C ATOM 760 CE2 TYR A 50 9.706 -6.928 -3.011 1.00 0.00 C ATOM 761 CZ TYR A 50 8.406 -7.114 -3.433 1.00 0.00 C ATOM 762 OH TYR A 50 7.408 -6.295 -2.956 1.00 0.00 O ATOM 0 HA TYR A 50 10.861 -9.936 -6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.280 -10.702 -4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.452 -9.428 -4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.865 -9.720 -5.507 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.722 -7.601 -3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.083 -8.261 -4.659 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.941 -6.143 -2.308 1.00 0.00 H new ATOM 0 HH TYR A 50 6.921 -6.755 -2.241 1.00 0.00 H new ATOM 772 N HIS A 51 12.977 -7.471 -6.279 1.00 0.00 N ATOM 773 CA HIS A 51 13.271 -6.072 -6.568 1.00 0.00 C ATOM 774 C HIS A 51 13.256 -5.813 -8.072 1.00 0.00 C ATOM 775 O HIS A 51 12.661 -4.842 -8.538 1.00 0.00 O ATOM 776 CB HIS A 51 14.630 -5.684 -5.985 1.00 0.00 C ATOM 777 CG HIS A 51 14.624 -5.547 -4.494 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.717 -4.763 -3.813 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.423 -6.100 -3.551 1.00 0.00 C ATOM 780 CE1 HIS A 51 13.958 -4.839 -2.517 1.00 0.00 C ATOM 781 NE2 HIS A 51 14.988 -5.645 -2.331 1.00 0.00 N ATOM 0 H HIS A 51 13.637 -7.918 -5.642 1.00 0.00 H new ATOM 0 HA HIS A 51 12.497 -5.460 -6.104 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.366 -6.436 -6.270 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.950 -4.741 -6.427 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.249 -6.774 -3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.407 -4.329 -1.741 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.394 -5.890 -1.428 1.00 0.00 H new ATOM 789 N ASP A 52 13.915 -6.688 -8.824 1.00 0.00 N ATOM 790 CA ASP A 52 13.977 -6.554 -10.275 1.00 0.00 C ATOM 791 C ASP A 52 12.612 -6.183 -10.846 1.00 0.00 C ATOM 792 O ASP A 52 12.499 -5.276 -11.671 1.00 0.00 O ATOM 793 CB ASP A 52 14.472 -7.856 -10.908 1.00 0.00 C ATOM 794 CG ASP A 52 15.889 -8.200 -10.491 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.809 -7.420 -10.816 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.077 -9.248 -9.840 1.00 0.00 O ATOM 0 H ASP A 52 14.413 -7.497 -8.453 1.00 0.00 H new ATOM 0 HA ASP A 52 14.679 -5.754 -10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.805 -8.671 -10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.427 -7.769 -11.994 1.00 0.00 H new ATOM 801 N ILE A 53 11.579 -6.891 -10.402 1.00 0.00 N ATOM 802 CA ILE A 53 10.222 -6.636 -10.869 1.00 0.00 C ATOM 803 C ILE A 53 9.598 -5.459 -10.128 1.00 0.00 C ATOM 804 O ILE A 53 9.113 -4.510 -10.746 1.00 0.00 O ATOM 805 CB ILE A 53 9.323 -7.875 -10.691 1.00 0.00 C ATOM 806 CG1 ILE A 53 9.810 -9.017 -11.585 1.00 0.00 C ATOM 807 CG2 ILE A 53 7.876 -7.528 -11.006 1.00 0.00 C ATOM 808 CD1 ILE A 53 9.489 -10.391 -11.038 1.00 0.00 C ATOM 0 H ILE A 53 11.656 -7.645 -9.720 1.00 0.00 H new ATOM 0 HA ILE A 53 10.293 -6.398 -11.930 1.00 0.00 H new ATOM 0 HB ILE A 53 9.380 -8.202 -9.653 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.359 -8.913 -12.572 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.888 -8.930 -11.717 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.253 -8.413 -10.876 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.535 -6.742 -10.332 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.801 -7.180 -12.036 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.863 -11.152 -11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.963 -10.515 -10.064 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.409 -10.497 -10.932 1.00 0.00 H new ATOM 820 N ILE A 54 9.615 -5.526 -8.801 1.00 0.00 N ATOM 821 CA ILE A 54 9.053 -4.464 -7.976 1.00 0.00 C ATOM 822 C ILE A 54 10.103 -3.406 -7.651 1.00 0.00 C ATOM 823 O ILE A 54 10.980 -3.622 -6.815 1.00 0.00 O ATOM 824 CB ILE A 54 8.475 -5.018 -6.661 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.401 -6.068 -6.952 1.00 0.00 C ATOM 826 CG2 ILE A 54 7.905 -3.890 -5.815 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.232 -5.531 -7.748 1.00 0.00 C ATOM 0 H ILE A 54 10.012 -6.304 -8.274 1.00 0.00 H new ATOM 0 HA ILE A 54 8.248 -4.009 -8.553 1.00 0.00 H new ATOM 0 HB ILE A 54 9.280 -5.494 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.852 -6.896 -7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.033 -6.471 -6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.500 -4.298 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.694 -3.175 -5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.111 -3.387 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.510 -6.330 -7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.756 -4.722 -7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.587 -5.154 -8.707 1.00 0.00 H new ATOM 839 N LYS A 55 10.006 -2.261 -8.317 1.00 0.00 N ATOM 840 CA LYS A 55 10.945 -1.167 -8.099 1.00 0.00 C ATOM 841 C LYS A 55 11.009 -0.792 -6.621 1.00 0.00 C ATOM 842 O LYS A 55 12.063 -0.889 -5.991 1.00 0.00 O ATOM 843 CB LYS A 55 10.540 0.054 -8.928 1.00 0.00 C ATOM 844 CG LYS A 55 10.611 -0.179 -10.427 1.00 0.00 C ATOM 845 CD LYS A 55 12.045 -0.352 -10.898 1.00 0.00 C ATOM 846 CE LYS A 55 12.165 -0.162 -12.402 1.00 0.00 C ATOM 847 NZ LYS A 55 11.823 1.227 -12.815 1.00 0.00 N ATOM 0 H LYS A 55 9.286 -2.066 -9.013 1.00 0.00 H new ATOM 0 HA LYS A 55 11.933 -1.501 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.523 0.343 -8.661 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.188 0.891 -8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.033 -1.066 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.155 0.662 -10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.686 0.367 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.401 -1.346 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.182 -0.394 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.505 -0.865 -12.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.256 1.431 -13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.790 1.323 -12.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.184 1.898 -12.107 1.00 0.00 H new ATOM 861 N HIS A 56 9.876 -0.365 -6.074 1.00 0.00 N ATOM 862 CA HIS A 56 9.803 0.022 -4.669 1.00 0.00 C ATOM 863 C HIS A 56 8.600 -0.625 -3.989 1.00 0.00 C ATOM 864 O HIS A 56 7.451 -0.243 -4.212 1.00 0.00 O ATOM 865 CB HIS A 56 9.720 1.543 -4.541 1.00 0.00 C ATOM 866 CG HIS A 56 10.637 2.274 -5.473 1.00 0.00 C ATOM 867 ND1 HIS A 56 11.962 2.522 -5.184 1.00 0.00 N ATOM 868 CD2 HIS A 56 10.413 2.810 -6.696 1.00 0.00 C ATOM 869 CE1 HIS A 56 12.513 3.180 -6.188 1.00 0.00 C ATOM 870 NE2 HIS A 56 11.595 3.367 -7.119 1.00 0.00 N ATOM 0 H HIS A 56 8.996 -0.278 -6.582 1.00 0.00 H new ATOM 0 HA HIS A 56 10.709 -0.327 -4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.694 1.860 -4.731 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.956 1.826 -3.515 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.479 2.801 -7.238 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.540 3.509 -6.239 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.740 3.847 -8.007 1.00 0.00 H new ATOM 878 N PRO A 57 8.868 -1.628 -3.140 1.00 0.00 N ATOM 879 CA PRO A 57 7.821 -2.349 -2.411 1.00 0.00 C ATOM 880 C PRO A 57 7.163 -1.487 -1.338 1.00 0.00 C ATOM 881 O PRO A 57 7.843 -0.789 -0.587 1.00 0.00 O ATOM 882 CB PRO A 57 8.574 -3.517 -1.770 1.00 0.00 C ATOM 883 CG PRO A 57 9.980 -3.039 -1.648 1.00 0.00 C ATOM 884 CD PRO A 57 10.214 -2.136 -2.827 1.00 0.00 C ATOM 0 HA PRO A 57 7.007 -2.658 -3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.156 -3.771 -0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.513 -4.414 -2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.130 -2.504 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.678 -3.876 -1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.902 -1.327 -2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.645 -2.678 -3.669 1.00 0.00 H new ATOM 892 N MET A 58 5.837 -1.540 -1.273 1.00 0.00 N ATOM 893 CA MET A 58 5.088 -0.765 -0.291 1.00 0.00 C ATOM 894 C MET A 58 4.288 -1.681 0.629 1.00 0.00 C ATOM 895 O MET A 58 3.998 -2.826 0.282 1.00 0.00 O ATOM 896 CB MET A 58 4.150 0.218 -0.994 1.00 0.00 C ATOM 897 CG MET A 58 3.495 1.213 -0.050 1.00 0.00 C ATOM 898 SD MET A 58 4.697 2.199 0.864 1.00 0.00 S ATOM 899 CE MET A 58 5.433 3.150 -0.463 1.00 0.00 C ATOM 0 H MET A 58 5.259 -2.112 -1.889 1.00 0.00 H new ATOM 0 HA MET A 58 5.801 -0.205 0.314 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.711 0.764 -1.752 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.373 -0.342 -1.514 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.846 1.877 -0.621 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.861 0.676 0.655 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.995 3.985 -0.044 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.104 2.513 -1.038 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.648 3.532 -1.115 1.00 0.00 H new ATOM 909 N ASP A 59 3.934 -1.170 1.803 1.00 0.00 N ATOM 910 CA ASP A 59 3.166 -1.942 2.773 1.00 0.00 C ATOM 911 C ASP A 59 2.504 -1.025 3.796 1.00 0.00 C ATOM 912 O ASP A 59 2.884 0.137 3.942 1.00 0.00 O ATOM 913 CB ASP A 59 4.069 -2.952 3.483 1.00 0.00 C ATOM 914 CG ASP A 59 4.981 -3.689 2.522 1.00 0.00 C ATOM 915 OD1 ASP A 59 5.981 -3.089 2.076 1.00 0.00 O ATOM 916 OD2 ASP A 59 4.695 -4.865 2.216 1.00 0.00 O ATOM 0 H ASP A 59 4.167 -0.224 2.106 1.00 0.00 H new ATOM 0 HA ASP A 59 2.385 -2.480 2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.673 -2.434 4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.452 -3.673 4.019 1.00 0.00 H new ATOM 921 N LEU A 60 1.511 -1.554 4.502 1.00 0.00 N ATOM 922 CA LEU A 60 0.794 -0.783 5.512 1.00 0.00 C ATOM 923 C LEU A 60 1.767 -0.102 6.469 1.00 0.00 C ATOM 924 O LEU A 60 1.600 1.068 6.812 1.00 0.00 O ATOM 925 CB LEU A 60 -0.158 -1.690 6.294 1.00 0.00 C ATOM 926 CG LEU A 60 -1.574 -1.820 5.731 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.268 -0.467 5.713 1.00 0.00 C ATOM 928 CD2 LEU A 60 -1.539 -2.423 4.335 1.00 0.00 C ATOM 0 H LEU A 60 1.184 -2.514 4.394 1.00 0.00 H new ATOM 0 HA LEU A 60 0.215 -0.013 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.283 -2.685 6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.227 -1.316 7.315 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.142 -2.487 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.274 -0.580 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.326 -0.074 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.702 0.224 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.555 -2.508 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.954 -1.781 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.083 -3.412 4.377 1.00 0.00 H new ATOM 940 N SER A 61 2.785 -0.843 6.896 1.00 0.00 N ATOM 941 CA SER A 61 3.785 -0.312 7.816 1.00 0.00 C ATOM 942 C SER A 61 4.279 1.054 7.350 1.00 0.00 C ATOM 943 O SER A 61 4.134 2.054 8.055 1.00 0.00 O ATOM 944 CB SER A 61 4.963 -1.279 7.935 1.00 0.00 C ATOM 945 OG SER A 61 5.979 -0.745 8.767 1.00 0.00 O ATOM 0 H SER A 61 2.939 -1.813 6.620 1.00 0.00 H new ATOM 0 HA SER A 61 3.319 -0.197 8.794 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.618 -2.230 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.370 -1.485 6.945 1.00 0.00 H new ATOM 0 HG SER A 61 6.720 -1.383 8.828 1.00 0.00 H new ATOM 951 N THR A 62 4.863 1.090 6.156 1.00 0.00 N ATOM 952 CA THR A 62 5.381 2.332 5.596 1.00 0.00 C ATOM 953 C THR A 62 4.327 3.433 5.634 1.00 0.00 C ATOM 954 O THR A 62 4.568 4.518 6.166 1.00 0.00 O ATOM 955 CB THR A 62 5.851 2.139 4.142 1.00 0.00 C ATOM 956 OG1 THR A 62 6.706 0.993 4.052 1.00 0.00 O ATOM 957 CG2 THR A 62 6.592 3.371 3.644 1.00 0.00 C ATOM 0 H THR A 62 4.989 0.273 5.558 1.00 0.00 H new ATOM 0 HA THR A 62 6.232 2.625 6.210 1.00 0.00 H new ATOM 0 HB THR A 62 4.972 1.986 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.999 0.876 3.124 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.914 3.211 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.930 4.236 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.464 3.550 4.273 1.00 0.00 H new ATOM 965 N VAL A 63 3.159 3.149 5.068 1.00 0.00 N ATOM 966 CA VAL A 63 2.068 4.115 5.040 1.00 0.00 C ATOM 967 C VAL A 63 1.805 4.688 6.428 1.00 0.00 C ATOM 968 O VAL A 63 1.803 5.904 6.620 1.00 0.00 O ATOM 969 CB VAL A 63 0.770 3.481 4.504 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.349 4.510 4.462 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.002 2.877 3.128 1.00 0.00 C ATOM 0 H VAL A 63 2.944 2.257 4.622 1.00 0.00 H new ATOM 0 HA VAL A 63 2.375 4.919 4.370 1.00 0.00 H new ATOM 0 HB VAL A 63 0.470 2.681 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.258 4.044 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.531 4.891 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.062 5.333 3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.075 2.434 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.326 3.656 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.771 2.107 3.193 1.00 0.00 H new ATOM 981 N LYS A 64 1.583 3.804 7.395 1.00 0.00 N ATOM 982 CA LYS A 64 1.321 4.220 8.767 1.00 0.00 C ATOM 983 C LYS A 64 2.468 5.067 9.308 1.00 0.00 C ATOM 984 O LYS A 64 2.245 6.081 9.971 1.00 0.00 O ATOM 985 CB LYS A 64 1.111 2.996 9.662 1.00 0.00 C ATOM 986 CG LYS A 64 0.819 3.345 11.111 1.00 0.00 C ATOM 987 CD LYS A 64 -0.660 3.617 11.331 1.00 0.00 C ATOM 988 CE LYS A 64 -1.021 3.572 12.808 1.00 0.00 C ATOM 989 NZ LYS A 64 -2.416 4.032 13.052 1.00 0.00 N ATOM 0 H LYS A 64 1.579 2.794 7.253 1.00 0.00 H new ATOM 0 HA LYS A 64 0.414 4.824 8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.286 2.404 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.002 2.369 9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.139 2.526 11.755 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.398 4.222 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.916 4.595 10.922 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.251 2.880 10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.904 2.554 13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.328 4.198 13.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.623 3.987 14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.521 5.012 12.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.079 3.419 12.536 1.00 0.00 H new ATOM 1003 N ARG A 65 3.696 4.647 9.019 1.00 0.00 N ATOM 1004 CA ARG A 65 4.877 5.368 9.477 1.00 0.00 C ATOM 1005 C ARG A 65 4.894 6.790 8.925 1.00 0.00 C ATOM 1006 O ARG A 65 5.000 7.759 9.678 1.00 0.00 O ATOM 1007 CB ARG A 65 6.148 4.630 9.050 1.00 0.00 C ATOM 1008 CG ARG A 65 6.393 3.343 9.821 1.00 0.00 C ATOM 1009 CD ARG A 65 6.837 3.625 11.248 1.00 0.00 C ATOM 1010 NE ARG A 65 7.625 2.528 11.803 1.00 0.00 N ATOM 1011 CZ ARG A 65 7.092 1.406 12.275 1.00 0.00 C ATOM 1012 NH1 ARG A 65 5.777 1.234 12.259 1.00 0.00 N ATOM 1013 NH2 ARG A 65 7.875 0.453 12.764 1.00 0.00 N ATOM 0 H ARG A 65 3.898 3.811 8.470 1.00 0.00 H new ATOM 0 HA ARG A 65 4.841 5.419 10.565 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.085 4.400 7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.004 5.292 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.481 2.746 9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.154 2.752 9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.426 4.542 11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.961 3.794 11.874 1.00 0.00 H new ATOM 0 HE ARG A 65 8.640 2.628 11.830 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.172 1.964 11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.371 0.372 12.622 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.887 0.581 12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.465 -0.408 13.126 1.00 0.00 H new ATOM 1027 N LYS A 66 4.788 6.909 7.606 1.00 0.00 N ATOM 1028 CA LYS A 66 4.790 8.213 6.952 1.00 0.00 C ATOM 1029 C LYS A 66 3.694 9.108 7.521 1.00 0.00 C ATOM 1030 O LYS A 66 3.971 10.187 8.046 1.00 0.00 O ATOM 1031 CB LYS A 66 4.597 8.050 5.443 1.00 0.00 C ATOM 1032 CG LYS A 66 5.897 7.857 4.681 1.00 0.00 C ATOM 1033 CD LYS A 66 5.671 7.871 3.179 1.00 0.00 C ATOM 1034 CE LYS A 66 5.490 9.288 2.657 1.00 0.00 C ATOM 1035 NZ LYS A 66 6.795 9.943 2.363 1.00 0.00 N ATOM 0 H LYS A 66 4.700 6.118 6.968 1.00 0.00 H new ATOM 0 HA LYS A 66 5.755 8.684 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.947 7.195 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.084 8.930 5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.599 8.646 4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.353 6.911 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.518 7.403 2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.790 7.277 2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.883 9.267 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.945 9.879 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.628 10.907 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.365 9.987 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.305 9.393 1.642 1.00 0.00 H new ATOM 1049 N MET A 67 2.450 8.653 7.416 1.00 0.00 N ATOM 1050 CA MET A 67 1.313 9.412 7.923 1.00 0.00 C ATOM 1051 C MET A 67 1.501 9.755 9.397 1.00 0.00 C ATOM 1052 O MET A 67 1.224 10.875 9.824 1.00 0.00 O ATOM 1053 CB MET A 67 0.018 8.621 7.732 1.00 0.00 C ATOM 1054 CG MET A 67 -1.218 9.345 8.243 1.00 0.00 C ATOM 1055 SD MET A 67 -1.406 10.987 7.524 1.00 0.00 S ATOM 1056 CE MET A 67 -2.757 10.704 6.382 1.00 0.00 C ATOM 0 H MET A 67 2.204 7.762 6.984 1.00 0.00 H new ATOM 0 HA MET A 67 1.249 10.342 7.358 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.111 8.402 6.672 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.107 7.664 8.246 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.103 8.750 8.017 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.161 9.432 9.328 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.428 10.926 5.367 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.072 9.662 6.442 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.595 11.351 6.642 1.00 0.00 H new ATOM 1066 N ASP A 68 1.975 8.783 10.169 1.00 0.00 N ATOM 1067 CA ASP A 68 2.201 8.982 11.596 1.00 0.00 C ATOM 1068 C ASP A 68 3.146 10.155 11.838 1.00 0.00 C ATOM 1069 O ASP A 68 2.921 10.973 12.729 1.00 0.00 O ATOM 1070 CB ASP A 68 2.774 7.711 12.226 1.00 0.00 C ATOM 1071 CG ASP A 68 3.222 7.926 13.658 1.00 0.00 C ATOM 1072 OD1 ASP A 68 2.349 8.094 14.534 1.00 0.00 O ATOM 1073 OD2 ASP A 68 4.447 7.924 13.902 1.00 0.00 O ATOM 0 H ASP A 68 2.210 7.850 9.831 1.00 0.00 H new ATOM 0 HA ASP A 68 1.242 9.209 12.062 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.021 6.924 12.198 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.620 7.364 11.632 1.00 0.00 H new ATOM 1078 N GLY A 69 4.206 10.228 11.039 1.00 0.00 N ATOM 1079 CA GLY A 69 5.171 11.303 11.183 1.00 0.00 C ATOM 1080 C GLY A 69 4.850 12.492 10.298 1.00 0.00 C ATOM 1081 O GLY A 69 5.750 13.212 9.865 1.00 0.00 O ATOM 0 H GLY A 69 4.414 9.562 10.295 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.199 11.625 12.224 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.165 10.930 10.938 1.00 0.00 H new ATOM 1085 N ARG A 70 3.565 12.698 10.029 1.00 0.00 N ATOM 1086 CA ARG A 70 3.129 13.806 9.188 1.00 0.00 C ATOM 1087 C ARG A 70 4.028 13.946 7.963 1.00 0.00 C ATOM 1088 O ARG A 70 4.416 15.053 7.590 1.00 0.00 O ATOM 1089 CB ARG A 70 3.129 15.111 9.986 1.00 0.00 C ATOM 1090 CG ARG A 70 2.388 15.015 11.310 1.00 0.00 C ATOM 1091 CD ARG A 70 0.916 14.694 11.103 1.00 0.00 C ATOM 1092 NE ARG A 70 0.087 15.199 12.195 1.00 0.00 N ATOM 1093 CZ ARG A 70 -1.114 14.716 12.489 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -1.624 13.720 11.777 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -1.808 15.228 13.497 1.00 0.00 N ATOM 0 H ARG A 70 2.808 12.112 10.381 1.00 0.00 H new ATOM 0 HA ARG A 70 2.114 13.595 8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.160 15.410 10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.676 15.897 9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.846 14.244 11.929 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.484 15.957 11.851 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.579 15.128 10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.788 13.615 11.020 1.00 0.00 H new ATOM 0 HE ARG A 70 0.451 15.964 12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.093 13.323 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.547 13.351 12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.419 15.994 14.047 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.731 14.856 13.722 1.00 0.00 H new ATOM 1109 N GLU A 71 4.356 12.817 7.344 1.00 0.00 N ATOM 1110 CA GLU A 71 5.211 12.815 6.163 1.00 0.00 C ATOM 1111 C GLU A 71 4.404 13.131 4.906 1.00 0.00 C ATOM 1112 O GLU A 71 4.873 13.842 4.017 1.00 0.00 O ATOM 1113 CB GLU A 71 5.904 11.459 6.009 1.00 0.00 C ATOM 1114 CG GLU A 71 6.814 11.105 7.173 1.00 0.00 C ATOM 1115 CD GLU A 71 7.979 10.229 6.757 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.904 10.745 6.095 1.00 0.00 O ATOM 1117 OE2 GLU A 71 7.966 9.026 7.094 1.00 0.00 O ATOM 0 H GLU A 71 4.043 11.893 7.640 1.00 0.00 H new ATOM 0 HA GLU A 71 5.967 13.589 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.146 10.683 5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.489 11.462 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.196 12.022 7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.234 10.592 7.940 1.00 0.00 H new ATOM 1124 N TYR A 72 3.190 12.597 4.841 1.00 0.00 N ATOM 1125 CA TYR A 72 2.318 12.819 3.693 1.00 0.00 C ATOM 1126 C TYR A 72 1.934 14.291 3.578 1.00 0.00 C ATOM 1127 O TYR A 72 1.354 14.881 4.490 1.00 0.00 O ATOM 1128 CB TYR A 72 1.059 11.959 3.808 1.00 0.00 C ATOM 1129 CG TYR A 72 1.299 10.493 3.528 1.00 0.00 C ATOM 1130 CD1 TYR A 72 1.907 10.082 2.347 1.00 0.00 C ATOM 1131 CD2 TYR A 72 0.918 9.518 4.442 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.128 8.744 2.086 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.137 8.178 4.189 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.742 7.796 3.010 1.00 0.00 C ATOM 1135 OH TYR A 72 1.960 6.461 2.755 1.00 0.00 O ATOM 0 H TYR A 72 2.787 12.007 5.569 1.00 0.00 H new ATOM 0 HA TYR A 72 2.863 12.533 2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.647 12.066 4.811 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.308 12.335 3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.212 10.822 1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.443 9.813 5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.601 8.442 1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.836 7.433 4.911 1.00 0.00 H new ATOM 0 HH TYR A 72 2.830 6.349 2.317 1.00 0.00 H new ATOM 1145 N PRO A 73 2.263 14.900 2.429 1.00 0.00 N ATOM 1146 CA PRO A 73 1.961 16.310 2.165 1.00 0.00 C ATOM 1147 C PRO A 73 0.467 16.558 1.983 1.00 0.00 C ATOM 1148 O PRO A 73 -0.069 17.555 2.468 1.00 0.00 O ATOM 1149 CB PRO A 73 2.713 16.595 0.863 1.00 0.00 C ATOM 1150 CG PRO A 73 2.829 15.270 0.193 1.00 0.00 C ATOM 1151 CD PRO A 73 2.954 14.257 1.298 1.00 0.00 C ATOM 0 HA PRO A 73 2.257 16.953 2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.171 17.307 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.695 17.026 1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.954 15.067 -0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.698 15.240 -0.464 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.488 13.309 1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.997 14.044 1.532 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.198 15.647 1.282 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.631 15.768 1.037 1.00 0.00 C ATOM 1161 C ASP A 74 -2.222 14.430 0.604 1.00 0.00 C ATOM 1162 O ASP A 74 -1.493 13.485 0.306 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.901 16.829 -0.031 1.00 0.00 C ATOM 1164 CG ASP A 74 -0.989 16.684 -1.233 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.489 15.564 -1.468 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -0.777 17.691 -1.941 1.00 0.00 O ATOM 0 H ASP A 74 0.231 14.817 0.873 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.109 16.073 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.939 16.758 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.770 17.820 0.404 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.549 14.358 0.572 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.238 13.136 0.174 1.00 0.00 C ATOM 1173 C ALA A 75 -3.512 12.446 -0.976 1.00 0.00 C ATOM 1174 O ALA A 75 -3.363 11.224 -0.982 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.676 13.445 -0.217 1.00 0.00 C ATOM 0 H ALA A 75 -4.168 15.131 0.817 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.242 12.456 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.179 12.524 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.197 13.887 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.683 14.146 -1.052 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.064 13.236 -1.946 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.355 12.699 -3.101 1.00 0.00 C ATOM 1183 C GLN A 76 -1.228 11.769 -2.664 1.00 0.00 C ATOM 1184 O GLN A 76 -1.104 10.651 -3.162 1.00 0.00 O ATOM 1185 CB GLN A 76 -1.792 13.837 -3.955 1.00 0.00 C ATOM 1186 CG GLN A 76 -2.863 14.718 -4.577 1.00 0.00 C ATOM 1187 CD GLN A 76 -3.438 15.720 -3.594 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -2.766 16.672 -3.196 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -4.688 15.510 -3.198 1.00 0.00 N ATOM 0 H GLN A 76 -3.179 14.249 -1.955 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.065 12.125 -3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.139 14.454 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.175 13.414 -4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.440 15.251 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.667 14.090 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.208 14.708 -3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.128 16.151 -2.538 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.407 12.240 -1.730 1.00 0.00 N ATOM 1199 CA GLY A 77 0.700 11.439 -1.243 1.00 0.00 C ATOM 1200 C GLY A 77 0.239 10.151 -0.588 1.00 0.00 C ATOM 1201 O GLY A 77 0.742 9.072 -0.901 1.00 0.00 O ATOM 0 H GLY A 77 -0.489 13.162 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.366 11.203 -2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.278 12.021 -0.526 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.720 10.264 0.325 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.247 9.100 1.028 1.00 0.00 C ATOM 1207 C PHE A 78 -1.771 8.061 0.042 1.00 0.00 C ATOM 1208 O PHE A 78 -1.515 6.866 0.188 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.363 9.519 1.987 1.00 0.00 C ATOM 1210 CG PHE A 78 -3.085 8.359 2.610 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.476 7.593 3.591 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.373 8.034 2.215 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.138 6.524 4.165 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -5.040 6.967 2.786 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.422 6.212 3.763 1.00 0.00 C ATOM 0 H PHE A 78 -1.148 11.150 0.595 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.434 8.654 1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.939 10.139 2.777 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.081 10.137 1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.473 7.834 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.861 8.622 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.652 5.933 4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.043 6.724 2.469 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.942 5.379 4.212 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.509 8.525 -0.962 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.069 7.637 -1.973 1.00 0.00 C ATOM 1227 C ALA A 79 -1.972 7.050 -2.856 1.00 0.00 C ATOM 1228 O ALA A 79 -1.984 5.859 -3.166 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.090 8.381 -2.821 1.00 0.00 C ATOM 0 H ALA A 79 -2.733 9.511 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.568 6.813 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.500 7.706 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.895 8.747 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.607 9.224 -3.316 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.027 7.893 -3.257 1.00 0.00 N ATOM 1236 CA ALA A 80 0.077 7.457 -4.103 1.00 0.00 C ATOM 1237 C ALA A 80 0.717 6.185 -3.557 1.00 0.00 C ATOM 1238 O ALA A 80 0.804 5.174 -4.254 1.00 0.00 O ATOM 1239 CB ALA A 80 1.116 8.562 -4.227 1.00 0.00 C ATOM 0 H ALA A 80 -1.004 8.882 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.322 7.236 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.935 8.222 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.656 9.446 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.502 8.811 -3.239 1.00 0.00 H new ATOM 1245 N ASP A 81 1.165 6.243 -2.308 1.00 0.00 N ATOM 1246 CA ASP A 81 1.798 5.095 -1.668 1.00 0.00 C ATOM 1247 C ASP A 81 0.887 3.872 -1.724 1.00 0.00 C ATOM 1248 O ASP A 81 1.276 2.819 -2.229 1.00 0.00 O ATOM 1249 CB ASP A 81 2.145 5.422 -0.215 1.00 0.00 C ATOM 1250 CG ASP A 81 3.439 6.202 -0.091 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.789 6.926 -1.046 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.103 6.088 0.962 1.00 0.00 O ATOM 0 H ASP A 81 1.102 7.073 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 81 2.716 4.867 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.333 5.998 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.227 4.496 0.354 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.325 4.019 -1.200 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.291 2.927 -1.190 1.00 0.00 C ATOM 1259 C VAL A 82 -1.418 2.293 -2.571 1.00 0.00 C ATOM 1260 O VAL A 82 -1.052 1.134 -2.769 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.679 3.409 -0.729 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.683 2.267 -0.771 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.598 4.008 0.667 1.00 0.00 C ATOM 0 H VAL A 82 -0.662 4.884 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.920 2.183 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.020 4.185 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.658 2.627 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.761 1.889 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.350 1.466 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.588 4.343 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.235 3.254 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.913 4.856 0.660 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.939 3.060 -3.522 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.115 2.573 -4.885 1.00 0.00 C ATOM 1275 C ARG A 83 -0.988 1.621 -5.273 1.00 0.00 C ATOM 1276 O ARG A 83 -1.228 0.460 -5.606 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.166 3.747 -5.866 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.511 4.452 -5.903 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.509 5.606 -6.894 1.00 0.00 C ATOM 1280 NE ARG A 83 -3.931 5.183 -8.227 1.00 0.00 N ATOM 1281 CZ ARG A 83 -3.584 5.816 -9.342 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -2.813 6.893 -9.285 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -4.008 5.370 -10.518 1.00 0.00 N ATOM 0 H ARG A 83 -2.247 4.021 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.058 2.029 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.395 4.468 -5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.928 3.384 -6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.289 3.739 -6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.755 4.826 -4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.173 6.393 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.508 6.035 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.524 4.357 -8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.484 7.238 -8.383 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.548 7.377 -10.143 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.600 4.541 -10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.741 5.856 -11.374 1.00 0.00 H new ATOM 1297 N LEU A 84 0.243 2.120 -5.227 1.00 0.00 N ATOM 1298 CA LEU A 84 1.408 1.314 -5.573 1.00 0.00 C ATOM 1299 C LEU A 84 1.362 -0.040 -4.872 1.00 0.00 C ATOM 1300 O LEU A 84 1.379 -1.086 -5.520 1.00 0.00 O ATOM 1301 CB LEU A 84 2.694 2.052 -5.196 1.00 0.00 C ATOM 1302 CG LEU A 84 3.946 1.664 -5.982 1.00 0.00 C ATOM 1303 CD1 LEU A 84 5.082 2.631 -5.689 1.00 0.00 C ATOM 1304 CD2 LEU A 84 4.360 0.236 -5.654 1.00 0.00 C ATOM 0 H LEU A 84 0.459 3.079 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 84 1.395 1.146 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.526 3.121 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.888 1.884 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 84 3.715 1.719 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.965 2.338 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.784 3.640 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.313 2.609 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.253 -0.024 -6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.572 0.154 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.552 -0.447 -5.916 1.00 0.00 H new ATOM 1316 N MET A 85 1.302 -0.011 -3.545 1.00 0.00 N ATOM 1317 CA MET A 85 1.249 -1.237 -2.756 1.00 0.00 C ATOM 1318 C MET A 85 0.383 -2.288 -3.442 1.00 0.00 C ATOM 1319 O MET A 85 0.687 -3.481 -3.400 1.00 0.00 O ATOM 1320 CB MET A 85 0.705 -0.945 -1.356 1.00 0.00 C ATOM 1321 CG MET A 85 0.479 -2.194 -0.519 1.00 0.00 C ATOM 1322 SD MET A 85 -0.094 -1.818 1.149 1.00 0.00 S ATOM 1323 CE MET A 85 -1.828 -1.490 0.846 1.00 0.00 C ATOM 0 H MET A 85 1.289 0.847 -2.993 1.00 0.00 H new ATOM 0 HA MET A 85 2.263 -1.628 -2.669 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.402 -0.289 -0.834 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.236 -0.403 -1.447 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.253 -2.832 -1.015 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.408 -2.761 -0.461 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.321 -1.241 1.786 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.925 -0.654 0.153 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.296 -2.375 0.414 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.697 -1.839 -4.072 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.608 -2.742 -4.766 1.00 0.00 C ATOM 1335 C PHE A 86 -1.021 -3.185 -6.103 1.00 0.00 C ATOM 1336 O PHE A 86 -0.983 -4.376 -6.412 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.960 -2.063 -4.991 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.792 -1.957 -3.744 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.270 -3.096 -3.116 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.097 -0.719 -3.202 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -5.036 -3.003 -1.969 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.862 -0.620 -2.055 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.333 -1.763 -1.438 1.00 0.00 C ATOM 0 H PHE A 86 -0.963 -0.855 -4.116 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.751 -3.624 -4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.793 -1.064 -5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.517 -2.621 -5.744 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.041 -4.068 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.733 0.178 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.402 -3.899 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.092 0.351 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.932 -1.687 -0.543 1.00 0.00 H new ATOM 1353 N SER A 87 -0.564 -2.218 -6.892 1.00 0.00 N ATOM 1354 CA SER A 87 0.017 -2.507 -8.198 1.00 0.00 C ATOM 1355 C SER A 87 1.187 -3.477 -8.069 1.00 0.00 C ATOM 1356 O SER A 87 1.411 -4.316 -8.941 1.00 0.00 O ATOM 1357 CB SER A 87 0.484 -1.214 -8.869 1.00 0.00 C ATOM 1358 OG SER A 87 -0.618 -0.400 -9.231 1.00 0.00 O ATOM 0 H SER A 87 -0.585 -1.227 -6.650 1.00 0.00 H new ATOM 0 HA SER A 87 -0.752 -2.972 -8.816 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.138 -0.665 -8.192 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.071 -1.452 -9.756 1.00 0.00 H new ATOM 0 HG SER A 87 -0.293 0.421 -9.656 1.00 0.00 H new ATOM 1364 N ASN A 88 1.930 -3.356 -6.973 1.00 0.00 N ATOM 1365 CA ASN A 88 3.078 -4.222 -6.729 1.00 0.00 C ATOM 1366 C ASN A 88 2.674 -5.692 -6.788 1.00 0.00 C ATOM 1367 O ASN A 88 3.124 -6.435 -7.660 1.00 0.00 O ATOM 1368 CB ASN A 88 3.700 -3.907 -5.367 1.00 0.00 C ATOM 1369 CG ASN A 88 4.777 -2.843 -5.455 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.404 -2.664 -6.499 1.00 0.00 O ATOM 1371 ND2 ASN A 88 4.996 -2.131 -4.356 1.00 0.00 N ATOM 0 H ASN A 88 1.758 -2.667 -6.241 1.00 0.00 H new ATOM 0 HA ASN A 88 3.815 -4.035 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.920 -3.574 -4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.126 -4.818 -4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.708 -1.401 -4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.452 -2.314 -3.513 1.00 0.00 H new ATOM 1378 N CYS A 89 1.821 -6.103 -5.856 1.00 0.00 N ATOM 1379 CA CYS A 89 1.355 -7.484 -5.802 1.00 0.00 C ATOM 1380 C CYS A 89 0.733 -7.901 -7.130 1.00 0.00 C ATOM 1381 O CYS A 89 0.957 -9.012 -7.611 1.00 0.00 O ATOM 1382 CB CYS A 89 0.339 -7.657 -4.672 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.262 -6.880 -4.993 1.00 0.00 S ATOM 0 H CYS A 89 1.438 -5.500 -5.128 1.00 0.00 H new ATOM 0 HA CYS A 89 2.216 -8.124 -5.609 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.185 -8.722 -4.496 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.756 -7.239 -3.756 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.077 -5.679 -5.455 1.00 0.00 H new ATOM 1389 N TYR A 90 -0.050 -7.003 -7.718 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.709 -7.279 -8.989 1.00 0.00 C ATOM 1391 C TYR A 90 0.317 -7.537 -10.089 1.00 0.00 C ATOM 1392 O TYR A 90 0.049 -8.265 -11.046 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.612 -6.109 -9.384 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.865 -6.002 -8.544 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.619 -7.128 -8.239 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -3.294 -4.774 -8.055 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.765 -7.034 -7.473 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -4.437 -4.671 -7.286 1.00 0.00 C ATOM 1399 CZ TYR A 90 -5.170 -5.804 -6.999 1.00 0.00 C ATOM 1400 OH TYR A 90 -6.309 -5.707 -6.234 1.00 0.00 O ATOM 0 H TYR A 90 -0.244 -6.078 -7.335 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.318 -8.175 -8.867 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.047 -5.180 -9.300 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.895 -6.216 -10.431 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.304 -8.093 -8.607 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.724 -3.885 -8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.341 -7.919 -7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.755 -3.709 -6.912 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.704 -4.817 -6.347 1.00 0.00 H new ATOM 1410 N LYS A 91 1.493 -6.936 -9.946 1.00 0.00 N ATOM 1411 CA LYS A 91 2.561 -7.101 -10.924 1.00 0.00 C ATOM 1412 C LYS A 91 3.383 -8.351 -10.627 1.00 0.00 C ATOM 1413 O LYS A 91 3.459 -9.265 -11.449 1.00 0.00 O ATOM 1414 CB LYS A 91 3.470 -5.870 -10.929 1.00 0.00 C ATOM 1415 CG LYS A 91 4.684 -6.014 -11.830 1.00 0.00 C ATOM 1416 CD LYS A 91 5.574 -4.784 -11.768 1.00 0.00 C ATOM 1417 CE LYS A 91 6.427 -4.648 -13.020 1.00 0.00 C ATOM 1418 NZ LYS A 91 5.604 -4.330 -14.220 1.00 0.00 N ATOM 0 H LYS A 91 1.731 -6.329 -9.161 1.00 0.00 H new ATOM 0 HA LYS A 91 2.105 -7.213 -11.908 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.892 -5.003 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.805 -5.672 -9.911 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.256 -6.893 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.358 -6.177 -12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.957 -3.893 -11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.219 -4.845 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.169 -3.864 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.973 -5.576 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.204 -3.887 -14.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.191 -5.206 -14.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.842 -3.674 -13.954 1.00 0.00 H new ATOM 1432 N TYR A 92 3.994 -8.386 -9.448 1.00 0.00 N ATOM 1433 CA TYR A 92 4.811 -9.524 -9.044 1.00 0.00 C ATOM 1434 C TYR A 92 4.020 -10.825 -9.144 1.00 0.00 C ATOM 1435 O TYR A 92 4.332 -11.693 -9.958 1.00 0.00 O ATOM 1436 CB TYR A 92 5.318 -9.332 -7.614 1.00 0.00 C ATOM 1437 CG TYR A 92 6.392 -10.319 -7.215 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.649 -10.284 -7.805 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.149 -11.287 -6.248 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.633 -11.184 -7.444 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.127 -12.190 -5.880 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.368 -12.135 -6.481 1.00 0.00 C ATOM 1443 OH TYR A 92 9.345 -13.033 -6.118 1.00 0.00 O ATOM 0 H TYR A 92 3.939 -7.639 -8.755 1.00 0.00 H new ATOM 0 HA TYR A 92 5.664 -9.585 -9.720 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.709 -8.320 -7.509 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.479 -9.423 -6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.861 -9.540 -8.559 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.179 -11.334 -5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.605 -11.143 -7.913 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.922 -12.935 -5.126 1.00 0.00 H new ATOM 0 HH TYR A 92 8.996 -13.634 -5.427 1.00 0.00 H new ATOM 1453 N ASN A 93 2.993 -10.951 -8.310 1.00 0.00 N ATOM 1454 CA ASN A 93 2.155 -12.145 -8.304 1.00 0.00 C ATOM 1455 C ASN A 93 1.396 -12.284 -9.619 1.00 0.00 C ATOM 1456 O ASN A 93 0.854 -11.318 -10.157 1.00 0.00 O ATOM 1457 CB ASN A 93 1.169 -12.096 -7.135 1.00 0.00 C ATOM 1458 CG ASN A 93 1.862 -11.888 -5.802 1.00 0.00 C ATOM 1459 OD1 ASN A 93 1.306 -11.007 -4.978 1.00 0.00 O flip ATOM 1460 ND2 ASN A 93 2.885 -12.511 -5.518 1.00 0.00 N flip ATOM 0 H ASN A 93 2.721 -10.241 -7.630 1.00 0.00 H new ATOM 0 HA ASN A 93 2.804 -13.013 -8.187 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.454 -11.290 -7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.600 -13.025 -7.104 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.277 -13.178 -6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.341 -12.360 -4.618 1.00 0.00 H new ATOM 1467 N PRO A 94 1.353 -13.515 -10.151 1.00 0.00 N ATOM 1468 CA PRO A 94 0.662 -13.809 -11.410 1.00 0.00 C ATOM 1469 C PRO A 94 -0.854 -13.709 -11.276 1.00 0.00 C ATOM 1470 O PRO A 94 -1.398 -13.597 -10.177 1.00 0.00 O ATOM 1471 CB PRO A 94 1.077 -15.251 -11.713 1.00 0.00 C ATOM 1472 CG PRO A 94 1.408 -15.838 -10.384 1.00 0.00 C ATOM 1473 CD PRO A 94 1.977 -14.713 -9.565 1.00 0.00 C ATOM 0 HA PRO A 94 0.926 -13.100 -12.195 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.271 -15.801 -12.199 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.935 -15.283 -12.385 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.520 -16.256 -9.910 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.128 -16.650 -10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.729 -14.819 -8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.064 -14.675 -9.635 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.554 -13.750 -12.419 1.00 0.00 N ATOM 1482 CA PRO A 95 -3.017 -13.666 -12.455 1.00 0.00 C ATOM 1483 C PRO A 95 -3.683 -14.915 -11.888 1.00 0.00 C ATOM 1484 O PRO A 95 -4.909 -15.035 -11.898 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.327 -13.525 -13.947 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.166 -14.153 -14.637 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.971 -13.882 -13.765 1.00 0.00 C ATOM 0 HA PRO A 95 -3.394 -12.843 -11.848 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.260 -14.026 -14.206 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.437 -12.478 -14.231 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.321 -15.224 -14.765 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.027 -13.730 -15.632 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.247 -14.695 -13.811 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.450 -12.974 -14.068 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.870 -15.841 -11.393 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.381 -17.080 -10.820 1.00 0.00 C ATOM 1497 C ASP A 96 -3.253 -17.069 -9.300 1.00 0.00 C ATOM 1498 O ASP A 96 -4.101 -17.613 -8.591 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.632 -18.282 -11.398 1.00 0.00 C ATOM 1500 CG ASP A 96 -1.138 -18.207 -11.150 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -0.727 -18.314 -9.976 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -0.381 -18.041 -12.129 1.00 0.00 O ATOM 0 H ASP A 96 -1.854 -15.757 -11.377 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.437 -17.162 -11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.025 -19.198 -10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.817 -18.340 -12.471 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.188 -16.446 -8.805 1.00 0.00 N ATOM 1508 CA HIS A 97 -1.949 -16.365 -7.368 1.00 0.00 C ATOM 1509 C HIS A 97 -3.216 -15.946 -6.630 1.00 0.00 C ATOM 1510 O HIS A 97 -3.863 -14.965 -6.995 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.822 -15.374 -7.073 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.152 -15.606 -5.754 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.806 -16.130 -4.659 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.123 -15.383 -5.357 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.037 -16.217 -3.645 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.214 -15.771 -4.043 1.00 0.00 N ATOM 0 H HIS A 97 -1.477 -15.990 -9.377 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.655 -17.354 -7.017 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.077 -15.437 -7.866 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.225 -14.361 -7.094 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.920 -14.976 -5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.197 -16.590 -2.659 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.055 -15.722 -3.468 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.565 -16.697 -5.589 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.756 -16.403 -4.801 1.00 0.00 C ATOM 1526 C GLU A 98 -4.658 -15.021 -4.161 1.00 0.00 C ATOM 1527 O GLU A 98 -5.600 -14.231 -4.217 1.00 0.00 O ATOM 1528 CB GLU A 98 -4.953 -17.466 -3.718 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.135 -17.214 -2.462 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.363 -18.268 -1.396 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -3.796 -19.373 -1.524 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -5.109 -17.988 -0.435 1.00 0.00 O ATOM 0 H GLU A 98 -3.040 -17.512 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.616 -16.414 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.009 -17.509 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.687 -18.441 -4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.077 -17.188 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.388 -16.234 -2.058 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.511 -14.738 -3.552 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.289 -13.452 -2.902 1.00 0.00 C ATOM 1541 C VAL A 99 -3.831 -12.306 -3.749 1.00 0.00 C ATOM 1542 O VAL A 99 -4.425 -11.362 -3.229 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.791 -13.212 -2.631 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.098 -12.695 -3.882 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.609 -12.243 -1.472 1.00 0.00 C ATOM 0 H VAL A 99 -2.722 -15.382 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.823 -13.481 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.332 -14.162 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.041 -12.531 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.199 -13.427 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.556 -11.755 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.545 -12.085 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.082 -11.292 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.069 -12.658 -0.575 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.622 -12.396 -5.059 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.091 -11.368 -5.980 1.00 0.00 C ATOM 1557 C VAL A 100 -5.579 -11.094 -5.787 1.00 0.00 C ATOM 1558 O VAL A 100 -6.014 -9.943 -5.790 1.00 0.00 O ATOM 1559 CB VAL A 100 -3.840 -11.770 -7.445 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.385 -10.710 -8.391 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.356 -12.000 -7.687 1.00 0.00 C ATOM 0 H VAL A 100 -3.131 -13.170 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.526 -10.463 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.366 -12.704 -7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.198 -11.012 -9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.458 -10.599 -8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.890 -9.759 -8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.197 -12.283 -8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.806 -11.084 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.000 -12.798 -7.035 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.354 -12.161 -5.619 1.00 0.00 N ATOM 1572 CA ALA A 101 -7.793 -12.036 -5.422 1.00 0.00 C ATOM 1573 C ALA A 101 -8.107 -11.267 -4.143 1.00 0.00 C ATOM 1574 O ALA A 101 -9.059 -10.489 -4.093 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.442 -13.411 -5.386 1.00 0.00 C ATOM 0 H ALA A 101 -6.009 -13.121 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.203 -11.475 -6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.516 -13.302 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.255 -13.926 -6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.020 -13.991 -4.566 1.00 0.00 H new ATOM 1581 N MET A 102 -7.301 -11.491 -3.110 1.00 0.00 N ATOM 1582 CA MET A 102 -7.494 -10.819 -1.830 1.00 0.00 C ATOM 1583 C MET A 102 -7.133 -9.340 -1.933 1.00 0.00 C ATOM 1584 O MET A 102 -7.888 -8.475 -1.491 1.00 0.00 O ATOM 1585 CB MET A 102 -6.648 -11.488 -0.746 1.00 0.00 C ATOM 1586 CG MET A 102 -6.928 -12.973 -0.586 1.00 0.00 C ATOM 1587 SD MET A 102 -6.583 -13.570 1.081 1.00 0.00 S ATOM 1588 CE MET A 102 -4.837 -13.196 1.219 1.00 0.00 C ATOM 0 H MET A 102 -6.508 -12.132 -3.134 1.00 0.00 H new ATOM 0 HA MET A 102 -8.547 -10.900 -1.560 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.593 -11.349 -0.983 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.830 -10.988 0.205 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.972 -13.170 -0.829 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.323 -13.532 -1.300 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.272 -14.124 1.305 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.510 -12.653 0.332 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.665 -12.583 2.104 1.00 0.00 H new ATOM 1598 N ALA A 103 -5.974 -9.058 -2.520 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.515 -7.684 -2.682 1.00 0.00 C ATOM 1600 C ALA A 103 -6.652 -6.776 -3.137 1.00 0.00 C ATOM 1601 O ALA A 103 -6.812 -5.666 -2.630 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.361 -7.627 -3.673 1.00 0.00 C ATOM 0 H ALA A 103 -5.336 -9.763 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.165 -7.326 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.028 -6.595 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.536 -8.237 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.692 -8.008 -4.639 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.437 -7.254 -4.097 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.557 -6.483 -4.622 1.00 0.00 C ATOM 1610 C ARG A 104 -9.587 -6.207 -3.530 1.00 0.00 C ATOM 1611 O ARG A 104 -9.947 -5.057 -3.276 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.218 -7.228 -5.783 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.258 -7.571 -6.911 1.00 0.00 C ATOM 1614 CD ARG A 104 -8.700 -8.820 -7.658 1.00 0.00 C ATOM 1615 NE ARG A 104 -9.677 -8.518 -8.700 1.00 0.00 N ATOM 1616 CZ ARG A 104 -10.136 -9.419 -9.561 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -9.708 -10.673 -9.504 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -11.025 -9.067 -10.481 1.00 0.00 N ATOM 0 H ARG A 104 -7.318 -8.171 -4.527 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.171 -5.530 -4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.666 -8.147 -5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.029 -6.618 -6.180 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.196 -6.733 -7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.258 -7.723 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.830 -9.302 -8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.130 -9.531 -6.953 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.026 -7.562 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.025 -10.947 -8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.062 -11.363 -10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.357 -8.104 -10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.377 -9.760 -11.142 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.057 -7.270 -2.886 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.044 -7.144 -1.820 1.00 0.00 C ATOM 1634 C LYS A 105 -10.826 -5.861 -1.024 1.00 0.00 C ATOM 1635 O LYS A 105 -11.764 -5.100 -0.785 1.00 0.00 O ATOM 1636 CB LYS A 105 -10.974 -8.354 -0.886 1.00 0.00 C ATOM 1637 CG LYS A 105 -11.476 -9.641 -1.518 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.475 -10.789 -0.523 1.00 0.00 C ATOM 1639 CE LYS A 105 -11.347 -12.133 -1.223 1.00 0.00 C ATOM 1640 NZ LYS A 105 -11.832 -13.252 -0.368 1.00 0.00 N ATOM 0 H LYS A 105 -9.770 -8.229 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.032 -7.103 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.942 -8.495 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.560 -8.146 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.486 -9.490 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.848 -9.897 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.650 -10.663 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.396 -10.767 0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.915 -12.114 -2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.304 -12.306 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.728 -14.151 -0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.273 -13.287 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.834 -13.101 -0.134 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.583 -5.627 -0.618 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.240 -4.435 0.150 1.00 0.00 C ATOM 1656 C LEU A 106 -9.305 -3.187 -0.725 1.00 0.00 C ATOM 1657 O LEU A 106 -9.794 -2.142 -0.296 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.842 -4.577 0.753 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.379 -3.429 1.651 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.034 -3.525 3.020 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.863 -3.432 1.782 1.00 0.00 C ATOM 0 H LEU A 106 -8.796 -6.247 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.967 -4.330 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.810 -5.500 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.126 -4.686 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.682 -2.488 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.693 -2.700 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.117 -3.473 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.762 -4.471 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.552 -2.608 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.537 -4.376 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.412 -3.314 0.797 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.811 -3.305 -1.953 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.814 -2.186 -2.888 1.00 0.00 C ATOM 1675 C GLN A 107 -10.232 -1.670 -3.115 1.00 0.00 C ATOM 1676 O GLN A 107 -10.474 -0.464 -3.093 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.192 -2.606 -4.221 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.205 -1.508 -5.272 1.00 0.00 C ATOM 1679 CD GLN A 107 -8.111 -2.050 -6.685 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -8.461 -3.202 -6.944 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -7.637 -1.221 -7.607 1.00 0.00 N ATOM 0 H GLN A 107 -8.404 -4.164 -2.324 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.219 -1.382 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.163 -2.920 -4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.730 -3.472 -4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.120 -0.925 -5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.372 -0.828 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.359 -0.275 -7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.551 -1.530 -8.575 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.163 -2.592 -3.333 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.557 -2.230 -3.563 1.00 0.00 C ATOM 1692 C ASP A 108 -13.080 -1.339 -2.441 1.00 0.00 C ATOM 1693 O ASP A 108 -13.895 -0.446 -2.671 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.420 -3.488 -3.676 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.771 -3.208 -4.306 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.821 -3.010 -5.538 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -15.778 -3.187 -3.567 1.00 0.00 O ATOM 0 H ASP A 108 -10.978 -3.595 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.613 -1.674 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.893 -4.235 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.566 -3.915 -2.684 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.605 -1.588 -1.224 1.00 0.00 N ATOM 1703 CA VAL A 109 -13.024 -0.808 -0.066 1.00 0.00 C ATOM 1704 C VAL A 109 -12.310 0.538 -0.022 1.00 0.00 C ATOM 1705 O VAL A 109 -12.866 1.533 0.443 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.752 -1.564 1.248 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -13.268 -0.770 2.439 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.382 -2.948 1.206 1.00 0.00 C ATOM 0 H VAL A 109 -11.930 -2.324 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.097 -0.644 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.675 -1.683 1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.067 -1.320 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.765 0.196 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.342 -0.616 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.180 -3.468 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.459 -2.853 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.959 -3.515 0.377 1.00 0.00 H new ATOM 1718 N PHE A 110 -11.074 0.562 -0.509 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.282 1.786 -0.525 1.00 0.00 C ATOM 1720 C PHE A 110 -10.799 2.754 -1.585 1.00 0.00 C ATOM 1721 O PHE A 110 -11.046 3.926 -1.303 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.810 1.463 -0.787 1.00 0.00 C ATOM 1723 CG PHE A 110 -8.027 2.628 -1.322 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -8.129 2.996 -2.654 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.187 3.355 -0.493 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -7.410 4.067 -3.150 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.467 4.428 -0.983 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.577 4.783 -2.313 1.00 0.00 C ATOM 0 H PHE A 110 -10.599 -0.253 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.374 2.261 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.350 1.122 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.748 0.637 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.779 2.439 -3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.094 3.080 0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -7.499 4.343 -4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.819 4.989 -0.326 1.00 0.00 H new ATOM 0 HZ PHE A 110 -6.012 5.619 -2.698 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.959 2.254 -2.807 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.445 3.075 -3.910 1.00 0.00 C ATOM 1740 C GLU A 111 -12.742 3.783 -3.531 1.00 0.00 C ATOM 1741 O GLU A 111 -12.979 4.922 -3.931 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.666 2.215 -5.156 1.00 0.00 C ATOM 1743 CG GLU A 111 -12.595 1.035 -4.924 1.00 0.00 C ATOM 1744 CD GLU A 111 -13.237 0.537 -6.204 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -12.510 0.369 -7.205 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -14.466 0.317 -6.205 1.00 0.00 O ATOM 0 H GLU A 111 -10.759 1.286 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.689 3.830 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.076 2.839 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.703 1.845 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.035 0.222 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.375 1.324 -4.220 1.00 0.00 H new ATOM 1753 N MET A 112 -13.578 3.100 -2.756 1.00 0.00 N ATOM 1754 CA MET A 112 -14.851 3.663 -2.322 1.00 0.00 C ATOM 1755 C MET A 112 -14.651 4.620 -1.151 1.00 0.00 C ATOM 1756 O MET A 112 -15.342 5.632 -1.040 1.00 0.00 O ATOM 1757 CB MET A 112 -15.818 2.547 -1.924 1.00 0.00 C ATOM 1758 CG MET A 112 -15.411 1.813 -0.657 1.00 0.00 C ATOM 1759 SD MET A 112 -16.762 0.854 0.055 1.00 0.00 S ATOM 1760 CE MET A 112 -17.464 0.113 -1.417 1.00 0.00 C ATOM 0 H MET A 112 -13.397 2.156 -2.416 1.00 0.00 H new ATOM 0 HA MET A 112 -15.276 4.221 -3.156 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.812 2.972 -1.785 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.889 1.830 -2.742 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.576 1.148 -0.879 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.056 2.535 0.078 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.098 -0.727 -1.134 1.00 0.00 H new ATOM 0 HE2 MET A 112 -18.060 0.855 -1.949 1.00 0.00 H new ATOM 0 HE3 MET A 112 -16.662 -0.240 -2.065 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.702 4.292 -0.280 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.413 5.122 0.883 1.00 0.00 C ATOM 1772 C ARG A 113 -12.978 6.521 0.458 1.00 0.00 C ATOM 1773 O ARG A 113 -13.390 7.518 1.051 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.322 4.475 1.739 1.00 0.00 C ATOM 1775 CG ARG A 113 -12.850 3.439 2.718 1.00 0.00 C ATOM 1776 CD ARG A 113 -13.597 4.091 3.870 1.00 0.00 C ATOM 1777 NE ARG A 113 -14.501 3.157 4.536 1.00 0.00 N ATOM 1778 CZ ARG A 113 -15.733 2.897 4.111 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -16.205 3.499 3.028 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -16.495 2.034 4.771 1.00 0.00 N ATOM 0 H ARG A 113 -13.121 3.458 -0.358 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.326 5.208 1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.590 4.003 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.798 5.253 2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.514 2.749 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.020 2.850 3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.880 4.479 4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.166 4.942 3.497 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.169 2.678 5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.622 4.163 2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -17.151 3.298 2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -16.135 1.570 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -17.441 1.835 4.444 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.141 6.588 -0.573 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.649 7.864 -1.076 1.00 0.00 C ATOM 1796 C PHE A 114 -12.789 8.699 -1.651 1.00 0.00 C ATOM 1797 O PHE A 114 -12.763 9.928 -1.595 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.579 7.636 -2.146 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.577 8.752 -2.240 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -9.962 10.012 -2.669 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -8.251 8.540 -1.899 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -9.043 11.040 -2.757 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -7.327 9.565 -1.985 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.724 10.816 -2.413 1.00 0.00 C ATOM 0 H PHE A 114 -11.790 5.773 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.209 8.409 -0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.055 6.705 -1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.065 7.512 -3.114 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.992 10.193 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.936 7.563 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.355 12.017 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.296 9.387 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.004 11.619 -2.479 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.790 8.021 -2.204 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.940 8.699 -2.789 1.00 0.00 C ATOM 1816 C ALA A 115 -15.800 9.349 -1.710 1.00 0.00 C ATOM 1817 O ALA A 115 -16.135 10.530 -1.797 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.769 7.720 -3.608 1.00 0.00 C ATOM 0 H ALA A 115 -13.827 7.003 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.571 9.486 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.625 8.240 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.156 7.304 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -16.121 6.914 -2.964 1.00 0.00 H new ATOM 1824 N LYS A 116 -16.156 8.570 -0.694 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.976 9.069 0.403 1.00 0.00 C ATOM 1826 C LYS A 116 -16.428 10.389 0.936 1.00 0.00 C ATOM 1827 O LYS A 116 -17.187 11.307 1.246 1.00 0.00 O ATOM 1828 CB LYS A 116 -17.039 8.038 1.531 1.00 0.00 C ATOM 1829 CG LYS A 116 -18.106 6.977 1.328 1.00 0.00 C ATOM 1830 CD LYS A 116 -17.768 6.061 0.163 1.00 0.00 C ATOM 1831 CE LYS A 116 -18.955 5.193 -0.227 1.00 0.00 C ATOM 1832 NZ LYS A 116 -18.934 4.844 -1.674 1.00 0.00 N ATOM 0 H LYS A 116 -15.889 7.589 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.982 9.242 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -16.068 7.552 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.226 8.554 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.211 6.386 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -19.068 7.457 1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -17.457 6.659 -0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.924 5.426 0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.948 4.279 0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.881 5.718 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -19.386 3.918 -1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -19.451 5.567 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -17.950 4.802 -2.007 1.00 0.00 H new ATOM 1846 N MET A 117 -15.106 10.477 1.038 1.00 0.00 N ATOM 1847 CA MET A 117 -14.456 11.686 1.531 1.00 0.00 C ATOM 1848 C MET A 117 -15.166 12.933 1.015 1.00 0.00 C ATOM 1849 O MET A 117 -14.596 14.025 1.004 1.00 0.00 O ATOM 1850 CB MET A 117 -12.986 11.710 1.109 1.00 0.00 C ATOM 1851 CG MET A 117 -12.158 12.746 1.850 1.00 0.00 C ATOM 1852 SD MET A 117 -10.391 12.390 1.797 1.00 0.00 S ATOM 1853 CE MET A 117 -10.112 12.323 0.029 1.00 0.00 C ATOM 0 H MET A 117 -14.464 9.726 0.786 1.00 0.00 H new ATOM 0 HA MET A 117 -14.513 11.681 2.620 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.553 10.724 1.275 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.927 11.908 0.039 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.340 13.729 1.416 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.485 12.791 2.889 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.049 12.181 -0.166 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.674 11.491 -0.397 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.443 13.256 -0.427 1.00 0.00 H new