USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 869 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 20 SER OG : rot -23:sc= -3.42! USER MOD Set 1.2: A 121 ASN : amide:sc= -1.21 K(o=-4.6,f=-1.3) USER MOD Set 2.1: A 92 TYR OH : rot -172:sc= 0.604 USER MOD Set 2.2: A 113 GLN : amide:sc= -2.13 X(o=-1.5,f=-1.8!) USER MOD Set 3.1: A 21 CYS SG : rot -52:sc= -3.02 USER MOD Set 3.2: A 23 GLN : amide:sc= -0.345 K(o=-3.4,f=-4.8) USER MOD Set 4.1: A 17 THR OG1 : rot -120:sc= 0.471 USER MOD Set 4.2: A 47 HIS : no HE2:sc= -3.26! X(o=-4.5!,f=-4.1) USER MOD Set 4.3: A 48 ASN : amide:sc= -0.701 K(o=-4.5,f=-3.6) USER MOD Set 4.4: A 51 MET CE :methyl -158:sc= -1.06! (180deg=-3.54!) USER MOD Set 5.1: A 13 LYS NZ :NH3+ 158:sc= 0.102 (180deg=0) USER MOD Set 5.2: A 90 THR OG1 : rot 11:sc= 0.0351 USER MOD Single : A 7 SER OG : rot -106:sc= 0.298 USER MOD Single : A 8 TYR OH : rot -175:sc= 0.114 USER MOD Single : A 14 ASN : amide:sc= -3.73! C(o=-3.7!,f=-5.5!) USER MOD Single : A 19 SER OG : rot -161:sc= -6.37! USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 42 THR OG1 : rot 180:sc= -2.3! USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.054) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= 0.262 (180deg=0.13) USER MOD Single : A 69 MET CE :methyl -153:sc= -7.22! (180deg=-9.72!) USER MOD Single : A 70 SER OG : rot 67:sc= 0.678 USER MOD Single : A 71 MET CE :methyl 142:sc= -0.321 (180deg=-1.78) USER MOD Single : A 72 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.00083) USER MOD Single : A 79 CYS SG : rot 43:sc= -2.43 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 72:sc= 1.1 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -2.32 K(o=-2.3,f=-5.3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 49:sc= -6.46 USER MOD Single : A 96 THR OG1 : rot 124:sc= -0.614 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 80:sc= -2.49 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -3.85! C(o=-3.9!,f=-4.1!) USER MOD Single : A 120 THR OG1 : rot 170:sc= -1.45! USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= -10! K(o=-10!,f=-9.5) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot -42:sc= 0.00407 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.770 -8.052 -3.296 1.00 0.00 N ATOM 101 CA VAL A 6 3.184 -7.533 -2.066 1.00 0.00 C ATOM 102 C VAL A 6 3.099 -8.628 -1.008 1.00 0.00 C ATOM 103 O VAL A 6 2.505 -9.682 -1.236 1.00 0.00 O ATOM 104 CB VAL A 6 1.786 -6.924 -2.324 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.938 -6.909 -1.061 1.00 0.00 C ATOM 106 CG2 VAL A 6 1.921 -5.520 -2.886 1.00 0.00 C ATOM 0 HA VAL A 6 3.834 -6.740 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 6 1.279 -7.554 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.037 -6.474 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.807 -7.929 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.436 -6.314 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.930 -5.102 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.457 -4.893 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.473 -5.556 -3.825 1.00 0.00 H new ATOM 116 N SER A 7 3.711 -8.378 0.146 1.00 0.00 N ATOM 117 CA SER A 7 3.718 -9.348 1.234 1.00 0.00 C ATOM 118 C SER A 7 2.307 -9.789 1.597 1.00 0.00 C ATOM 119 O SER A 7 2.002 -10.982 1.597 1.00 0.00 O ATOM 120 CB SER A 7 4.417 -8.774 2.468 1.00 0.00 C ATOM 121 OG SER A 7 5.205 -9.761 3.107 1.00 0.00 O ATOM 0 H SER A 7 4.208 -7.511 0.351 1.00 0.00 H new ATOM 0 HA SER A 7 4.270 -10.221 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.046 -7.933 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.674 -8.389 3.166 1.00 0.00 H new ATOM 0 HG SER A 7 4.766 -10.044 3.936 1.00 0.00 H new ATOM 127 N TYR A 8 1.452 -8.828 1.916 1.00 0.00 N ATOM 128 CA TYR A 8 0.080 -9.135 2.291 1.00 0.00 C ATOM 129 C TYR A 8 -0.886 -8.061 1.814 1.00 0.00 C ATOM 130 O TYR A 8 -0.584 -6.871 1.869 1.00 0.00 O ATOM 131 CB TYR A 8 -0.032 -9.292 3.799 1.00 0.00 C ATOM 132 CG TYR A 8 1.103 -10.065 4.437 1.00 0.00 C ATOM 133 CD1 TYR A 8 1.028 -11.443 4.593 1.00 0.00 C ATOM 134 CD2 TYR A 8 2.246 -9.415 4.889 1.00 0.00 C ATOM 135 CE1 TYR A 8 2.057 -12.152 5.182 1.00 0.00 C ATOM 136 CE2 TYR A 8 3.280 -10.119 5.475 1.00 0.00 C ATOM 137 CZ TYR A 8 3.180 -11.486 5.621 1.00 0.00 C ATOM 138 OH TYR A 8 4.206 -12.190 6.210 1.00 0.00 O ATOM 0 H TYR A 8 1.683 -7.834 1.923 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.190 -10.073 1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.080 -8.302 4.252 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.971 -9.794 4.030 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.150 -11.969 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.327 -8.344 4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.981 -13.223 5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.163 -9.600 5.817 1.00 0.00 H new ATOM 0 HH TYR A 8 4.888 -11.565 6.534 1.00 0.00 H new ATOM 148 N VAL A 9 -2.054 -8.492 1.348 1.00 0.00 N ATOM 149 CA VAL A 9 -3.069 -7.550 0.868 1.00 0.00 C ATOM 150 C VAL A 9 -4.440 -7.855 1.470 1.00 0.00 C ATOM 151 O VAL A 9 -5.160 -8.719 0.974 1.00 0.00 O ATOM 152 CB VAL A 9 -3.204 -7.552 -0.673 1.00 0.00 C ATOM 153 CG1 VAL A 9 -3.594 -6.169 -1.169 1.00 0.00 C ATOM 154 CG2 VAL A 9 -1.922 -8.023 -1.352 1.00 0.00 C ATOM 0 H VAL A 9 -2.323 -9.474 1.291 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.728 -6.565 1.189 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.991 -8.258 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.686 -6.184 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.548 -5.880 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.828 -5.449 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.057 -8.010 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.101 -7.359 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.690 -9.037 -1.027 1.00 0.00 H new ATOM 164 N GLU A 10 -4.802 -7.144 2.537 1.00 0.00 N ATOM 165 CA GLU A 10 -6.093 -7.355 3.184 1.00 0.00 C ATOM 166 C GLU A 10 -7.009 -6.146 3.020 1.00 0.00 C ATOM 167 O GLU A 10 -6.653 -5.029 3.394 1.00 0.00 O ATOM 168 CB GLU A 10 -5.899 -7.660 4.672 1.00 0.00 C ATOM 169 CG GLU A 10 -6.392 -9.038 5.079 1.00 0.00 C ATOM 170 CD GLU A 10 -6.108 -9.352 6.535 1.00 0.00 C ATOM 171 OE1 GLU A 10 -6.769 -10.255 7.088 1.00 0.00 O ATOM 172 OE2 GLU A 10 -5.222 -8.696 7.123 1.00 0.00 O ATOM 0 H GLU A 10 -4.224 -6.423 2.968 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.568 -8.207 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.840 -7.575 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.424 -6.907 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.465 -9.104 4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.917 -9.790 4.449 1.00 0.00 H new ATOM 179 N VAL A 11 -8.200 -6.385 2.478 1.00 0.00 N ATOM 180 CA VAL A 11 -9.180 -5.323 2.292 1.00 0.00 C ATOM 181 C VAL A 11 -10.055 -5.221 3.533 1.00 0.00 C ATOM 182 O VAL A 11 -10.114 -6.157 4.329 1.00 0.00 O ATOM 183 CB VAL A 11 -10.051 -5.567 1.040 1.00 0.00 C ATOM 184 CG1 VAL A 11 -11.126 -4.500 0.898 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.177 -5.605 -0.201 1.00 0.00 C ATOM 0 H VAL A 11 -8.508 -7.304 2.161 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.646 -4.385 2.140 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.550 -6.529 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.722 -4.700 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.771 -4.514 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.657 -3.520 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.799 -5.777 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.655 -4.654 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.449 -6.411 -0.109 1.00 0.00 H new ATOM 195 N ILE A 12 -10.710 -4.082 3.719 1.00 0.00 N ATOM 196 CA ILE A 12 -11.543 -3.883 4.897 1.00 0.00 C ATOM 197 C ILE A 12 -12.864 -3.201 4.569 1.00 0.00 C ATOM 198 O ILE A 12 -12.888 -2.058 4.127 1.00 0.00 O ATOM 199 CB ILE A 12 -10.795 -3.034 5.940 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.561 -3.781 6.447 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.706 -2.664 7.098 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.280 -3.002 6.278 1.00 0.00 C ATOM 0 H ILE A 12 -10.681 -3.290 3.077 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.762 -4.874 5.295 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.472 -2.111 5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.697 -4.019 7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.475 -4.729 5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.152 -2.064 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.554 -2.090 6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.067 -3.572 7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.444 -3.589 6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.122 -2.787 5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.347 -2.066 6.833 1.00 0.00 H new ATOM 214 N LYS A 13 -13.964 -3.901 4.813 1.00 0.00 N ATOM 215 CA LYS A 13 -15.286 -3.335 4.564 1.00 0.00 C ATOM 216 C LYS A 13 -15.993 -2.994 5.875 1.00 0.00 C ATOM 217 O LYS A 13 -16.312 -3.879 6.667 1.00 0.00 O ATOM 218 CB LYS A 13 -16.146 -4.301 3.746 1.00 0.00 C ATOM 219 CG LYS A 13 -16.711 -3.685 2.476 1.00 0.00 C ATOM 220 CD LYS A 13 -17.734 -4.597 1.820 1.00 0.00 C ATOM 221 CE LYS A 13 -18.617 -3.834 0.845 1.00 0.00 C ATOM 222 NZ LYS A 13 -17.884 -3.463 -0.395 1.00 0.00 N ATOM 0 H LYS A 13 -13.970 -4.853 5.180 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.149 -2.416 3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.548 -5.173 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.970 -4.655 4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.174 -2.727 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.900 -3.484 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.221 -5.402 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.354 -5.061 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.483 -4.444 0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.995 -2.932 1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.565 -3.293 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.330 -2.599 -0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.244 -4.237 -0.665 1.00 0.00 H new ATOM 236 N ASN A 14 -16.244 -1.704 6.089 1.00 0.00 N ATOM 237 CA ASN A 14 -16.924 -1.243 7.296 1.00 0.00 C ATOM 238 C ASN A 14 -16.132 -1.588 8.552 1.00 0.00 C ATOM 239 O ASN A 14 -16.712 -1.862 9.603 1.00 0.00 O ATOM 240 CB ASN A 14 -18.319 -1.864 7.384 1.00 0.00 C ATOM 241 CG ASN A 14 -19.203 -1.479 6.214 1.00 0.00 C ATOM 242 OD1 ASN A 14 -20.039 -0.581 6.321 1.00 0.00 O ATOM 243 ND2 ASN A 14 -19.026 -2.161 5.087 1.00 0.00 N ATOM 0 H ASN A 14 -15.986 -0.959 5.441 1.00 0.00 H new ATOM 0 HA ASN A 14 -17.008 -0.158 7.233 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.228 -2.949 7.424 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.795 -1.550 8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -19.594 -1.948 4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -18.322 -2.897 5.042 1.00 0.00 H new ATOM 250 N GLY A 15 -14.808 -1.590 8.441 1.00 0.00 N ATOM 251 CA GLY A 15 -13.979 -1.922 9.579 1.00 0.00 C ATOM 252 C GLY A 15 -13.937 -3.414 9.810 1.00 0.00 C ATOM 253 O GLY A 15 -13.750 -3.876 10.935 1.00 0.00 O ATOM 0 H GLY A 15 -14.298 -1.368 7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.968 -1.548 9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.364 -1.425 10.469 1.00 0.00 H new ATOM 257 N GLU A 16 -14.114 -4.164 8.731 1.00 0.00 N ATOM 258 CA GLU A 16 -14.101 -5.613 8.794 1.00 0.00 C ATOM 259 C GLU A 16 -13.477 -6.185 7.531 1.00 0.00 C ATOM 260 O GLU A 16 -13.940 -5.920 6.421 1.00 0.00 O ATOM 261 CB GLU A 16 -15.518 -6.157 8.978 1.00 0.00 C ATOM 262 CG GLU A 16 -15.926 -6.315 10.432 1.00 0.00 C ATOM 263 CD GLU A 16 -16.256 -4.991 11.094 1.00 0.00 C ATOM 264 OE1 GLU A 16 -15.731 -4.732 12.198 1.00 0.00 O ATOM 265 OE2 GLU A 16 -17.037 -4.213 10.507 1.00 0.00 O ATOM 0 H GLU A 16 -14.269 -3.786 7.796 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.503 -5.917 9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.222 -5.488 8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.594 -7.124 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.793 -6.973 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.119 -6.800 10.981 1.00 0.00 H new ATOM 272 N THR A 17 -12.413 -6.953 7.706 1.00 0.00 N ATOM 273 CA THR A 17 -11.704 -7.547 6.581 1.00 0.00 C ATOM 274 C THR A 17 -12.643 -8.303 5.643 1.00 0.00 C ATOM 275 O THR A 17 -13.327 -9.240 6.053 1.00 0.00 O ATOM 276 CB THR A 17 -10.609 -8.488 7.086 1.00 0.00 C ATOM 277 OG1 THR A 17 -10.344 -8.262 8.460 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.304 -8.340 6.338 1.00 0.00 C ATOM 0 H THR A 17 -12.020 -7.181 8.619 1.00 0.00 H new ATOM 0 HA THR A 17 -11.256 -6.731 6.014 1.00 0.00 H new ATOM 0 HB THR A 17 -10.995 -9.494 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.406 -8.002 8.574 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.570 -9.035 6.745 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.463 -8.558 5.282 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.936 -7.320 6.446 1.00 0.00 H new ATOM 286 N ILE A 18 -12.645 -7.902 4.373 1.00 0.00 N ATOM 287 CA ILE A 18 -13.470 -8.557 3.358 1.00 0.00 C ATOM 288 C ILE A 18 -12.627 -9.550 2.580 1.00 0.00 C ATOM 289 O ILE A 18 -13.014 -10.700 2.375 1.00 0.00 O ATOM 290 CB ILE A 18 -14.093 -7.561 2.345 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.505 -6.159 2.507 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.605 -7.529 2.490 1.00 0.00 C ATOM 293 CD1 ILE A 18 -14.060 -5.156 1.520 1.00 0.00 C ATOM 0 H ILE A 18 -12.084 -7.126 4.022 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.282 -9.050 3.892 1.00 0.00 H new ATOM 0 HB ILE A 18 -13.848 -7.909 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.700 -5.806 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.423 -6.212 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.025 -6.825 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.010 -8.524 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.867 -7.216 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.599 -4.183 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.842 -5.486 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.139 -5.075 1.652 1.00 0.00 H new ATOM 305 N SER A 19 -11.463 -9.083 2.154 1.00 0.00 N ATOM 306 CA SER A 19 -10.533 -9.912 1.394 1.00 0.00 C ATOM 307 C SER A 19 -9.186 -9.995 2.102 1.00 0.00 C ATOM 308 O SER A 19 -8.950 -9.289 3.081 1.00 0.00 O ATOM 309 CB SER A 19 -10.355 -9.355 -0.016 1.00 0.00 C ATOM 310 OG SER A 19 -9.569 -8.180 -0.005 1.00 0.00 O ATOM 0 H SER A 19 -11.137 -8.131 2.321 1.00 0.00 H new ATOM 0 HA SER A 19 -10.949 -10.917 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.883 -10.106 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.331 -9.139 -0.451 1.00 0.00 H new ATOM 0 HG SER A 19 -9.713 -7.682 -0.837 1.00 0.00 H new ATOM 316 N SER A 20 -8.305 -10.863 1.607 1.00 0.00 N ATOM 317 CA SER A 20 -6.989 -11.032 2.215 1.00 0.00 C ATOM 318 C SER A 20 -6.039 -11.814 1.314 1.00 0.00 C ATOM 319 O SER A 20 -6.354 -12.916 0.866 1.00 0.00 O ATOM 320 CB SER A 20 -7.120 -11.751 3.560 1.00 0.00 C ATOM 321 OG SER A 20 -8.119 -11.156 4.369 1.00 0.00 O ATOM 0 H SER A 20 -8.477 -11.455 0.794 1.00 0.00 H new ATOM 0 HA SER A 20 -6.570 -10.036 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.363 -12.800 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.164 -11.726 4.082 1.00 0.00 H new ATOM 0 HG SER A 20 -8.263 -10.230 4.083 1.00 0.00 H new ATOM 327 N CYS A 21 -4.862 -11.243 1.085 1.00 0.00 N ATOM 328 CA CYS A 21 -3.836 -11.883 0.272 1.00 0.00 C ATOM 329 C CYS A 21 -2.588 -12.089 1.117 1.00 0.00 C ATOM 330 O CYS A 21 -1.568 -11.431 0.911 1.00 0.00 O ATOM 331 CB CYS A 21 -3.505 -11.023 -0.951 1.00 0.00 C ATOM 332 SG CYS A 21 -2.104 -11.623 -1.929 1.00 0.00 S ATOM 0 H CYS A 21 -4.594 -10.331 1.454 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.206 -12.846 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.385 -10.971 -1.592 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.292 -10.007 -0.619 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.082 -11.818 -1.149 1.00 0.00 H new ATOM 338 N PHE A 22 -2.681 -12.995 2.082 1.00 0.00 N ATOM 339 CA PHE A 22 -1.567 -13.272 2.975 1.00 0.00 C ATOM 340 C PHE A 22 -1.013 -14.663 2.735 1.00 0.00 C ATOM 341 O PHE A 22 -1.510 -15.646 3.283 1.00 0.00 O ATOM 342 CB PHE A 22 -2.008 -13.098 4.430 1.00 0.00 C ATOM 343 CG PHE A 22 -2.310 -11.668 4.764 1.00 0.00 C ATOM 344 CD1 PHE A 22 -3.224 -10.955 4.005 1.00 0.00 C ATOM 345 CD2 PHE A 22 -1.658 -11.020 5.804 1.00 0.00 C ATOM 346 CE1 PHE A 22 -3.481 -9.629 4.268 1.00 0.00 C ATOM 347 CE2 PHE A 22 -1.923 -9.689 6.075 1.00 0.00 C ATOM 348 CZ PHE A 22 -2.832 -8.996 5.304 1.00 0.00 C ATOM 0 H PHE A 22 -3.517 -13.550 2.265 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.768 -12.560 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.893 -13.707 4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.224 -13.466 5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.742 -11.447 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.940 -11.558 6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.191 -9.085 3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.418 -9.193 6.891 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.035 -7.956 5.513 1.00 0.00 H new ATOM 358 N GLN A 23 0.014 -14.737 1.899 1.00 0.00 N ATOM 359 CA GLN A 23 0.627 -16.020 1.574 1.00 0.00 C ATOM 360 C GLN A 23 2.149 -15.920 1.515 1.00 0.00 C ATOM 361 O GLN A 23 2.700 -14.876 1.163 1.00 0.00 O ATOM 362 CB GLN A 23 0.091 -16.546 0.239 1.00 0.00 C ATOM 363 CG GLN A 23 -0.125 -15.460 -0.806 1.00 0.00 C ATOM 364 CD GLN A 23 1.171 -14.989 -1.436 1.00 0.00 C ATOM 365 OE1 GLN A 23 2.127 -15.756 -1.566 1.00 0.00 O ATOM 366 NE2 GLN A 23 1.212 -13.722 -1.829 1.00 0.00 N ATOM 0 H GLN A 23 0.438 -13.933 1.437 1.00 0.00 H new ATOM 0 HA GLN A 23 0.364 -16.717 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.788 -17.284 -0.156 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.853 -17.061 0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.787 -15.838 -1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.629 -14.611 -0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.397 -13.122 -1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.059 -13.348 -2.258 1.00 0.00 H new ATOM 587 N ASN A 38 9.946 -13.840 8.943 1.00 0.00 N ATOM 588 CA ASN A 38 8.758 -13.045 8.657 1.00 0.00 C ATOM 589 C ASN A 38 7.668 -13.900 8.018 1.00 0.00 C ATOM 590 O ASN A 38 6.898 -13.418 7.186 1.00 0.00 O ATOM 591 CB ASN A 38 9.112 -11.879 7.734 1.00 0.00 C ATOM 592 CG ASN A 38 9.948 -10.821 8.429 1.00 0.00 C ATOM 593 OD1 ASN A 38 11.142 -10.685 8.166 1.00 0.00 O ATOM 594 ND2 ASN A 38 9.322 -10.067 9.325 1.00 0.00 N ATOM 0 HA ASN A 38 8.379 -12.653 9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.656 -12.257 6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.195 -11.425 7.360 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.833 -9.340 9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.330 -10.214 9.512 1.00 0.00 H new ATOM 601 N GLU A 39 7.604 -15.165 8.414 1.00 0.00 N ATOM 602 CA GLU A 39 6.603 -16.082 7.883 1.00 0.00 C ATOM 603 C GLU A 39 5.832 -16.762 9.012 1.00 0.00 C ATOM 604 O GLU A 39 5.362 -17.891 8.867 1.00 0.00 O ATOM 605 CB GLU A 39 7.265 -17.130 6.987 1.00 0.00 C ATOM 606 CG GLU A 39 6.276 -18.058 6.300 1.00 0.00 C ATOM 607 CD GLU A 39 6.394 -19.493 6.775 1.00 0.00 C ATOM 608 OE1 GLU A 39 5.366 -20.203 6.784 1.00 0.00 O ATOM 609 OE2 GLU A 39 7.516 -19.907 7.137 1.00 0.00 O ATOM 0 H GLU A 39 8.233 -15.580 9.101 1.00 0.00 H new ATOM 0 HA GLU A 39 5.896 -15.505 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.861 -16.623 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.953 -17.726 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.262 -17.701 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.438 -18.022 5.223 1.00 0.00 H new ATOM 616 N GLN A 40 5.700 -16.058 10.132 1.00 0.00 N ATOM 617 CA GLN A 40 4.982 -16.581 11.289 1.00 0.00 C ATOM 618 C GLN A 40 3.739 -15.744 11.564 1.00 0.00 C ATOM 619 O GLN A 40 2.684 -16.269 11.917 1.00 0.00 O ATOM 620 CB GLN A 40 5.888 -16.590 12.523 1.00 0.00 C ATOM 621 CG GLN A 40 7.312 -17.034 12.231 1.00 0.00 C ATOM 622 CD GLN A 40 7.420 -18.529 11.986 1.00 0.00 C ATOM 623 OE1 GLN A 40 6.427 -19.254 12.063 1.00 0.00 O ATOM 624 NE2 GLN A 40 8.627 -18.993 11.688 1.00 0.00 N ATOM 0 H GLN A 40 6.082 -15.121 10.263 1.00 0.00 H new ATOM 0 HA GLN A 40 4.678 -17.604 11.070 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.910 -15.589 12.954 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.457 -17.252 13.275 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.683 -16.499 11.357 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.953 -16.760 13.069 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.420 -18.354 11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.761 -19.989 11.511 1.00 0.00 H new ATOM 633 N ILE A 41 3.875 -14.434 11.388 1.00 0.00 N ATOM 634 CA ILE A 41 2.776 -13.501 11.600 1.00 0.00 C ATOM 635 C ILE A 41 1.543 -13.910 10.791 1.00 0.00 C ATOM 636 O ILE A 41 1.586 -13.961 9.561 1.00 0.00 O ATOM 637 CB ILE A 41 3.196 -12.075 11.211 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.442 -11.658 12.009 1.00 0.00 C ATOM 639 CG2 ILE A 41 2.051 -11.095 11.423 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.361 -10.271 12.616 1.00 0.00 C ATOM 0 H ILE A 41 4.746 -13.991 11.096 1.00 0.00 H new ATOM 0 HA ILE A 41 2.522 -13.524 12.660 1.00 0.00 H new ATOM 0 HB ILE A 41 3.446 -12.060 10.150 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.606 -12.382 12.807 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.311 -11.704 11.353 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.373 -10.093 11.141 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.201 -11.390 10.808 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.758 -11.100 12.473 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.281 -10.058 13.161 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.230 -9.534 11.824 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.514 -10.222 13.301 1.00 0.00 H new ATOM 652 N THR A 42 0.449 -14.199 11.490 1.00 0.00 N ATOM 653 CA THR A 42 -0.792 -14.600 10.840 1.00 0.00 C ATOM 654 C THR A 42 -1.545 -13.376 10.348 1.00 0.00 C ATOM 655 O THR A 42 -1.425 -12.296 10.925 1.00 0.00 O ATOM 656 CB THR A 42 -1.678 -15.390 11.814 1.00 0.00 C ATOM 657 OG1 THR A 42 -2.849 -15.861 11.176 1.00 0.00 O ATOM 658 CG2 THR A 42 -2.105 -14.589 13.021 1.00 0.00 C ATOM 0 H THR A 42 0.398 -14.162 12.508 1.00 0.00 H new ATOM 0 HA THR A 42 -0.544 -15.236 9.990 1.00 0.00 H new ATOM 0 HB THR A 42 -1.056 -16.220 12.148 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.393 -16.362 11.819 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.728 -15.208 13.667 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.223 -14.263 13.572 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.673 -13.717 12.697 1.00 0.00 H new ATOM 666 N PRO A 43 -2.354 -13.521 9.284 1.00 0.00 N ATOM 667 CA PRO A 43 -3.141 -12.409 8.749 1.00 0.00 C ATOM 668 C PRO A 43 -3.853 -11.649 9.864 1.00 0.00 C ATOM 669 O PRO A 43 -4.193 -10.480 9.713 1.00 0.00 O ATOM 670 CB PRO A 43 -4.149 -13.105 7.835 1.00 0.00 C ATOM 671 CG PRO A 43 -3.462 -14.352 7.396 1.00 0.00 C ATOM 672 CD PRO A 43 -2.581 -14.773 8.538 1.00 0.00 C ATOM 0 HA PRO A 43 -2.532 -11.667 8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.075 -13.328 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.412 -12.477 6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.186 -15.131 7.156 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.874 -14.175 6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.064 -15.527 9.159 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.644 -15.204 8.184 1.00 0.00 H new ATOM 680 N VAL A 44 -4.055 -12.337 10.987 1.00 0.00 N ATOM 681 CA VAL A 44 -4.702 -11.773 12.160 1.00 0.00 C ATOM 682 C VAL A 44 -3.879 -10.646 12.763 1.00 0.00 C ATOM 683 O VAL A 44 -4.413 -9.585 13.065 1.00 0.00 O ATOM 684 CB VAL A 44 -4.888 -12.857 13.216 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.614 -12.332 14.436 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.601 -14.067 12.634 1.00 0.00 C ATOM 0 H VAL A 44 -3.770 -13.309 11.104 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.666 -11.374 11.845 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.896 -13.171 13.539 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.727 -13.134 15.165 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.040 -11.518 14.878 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.598 -11.966 14.144 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.721 -14.825 13.408 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.582 -13.768 12.263 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.012 -14.476 11.813 1.00 0.00 H new ATOM 696 N ILE A 45 -2.576 -10.871 12.943 1.00 0.00 N ATOM 697 CA ILE A 45 -1.717 -9.840 13.511 1.00 0.00 C ATOM 698 C ILE A 45 -1.767 -8.597 12.639 1.00 0.00 C ATOM 699 O ILE A 45 -1.699 -7.470 13.130 1.00 0.00 O ATOM 700 CB ILE A 45 -0.264 -10.332 13.659 1.00 0.00 C ATOM 701 CG1 ILE A 45 -0.157 -11.315 14.824 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.701 -9.169 13.856 1.00 0.00 C ATOM 703 CD1 ILE A 45 0.003 -12.747 14.382 1.00 0.00 C ATOM 0 H ILE A 45 -2.102 -11.743 12.707 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.085 -9.600 14.508 1.00 0.00 H new ATOM 0 HB ILE A 45 0.014 -10.841 12.736 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.693 -11.037 15.448 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.049 -11.231 15.445 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.717 -9.552 13.957 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.648 -8.503 12.995 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.429 -8.619 14.757 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.073 -13.392 15.258 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.858 -13.041 13.782 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.910 -12.845 13.786 1.00 0.00 H new ATOM 715 N PHE A 46 -1.917 -8.818 11.344 1.00 0.00 N ATOM 716 CA PHE A 46 -2.016 -7.732 10.395 1.00 0.00 C ATOM 717 C PHE A 46 -3.436 -7.191 10.388 1.00 0.00 C ATOM 718 O PHE A 46 -3.652 -5.982 10.357 1.00 0.00 O ATOM 719 CB PHE A 46 -1.649 -8.209 8.994 1.00 0.00 C ATOM 720 CG PHE A 46 -0.255 -8.751 8.874 1.00 0.00 C ATOM 721 CD1 PHE A 46 0.840 -7.923 9.035 1.00 0.00 C ATOM 722 CD2 PHE A 46 -0.043 -10.088 8.574 1.00 0.00 C ATOM 723 CE1 PHE A 46 2.122 -8.417 8.901 1.00 0.00 C ATOM 724 CE2 PHE A 46 1.235 -10.586 8.442 1.00 0.00 C ATOM 725 CZ PHE A 46 2.320 -9.751 8.601 1.00 0.00 C ATOM 0 H PHE A 46 -1.973 -9.748 10.928 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.322 -6.946 10.691 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.355 -8.982 8.689 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.765 -7.379 8.298 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.691 -6.879 9.268 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.889 -10.746 8.442 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.970 -7.761 9.031 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.387 -11.631 8.214 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.322 -10.138 8.491 1.00 0.00 H new ATOM 735 N HIS A 47 -4.409 -8.103 10.428 1.00 0.00 N ATOM 736 CA HIS A 47 -5.811 -7.715 10.431 1.00 0.00 C ATOM 737 C HIS A 47 -6.136 -6.946 11.703 1.00 0.00 C ATOM 738 O HIS A 47 -7.008 -6.082 11.713 1.00 0.00 O ATOM 739 CB HIS A 47 -6.712 -8.956 10.275 1.00 0.00 C ATOM 740 CG HIS A 47 -7.781 -9.097 11.319 1.00 0.00 C ATOM 741 ND1 HIS A 47 -9.116 -9.256 11.017 1.00 0.00 N ATOM 742 CD2 HIS A 47 -7.698 -9.113 12.668 1.00 0.00 C ATOM 743 CE1 HIS A 47 -9.809 -9.362 12.136 1.00 0.00 C ATOM 744 NE2 HIS A 47 -8.972 -9.280 13.153 1.00 0.00 N ATOM 0 H HIS A 47 -4.248 -9.110 10.459 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.003 -7.059 9.582 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.185 -8.922 9.294 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.085 -9.847 10.296 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -9.508 -9.287 10.076 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.797 -9.013 13.255 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.879 -9.493 12.207 1.00 0.00 H new ATOM 753 N ASN A 48 -5.410 -7.253 12.773 1.00 0.00 N ATOM 754 CA ASN A 48 -5.605 -6.581 14.045 1.00 0.00 C ATOM 755 C ASN A 48 -4.734 -5.338 14.089 1.00 0.00 C ATOM 756 O ASN A 48 -5.069 -4.353 14.737 1.00 0.00 O ATOM 757 CB ASN A 48 -5.272 -7.510 15.215 1.00 0.00 C ATOM 758 CG ASN A 48 -6.517 -8.053 15.892 1.00 0.00 C ATOM 759 OD1 ASN A 48 -7.179 -7.351 16.655 1.00 0.00 O ATOM 760 ND2 ASN A 48 -6.839 -9.311 15.614 1.00 0.00 N ATOM 0 H ASN A 48 -4.680 -7.965 12.781 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.653 -6.297 14.139 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.665 -8.341 14.855 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.670 -6.969 15.946 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.665 -9.732 16.040 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.260 -9.856 14.975 1.00 0.00 H new ATOM 767 N LEU A 49 -3.631 -5.382 13.347 1.00 0.00 N ATOM 768 CA LEU A 49 -2.740 -4.240 13.248 1.00 0.00 C ATOM 769 C LEU A 49 -3.517 -3.125 12.587 1.00 0.00 C ATOM 770 O LEU A 49 -3.775 -2.074 13.168 1.00 0.00 O ATOM 771 CB LEU A 49 -1.528 -4.597 12.385 1.00 0.00 C ATOM 772 CG LEU A 49 -0.235 -4.846 13.145 1.00 0.00 C ATOM 773 CD1 LEU A 49 0.934 -4.893 12.177 1.00 0.00 C ATOM 774 CD2 LEU A 49 -0.026 -3.762 14.186 1.00 0.00 C ATOM 0 H LEU A 49 -3.337 -6.197 12.808 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.385 -3.942 14.235 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.766 -5.489 11.806 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.361 -3.789 11.672 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.300 -5.806 13.657 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.857 -5.072 12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.779 -5.698 11.459 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.006 -3.943 11.647 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.903 -3.949 14.725 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.030 -2.791 13.694 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.860 -3.766 14.888 1.00 0.00 H new ATOM 786 N ILE A 50 -3.930 -3.423 11.368 1.00 0.00 N ATOM 787 CA ILE A 50 -4.744 -2.526 10.568 1.00 0.00 C ATOM 788 C ILE A 50 -5.930 -2.035 11.391 1.00 0.00 C ATOM 789 O ILE A 50 -6.094 -0.846 11.651 1.00 0.00 O ATOM 790 CB ILE A 50 -5.313 -3.273 9.342 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.220 -3.983 8.554 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.103 -2.341 8.438 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.695 -5.299 7.978 1.00 0.00 C ATOM 0 H ILE A 50 -3.708 -4.302 10.902 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.118 -1.692 10.250 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.995 -4.032 9.725 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.879 -3.336 7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.363 -4.161 9.204 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.488 -2.901 7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.935 -1.911 8.996 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.453 -1.541 8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.882 -5.769 7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.011 -5.957 8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.535 -5.120 7.307 1.00 0.00 H new ATOM 805 N MET A 51 -6.752 -3.000 11.774 1.00 0.00 N ATOM 806 CA MET A 51 -7.961 -2.777 12.548 1.00 0.00 C ATOM 807 C MET A 51 -7.722 -2.001 13.851 1.00 0.00 C ATOM 808 O MET A 51 -8.530 -1.154 14.229 1.00 0.00 O ATOM 809 CB MET A 51 -8.578 -4.147 12.857 1.00 0.00 C ATOM 810 CG MET A 51 -10.044 -4.088 13.252 1.00 0.00 C ATOM 811 SD MET A 51 -11.042 -5.350 12.430 1.00 0.00 S ATOM 812 CE MET A 51 -10.276 -5.400 10.810 1.00 0.00 C ATOM 0 H MET A 51 -6.592 -3.982 11.550 1.00 0.00 H new ATOM 0 HA MET A 51 -8.633 -2.156 11.955 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.474 -4.787 11.981 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.013 -4.615 13.663 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.130 -4.210 14.332 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.441 -3.102 13.010 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.981 -5.811 10.087 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.995 -4.391 10.509 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.386 -6.029 10.847 1.00 0.00 H new ATOM 822 N ASP A 52 -6.639 -2.319 14.552 1.00 0.00 N ATOM 823 CA ASP A 52 -6.333 -1.674 15.834 1.00 0.00 C ATOM 824 C ASP A 52 -5.460 -0.423 15.703 1.00 0.00 C ATOM 825 O ASP A 52 -5.415 0.396 16.623 1.00 0.00 O ATOM 826 CB ASP A 52 -5.655 -2.672 16.772 1.00 0.00 C ATOM 827 CG ASP A 52 -5.829 -2.305 18.233 1.00 0.00 C ATOM 828 OD1 ASP A 52 -5.085 -1.424 18.715 1.00 0.00 O ATOM 829 OD2 ASP A 52 -6.708 -2.894 18.893 1.00 0.00 O ATOM 0 H ASP A 52 -5.956 -3.018 14.259 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.289 -1.347 16.244 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.067 -3.666 16.599 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.592 -2.722 16.537 1.00 0.00 H new ATOM 834 N MET A 53 -4.746 -0.282 14.594 1.00 0.00 N ATOM 835 CA MET A 53 -3.861 0.871 14.411 1.00 0.00 C ATOM 836 C MET A 53 -4.247 1.710 13.197 1.00 0.00 C ATOM 837 O MET A 53 -4.406 2.926 13.297 1.00 0.00 O ATOM 838 CB MET A 53 -2.412 0.406 14.271 1.00 0.00 C ATOM 839 CG MET A 53 -1.765 0.015 15.588 1.00 0.00 C ATOM 840 SD MET A 53 -1.548 1.419 16.699 1.00 0.00 S ATOM 841 CE MET A 53 0.030 2.050 16.136 1.00 0.00 C ATOM 0 H MET A 53 -4.758 -0.940 13.814 1.00 0.00 H new ATOM 0 HA MET A 53 -3.967 1.499 15.296 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.377 -0.446 13.593 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.827 1.203 13.812 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.378 -0.741 16.079 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.795 -0.441 15.391 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.304 2.924 16.727 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.792 1.279 16.252 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.045 2.332 15.086 1.00 0.00 H new ATOM 851 N VAL A 54 -4.379 1.059 12.050 1.00 0.00 N ATOM 852 CA VAL A 54 -4.727 1.757 10.817 1.00 0.00 C ATOM 853 C VAL A 54 -6.166 2.270 10.833 1.00 0.00 C ATOM 854 O VAL A 54 -6.403 3.471 10.718 1.00 0.00 O ATOM 855 CB VAL A 54 -4.523 0.848 9.590 1.00 0.00 C ATOM 856 CG1 VAL A 54 -4.944 1.557 8.310 1.00 0.00 C ATOM 857 CG2 VAL A 54 -3.073 0.395 9.501 1.00 0.00 C ATOM 0 H VAL A 54 -4.251 0.052 11.946 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.058 2.615 10.748 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.155 -0.032 9.709 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.790 0.894 7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.998 1.827 8.373 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.346 2.459 8.180 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.945 -0.246 8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.425 1.266 9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.809 -0.160 10.401 1.00 0.00 H new ATOM 867 N LEU A 55 -7.122 1.357 10.956 1.00 0.00 N ATOM 868 CA LEU A 55 -8.536 1.721 10.964 1.00 0.00 C ATOM 869 C LEU A 55 -8.819 2.906 11.882 1.00 0.00 C ATOM 870 O LEU A 55 -9.438 3.885 11.465 1.00 0.00 O ATOM 871 CB LEU A 55 -9.390 0.521 11.348 1.00 0.00 C ATOM 872 CG LEU A 55 -9.674 -0.439 10.196 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.849 0.044 9.370 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.444 -0.614 9.319 1.00 0.00 C ATOM 0 H LEU A 55 -6.945 0.357 11.052 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.800 2.032 9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.890 -0.026 12.147 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.338 0.878 11.751 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.930 -1.409 10.623 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.033 -0.656 8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.736 0.107 10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.625 1.028 8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.672 -1.303 8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.151 0.351 8.906 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.626 -1.016 9.916 1.00 0.00 H new ATOM 886 N PRO A 56 -8.358 2.850 13.143 1.00 0.00 N ATOM 887 CA PRO A 56 -8.562 3.939 14.098 1.00 0.00 C ATOM 888 C PRO A 56 -7.737 5.176 13.743 1.00 0.00 C ATOM 889 O PRO A 56 -7.752 6.169 14.470 1.00 0.00 O ATOM 890 CB PRO A 56 -8.092 3.351 15.439 1.00 0.00 C ATOM 891 CG PRO A 56 -7.924 1.888 15.198 1.00 0.00 C ATOM 892 CD PRO A 56 -7.602 1.746 13.740 1.00 0.00 C ATOM 0 HA PRO A 56 -9.599 4.274 14.112 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.155 3.806 15.760 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.822 3.537 16.226 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.125 1.480 15.816 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.833 1.343 15.452 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.533 1.836 13.549 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.916 0.779 13.347 1.00 0.00 H new ATOM 900 N LYS A 57 -7.018 5.117 12.619 1.00 0.00 N ATOM 901 CA LYS A 57 -6.201 6.240 12.180 1.00 0.00 C ATOM 902 C LYS A 57 -6.197 6.321 10.658 1.00 0.00 C ATOM 903 O LYS A 57 -5.275 6.867 10.054 1.00 0.00 O ATOM 904 CB LYS A 57 -4.770 6.098 12.705 1.00 0.00 C ATOM 905 CG LYS A 57 -4.051 7.426 12.874 1.00 0.00 C ATOM 906 CD LYS A 57 -4.759 8.322 13.878 1.00 0.00 C ATOM 907 CE LYS A 57 -3.775 8.978 14.834 1.00 0.00 C ATOM 908 NZ LYS A 57 -2.763 9.801 14.112 1.00 0.00 N ATOM 0 H LYS A 57 -6.988 4.305 12.002 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.628 7.159 12.582 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.793 5.582 13.665 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.201 5.470 12.019 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.028 7.247 13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.992 7.933 11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.320 9.092 13.348 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.481 7.735 14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.318 9.607 15.539 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.268 8.209 15.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.197 10.337 14.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.139 9.178 13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.246 10.462 13.471 1.00 0.00 H new ATOM 922 N VAL A 58 -7.239 5.764 10.050 1.00 0.00 N ATOM 923 CA VAL A 58 -7.372 5.758 8.604 1.00 0.00 C ATOM 924 C VAL A 58 -8.066 7.019 8.118 1.00 0.00 C ATOM 925 O VAL A 58 -8.670 7.753 8.899 1.00 0.00 O ATOM 926 CB VAL A 58 -8.175 4.528 8.125 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.664 4.720 8.379 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.924 4.256 6.650 1.00 0.00 C ATOM 0 H VAL A 58 -8.007 5.309 10.543 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.365 5.715 8.188 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.835 3.665 8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.208 3.841 8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.836 4.857 9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.015 5.600 7.839 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.501 3.385 6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.228 5.123 6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.863 4.065 6.491 1.00 0.00 H new ATOM 938 N VAL A 59 -7.985 7.253 6.822 1.00 0.00 N ATOM 939 CA VAL A 59 -8.616 8.407 6.219 1.00 0.00 C ATOM 940 C VAL A 59 -9.222 8.024 4.879 1.00 0.00 C ATOM 941 O VAL A 59 -8.682 7.177 4.168 1.00 0.00 O ATOM 942 CB VAL A 59 -7.615 9.560 6.018 1.00 0.00 C ATOM 943 CG1 VAL A 59 -6.897 9.873 7.319 1.00 0.00 C ATOM 944 CG2 VAL A 59 -6.613 9.228 4.917 1.00 0.00 C ATOM 0 H VAL A 59 -7.485 6.654 6.165 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.398 8.749 6.897 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.173 10.444 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.193 10.690 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.625 10.164 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.356 8.989 7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.918 10.059 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.060 8.328 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.144 9.059 3.980 1.00 0.00 H new ATOM 1052 N VAL A 66 -3.653 4.866 -0.530 1.00 0.00 N ATOM 1053 CA VAL A 66 -2.615 3.911 -0.146 1.00 0.00 C ATOM 1054 C VAL A 66 -1.526 4.604 0.668 1.00 0.00 C ATOM 1055 O VAL A 66 -0.334 4.402 0.433 1.00 0.00 O ATOM 1056 CB VAL A 66 -1.962 3.246 -1.375 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.275 1.946 -0.979 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -2.983 3.004 -2.480 1.00 0.00 C ATOM 0 HA VAL A 66 -3.101 3.141 0.453 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.207 3.929 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.820 1.492 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.503 2.154 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.009 1.261 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.492 2.534 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.772 2.349 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.416 3.955 -2.790 1.00 0.00 H new ATOM 1068 N THR A 67 -1.946 5.430 1.622 1.00 0.00 N ATOM 1069 CA THR A 67 -1.008 6.163 2.463 1.00 0.00 C ATOM 1070 C THR A 67 -0.432 5.273 3.559 1.00 0.00 C ATOM 1071 O THR A 67 -1.144 4.468 4.159 1.00 0.00 O ATOM 1072 CB THR A 67 -1.697 7.374 3.085 1.00 0.00 C ATOM 1073 OG1 THR A 67 -2.163 8.259 2.083 1.00 0.00 O ATOM 1074 CG2 THR A 67 -0.802 8.166 4.017 1.00 0.00 C ATOM 0 H THR A 67 -2.928 5.608 1.831 1.00 0.00 H new ATOM 0 HA THR A 67 -0.185 6.499 1.833 1.00 0.00 H new ATOM 0 HB THR A 67 -2.524 6.964 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.603 9.027 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.357 9.012 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.469 7.525 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.065 8.531 3.466 1.00 0.00 H new ATOM 1082 N LYS A 68 0.862 5.432 3.819 1.00 0.00 N ATOM 1083 CA LYS A 68 1.535 4.653 4.849 1.00 0.00 C ATOM 1084 C LYS A 68 1.324 5.285 6.220 1.00 0.00 C ATOM 1085 O LYS A 68 1.576 6.476 6.408 1.00 0.00 O ATOM 1086 CB LYS A 68 3.033 4.550 4.548 1.00 0.00 C ATOM 1087 CG LYS A 68 3.624 3.181 4.850 1.00 0.00 C ATOM 1088 CD LYS A 68 4.981 3.295 5.530 1.00 0.00 C ATOM 1089 CE LYS A 68 6.028 2.438 4.837 1.00 0.00 C ATOM 1090 NZ LYS A 68 6.731 3.186 3.757 1.00 0.00 N ATOM 0 H LYS A 68 1.464 6.094 3.330 1.00 0.00 H new ATOM 0 HA LYS A 68 1.106 3.651 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.200 4.785 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.564 5.302 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.941 2.622 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.727 2.616 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.303 4.336 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.893 2.990 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.755 2.090 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.552 1.553 4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.584 2.663 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.098 3.290 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.003 4.127 4.107 1.00 0.00 H new ATOM 1104 N MET A 69 0.856 4.487 7.172 1.00 0.00 N ATOM 1105 CA MET A 69 0.609 4.977 8.524 1.00 0.00 C ATOM 1106 C MET A 69 1.856 5.644 9.096 1.00 0.00 C ATOM 1107 O MET A 69 1.769 6.642 9.812 1.00 0.00 O ATOM 1108 CB MET A 69 0.164 3.827 9.427 1.00 0.00 C ATOM 1109 CG MET A 69 -0.157 4.263 10.846 1.00 0.00 C ATOM 1110 SD MET A 69 -1.842 3.866 11.339 1.00 0.00 S ATOM 1111 CE MET A 69 -2.754 4.481 9.929 1.00 0.00 C ATOM 0 H MET A 69 0.640 3.500 7.034 1.00 0.00 H new ATOM 0 HA MET A 69 -0.186 5.721 8.479 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.716 3.354 8.992 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.950 3.072 9.456 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.540 3.784 11.534 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.002 5.338 10.934 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.761 4.758 10.240 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.247 5.355 9.521 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.810 3.705 9.166 1.00 0.00 H new ATOM 1121 N SER A 70 3.016 5.089 8.764 1.00 0.00 N ATOM 1122 CA SER A 70 4.292 5.626 9.227 1.00 0.00 C ATOM 1123 C SER A 70 4.428 5.541 10.743 1.00 0.00 C ATOM 1124 O SER A 70 5.175 6.308 11.352 1.00 0.00 O ATOM 1125 CB SER A 70 4.458 7.075 8.768 1.00 0.00 C ATOM 1126 OG SER A 70 4.215 7.201 7.377 1.00 0.00 O ATOM 0 H SER A 70 3.100 4.262 8.172 1.00 0.00 H new ATOM 0 HA SER A 70 5.080 5.015 8.787 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.770 7.716 9.320 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.467 7.419 8.997 1.00 0.00 H new ATOM 0 HG SER A 70 3.270 7.018 7.192 1.00 0.00 H new ATOM 1132 N MET A 71 3.720 4.597 11.346 1.00 0.00 N ATOM 1133 CA MET A 71 3.787 4.408 12.795 1.00 0.00 C ATOM 1134 C MET A 71 4.617 3.175 13.147 1.00 0.00 C ATOM 1135 O MET A 71 4.796 2.854 14.322 1.00 0.00 O ATOM 1136 CB MET A 71 2.386 4.263 13.394 1.00 0.00 C ATOM 1137 CG MET A 71 1.440 5.387 13.024 1.00 0.00 C ATOM 1138 SD MET A 71 1.705 6.876 14.007 1.00 0.00 S ATOM 1139 CE MET A 71 2.806 7.798 12.937 1.00 0.00 C ATOM 0 H MET A 71 3.095 3.952 10.862 1.00 0.00 H new ATOM 0 HA MET A 71 4.265 5.292 13.217 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.957 3.317 13.064 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.469 4.214 14.480 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.564 5.627 11.968 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.412 5.049 13.155 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.556 8.858 12.984 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.836 7.653 13.263 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.697 7.445 11.912 1.00 0.00 H new ATOM 1149 N ASN A 72 5.120 2.481 12.127 1.00 0.00 N ATOM 1150 CA ASN A 72 5.920 1.282 12.341 1.00 0.00 C ATOM 1151 C ASN A 72 5.137 0.255 13.153 1.00 0.00 C ATOM 1152 O ASN A 72 5.580 -0.190 14.212 1.00 0.00 O ATOM 1153 CB ASN A 72 7.229 1.631 13.050 1.00 0.00 C ATOM 1154 CG ASN A 72 8.405 0.840 12.511 1.00 0.00 C ATOM 1155 OD1 ASN A 72 9.503 1.373 12.344 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.181 -0.440 12.232 1.00 0.00 N ATOM 0 H ASN A 72 4.987 2.730 11.147 1.00 0.00 H new ATOM 0 HA ASN A 72 6.156 0.849 11.369 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.428 2.697 12.936 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.124 1.439 14.118 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.934 -1.021 11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.256 -0.841 12.386 1.00 0.00 H new ATOM 1163 N LEU A 73 3.964 -0.107 12.646 1.00 0.00 N ATOM 1164 CA LEU A 73 3.106 -1.078 13.315 1.00 0.00 C ATOM 1165 C LEU A 73 3.817 -2.418 13.453 1.00 0.00 C ATOM 1166 O LEU A 73 3.718 -3.087 14.481 1.00 0.00 O ATOM 1167 CB LEU A 73 1.792 -1.236 12.547 1.00 0.00 C ATOM 1168 CG LEU A 73 0.841 -0.042 12.657 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.441 1.182 11.996 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.500 -0.358 12.032 1.00 0.00 C ATOM 0 H LEU A 73 3.585 0.258 11.772 1.00 0.00 H new ATOM 0 HA LEU A 73 2.880 -0.713 14.317 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.020 -1.406 11.495 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.279 -2.127 12.910 1.00 0.00 H new ATOM 0 HG LEU A 73 0.690 0.166 13.716 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.749 2.020 12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.382 1.435 12.485 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.624 0.973 10.942 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.157 0.507 12.124 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.362 -0.599 10.978 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.948 -1.210 12.544 1.00 0.00 H new ATOM 1182 N ILE A 74 4.551 -2.792 12.411 1.00 0.00 N ATOM 1183 CA ILE A 74 5.306 -4.040 12.406 1.00 0.00 C ATOM 1184 C ILE A 74 6.588 -3.884 11.600 1.00 0.00 C ATOM 1185 O ILE A 74 6.654 -3.088 10.664 1.00 0.00 O ATOM 1186 CB ILE A 74 4.466 -5.215 11.836 1.00 0.00 C ATOM 1187 CG1 ILE A 74 4.037 -6.158 12.963 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.239 -5.991 10.776 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.219 -7.338 12.479 1.00 0.00 C ATOM 0 H ILE A 74 4.639 -2.245 11.554 1.00 0.00 H new ATOM 0 HA ILE A 74 5.557 -4.273 13.441 1.00 0.00 H new ATOM 0 HB ILE A 74 3.580 -4.790 11.365 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.925 -6.527 13.477 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.455 -5.597 13.695 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.621 -6.806 10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.500 -5.324 9.955 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.149 -6.399 11.215 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.948 -7.966 13.328 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.314 -6.977 11.991 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.806 -7.921 11.769 1.00 0.00 H new ATOM 1201 N ASP A 75 7.600 -4.660 11.961 1.00 0.00 N ATOM 1202 CA ASP A 75 8.874 -4.617 11.262 1.00 0.00 C ATOM 1203 C ASP A 75 8.944 -5.724 10.223 1.00 0.00 C ATOM 1204 O ASP A 75 8.517 -6.850 10.472 1.00 0.00 O ATOM 1205 CB ASP A 75 10.031 -4.748 12.250 1.00 0.00 C ATOM 1206 CG ASP A 75 11.324 -4.170 11.708 1.00 0.00 C ATOM 1207 OD1 ASP A 75 11.520 -4.207 10.475 1.00 0.00 O ATOM 1208 OD2 ASP A 75 12.142 -3.681 12.516 1.00 0.00 O ATOM 0 H ASP A 75 7.563 -5.326 12.733 1.00 0.00 H new ATOM 0 HA ASP A 75 8.957 -3.655 10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.771 -4.240 13.179 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.180 -5.800 12.493 1.00 0.00 H new ATOM 1213 N GLY A 76 9.480 -5.392 9.060 1.00 0.00 N ATOM 1214 CA GLY A 76 9.591 -6.365 7.992 1.00 0.00 C ATOM 1215 C GLY A 76 8.687 -6.042 6.821 1.00 0.00 C ATOM 1216 O GLY A 76 9.020 -6.340 5.674 1.00 0.00 O ATOM 0 H GLY A 76 9.841 -4.465 8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.625 -6.407 7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.342 -7.354 8.378 1.00 0.00 H new ATOM 1220 N PHE A 77 7.536 -5.431 7.102 1.00 0.00 N ATOM 1221 CA PHE A 77 6.593 -5.077 6.043 1.00 0.00 C ATOM 1222 C PHE A 77 6.168 -3.614 6.150 1.00 0.00 C ATOM 1223 O PHE A 77 6.359 -2.972 7.185 1.00 0.00 O ATOM 1224 CB PHE A 77 5.354 -5.979 6.093 1.00 0.00 C ATOM 1225 CG PHE A 77 5.573 -7.282 6.804 1.00 0.00 C ATOM 1226 CD1 PHE A 77 6.253 -8.322 6.191 1.00 0.00 C ATOM 1227 CD2 PHE A 77 5.092 -7.466 8.083 1.00 0.00 C ATOM 1228 CE1 PHE A 77 6.446 -9.522 6.846 1.00 0.00 C ATOM 1229 CE2 PHE A 77 5.281 -8.662 8.747 1.00 0.00 C ATOM 1230 CZ PHE A 77 5.959 -9.692 8.129 1.00 0.00 C ATOM 0 H PHE A 77 7.237 -5.174 8.043 1.00 0.00 H new ATOM 0 HA PHE A 77 7.101 -5.224 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.545 -5.440 6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.026 -6.184 5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.636 -8.193 5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.560 -6.664 8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.976 -10.326 6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.898 -8.791 9.749 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.109 -10.628 8.646 1.00 0.00 H new ATOM 1240 N ASP A 78 5.587 -3.094 5.072 1.00 0.00 N ATOM 1241 CA ASP A 78 5.127 -1.709 5.032 1.00 0.00 C ATOM 1242 C ASP A 78 3.607 -1.647 5.182 1.00 0.00 C ATOM 1243 O ASP A 78 2.882 -2.388 4.519 1.00 0.00 O ATOM 1244 CB ASP A 78 5.551 -1.044 3.724 1.00 0.00 C ATOM 1245 CG ASP A 78 7.029 -0.707 3.697 1.00 0.00 C ATOM 1246 OD1 ASP A 78 7.501 -0.181 2.666 1.00 0.00 O ATOM 1247 OD2 ASP A 78 7.719 -0.968 4.707 1.00 0.00 O ATOM 0 H ASP A 78 5.423 -3.614 4.210 1.00 0.00 H new ATOM 0 HA ASP A 78 5.584 -1.171 5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.317 -1.707 2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.971 -0.133 3.579 1.00 0.00 H new ATOM 1252 N CYS A 79 3.133 -0.771 6.068 1.00 0.00 N ATOM 1253 CA CYS A 79 1.698 -0.630 6.321 1.00 0.00 C ATOM 1254 C CYS A 79 1.064 0.489 5.492 1.00 0.00 C ATOM 1255 O CYS A 79 1.082 1.654 5.889 1.00 0.00 O ATOM 1256 CB CYS A 79 1.461 -0.357 7.806 1.00 0.00 C ATOM 1257 SG CYS A 79 2.366 1.071 8.443 1.00 0.00 S ATOM 0 H CYS A 79 3.721 -0.149 6.622 1.00 0.00 H new ATOM 0 HA CYS A 79 1.225 -1.566 6.025 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.395 -0.202 7.971 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.747 -1.240 8.378 1.00 0.00 H new ATOM 0 HG CYS A 79 2.285 2.051 7.592 1.00 0.00 H new ATOM 1263 N PHE A 80 0.484 0.123 4.351 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.176 1.091 3.478 1.00 0.00 C ATOM 1265 C PHE A 80 -1.692 0.881 3.492 1.00 0.00 C ATOM 1266 O PHE A 80 -2.165 -0.250 3.370 1.00 0.00 O ATOM 1267 CB PHE A 80 0.344 0.959 2.046 1.00 0.00 C ATOM 1268 CG PHE A 80 1.749 1.455 1.855 1.00 0.00 C ATOM 1269 CD1 PHE A 80 2.807 0.563 1.781 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.008 2.812 1.739 1.00 0.00 C ATOM 1271 CE1 PHE A 80 4.099 1.016 1.597 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.299 3.268 1.556 1.00 0.00 C ATOM 1273 CZ PHE A 80 4.346 2.371 1.485 1.00 0.00 C ATOM 0 H PHE A 80 0.458 -0.838 4.009 1.00 0.00 H new ATOM 0 HA PHE A 80 0.048 2.091 3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.297 -0.089 1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.318 1.510 1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.620 -0.497 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.193 3.519 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.916 0.312 1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.490 4.327 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.355 2.727 1.342 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.453 1.966 3.632 1.00 0.00 N ATOM 1284 CA TYR A 81 -3.913 1.872 3.650 1.00 0.00 C ATOM 1285 C TYR A 81 -4.546 2.819 2.634 1.00 0.00 C ATOM 1286 O TYR A 81 -4.099 3.953 2.463 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.465 2.157 5.053 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.064 3.501 5.625 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -4.800 4.650 5.355 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -2.951 3.617 6.450 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -4.437 5.873 5.888 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -2.583 4.836 6.984 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.327 5.959 6.698 1.00 0.00 C ATOM 1294 OH TYR A 81 -2.963 7.176 7.232 1.00 0.00 O ATOM 0 H TYR A 81 -2.087 2.913 3.734 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.175 0.851 3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.553 2.101 5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.126 1.373 5.729 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.670 4.586 4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.364 2.739 6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.021 6.755 5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.715 4.908 7.623 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.159 7.065 7.781 1.00 0.00 H new ATOM 1304 N SER A 82 -5.589 2.337 1.964 1.00 0.00 N ATOM 1305 CA SER A 82 -6.297 3.124 0.960 1.00 0.00 C ATOM 1306 C SER A 82 -7.793 2.832 1.000 1.00 0.00 C ATOM 1307 O SER A 82 -8.206 1.681 0.891 1.00 0.00 O ATOM 1308 CB SER A 82 -5.759 2.809 -0.436 1.00 0.00 C ATOM 1309 OG SER A 82 -5.927 3.912 -1.310 1.00 0.00 O ATOM 0 H SER A 82 -5.964 1.398 2.100 1.00 0.00 H new ATOM 0 HA SER A 82 -6.135 4.178 1.184 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.702 2.550 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.276 1.939 -0.840 1.00 0.00 H new ATOM 0 HG SER A 82 -5.293 4.620 -1.069 1.00 0.00 H new ATOM 1315 N THR A 83 -8.608 3.872 1.153 1.00 0.00 N ATOM 1316 CA THR A 83 -10.054 3.689 1.197 1.00 0.00 C ATOM 1317 C THR A 83 -10.648 3.704 -0.206 1.00 0.00 C ATOM 1318 O THR A 83 -10.047 4.233 -1.141 1.00 0.00 O ATOM 1319 CB THR A 83 -10.717 4.765 2.055 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.603 6.035 1.437 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.130 4.871 3.445 1.00 0.00 C ATOM 0 H THR A 83 -8.296 4.839 1.247 1.00 0.00 H new ATOM 0 HA THR A 83 -10.248 2.716 1.648 1.00 0.00 H new ATOM 0 HB THR A 83 -11.760 4.462 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.034 6.712 1.999 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.647 5.654 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.249 3.920 3.964 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.070 5.116 3.375 1.00 0.00 H new ATOM 1329 N ASP A 84 -11.834 3.115 -0.346 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.513 3.057 -1.637 1.00 0.00 C ATOM 1331 C ASP A 84 -12.611 4.443 -2.267 1.00 0.00 C ATOM 1332 O ASP A 84 -12.613 5.457 -1.569 1.00 0.00 O ATOM 1333 CB ASP A 84 -13.908 2.452 -1.474 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.474 1.939 -2.785 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -14.796 0.735 -2.861 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -14.595 2.741 -3.735 1.00 0.00 O ATOM 0 H ASP A 84 -12.344 2.672 0.418 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.926 2.422 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.864 1.633 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.581 3.203 -1.060 1.00 0.00 H new ATOM 1341 N ASP A 85 -12.684 4.479 -3.595 1.00 0.00 N ATOM 1342 CA ASP A 85 -12.770 5.739 -4.324 1.00 0.00 C ATOM 1343 C ASP A 85 -14.130 6.414 -4.132 1.00 0.00 C ATOM 1344 O ASP A 85 -14.317 7.564 -4.529 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.514 5.503 -5.814 1.00 0.00 C ATOM 1346 CG ASP A 85 -11.505 6.480 -6.388 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -11.746 7.703 -6.296 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -10.476 6.023 -6.928 1.00 0.00 O ATOM 0 H ASP A 85 -12.685 3.649 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.006 6.405 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.154 4.485 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -13.453 5.592 -6.360 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.078 5.701 -3.528 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.411 6.254 -3.307 1.00 0.00 C ATOM 1355 C HIS A 86 -17.142 5.530 -2.177 1.00 0.00 C ATOM 1356 O HIS A 86 -18.371 5.550 -2.112 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.235 6.167 -4.591 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.402 4.766 -5.096 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -16.915 3.664 -4.429 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -18.007 4.291 -6.211 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -17.209 2.572 -5.108 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -17.874 2.925 -6.193 1.00 0.00 N ATOM 0 H HIS A 86 -14.950 4.749 -3.186 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.291 7.298 -3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.219 6.601 -4.413 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.756 6.769 -5.363 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.405 3.688 -3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -18.501 4.877 -6.972 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.950 1.562 -4.825 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.388 4.888 -1.289 1.00 0.00 N ATOM 1372 CA ASP A 87 -16.983 4.162 -0.172 1.00 0.00 C ATOM 1373 C ASP A 87 -16.035 4.115 1.025 1.00 0.00 C ATOM 1374 O ASP A 87 -15.129 3.282 1.072 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.351 2.740 -0.607 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.812 2.419 -0.359 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.648 2.753 -1.227 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.122 1.837 0.701 1.00 0.00 O ATOM 0 H ASP A 87 -15.369 4.856 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.886 4.691 0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.130 2.619 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -16.728 2.026 -0.068 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.234 5.001 2.017 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.391 5.041 3.218 1.00 0.00 C ATOM 1385 C PRO A 88 -15.552 3.786 4.072 1.00 0.00 C ATOM 1386 O PRO A 88 -14.745 3.523 4.962 1.00 0.00 O ATOM 1387 CB PRO A 88 -15.895 6.273 3.971 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.290 6.475 3.488 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.297 6.023 2.055 1.00 0.00 C ATOM 0 HA PRO A 88 -14.330 5.087 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.869 6.115 5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.275 7.145 3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -17.997 5.898 4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.584 7.521 3.569 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.264 5.609 1.768 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.088 6.847 1.372 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.591 3.003 3.784 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.848 1.769 4.513 1.00 0.00 C ATOM 1399 C LYS A 89 -16.294 0.578 3.736 1.00 0.00 C ATOM 1400 O LYS A 89 -16.801 -0.538 3.839 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.346 1.592 4.755 1.00 0.00 C ATOM 1402 CG LYS A 89 -19.005 2.801 5.400 1.00 0.00 C ATOM 1403 CD LYS A 89 -19.798 2.413 6.640 1.00 0.00 C ATOM 1404 CE LYS A 89 -19.653 3.450 7.744 1.00 0.00 C ATOM 1405 NZ LYS A 89 -18.824 2.943 8.873 1.00 0.00 N ATOM 0 H LYS A 89 -17.268 3.205 3.048 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.347 1.824 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.837 1.385 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.502 0.721 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.242 3.531 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.667 3.282 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.851 2.302 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.456 1.444 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.199 4.354 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.640 3.728 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.748 3.678 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.270 2.095 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.874 2.702 8.525 1.00 0.00 H new ATOM 1419 N THR A 90 -15.246 0.836 2.965 1.00 0.00 N ATOM 1420 CA THR A 90 -14.594 -0.189 2.165 1.00 0.00 C ATOM 1421 C THR A 90 -13.138 0.184 1.957 1.00 0.00 C ATOM 1422 O THR A 90 -12.735 0.609 0.876 1.00 0.00 O ATOM 1423 CB THR A 90 -15.308 -0.350 0.820 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.604 -0.891 1.002 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.572 -1.246 -0.154 1.00 0.00 C ATOM 0 H THR A 90 -14.825 1.761 2.877 1.00 0.00 H new ATOM 0 HA THR A 90 -14.645 -1.143 2.690 1.00 0.00 H new ATOM 0 HB THR A 90 -15.351 0.655 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 90 -16.832 -0.881 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.136 -1.313 -1.084 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.586 -0.829 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.464 -2.241 0.278 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.362 0.036 3.017 1.00 0.00 N ATOM 1434 CA VAL A 91 -10.947 0.364 2.989 1.00 0.00 C ATOM 1435 C VAL A 91 -10.150 -0.673 2.205 1.00 0.00 C ATOM 1436 O VAL A 91 -10.706 -1.638 1.685 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.361 0.496 4.415 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.272 1.558 4.450 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.459 0.823 5.421 1.00 0.00 C ATOM 0 H VAL A 91 -12.693 -0.313 3.917 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.862 1.328 2.488 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.918 -0.461 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.872 1.636 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.472 1.281 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.691 2.519 4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.025 0.911 6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.934 1.765 5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.203 0.027 5.419 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.844 -0.458 2.132 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.942 -1.356 1.416 1.00 0.00 C ATOM 1451 C TYR A 92 -6.531 -1.219 1.972 1.00 0.00 C ATOM 1452 O TYR A 92 -5.802 -0.293 1.617 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.928 -1.043 -0.086 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.275 -1.150 -0.767 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -9.624 -2.291 -1.479 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -10.192 -0.108 -0.707 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -10.849 -2.390 -2.111 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -11.419 -0.201 -1.336 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.743 -1.343 -2.035 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.964 -1.440 -2.664 1.00 0.00 O ATOM 0 H TYR A 92 -8.379 0.340 2.565 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.299 -2.376 1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.543 -0.033 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.232 -1.722 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.927 -3.114 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.942 0.789 -0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.105 -3.283 -2.662 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.121 0.618 -1.280 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.421 -0.574 -2.627 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.152 -2.135 2.851 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.828 -2.097 3.459 1.00 0.00 C ATOM 1472 C VAL A 93 -3.930 -3.193 2.892 1.00 0.00 C ATOM 1473 O VAL A 93 -4.339 -4.348 2.771 1.00 0.00 O ATOM 1474 CB VAL A 93 -4.925 -2.232 4.992 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.551 -2.406 5.622 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.632 -1.018 5.574 1.00 0.00 C ATOM 0 H VAL A 93 -6.739 -2.911 3.159 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.383 -1.131 3.220 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.505 -3.126 5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.655 -2.498 6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.080 -3.305 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.932 -1.539 5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.697 -1.120 6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.070 -0.117 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.636 -0.946 5.155 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.706 -2.815 2.543 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.745 -3.755 1.983 1.00 0.00 C ATOM 1488 C CYS A 94 -0.414 -3.684 2.722 1.00 0.00 C ATOM 1489 O CYS A 94 0.218 -2.627 2.797 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.531 -3.472 0.495 1.00 0.00 C ATOM 1491 SG CYS A 94 -0.765 -1.872 0.150 1.00 0.00 S ATOM 0 H CYS A 94 -2.356 -1.862 2.639 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.150 -4.760 2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.907 -4.260 0.073 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.493 -3.519 -0.015 1.00 0.00 H new ATOM 0 HG CYS A 94 0.288 -1.725 0.898 1.00 0.00 H new ATOM 1497 N PHE A 95 0.006 -4.822 3.259 1.00 0.00 N ATOM 1498 CA PHE A 95 1.265 -4.913 3.983 1.00 0.00 C ATOM 1499 C PHE A 95 2.381 -5.321 3.026 1.00 0.00 C ATOM 1500 O PHE A 95 2.667 -6.507 2.872 1.00 0.00 O ATOM 1501 CB PHE A 95 1.155 -5.934 5.115 1.00 0.00 C ATOM 1502 CG PHE A 95 0.872 -5.330 6.457 1.00 0.00 C ATOM 1503 CD1 PHE A 95 -0.364 -5.502 7.059 1.00 0.00 C ATOM 1504 CD2 PHE A 95 1.844 -4.602 7.124 1.00 0.00 C ATOM 1505 CE1 PHE A 95 -0.626 -4.958 8.301 1.00 0.00 C ATOM 1506 CE2 PHE A 95 1.587 -4.053 8.366 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.350 -4.233 8.956 1.00 0.00 C ATOM 0 H PHE A 95 -0.511 -5.699 3.206 1.00 0.00 H new ATOM 0 HA PHE A 95 1.495 -3.938 4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.364 -6.644 4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.085 -6.500 5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.131 -6.068 6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.813 -4.462 6.668 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.593 -5.099 8.760 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.351 -3.484 8.875 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.147 -3.807 9.928 1.00 0.00 H new ATOM 1517 N THR A 96 3.000 -4.342 2.378 1.00 0.00 N ATOM 1518 CA THR A 96 4.072 -4.625 1.430 1.00 0.00 C ATOM 1519 C THR A 96 5.360 -4.984 2.157 1.00 0.00 C ATOM 1520 O THR A 96 5.366 -5.167 3.369 1.00 0.00 O ATOM 1521 CB THR A 96 4.307 -3.430 0.502 1.00 0.00 C ATOM 1522 OG1 THR A 96 3.562 -2.305 0.928 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.932 -3.715 -0.936 1.00 0.00 C ATOM 0 H THR A 96 2.781 -3.352 2.490 1.00 0.00 H new ATOM 0 HA THR A 96 3.766 -5.480 0.827 1.00 0.00 H new ATOM 0 HB THR A 96 5.377 -3.230 0.552 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.166 -1.545 1.064 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.121 -2.830 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.529 -4.546 -1.310 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.875 -3.974 -0.992 1.00 0.00 H new ATOM 1531 N LEU A 97 6.451 -5.080 1.408 1.00 0.00 N ATOM 1532 CA LEU A 97 7.743 -5.413 1.989 1.00 0.00 C ATOM 1533 C LEU A 97 8.636 -4.179 2.046 1.00 0.00 C ATOM 1534 O LEU A 97 8.853 -3.515 1.031 1.00 0.00 O ATOM 1535 CB LEU A 97 8.412 -6.521 1.188 1.00 0.00 C ATOM 1536 CG LEU A 97 7.710 -7.874 1.278 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.247 -8.814 0.224 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.875 -8.477 2.667 1.00 0.00 C ATOM 0 H LEU A 97 6.466 -4.932 0.399 1.00 0.00 H new ATOM 0 HA LEU A 97 7.585 -5.769 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.460 -6.219 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.439 -6.634 1.534 1.00 0.00 H new ATOM 0 HG LEU A 97 6.646 -7.722 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.738 -9.775 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.074 -8.389 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.317 -8.958 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.367 -9.440 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.935 -8.616 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.441 -7.806 3.409 1.00 0.00 H new ATOM 1550 N VAL A 98 9.148 -3.874 3.237 1.00 0.00 N ATOM 1551 CA VAL A 98 10.018 -2.713 3.434 1.00 0.00 C ATOM 1552 C VAL A 98 11.018 -2.559 2.290 1.00 0.00 C ATOM 1553 O VAL A 98 11.420 -1.447 1.949 1.00 0.00 O ATOM 1554 CB VAL A 98 10.792 -2.791 4.767 1.00 0.00 C ATOM 1555 CG1 VAL A 98 10.020 -2.085 5.872 1.00 0.00 C ATOM 1556 CG2 VAL A 98 11.078 -4.234 5.151 1.00 0.00 C ATOM 0 H VAL A 98 8.975 -4.416 4.084 1.00 0.00 H new ATOM 0 HA VAL A 98 9.360 -1.844 3.457 1.00 0.00 H new ATOM 0 HB VAL A 98 11.748 -2.285 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.580 -2.149 6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.879 -1.038 5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.048 -2.562 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.624 -4.258 6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.138 -4.774 5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.677 -4.706 4.372 1.00 0.00 H new ATOM 1566 N ASP A 99 11.408 -3.682 1.698 1.00 0.00 N ATOM 1567 CA ASP A 99 12.352 -3.673 0.584 1.00 0.00 C ATOM 1568 C ASP A 99 11.618 -3.525 -0.749 1.00 0.00 C ATOM 1569 O ASP A 99 12.009 -4.122 -1.753 1.00 0.00 O ATOM 1570 CB ASP A 99 13.183 -4.958 0.585 1.00 0.00 C ATOM 1571 CG ASP A 99 14.627 -4.712 0.196 1.00 0.00 C ATOM 1572 OD1 ASP A 99 15.114 -5.387 -0.736 1.00 0.00 O ATOM 1573 OD2 ASP A 99 15.272 -3.848 0.825 1.00 0.00 O ATOM 0 H ASP A 99 11.086 -4.611 1.970 1.00 0.00 H new ATOM 0 HA ASP A 99 13.018 -2.819 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.148 -5.409 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.740 -5.675 -0.107 1.00 0.00 H new ATOM 1578 N ILE A 100 10.556 -2.727 -0.749 1.00 0.00 N ATOM 1579 CA ILE A 100 9.764 -2.493 -1.952 1.00 0.00 C ATOM 1580 C ILE A 100 9.360 -1.022 -2.049 1.00 0.00 C ATOM 1581 O ILE A 100 8.836 -0.453 -1.092 1.00 0.00 O ATOM 1582 CB ILE A 100 8.494 -3.374 -1.967 1.00 0.00 C ATOM 1583 CG1 ILE A 100 8.880 -4.853 -2.049 1.00 0.00 C ATOM 1584 CG2 ILE A 100 7.578 -2.992 -3.125 1.00 0.00 C ATOM 1585 CD1 ILE A 100 7.691 -5.783 -2.147 1.00 0.00 C ATOM 0 H ILE A 100 10.222 -2.228 0.076 1.00 0.00 H new ATOM 0 HA ILE A 100 10.384 -2.758 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 100 7.947 -3.206 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.522 -5.005 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 100 9.466 -5.117 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.692 -3.627 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.278 -1.949 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.108 -3.127 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.039 -6.814 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.059 -5.660 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.117 -5.546 -3.043 1.00 0.00 H new ATOM 1597 N PRO A 101 9.599 -0.381 -3.209 1.00 0.00 N ATOM 1598 CA PRO A 101 9.252 1.029 -3.411 1.00 0.00 C ATOM 1599 C PRO A 101 7.827 1.345 -2.972 1.00 0.00 C ATOM 1600 O PRO A 101 6.949 0.483 -3.008 1.00 0.00 O ATOM 1601 CB PRO A 101 9.398 1.214 -4.922 1.00 0.00 C ATOM 1602 CG PRO A 101 10.406 0.199 -5.332 1.00 0.00 C ATOM 1603 CD PRO A 101 10.219 -0.975 -4.409 1.00 0.00 C ATOM 0 HA PRO A 101 9.884 1.693 -2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.448 1.058 -5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 101 9.730 2.223 -5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.261 -0.096 -6.371 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.417 0.600 -5.252 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.579 -1.737 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.169 -1.454 -4.173 1.00 0.00 H new ATOM 1611 N LYS A 102 7.603 2.588 -2.561 1.00 0.00 N ATOM 1612 CA LYS A 102 6.284 3.024 -2.120 1.00 0.00 C ATOM 1613 C LYS A 102 5.417 3.393 -3.316 1.00 0.00 C ATOM 1614 O LYS A 102 4.937 4.521 -3.428 1.00 0.00 O ATOM 1615 CB LYS A 102 6.412 4.220 -1.173 1.00 0.00 C ATOM 1616 CG LYS A 102 5.101 4.611 -0.506 1.00 0.00 C ATOM 1617 CD LYS A 102 4.657 6.008 -0.912 1.00 0.00 C ATOM 1618 CE LYS A 102 4.271 6.848 0.296 1.00 0.00 C ATOM 1619 NZ LYS A 102 5.322 7.843 0.642 1.00 0.00 N ATOM 0 H LYS A 102 8.320 3.313 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 102 5.808 2.201 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.147 3.986 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.796 5.075 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.328 3.891 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.216 4.566 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.462 6.502 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.808 5.937 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.334 7.366 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.095 6.195 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.019 8.394 1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.210 7.348 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.473 8.483 -0.164 1.00 0.00 H new ATOM 1633 N ILE A 103 5.227 2.435 -4.218 1.00 0.00 N ATOM 1634 CA ILE A 103 4.425 2.664 -5.414 1.00 0.00 C ATOM 1635 C ILE A 103 3.626 1.420 -5.808 1.00 0.00 C ATOM 1636 O ILE A 103 2.492 1.536 -6.272 1.00 0.00 O ATOM 1637 CB ILE A 103 5.312 3.136 -6.589 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.497 3.265 -7.882 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.488 2.191 -6.783 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.674 4.533 -7.952 1.00 0.00 C ATOM 0 H ILE A 103 5.617 1.495 -4.144 1.00 0.00 H new ATOM 0 HA ILE A 103 3.711 3.453 -5.180 1.00 0.00 H new ATOM 0 HB ILE A 103 5.701 4.124 -6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.175 3.234 -8.735 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.833 2.405 -7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.101 2.539 -7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.089 2.167 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.118 1.189 -7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.124 4.558 -8.893 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.971 4.557 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.334 5.399 -7.895 1.00 0.00 H new ATOM 1652 N LEU A 104 4.198 0.234 -5.612 1.00 0.00 N ATOM 1653 CA LEU A 104 3.484 -0.997 -5.946 1.00 0.00 C ATOM 1654 C LEU A 104 2.203 -1.086 -5.125 1.00 0.00 C ATOM 1655 O LEU A 104 1.105 -1.048 -5.678 1.00 0.00 O ATOM 1656 CB LEU A 104 4.354 -2.248 -5.720 1.00 0.00 C ATOM 1657 CG LEU A 104 3.581 -3.580 -5.686 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.362 -4.113 -7.094 1.00 0.00 C ATOM 1659 CD2 LEU A 104 4.313 -4.612 -4.836 1.00 0.00 C ATOM 0 H LEU A 104 5.135 0.099 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 104 3.237 -0.964 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.102 -2.299 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.892 -2.133 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 104 2.608 -3.391 -5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.814 -5.054 -7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.788 -3.389 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.326 -4.279 -7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.747 -5.544 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.303 -4.792 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.413 -4.239 -3.817 1.00 0.00 H new ATOM 1671 N PRO A 105 2.324 -1.184 -3.783 1.00 0.00 N ATOM 1672 CA PRO A 105 1.169 -1.258 -2.888 1.00 0.00 C ATOM 1673 C PRO A 105 0.110 -0.230 -3.258 1.00 0.00 C ATOM 1674 O PRO A 105 -1.092 -0.487 -3.158 1.00 0.00 O ATOM 1675 CB PRO A 105 1.756 -0.955 -1.497 1.00 0.00 C ATOM 1676 CG PRO A 105 3.187 -0.583 -1.724 1.00 0.00 C ATOM 1677 CD PRO A 105 3.582 -1.206 -3.031 1.00 0.00 C ATOM 0 HA PRO A 105 0.671 -2.226 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.214 -0.142 -1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.678 -1.824 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.307 0.500 -1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.817 -0.948 -0.913 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.365 -0.637 -3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.959 -2.220 -2.900 1.00 0.00 H new ATOM 1685 N ILE A 106 0.574 0.930 -3.706 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.316 2.001 -4.116 1.00 0.00 C ATOM 1687 C ILE A 106 -1.147 1.560 -5.315 1.00 0.00 C ATOM 1688 O ILE A 106 -2.350 1.831 -5.392 1.00 0.00 O ATOM 1689 CB ILE A 106 0.485 3.274 -4.458 1.00 0.00 C ATOM 1690 CG1 ILE A 106 1.123 3.861 -3.196 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.389 4.312 -5.142 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.373 3.131 -2.752 1.00 0.00 C ATOM 0 H ILE A 106 1.566 1.150 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.986 2.231 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 106 1.276 2.993 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.368 4.908 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.393 3.840 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.206 5.196 -5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.790 3.897 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.211 4.588 -4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.770 3.602 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.130 2.090 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.120 3.174 -3.544 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.500 0.861 -6.240 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.170 0.362 -7.431 1.00 0.00 C ATOM 1706 C ARG A 107 -1.963 -0.904 -7.117 1.00 0.00 C ATOM 1707 O ARG A 107 -2.871 -1.274 -7.859 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.150 0.085 -8.537 1.00 0.00 C ATOM 1709 CG ARG A 107 -0.105 1.167 -9.604 1.00 0.00 C ATOM 1710 CD ARG A 107 0.313 2.506 -9.022 1.00 0.00 C ATOM 1711 NE ARG A 107 0.165 3.595 -9.988 1.00 0.00 N ATOM 1712 CZ ARG A 107 0.963 3.765 -11.041 1.00 0.00 C ATOM 1713 NH1 ARG A 107 1.962 2.923 -11.269 1.00 0.00 N ATOM 1714 NH2 ARG A 107 0.758 4.781 -11.868 1.00 0.00 N ATOM 0 H ARG A 107 0.491 0.627 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.866 1.126 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.839 -0.016 -8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.386 -0.869 -9.008 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.593 0.876 -10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.086 1.262 -10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.289 2.721 -8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 107 1.351 2.451 -8.695 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.593 4.263 -9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.123 2.139 -10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 107 2.569 3.059 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.010 5.431 -11.697 1.00 0.00 H new ATOM 0 HH22 ARG A 107 1.368 4.913 -12.675 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.623 -1.569 -6.010 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.323 -2.786 -5.612 1.00 0.00 C ATOM 1730 C ILE A 108 -3.746 -2.468 -5.192 1.00 0.00 C ATOM 1731 O ILE A 108 -4.694 -3.093 -5.663 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.612 -3.514 -4.458 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.120 -3.619 -4.734 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.208 -4.900 -4.260 1.00 0.00 C ATOM 1735 CD1 ILE A 108 0.208 -4.465 -5.941 1.00 0.00 C ATOM 0 H ILE A 108 -0.873 -1.286 -5.380 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.328 -3.444 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.757 -2.937 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.286 -2.618 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.375 -4.040 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.695 -5.403 -3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.268 -4.810 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.088 -5.481 -5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.289 -4.497 -6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.169 -5.477 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.259 -4.033 -6.826 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.896 -1.483 -4.313 1.00 0.00 N ATOM 1748 CA LEU A 109 -5.217 -1.080 -3.854 1.00 0.00 C ATOM 1749 C LEU A 109 -5.939 -0.346 -4.969 1.00 0.00 C ATOM 1750 O LEU A 109 -7.069 -0.688 -5.319 1.00 0.00 O ATOM 1751 CB LEU A 109 -5.117 -0.201 -2.604 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.829 -0.948 -1.292 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.927 -2.459 -1.480 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.460 -0.564 -0.754 1.00 0.00 C ATOM 0 H LEU A 109 -3.124 -0.953 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.785 -1.971 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.331 0.537 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.052 0.348 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.586 -0.654 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.718 -2.958 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.931 -2.720 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.202 -2.780 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.271 -1.101 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.695 -0.824 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.431 0.509 -0.565 1.00 0.00 H new ATOM 1766 N SER A 110 -5.267 0.638 -5.557 1.00 0.00 N ATOM 1767 CA SER A 110 -5.845 1.379 -6.667 1.00 0.00 C ATOM 1768 C SER A 110 -6.112 0.417 -7.819 1.00 0.00 C ATOM 1769 O SER A 110 -7.021 0.622 -8.623 1.00 0.00 O ATOM 1770 CB SER A 110 -4.908 2.502 -7.116 1.00 0.00 C ATOM 1771 OG SER A 110 -5.640 3.612 -7.606 1.00 0.00 O ATOM 0 H SER A 110 -4.331 0.937 -5.285 1.00 0.00 H new ATOM 0 HA SER A 110 -6.782 1.835 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.283 2.815 -6.279 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.238 2.132 -7.893 1.00 0.00 H new ATOM 0 HG SER A 110 -5.018 4.316 -7.885 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.320 -0.653 -7.866 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.486 -1.661 -8.890 1.00 0.00 C ATOM 1779 C GLY A 111 -6.642 -2.582 -8.562 1.00 0.00 C ATOM 1780 O GLY A 111 -7.448 -2.910 -9.432 1.00 0.00 O ATOM 0 H GLY A 111 -4.563 -0.836 -7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.661 -1.181 -9.853 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.569 -2.242 -8.985 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.747 -2.974 -7.294 1.00 0.00 N ATOM 1785 CA LEU A 112 -7.844 -3.830 -6.858 1.00 0.00 C ATOM 1786 C LEU A 112 -9.159 -3.125 -7.154 1.00 0.00 C ATOM 1787 O LEU A 112 -10.184 -3.763 -7.394 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.740 -4.147 -5.357 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.668 -5.172 -4.960 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.272 -5.000 -3.502 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -7.161 -6.591 -5.196 1.00 0.00 C ATOM 0 H LEU A 112 -6.091 -2.714 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.794 -4.775 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.542 -3.218 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.708 -4.512 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.793 -4.997 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.511 -5.736 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.873 -3.997 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.147 -5.143 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.384 -7.299 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.055 -6.770 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.398 -6.723 -6.252 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.106 -1.794 -7.155 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.274 -0.985 -7.447 1.00 0.00 C ATOM 1805 C GLN A 113 -10.548 -0.977 -8.946 1.00 0.00 C ATOM 1806 O GLN A 113 -11.658 -0.660 -9.379 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.071 0.447 -6.944 1.00 0.00 C ATOM 1808 CG GLN A 113 -11.338 1.085 -6.396 1.00 0.00 C ATOM 1809 CD GLN A 113 -11.234 1.412 -4.918 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -11.716 0.664 -4.069 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -10.602 2.538 -4.606 1.00 0.00 N ATOM 0 H GLN A 113 -8.262 -1.258 -6.956 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.132 -1.418 -6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.309 0.445 -6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -9.690 1.060 -7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.551 1.998 -6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.179 0.411 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.218 3.128 -5.344 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -10.501 2.812 -3.629 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.539 -1.338 -9.745 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.703 -1.378 -11.188 1.00 0.00 C ATOM 1822 C GLU A 114 -10.550 -2.581 -11.587 1.00 0.00 C ATOM 1823 O GLU A 114 -11.150 -2.597 -12.660 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.343 -1.428 -11.889 1.00 0.00 C ATOM 1825 CG GLU A 114 -7.924 -0.101 -12.499 1.00 0.00 C ATOM 1826 CD GLU A 114 -6.509 0.294 -12.122 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -6.326 1.405 -11.578 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -5.583 -0.506 -12.370 1.00 0.00 O ATOM 0 H GLU A 114 -8.611 -1.603 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.214 -0.468 -11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.585 -1.744 -11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.375 -2.185 -12.673 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.003 -0.163 -13.584 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.614 0.678 -12.174 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.599 -3.588 -10.715 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.380 -4.781 -10.991 1.00 0.00 C ATOM 1837 C TYR A 115 -12.847 -4.567 -10.608 1.00 0.00 C ATOM 1838 O TYR A 115 -13.625 -4.055 -11.411 1.00 0.00 O ATOM 1839 CB TYR A 115 -10.791 -5.988 -10.261 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.468 -6.443 -10.838 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -9.312 -7.725 -11.347 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -8.377 -5.584 -10.876 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -8.105 -8.140 -11.877 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -7.168 -5.990 -11.404 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.037 -7.268 -11.904 1.00 0.00 C ATOM 1846 OH TYR A 115 -5.835 -7.675 -12.432 1.00 0.00 O ATOM 0 H TYR A 115 -10.109 -3.597 -9.820 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.339 -4.981 -12.062 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.655 -5.738 -9.209 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.502 -6.813 -10.303 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -10.147 -8.409 -11.329 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.476 -4.582 -10.486 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -7.999 -9.141 -12.268 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.329 -5.310 -11.425 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.873 -7.623 -13.410 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.212 -4.949 -9.378 1.00 0.00 N ATOM 1857 CA GLU A 116 -14.585 -4.791 -8.881 1.00 0.00 C ATOM 1858 C GLU A 116 -14.878 -5.780 -7.751 1.00 0.00 C ATOM 1859 O GLU A 116 -15.786 -5.563 -6.948 1.00 0.00 O ATOM 1860 CB GLU A 116 -15.613 -4.986 -10.007 1.00 0.00 C ATOM 1861 CG GLU A 116 -17.044 -5.158 -9.521 1.00 0.00 C ATOM 1862 CD GLU A 116 -18.068 -4.852 -10.595 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -17.840 -5.242 -11.761 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -19.097 -4.224 -10.273 1.00 0.00 O ATOM 0 H GLU A 116 -12.572 -5.372 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.671 -3.774 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.569 -4.127 -10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.332 -5.861 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.184 -6.181 -9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.214 -4.504 -8.666 1.00 0.00 H new ATOM 1871 N SER A 117 -14.120 -6.872 -7.702 1.00 0.00 N ATOM 1872 CA SER A 117 -14.323 -7.893 -6.678 1.00 0.00 C ATOM 1873 C SER A 117 -13.414 -7.675 -5.472 1.00 0.00 C ATOM 1874 O SER A 117 -13.790 -6.980 -4.528 1.00 0.00 O ATOM 1875 CB SER A 117 -14.105 -9.287 -7.273 1.00 0.00 C ATOM 1876 OG SER A 117 -15.258 -9.732 -7.965 1.00 0.00 O ATOM 0 H SER A 117 -13.363 -7.072 -8.356 1.00 0.00 H new ATOM 0 HA SER A 117 -15.352 -7.813 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.254 -9.266 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.860 -9.991 -6.478 1.00 0.00 H new ATOM 0 HG SER A 117 -15.093 -10.623 -8.337 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.226 -8.281 -5.495 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.274 -8.166 -4.391 1.00 0.00 C ATOM 1884 C ASN A 118 -11.989 -8.251 -3.045 1.00 0.00 C ATOM 1885 O ASN A 118 -11.575 -7.626 -2.068 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.495 -6.850 -4.489 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.401 -5.652 -4.695 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -11.517 -5.132 -5.803 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -12.050 -5.209 -3.623 1.00 0.00 N ATOM 0 H ASN A 118 -11.900 -8.859 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 118 -10.573 -8.997 -4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.912 -6.708 -3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -9.786 -6.912 -5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.675 -4.406 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -11.923 -5.672 -2.723 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.084 -9.006 -3.011 1.00 0.00 N ATOM 1897 CA ALA A 119 -13.879 -9.146 -1.795 1.00 0.00 C ATOM 1898 C ALA A 119 -13.803 -10.546 -1.184 1.00 0.00 C ATOM 1899 O ALA A 119 -14.779 -11.017 -0.600 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.325 -8.788 -2.092 1.00 0.00 C ATOM 0 H ALA A 119 -13.440 -9.529 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.460 -8.462 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -15.919 -8.892 -1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.380 -7.758 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.715 -9.456 -2.860 1.00 0.00 H new ATOM 1906 N THR A 120 -12.653 -11.208 -1.294 1.00 0.00 N ATOM 1907 CA THR A 120 -12.502 -12.539 -0.718 1.00 0.00 C ATOM 1908 C THR A 120 -11.058 -12.780 -0.303 1.00 0.00 C ATOM 1909 O THR A 120 -10.136 -12.176 -0.850 1.00 0.00 O ATOM 1910 CB THR A 120 -12.967 -13.626 -1.698 1.00 0.00 C ATOM 1911 OG1 THR A 120 -11.861 -14.310 -2.264 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.812 -13.098 -2.840 1.00 0.00 C ATOM 0 H THR A 120 -11.825 -10.850 -1.769 1.00 0.00 H new ATOM 0 HA THR A 120 -13.134 -12.593 0.168 1.00 0.00 H new ATOM 0 HB THR A 120 -13.581 -14.297 -1.097 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.179 -15.096 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.102 -13.924 -3.490 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.706 -12.619 -2.440 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.236 -12.371 -3.413 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.860 -13.672 0.661 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.518 -13.989 1.138 1.00 0.00 C ATOM 1922 C ASN A 121 -8.759 -14.842 0.133 1.00 0.00 C ATOM 1923 O ASN A 121 -7.799 -15.527 0.488 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.586 -14.703 2.489 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.487 -13.988 3.477 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -11.372 -14.597 4.080 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -10.267 -12.691 3.650 1.00 0.00 N ATOM 0 H ASN A 121 -11.608 -14.187 1.126 1.00 0.00 H new ATOM 0 HA ASN A 121 -8.979 -13.050 1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -9.949 -15.720 2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -8.582 -14.780 2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.842 -12.159 4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -9.523 -12.226 3.130 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.174 -14.784 -1.125 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.516 -15.533 -2.173 1.00 0.00 C ATOM 1936 C GLU A 122 -8.950 -15.000 -3.524 1.00 0.00 C ATOM 1937 O GLU A 122 -8.939 -15.720 -4.523 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.844 -17.024 -2.060 1.00 0.00 C ATOM 1939 CG GLU A 122 -10.333 -17.315 -1.971 1.00 0.00 C ATOM 1940 CD GLU A 122 -10.627 -18.685 -1.396 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -11.493 -19.390 -1.953 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -9.989 -19.054 -0.387 1.00 0.00 O ATOM 0 H GLU A 122 -9.966 -14.223 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.437 -15.415 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.432 -17.545 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.350 -17.430 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -10.811 -16.556 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.774 -17.240 -2.965 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.340 -13.726 -3.549 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.782 -13.099 -4.769 1.00 0.00 C ATOM 1951 C LEU A 123 -9.003 -11.817 -4.996 1.00 0.00 C ATOM 1952 O LEU A 123 -8.424 -11.609 -6.061 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.275 -12.821 -4.684 1.00 0.00 C ATOM 1954 CG LEU A 123 -11.922 -12.427 -5.994 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.429 -12.398 -5.834 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.390 -11.083 -6.444 1.00 0.00 C ATOM 0 H LEU A 123 -9.355 -13.117 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.601 -13.764 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.775 -13.711 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.441 -12.025 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.677 -13.162 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -13.890 -12.114 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.783 -13.386 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.699 -11.673 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -11.859 -10.804 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -11.617 -10.330 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.310 -11.146 -6.580 1.00 0.00 H new ATOM 1968 N LEU A 124 -8.958 -10.972 -3.975 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.209 -9.732 -4.060 1.00 0.00 C ATOM 1970 C LEU A 124 -6.771 -10.056 -4.435 1.00 0.00 C ATOM 1971 O LEU A 124 -6.184 -9.422 -5.312 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.284 -8.982 -2.732 1.00 0.00 C ATOM 1973 CG LEU A 124 -6.996 -8.943 -1.906 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -6.784 -7.556 -1.337 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -7.042 -9.988 -0.802 1.00 0.00 C ATOM 0 H LEU A 124 -9.430 -11.124 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.636 -9.085 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.593 -7.956 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.067 -9.437 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.152 -9.178 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -5.865 -7.540 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.708 -6.836 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.627 -7.292 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.119 -9.947 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.890 -9.788 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.150 -10.979 -1.243 1.00 0.00 H new ATOM 1987 N SER A 125 -6.219 -11.076 -3.776 1.00 0.00 N ATOM 1988 CA SER A 125 -4.859 -11.516 -4.052 1.00 0.00 C ATOM 1989 C SER A 125 -4.646 -11.660 -5.556 1.00 0.00 C ATOM 1990 O SER A 125 -3.539 -11.471 -6.068 1.00 0.00 O ATOM 1991 CB SER A 125 -4.590 -12.857 -3.363 1.00 0.00 C ATOM 1992 OG SER A 125 -5.456 -13.864 -3.856 1.00 0.00 O ATOM 0 H SER A 125 -6.696 -11.610 -3.049 1.00 0.00 H new ATOM 0 HA SER A 125 -4.166 -10.769 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.553 -13.152 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.726 -12.751 -2.287 1.00 0.00 H new ATOM 0 HG SER A 125 -5.264 -14.711 -3.402 1.00 0.00 H new ATOM 1998 N SER A 126 -5.727 -11.995 -6.256 1.00 0.00 N ATOM 1999 CA SER A 126 -5.683 -12.171 -7.697 1.00 0.00 C ATOM 2000 C SER A 126 -5.281 -10.890 -8.396 1.00 0.00 C ATOM 2001 O SER A 126 -4.311 -10.861 -9.155 1.00 0.00 O ATOM 2002 CB SER A 126 -7.053 -12.611 -8.202 1.00 0.00 C ATOM 2003 OG SER A 126 -6.938 -13.517 -9.284 1.00 0.00 O ATOM 0 H SER A 126 -6.646 -12.150 -5.842 1.00 0.00 H new ATOM 0 HA SER A 126 -4.938 -12.934 -7.921 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.608 -13.080 -7.390 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.625 -11.738 -8.516 1.00 0.00 H new ATOM 0 HG SER A 126 -7.832 -13.782 -9.585 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.028 -9.834 -8.142 1.00 0.00 N ATOM 2010 CA HIS A 127 -5.743 -8.553 -8.754 1.00 0.00 C ATOM 2011 C HIS A 127 -4.354 -8.093 -8.353 1.00 0.00 C ATOM 2012 O HIS A 127 -3.643 -7.488 -9.141 1.00 0.00 O ATOM 2013 CB HIS A 127 -6.787 -7.508 -8.365 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.195 -8.023 -8.374 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -9.261 -7.301 -7.881 1.00 0.00 N ATOM 2016 CD2 HIS A 127 -8.712 -9.190 -8.829 1.00 0.00 C ATOM 2017 CE1 HIS A 127 -10.372 -8.001 -8.032 1.00 0.00 C ATOM 2018 NE2 HIS A 127 -10.065 -9.151 -8.605 1.00 0.00 N ATOM 0 H HIS A 127 -6.835 -9.838 -7.518 1.00 0.00 H new ATOM 0 HA HIS A 127 -5.784 -8.671 -9.837 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -6.555 -7.130 -7.369 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -6.715 -6.664 -9.051 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -9.202 -6.372 -7.465 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -8.161 -10.000 -9.284 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -11.362 -7.686 -7.737 1.00 0.00 H new ATOM 2027 N VAL A 128 -3.956 -8.399 -7.124 1.00 0.00 N ATOM 2028 CA VAL A 128 -2.633 -8.012 -6.658 1.00 0.00 C ATOM 2029 C VAL A 128 -1.570 -8.531 -7.617 1.00 0.00 C ATOM 2030 O VAL A 128 -0.661 -7.797 -8.001 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.337 -8.533 -5.239 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -0.977 -8.032 -4.758 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.439 -8.117 -4.279 1.00 0.00 C ATOM 0 H VAL A 128 -4.521 -8.906 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.611 -6.923 -6.625 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.306 -9.622 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -0.784 -8.410 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.199 -8.386 -5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.976 -6.942 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.214 -8.494 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.505 -7.029 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.390 -8.529 -4.616 1.00 0.00 H new ATOM 2043 N GLY A 129 -1.694 -9.794 -8.018 1.00 0.00 N ATOM 2044 CA GLY A 129 -0.727 -10.360 -8.942 1.00 0.00 C ATOM 2045 C GLY A 129 -0.919 -9.857 -10.362 1.00 0.00 C ATOM 2046 O GLY A 129 0.049 -9.518 -11.043 1.00 0.00 O ATOM 0 H GLY A 129 -2.437 -10.428 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.280 -10.114 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.810 -11.447 -8.930 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.172 -9.802 -10.807 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.488 -9.332 -12.153 1.00 0.00 C ATOM 2052 C GLN A 130 -2.224 -7.832 -12.282 1.00 0.00 C ATOM 2053 O GLN A 130 -2.033 -7.318 -13.384 1.00 0.00 O ATOM 2054 CB GLN A 130 -3.949 -9.634 -12.491 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.194 -11.080 -12.892 1.00 0.00 C ATOM 2056 CD GLN A 130 -5.174 -11.207 -14.043 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -4.819 -10.996 -15.202 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -6.415 -11.554 -13.724 1.00 0.00 N ATOM 0 H GLN A 130 -2.985 -10.077 -10.255 1.00 0.00 H new ATOM 0 HA GLN A 130 -1.843 -9.859 -12.856 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.570 -9.395 -11.628 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.268 -8.981 -13.304 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.247 -11.541 -13.173 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -4.575 -11.632 -12.033 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -6.664 -11.719 -12.749 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -7.120 -11.656 -14.454 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.196 -7.141 -11.146 1.00 0.00 N ATOM 2068 CA ILE A 131 -1.930 -5.709 -11.117 1.00 0.00 C ATOM 2069 C ILE A 131 -0.430 -5.483 -10.977 1.00 0.00 C ATOM 2070 O ILE A 131 0.111 -4.474 -11.426 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.688 -5.029 -9.959 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.189 -5.161 -10.170 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.326 -3.557 -9.832 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -4.972 -4.966 -8.901 1.00 0.00 C ATOM 0 H ILE A 131 -2.356 -7.555 -10.228 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.281 -5.264 -12.048 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.394 -5.532 -9.038 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.514 -4.428 -10.909 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.409 -6.147 -10.580 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.882 -3.116 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.257 -3.460 -9.643 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.580 -3.039 -10.757 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.037 -5.071 -9.111 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.671 -5.715 -8.169 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.777 -3.970 -8.503 1.00 0.00 H new ATOM 2086 N LEU A 132 0.231 -6.463 -10.360 1.00 0.00 N ATOM 2087 CA LEU A 132 1.671 -6.429 -10.158 1.00 0.00 C ATOM 2088 C LEU A 132 2.397 -6.469 -11.501 1.00 0.00 C ATOM 2089 O LEU A 132 3.304 -5.680 -11.753 1.00 0.00 O ATOM 2090 CB LEU A 132 2.100 -7.626 -9.304 1.00 0.00 C ATOM 2091 CG LEU A 132 2.722 -7.277 -7.953 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.643 -7.089 -6.900 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.695 -8.363 -7.528 1.00 0.00 C ATOM 0 H LEU A 132 -0.220 -7.299 -9.989 1.00 0.00 H new ATOM 0 HA LEU A 132 1.932 -5.503 -9.645 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.229 -8.258 -9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.817 -8.218 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 132 3.268 -6.339 -8.054 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.106 -6.841 -5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.977 -6.280 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.070 -8.011 -6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.132 -8.103 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 132 3.166 -9.312 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.486 -8.454 -8.272 1.00 0.00 H new ATOM 2105 N ASP A 133 1.984 -7.398 -12.360 1.00 0.00 N ATOM 2106 CA ASP A 133 2.591 -7.540 -13.679 1.00 0.00 C ATOM 2107 C ASP A 133 2.359 -6.288 -14.512 1.00 0.00 C ATOM 2108 O ASP A 133 3.272 -5.780 -15.163 1.00 0.00 O ATOM 2109 CB ASP A 133 2.021 -8.764 -14.401 1.00 0.00 C ATOM 2110 CG ASP A 133 3.075 -9.511 -15.193 1.00 0.00 C ATOM 2111 OD1 ASP A 133 2.735 -10.063 -16.260 1.00 0.00 O ATOM 2112 OD2 ASP A 133 4.241 -9.545 -14.745 1.00 0.00 O ATOM 0 H ASP A 133 1.234 -8.061 -12.166 1.00 0.00 H new ATOM 0 HA ASP A 133 3.664 -7.678 -13.548 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.574 -9.438 -13.670 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.223 -8.447 -15.072 1.00 0.00 H new ATOM 2117 N SER A 134 1.131 -5.789 -14.476 1.00 0.00 N ATOM 2118 CA SER A 134 0.769 -4.586 -15.217 1.00 0.00 C ATOM 2119 C SER A 134 1.296 -3.337 -14.512 1.00 0.00 C ATOM 2120 O SER A 134 1.238 -2.235 -15.057 1.00 0.00 O ATOM 2121 CB SER A 134 -0.749 -4.495 -15.373 1.00 0.00 C ATOM 2122 OG SER A 134 -1.101 -3.680 -16.477 1.00 0.00 O ATOM 0 H SER A 134 0.366 -6.199 -13.940 1.00 0.00 H new ATOM 0 HA SER A 134 1.225 -4.645 -16.205 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.164 -5.494 -15.508 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.187 -4.088 -14.462 1.00 0.00 H new ATOM 0 HG SER A 134 -0.523 -2.889 -16.497 1.00 0.00 H new ATOM 2128 N PHE A 135 1.812 -3.519 -13.300 1.00 0.00 N ATOM 2129 CA PHE A 135 2.351 -2.415 -12.515 1.00 0.00 C ATOM 2130 C PHE A 135 3.359 -1.605 -13.326 1.00 0.00 C ATOM 2131 O PHE A 135 3.197 -0.399 -13.511 1.00 0.00 O ATOM 2132 CB PHE A 135 3.021 -2.952 -11.250 1.00 0.00 C ATOM 2133 CG PHE A 135 3.585 -1.881 -10.364 1.00 0.00 C ATOM 2134 CD1 PHE A 135 2.860 -0.732 -10.095 1.00 0.00 C ATOM 2135 CD2 PHE A 135 4.844 -2.023 -9.804 1.00 0.00 C ATOM 2136 CE1 PHE A 135 3.380 0.254 -9.283 1.00 0.00 C ATOM 2137 CE2 PHE A 135 5.369 -1.041 -8.990 1.00 0.00 C ATOM 2138 CZ PHE A 135 4.636 0.099 -8.730 1.00 0.00 C ATOM 0 H PHE A 135 1.868 -4.427 -12.839 1.00 0.00 H new ATOM 0 HA PHE A 135 1.524 -1.760 -12.240 1.00 0.00 H new ATOM 0 HB2 PHE A 135 2.294 -3.534 -10.684 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.822 -3.634 -11.535 1.00 0.00 H new ATOM 0 HD1 PHE A 135 1.877 -0.607 -10.526 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.421 -2.913 -10.007 1.00 0.00 H new ATOM 0 HE1 PHE A 135 2.806 1.146 -9.080 1.00 0.00 H new ATOM 0 HE2 PHE A 135 6.351 -1.164 -8.557 1.00 0.00 H new ATOM 0 HZ PHE A 135 5.045 0.870 -8.094 1.00 0.00 H new