USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 865 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 69 CYS SG : rot -32:sc= -4.5! USER MOD Set 1.2: A 107 ASN :FLIP amide:sc= -5.7! C(o=-15!,f=-10!) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.675! C(o=-0.5!,f=-9.2!) USER MOD Set 2.2: A 54 THR OG1 : rot -30:sc= 0.175 USER MOD Set 2.3: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 20 THR OG1 : rot 170:sc= -0.53 USER MOD Set 3.2: A 98 THR OG1 : rot -130:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.458 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.34 F(o=-3.3!,f=-2.3) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 28 LYS NZ :NH3+ -115:sc= -2.94 (180deg=-4.67!) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.0236 (180deg=-0.452) USER MOD Single : A 34 ASN : amide:sc= -0.71 K(o=-0.71,f=-1.4) USER MOD Single : A 42 ASN : amide:sc= -3! C(o=-3!,f=-3.7!) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0116 (180deg=-0.263) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 148:sc= -0.313 (180deg=-1.39!) USER MOD Single : A 46 LYS NZ :NH3+ -146:sc= -1.79 (180deg=-4.3!) USER MOD Single : A 47 GLN : amide:sc= -1.33! C(o=-1.3!,f=-1.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 153:sc= 0.47 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.36) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -6.1! C(o=-6.1!,f=-12!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.275 X(o=-0.27,f=-0.24) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 91:sc= 0.0917 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.2 K(o=-2.2,f=-3.9!) USER MOD Single : A 82 GLN :FLIP amide:sc= -1.54! C(o=-2.3!,f=-1.5!) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.74 F(o=-12!,f=-3.7) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -50:sc= -0.273 USER MOD Single : A 100 MET CE :methyl -143:sc= -0.278 (180deg=-2.33!) USER MOD Single : A 110 LYS NZ :NH3+ 150:sc= -0.293 (180deg=-1.52!) USER MOD Single : A 111 SER OG : rot 104:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -160:sc= -0.13 (180deg=-0.829) USER MOD Single : A 113 MET CE :methyl -148:sc= -0.025 (180deg=-0.0359) USER MOD Single : A 119 SER OG : rot 75:sc= 1.22 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 14 0.953 -8.439 -4.151 1.00 0.00 N ATOM 157 CA TYR A 14 0.875 -7.360 -5.129 1.00 0.00 C ATOM 158 C TYR A 14 -0.161 -7.684 -6.200 1.00 0.00 C ATOM 159 O TYR A 14 -0.610 -8.824 -6.316 1.00 0.00 O ATOM 160 CB TYR A 14 2.242 -7.147 -5.785 1.00 0.00 C ATOM 161 CG TYR A 14 3.255 -6.776 -4.729 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.129 -5.569 -4.032 1.00 0.00 C ATOM 163 CD2 TYR A 14 4.321 -7.640 -4.448 1.00 0.00 C ATOM 164 CE1 TYR A 14 4.069 -5.225 -3.053 1.00 0.00 C ATOM 165 CE2 TYR A 14 5.261 -7.296 -3.470 1.00 0.00 C ATOM 166 CZ TYR A 14 5.135 -6.088 -2.772 1.00 0.00 C ATOM 167 OH TYR A 14 6.061 -5.748 -1.806 1.00 0.00 O ATOM 0 HA TYR A 14 0.576 -6.448 -4.613 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.555 -8.055 -6.301 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.178 -6.359 -6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.307 -4.903 -4.249 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.418 -8.571 -4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.972 -4.294 -2.515 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.083 -7.962 -3.253 1.00 0.00 H new ATOM 0 HH TYR A 14 6.735 -6.456 -1.735 1.00 0.00 H new ATOM 177 N VAL A 15 -0.537 -6.676 -6.980 1.00 0.00 N ATOM 178 CA VAL A 15 -1.536 -6.865 -8.025 1.00 0.00 C ATOM 179 C VAL A 15 -1.126 -6.133 -9.299 1.00 0.00 C ATOM 180 O VAL A 15 -0.957 -6.746 -10.352 1.00 0.00 O ATOM 181 CB VAL A 15 -2.893 -6.345 -7.549 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.684 -5.260 -6.492 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.657 -5.757 -8.738 1.00 0.00 C ATOM 0 H VAL A 15 -0.169 -5.727 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.611 -7.931 -8.241 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.465 -7.166 -7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.652 -4.890 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.139 -5.677 -5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.112 -4.438 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.625 -5.386 -8.401 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.084 -4.936 -9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.807 -6.530 -9.492 1.00 0.00 H new ATOM 193 N ASN A 16 -0.971 -4.817 -9.195 1.00 0.00 N ATOM 194 CA ASN A 16 -0.598 -4.008 -10.350 1.00 0.00 C ATOM 195 C ASN A 16 0.793 -4.390 -10.847 1.00 0.00 C ATOM 196 O ASN A 16 1.103 -4.233 -12.027 1.00 0.00 O ATOM 197 CB ASN A 16 -0.619 -2.525 -9.975 1.00 0.00 C ATOM 198 CG ASN A 16 -2.060 -2.047 -9.822 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.431 -1.468 -8.713 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.868 -2.206 -10.737 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.097 -4.291 -8.330 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.318 -4.192 -11.147 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.074 -2.369 -9.044 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.112 -1.940 -10.743 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.575 -2.659 -11.603 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.830 -1.885 -10.629 1.00 0.00 H new ATOM 207 N GLY A 17 1.624 -4.892 -9.939 1.00 0.00 N ATOM 208 CA GLY A 17 2.979 -5.292 -10.299 1.00 0.00 C ATOM 209 C GLY A 17 3.833 -5.504 -9.055 1.00 0.00 C ATOM 210 O GLY A 17 3.486 -5.045 -7.966 1.00 0.00 O ATOM 0 H GLY A 17 1.386 -5.031 -8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.948 -6.211 -10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.432 -4.528 -10.930 1.00 0.00 H new ATOM 214 N ARG A 18 4.952 -6.202 -9.223 1.00 0.00 N ATOM 215 CA ARG A 18 5.848 -6.472 -8.104 1.00 0.00 C ATOM 216 C ARG A 18 6.909 -5.382 -7.994 1.00 0.00 C ATOM 217 O ARG A 18 7.298 -4.775 -8.993 1.00 0.00 O ATOM 218 CB ARG A 18 6.525 -7.830 -8.294 1.00 0.00 C ATOM 219 CG ARG A 18 5.596 -8.758 -9.080 1.00 0.00 C ATOM 220 CD ARG A 18 4.270 -8.906 -8.333 1.00 0.00 C ATOM 221 NE ARG A 18 3.584 -10.121 -8.760 1.00 0.00 N ATOM 222 CZ ARG A 18 2.259 -10.217 -8.702 1.00 0.00 C ATOM 223 NH1 ARG A 18 1.551 -9.214 -8.260 1.00 0.00 N ATOM 224 NH2 ARG A 18 1.667 -11.313 -9.090 1.00 0.00 N ATOM 0 H ARG A 18 5.258 -6.588 -10.116 1.00 0.00 H new ATOM 0 HA ARG A 18 5.261 -6.485 -7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.468 -7.707 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.761 -8.270 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.421 -8.355 -10.077 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.064 -9.734 -9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.451 -8.940 -7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.639 -8.038 -8.522 1.00 0.00 H new ATOM 0 HE ARG A 18 4.130 -10.909 -9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.014 -8.356 -7.959 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.535 -9.288 -8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.221 -12.096 -9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.651 -11.387 -9.046 1.00 0.00 H new ATOM 238 N PRO A 19 7.376 -5.126 -6.803 1.00 0.00 N ATOM 239 CA PRO A 19 8.418 -4.091 -6.548 1.00 0.00 C ATOM 240 C PRO A 19 9.783 -4.501 -7.095 1.00 0.00 C ATOM 241 O PRO A 19 10.197 -5.653 -6.959 1.00 0.00 O ATOM 242 CB PRO A 19 8.449 -3.983 -5.024 1.00 0.00 C ATOM 243 CG PRO A 19 7.951 -5.298 -4.518 1.00 0.00 C ATOM 244 CD PRO A 19 6.946 -5.823 -5.547 1.00 0.00 C ATOM 0 HA PRO A 19 8.190 -3.147 -7.043 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.459 -3.782 -4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.818 -3.165 -4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.775 -6.000 -4.392 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.479 -5.182 -3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.996 -6.907 -5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.920 -5.575 -5.276 1.00 0.00 H new ATOM 252 N THR A 20 10.476 -3.550 -7.713 1.00 0.00 N ATOM 253 CA THR A 20 11.793 -3.821 -8.276 1.00 0.00 C ATOM 254 C THR A 20 12.838 -3.924 -7.168 1.00 0.00 C ATOM 255 O THR A 20 14.002 -4.232 -7.425 1.00 0.00 O ATOM 256 CB THR A 20 12.185 -2.707 -9.248 1.00 0.00 C ATOM 257 OG1 THR A 20 12.359 -1.493 -8.529 1.00 0.00 O ATOM 258 CG2 THR A 20 11.084 -2.529 -10.294 1.00 0.00 C ATOM 0 H THR A 20 10.150 -2.591 -7.836 1.00 0.00 H new ATOM 0 HA THR A 20 11.751 -4.770 -8.810 1.00 0.00 H new ATOM 0 HB THR A 20 13.117 -2.971 -9.747 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.763 -0.820 -9.116 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.365 -1.735 -10.986 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.951 -3.460 -10.845 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.150 -2.265 -9.798 1.00 0.00 H new ATOM 266 N PHE A 21 12.413 -3.663 -5.936 1.00 0.00 N ATOM 267 CA PHE A 21 13.319 -3.728 -4.795 1.00 0.00 C ATOM 268 C PHE A 21 12.727 -4.600 -3.692 1.00 0.00 C ATOM 269 O PHE A 21 11.531 -4.534 -3.411 1.00 0.00 O ATOM 270 CB PHE A 21 13.578 -2.320 -4.253 1.00 0.00 C ATOM 271 CG PHE A 21 14.626 -2.382 -3.169 1.00 0.00 C ATOM 272 CD1 PHE A 21 15.983 -2.420 -3.509 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.241 -2.400 -1.824 1.00 0.00 C ATOM 274 CE1 PHE A 21 16.956 -2.478 -2.504 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.213 -2.458 -0.818 1.00 0.00 C ATOM 276 CZ PHE A 21 16.571 -2.497 -1.158 1.00 0.00 C ATOM 0 H PHE A 21 11.454 -3.406 -5.703 1.00 0.00 H new ATOM 0 HA PHE A 21 14.260 -4.168 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.911 -1.665 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.655 -1.896 -3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.280 -2.405 -4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.194 -2.369 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.003 -2.508 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.916 -2.473 0.220 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.321 -2.542 -0.382 1.00 0.00 H new ATOM 286 N VAL A 22 13.573 -5.416 -3.071 1.00 0.00 N ATOM 287 CA VAL A 22 13.120 -6.300 -2.003 1.00 0.00 C ATOM 288 C VAL A 22 14.083 -6.251 -0.821 1.00 0.00 C ATOM 289 O VAL A 22 15.289 -6.442 -0.982 1.00 0.00 O ATOM 290 CB VAL A 22 13.019 -7.736 -2.521 1.00 0.00 C ATOM 291 CG1 VAL A 22 11.999 -8.512 -1.686 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.569 -7.719 -3.984 1.00 0.00 C ATOM 0 H VAL A 22 14.568 -5.484 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 22 12.138 -5.963 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 22 13.994 -8.218 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.928 -9.535 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.317 -8.525 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.024 -8.030 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.497 -8.742 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.595 -7.236 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.295 -7.167 -4.582 1.00 0.00 H new ATOM 302 N GLY A 23 13.543 -5.994 0.365 1.00 0.00 N ATOM 303 CA GLY A 23 14.365 -5.923 1.568 1.00 0.00 C ATOM 304 C GLY A 23 14.059 -7.085 2.506 1.00 0.00 C ATOM 305 O GLY A 23 14.369 -8.237 2.205 1.00 0.00 O ATOM 0 H GLY A 23 12.548 -5.832 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.420 -5.940 1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.184 -4.979 2.082 1.00 0.00 H new ATOM 309 N GLU A 24 13.449 -6.774 3.646 1.00 0.00 N ATOM 310 CA GLU A 24 13.102 -7.804 4.619 1.00 0.00 C ATOM 311 C GLU A 24 11.799 -7.452 5.330 1.00 0.00 C ATOM 312 O GLU A 24 10.823 -8.200 5.262 1.00 0.00 O ATOM 313 CB GLU A 24 14.225 -7.947 5.649 1.00 0.00 C ATOM 314 CG GLU A 24 13.942 -9.154 6.547 1.00 0.00 C ATOM 315 CD GLU A 24 15.039 -9.288 7.598 1.00 0.00 C ATOM 316 OE1 GLU A 24 15.988 -8.524 7.537 1.00 0.00 O ATOM 317 OE2 GLU A 24 14.913 -10.154 8.449 1.00 0.00 O ATOM 0 H GLU A 24 13.187 -5.826 3.917 1.00 0.00 H new ATOM 0 HA GLU A 24 12.970 -8.748 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.183 -8.072 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.298 -7.041 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.973 -9.038 7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.890 -10.061 5.945 1.00 0.00 H new ATOM 324 N GLU A 25 11.791 -6.311 6.011 1.00 0.00 N ATOM 325 CA GLU A 25 10.595 -5.863 6.715 1.00 0.00 C ATOM 326 C GLU A 25 9.716 -5.019 5.797 1.00 0.00 C ATOM 327 O GLU A 25 10.125 -3.949 5.343 1.00 0.00 O ATOM 328 CB GLU A 25 10.990 -5.041 7.944 1.00 0.00 C ATOM 329 CG GLU A 25 9.748 -4.761 8.792 1.00 0.00 C ATOM 330 CD GLU A 25 10.112 -3.866 9.971 1.00 0.00 C ATOM 331 OE1 GLU A 25 11.265 -3.479 10.060 1.00 0.00 O ATOM 332 OE2 GLU A 25 9.233 -3.581 10.767 1.00 0.00 O ATOM 0 H GLU A 25 12.592 -5.684 6.090 1.00 0.00 H new ATOM 0 HA GLU A 25 10.032 -6.741 7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.731 -5.581 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.451 -4.103 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.983 -4.280 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.326 -5.699 9.153 1.00 0.00 H new ATOM 339 N VAL A 26 8.511 -5.505 5.528 1.00 0.00 N ATOM 340 CA VAL A 26 7.591 -4.796 4.647 1.00 0.00 C ATOM 341 C VAL A 26 6.317 -4.414 5.396 1.00 0.00 C ATOM 342 O VAL A 26 5.760 -5.220 6.142 1.00 0.00 O ATOM 343 CB VAL A 26 7.235 -5.673 3.446 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.469 -4.842 2.415 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.519 -6.213 2.812 1.00 0.00 C ATOM 0 H VAL A 26 8.149 -6.381 5.904 1.00 0.00 H new ATOM 0 HA VAL A 26 8.081 -3.887 4.299 1.00 0.00 H new ATOM 0 HB VAL A 26 6.613 -6.505 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.216 -5.468 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.555 -4.456 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.090 -4.010 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.267 -6.838 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.140 -5.380 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.066 -6.806 3.546 1.00 0.00 H new ATOM 355 N THR A 27 5.864 -3.183 5.192 1.00 0.00 N ATOM 356 CA THR A 27 4.650 -2.708 5.845 1.00 0.00 C ATOM 357 C THR A 27 3.759 -1.973 4.848 1.00 0.00 C ATOM 358 O THR A 27 4.160 -1.723 3.712 1.00 0.00 O ATOM 359 CB THR A 27 5.010 -1.770 6.999 1.00 0.00 C ATOM 360 OG1 THR A 27 5.069 -0.433 6.520 1.00 0.00 O ATOM 361 CG2 THR A 27 6.370 -2.167 7.577 1.00 0.00 C ATOM 0 H THR A 27 6.315 -2.500 4.584 1.00 0.00 H new ATOM 0 HA THR A 27 4.108 -3.570 6.234 1.00 0.00 H new ATOM 0 HB THR A 27 4.251 -1.844 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.298 0.169 7.258 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.625 -1.498 8.399 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.324 -3.192 7.944 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.131 -2.094 6.800 1.00 0.00 H new ATOM 369 N LYS A 28 2.551 -1.630 5.281 1.00 0.00 N ATOM 370 CA LYS A 28 1.613 -0.925 4.415 1.00 0.00 C ATOM 371 C LYS A 28 1.246 0.430 5.012 1.00 0.00 C ATOM 372 O LYS A 28 0.386 0.520 5.888 1.00 0.00 O ATOM 373 CB LYS A 28 0.345 -1.762 4.226 1.00 0.00 C ATOM 374 CG LYS A 28 0.722 -3.240 4.111 1.00 0.00 C ATOM 375 CD LYS A 28 -0.497 -4.045 3.654 1.00 0.00 C ATOM 376 CE LYS A 28 -1.628 -3.879 4.670 1.00 0.00 C ATOM 377 NZ LYS A 28 -2.373 -2.620 4.384 1.00 0.00 N ATOM 0 H LYS A 28 2.200 -1.826 6.218 1.00 0.00 H new ATOM 0 HA LYS A 28 2.090 -0.766 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.331 -1.613 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.186 -1.440 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.539 -3.363 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.077 -3.611 5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.824 -3.704 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.234 -5.098 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.304 -4.733 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.222 -3.852 5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.250 -1.956 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.006 -2.190 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.384 -2.834 4.266 1.00 0.00 H new ATOM 391 N GLY A 29 1.904 1.479 4.532 1.00 0.00 N ATOM 392 CA GLY A 29 1.631 2.827 5.016 1.00 0.00 C ATOM 393 C GLY A 29 0.137 3.034 5.240 1.00 0.00 C ATOM 394 O GLY A 29 -0.323 3.120 6.378 1.00 0.00 O ATOM 0 H GLY A 29 2.625 1.423 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.170 2.999 5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.999 3.558 4.296 1.00 0.00 H new ATOM 398 N PHE A 30 -0.614 3.113 4.147 1.00 0.00 N ATOM 399 CA PHE A 30 -2.057 3.302 4.236 1.00 0.00 C ATOM 400 C PHE A 30 -2.744 2.002 4.643 1.00 0.00 C ATOM 401 O PHE A 30 -2.440 0.935 4.111 1.00 0.00 O ATOM 402 CB PHE A 30 -2.606 3.770 2.887 1.00 0.00 C ATOM 403 CG PHE A 30 -1.897 5.036 2.469 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.331 6.276 2.957 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.807 4.972 1.592 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.674 7.449 2.569 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.150 6.146 1.205 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.584 7.385 1.692 1.00 0.00 C ATOM 0 H PHE A 30 -0.251 3.050 3.196 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.259 4.059 4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.463 2.994 2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.679 3.948 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.172 6.326 3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.473 4.017 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.008 8.404 2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.692 6.096 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.078 8.291 1.391 1.00 0.00 H new ATOM 418 N GLU A 31 -3.671 2.101 5.589 1.00 0.00 N ATOM 419 CA GLU A 31 -4.400 0.929 6.058 1.00 0.00 C ATOM 420 C GLU A 31 -5.648 0.699 5.212 1.00 0.00 C ATOM 421 O GLU A 31 -6.452 -0.187 5.501 1.00 0.00 O ATOM 422 CB GLU A 31 -4.801 1.115 7.523 1.00 0.00 C ATOM 423 CG GLU A 31 -3.544 1.248 8.384 1.00 0.00 C ATOM 424 CD GLU A 31 -2.934 2.634 8.207 1.00 0.00 C ATOM 425 OE1 GLU A 31 -3.627 3.505 7.708 1.00 0.00 O ATOM 426 OE2 GLU A 31 -1.782 2.804 8.570 1.00 0.00 O ATOM 0 H GLU A 31 -3.934 2.975 6.044 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.749 0.060 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.424 2.003 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.396 0.266 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.792 1.082 9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.819 0.484 8.104 1.00 0.00 H new ATOM 433 N LYS A 32 -5.802 1.501 4.163 1.00 0.00 N ATOM 434 CA LYS A 32 -6.960 1.380 3.286 1.00 0.00 C ATOM 435 C LYS A 32 -6.581 0.663 1.994 1.00 0.00 C ATOM 436 O LYS A 32 -5.441 0.746 1.539 1.00 0.00 O ATOM 437 CB LYS A 32 -7.513 2.768 2.956 1.00 0.00 C ATOM 438 CG LYS A 32 -8.909 2.630 2.345 1.00 0.00 C ATOM 439 CD LYS A 32 -9.932 2.391 3.457 1.00 0.00 C ATOM 440 CE LYS A 32 -11.342 2.635 2.914 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.531 1.858 1.656 1.00 0.00 N ATOM 0 H LYS A 32 -5.145 2.236 3.901 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.723 0.798 3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.558 3.377 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.849 3.280 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.165 3.532 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.927 1.802 1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.846 1.371 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.734 3.057 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.085 2.336 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.491 3.698 2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.546 1.786 1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.046 2.341 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.133 0.904 1.774 1.00 0.00 H new ATOM 455 N ASP A 33 -7.543 -0.044 1.411 1.00 0.00 N ATOM 456 CA ASP A 33 -7.301 -0.765 0.167 1.00 0.00 C ATOM 457 C ASP A 33 -6.166 -1.769 0.343 1.00 0.00 C ATOM 458 O ASP A 33 -5.807 -2.124 1.465 1.00 0.00 O ATOM 459 CB ASP A 33 -6.946 0.222 -0.947 1.00 0.00 C ATOM 460 CG ASP A 33 -8.108 1.179 -1.187 1.00 0.00 C ATOM 461 OD1 ASP A 33 -9.202 0.874 -0.740 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.888 2.203 -1.812 1.00 0.00 O ATOM 0 H ASP A 33 -8.491 -0.133 1.777 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.209 -1.305 -0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.052 0.783 -0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.715 -0.320 -1.864 1.00 0.00 H new ATOM 467 N ASN A 34 -5.605 -2.222 -0.774 1.00 0.00 N ATOM 468 CA ASN A 34 -4.518 -3.194 -0.730 1.00 0.00 C ATOM 469 C ASN A 34 -3.238 -2.544 -0.215 1.00 0.00 C ATOM 470 O ASN A 34 -2.149 -2.807 -0.724 1.00 0.00 O ATOM 471 CB ASN A 34 -4.276 -3.768 -2.126 1.00 0.00 C ATOM 472 CG ASN A 34 -3.253 -4.898 -2.055 1.00 0.00 C ATOM 473 OD1 ASN A 34 -2.120 -4.740 -2.507 1.00 0.00 O ATOM 474 ND2 ASN A 34 -3.590 -6.036 -1.510 1.00 0.00 N ATOM 0 H ASN A 34 -5.882 -1.935 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.801 -3.998 -0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.212 -4.139 -2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.919 -2.984 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.913 -6.797 -1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.530 -6.164 -1.136 1.00 0.00 H new ATOM 481 N GLY A 35 -3.377 -1.694 0.797 1.00 0.00 N ATOM 482 CA GLY A 35 -2.223 -1.020 1.381 1.00 0.00 C ATOM 483 C GLY A 35 -1.700 0.068 0.449 1.00 0.00 C ATOM 484 O GLY A 35 -1.017 0.995 0.884 1.00 0.00 O ATOM 0 H GLY A 35 -4.271 -1.457 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.500 -0.581 2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.434 -1.746 1.578 1.00 0.00 H new ATOM 488 N LEU A 36 -2.028 -0.050 -0.834 1.00 0.00 N ATOM 489 CA LEU A 36 -1.587 0.931 -1.818 1.00 0.00 C ATOM 490 C LEU A 36 -0.064 0.986 -1.878 1.00 0.00 C ATOM 491 O LEU A 36 0.551 0.425 -2.785 1.00 0.00 O ATOM 492 CB LEU A 36 -2.136 2.313 -1.458 1.00 0.00 C ATOM 493 CG LEU A 36 -3.645 2.220 -1.231 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.199 3.607 -0.900 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.320 1.693 -2.500 1.00 0.00 C ATOM 0 H LEU A 36 -2.593 -0.809 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.965 0.632 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.645 2.688 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.921 3.021 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.845 1.541 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.275 3.540 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.719 3.984 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.998 4.286 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.396 1.626 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.118 2.372 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.927 0.705 -2.738 1.00 0.00 H new ATOM 507 N LEU A 37 0.538 1.665 -0.906 1.00 0.00 N ATOM 508 CA LEU A 37 1.990 1.795 -0.866 1.00 0.00 C ATOM 509 C LEU A 37 2.584 0.864 0.185 1.00 0.00 C ATOM 510 O LEU A 37 2.078 0.770 1.303 1.00 0.00 O ATOM 511 CB LEU A 37 2.378 3.241 -0.545 1.00 0.00 C ATOM 512 CG LEU A 37 3.896 3.394 -0.637 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.308 3.540 -2.103 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.331 4.640 0.138 1.00 0.00 C ATOM 0 H LEU A 37 0.048 2.130 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 37 2.386 1.521 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.890 3.923 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.035 3.507 0.455 1.00 0.00 H new ATOM 0 HG LEU A 37 4.375 2.513 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.391 3.649 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.999 2.654 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.829 4.421 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.414 4.750 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.851 5.520 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.039 4.539 1.183 1.00 0.00 H new ATOM 526 N PHE A 38 3.662 0.178 -0.182 1.00 0.00 N ATOM 527 CA PHE A 38 4.328 -0.733 0.742 1.00 0.00 C ATOM 528 C PHE A 38 5.686 -0.177 1.157 1.00 0.00 C ATOM 529 O PHE A 38 6.471 0.260 0.315 1.00 0.00 O ATOM 530 CB PHE A 38 4.513 -2.101 0.084 1.00 0.00 C ATOM 531 CG PHE A 38 3.162 -2.688 -0.247 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.554 -2.398 -1.473 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.517 -3.523 0.674 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.300 -2.943 -1.779 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.265 -4.067 0.368 1.00 0.00 C ATOM 536 CZ PHE A 38 0.656 -3.777 -0.858 1.00 0.00 C ATOM 0 H PHE A 38 4.090 0.235 -1.106 1.00 0.00 H new ATOM 0 HA PHE A 38 3.705 -0.839 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.110 -2.002 -0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.057 -2.768 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.051 -1.754 -2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.986 -3.747 1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.830 -2.719 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.768 -4.711 1.078 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.311 -4.197 -1.093 1.00 0.00 H new ATOM 546 N ARG A 39 5.956 -0.195 2.458 1.00 0.00 N ATOM 547 CA ARG A 39 7.224 0.307 2.971 1.00 0.00 C ATOM 548 C ARG A 39 8.265 -0.808 3.016 1.00 0.00 C ATOM 549 O ARG A 39 8.275 -1.624 3.937 1.00 0.00 O ATOM 550 CB ARG A 39 7.030 0.882 4.375 1.00 0.00 C ATOM 551 CG ARG A 39 8.303 1.609 4.811 1.00 0.00 C ATOM 552 CD ARG A 39 8.076 2.268 6.172 1.00 0.00 C ATOM 553 NE ARG A 39 7.974 1.251 7.213 1.00 0.00 N ATOM 554 CZ ARG A 39 7.788 1.588 8.485 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.692 2.845 8.821 1.00 0.00 N ATOM 556 NH2 ARG A 39 7.700 0.660 9.399 1.00 0.00 N ATOM 0 H ARG A 39 5.319 -0.549 3.171 1.00 0.00 H new ATOM 0 HA ARG A 39 7.578 1.092 2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.185 1.570 4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.797 0.082 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.134 0.906 4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.575 2.362 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.898 2.948 6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.165 2.866 6.147 1.00 0.00 H new ATOM 0 HE ARG A 39 8.047 0.265 6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.760 3.570 8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.549 3.102 9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.774 -0.323 9.137 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.557 0.918 10.375 1.00 0.00 H new ATOM 570 N ILE A 40 9.139 -0.835 2.015 1.00 0.00 N ATOM 571 CA ILE A 40 10.175 -1.858 1.945 1.00 0.00 C ATOM 572 C ILE A 40 11.432 -1.396 2.675 1.00 0.00 C ATOM 573 O ILE A 40 11.905 -0.277 2.470 1.00 0.00 O ATOM 574 CB ILE A 40 10.513 -2.160 0.485 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.232 -2.527 -0.267 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.494 -3.332 0.419 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.519 -2.579 -1.770 1.00 0.00 C ATOM 0 H ILE A 40 9.151 -0.165 1.246 1.00 0.00 H new ATOM 0 HA ILE A 40 9.800 -2.762 2.425 1.00 0.00 H new ATOM 0 HB ILE A 40 10.967 -1.281 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.860 -3.492 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.453 -1.793 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.735 -3.547 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.406 -3.073 0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.041 -4.212 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.607 -2.840 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.871 -1.604 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.284 -3.330 -1.969 1.00 0.00 H new ATOM 589 N VAL A 41 11.969 -2.262 3.528 1.00 0.00 N ATOM 590 CA VAL A 41 13.167 -1.927 4.288 1.00 0.00 C ATOM 591 C VAL A 41 14.172 -3.074 4.239 1.00 0.00 C ATOM 592 O VAL A 41 13.837 -4.220 4.541 1.00 0.00 O ATOM 593 CB VAL A 41 12.797 -1.633 5.743 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.040 -1.169 6.504 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.736 -0.530 5.784 1.00 0.00 C ATOM 0 H VAL A 41 11.597 -3.194 3.709 1.00 0.00 H new ATOM 0 HA VAL A 41 13.621 -1.042 3.842 1.00 0.00 H new ATOM 0 HB VAL A 41 12.404 -2.537 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.775 -0.960 7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.798 -1.952 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.434 -0.264 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.471 -0.319 6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.132 0.373 5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.849 -0.858 5.242 1.00 0.00 H new ATOM 605 N ASN A 42 15.405 -2.758 3.857 1.00 0.00 N ATOM 606 CA ASN A 42 16.455 -3.767 3.784 1.00 0.00 C ATOM 607 C ASN A 42 17.468 -3.568 4.908 1.00 0.00 C ATOM 608 O ASN A 42 18.298 -2.660 4.853 1.00 0.00 O ATOM 609 CB ASN A 42 17.166 -3.684 2.432 1.00 0.00 C ATOM 610 CG ASN A 42 17.939 -4.973 2.169 1.00 0.00 C ATOM 611 OD1 ASN A 42 19.027 -4.939 1.596 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.438 -6.114 2.556 1.00 0.00 N ATOM 0 H ASN A 42 15.700 -1.818 3.595 1.00 0.00 H new ATOM 0 HA ASN A 42 15.997 -4.750 3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.437 -3.519 1.638 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.847 -2.833 2.422 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.949 -6.980 2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.536 -6.140 3.031 1.00 0.00 H new ATOM 619 N LYS A 43 17.393 -4.421 5.923 1.00 0.00 N ATOM 620 CA LYS A 43 18.293 -4.316 7.066 1.00 0.00 C ATOM 621 C LYS A 43 19.748 -4.386 6.612 1.00 0.00 C ATOM 622 O LYS A 43 20.626 -3.768 7.214 1.00 0.00 O ATOM 623 CB LYS A 43 18.013 -5.446 8.057 1.00 0.00 C ATOM 624 CG LYS A 43 16.616 -5.265 8.654 1.00 0.00 C ATOM 625 CD LYS A 43 16.407 -6.278 9.781 1.00 0.00 C ATOM 626 CE LYS A 43 14.962 -6.202 10.275 1.00 0.00 C ATOM 627 NZ LYS A 43 14.718 -4.868 10.894 1.00 0.00 N ATOM 0 H LYS A 43 16.723 -5.188 5.979 1.00 0.00 H new ATOM 0 HA LYS A 43 18.121 -3.355 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.083 -6.411 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.762 -5.444 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.501 -4.251 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.859 -5.402 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.628 -7.284 9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.094 -6.072 10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.274 -6.361 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.773 -6.992 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.839 -4.898 11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.513 -4.624 11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.631 -4.149 10.147 1.00 0.00 H new ATOM 641 N LYS A 44 19.996 -5.143 5.549 1.00 0.00 N ATOM 642 CA LYS A 44 21.351 -5.293 5.031 1.00 0.00 C ATOM 643 C LYS A 44 22.010 -3.931 4.845 1.00 0.00 C ATOM 644 O LYS A 44 23.086 -3.672 5.386 1.00 0.00 O ATOM 645 CB LYS A 44 21.319 -6.033 3.691 1.00 0.00 C ATOM 646 CG LYS A 44 22.748 -6.351 3.249 1.00 0.00 C ATOM 647 CD LYS A 44 22.715 -7.306 2.054 1.00 0.00 C ATOM 648 CE LYS A 44 22.039 -6.616 0.868 1.00 0.00 C ATOM 649 NZ LYS A 44 22.418 -7.311 -0.394 1.00 0.00 N ATOM 0 H LYS A 44 19.283 -5.658 5.033 1.00 0.00 H new ATOM 0 HA LYS A 44 21.932 -5.869 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.743 -6.954 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.822 -5.422 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.269 -5.432 2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.302 -6.802 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.728 -7.605 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.174 -8.215 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.956 -6.632 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 44 22.339 -5.569 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.958 -6.842 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.450 -7.274 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 22.110 -8.303 -0.350 1.00 0.00 H new ATOM 663 N LYS A 45 21.360 -3.063 4.077 1.00 0.00 N ATOM 664 CA LYS A 45 21.889 -1.727 3.833 1.00 0.00 C ATOM 665 C LYS A 45 21.081 -0.681 4.595 1.00 0.00 C ATOM 666 O LYS A 45 21.423 0.501 4.598 1.00 0.00 O ATOM 667 CB LYS A 45 21.848 -1.416 2.335 1.00 0.00 C ATOM 668 CG LYS A 45 22.524 -2.550 1.561 1.00 0.00 C ATOM 669 CD LYS A 45 24.009 -2.604 1.924 1.00 0.00 C ATOM 670 CE LYS A 45 24.768 -3.389 0.853 1.00 0.00 C ATOM 671 NZ LYS A 45 24.608 -2.713 -0.466 1.00 0.00 N ATOM 0 H LYS A 45 20.472 -3.259 3.616 1.00 0.00 H new ATOM 0 HA LYS A 45 22.921 -1.696 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 45 20.816 -1.300 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.354 -0.472 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.046 -3.501 1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.407 -2.393 0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 45 24.412 -1.594 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.139 -3.077 2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 45 25.824 -3.454 1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.390 -4.410 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 25.465 -2.858 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.788 -3.114 -0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.459 -1.694 -0.318 1.00 0.00 H new ATOM 685 N LYS A 46 20.008 -1.126 5.241 1.00 0.00 N ATOM 686 CA LYS A 46 19.154 -0.219 6.000 1.00 0.00 C ATOM 687 C LYS A 46 18.616 0.892 5.104 1.00 0.00 C ATOM 688 O LYS A 46 18.380 2.010 5.560 1.00 0.00 O ATOM 689 CB LYS A 46 19.944 0.395 7.159 1.00 0.00 C ATOM 690 CG LYS A 46 19.484 -0.228 8.477 1.00 0.00 C ATOM 691 CD LYS A 46 18.156 0.402 8.905 1.00 0.00 C ATOM 692 CE LYS A 46 17.410 -0.558 9.832 1.00 0.00 C ATOM 693 NZ LYS A 46 17.152 -1.839 9.117 1.00 0.00 N ATOM 0 H LYS A 46 19.711 -2.102 5.255 1.00 0.00 H new ATOM 0 HA LYS A 46 18.313 -0.789 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.011 0.224 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.795 1.474 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.367 -1.305 8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.238 -0.071 9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.338 1.348 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.548 0.624 8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.998 -0.743 10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.469 -0.112 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.242 -2.234 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.119 -1.664 8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.914 -2.514 9.329 1.00 0.00 H new ATOM 707 N GLN A 47 18.421 0.577 3.828 1.00 0.00 N ATOM 708 CA GLN A 47 17.902 1.558 2.882 1.00 0.00 C ATOM 709 C GLN A 47 16.400 1.373 2.692 1.00 0.00 C ATOM 710 O GLN A 47 15.938 0.286 2.347 1.00 0.00 O ATOM 711 CB GLN A 47 18.611 1.414 1.533 1.00 0.00 C ATOM 712 CG GLN A 47 18.341 0.022 0.959 1.00 0.00 C ATOM 713 CD GLN A 47 19.345 -0.290 -0.144 1.00 0.00 C ATOM 714 OE1 GLN A 47 19.393 -1.414 -0.644 1.00 0.00 O ATOM 715 NE2 GLN A 47 20.158 0.644 -0.557 1.00 0.00 N ATOM 0 H GLN A 47 18.612 -0.341 3.428 1.00 0.00 H new ATOM 0 HA GLN A 47 18.088 2.554 3.283 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.258 2.179 0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.683 1.566 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.412 -0.726 1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.327 -0.027 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.118 1.575 -0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.833 0.443 -1.294 1.00 0.00 H new ATOM 724 N TRP A 48 15.644 2.440 2.922 1.00 0.00 N ATOM 725 CA TRP A 48 14.194 2.384 2.777 1.00 0.00 C ATOM 726 C TRP A 48 13.793 2.553 1.314 1.00 0.00 C ATOM 727 O TRP A 48 14.428 3.300 0.569 1.00 0.00 O ATOM 728 CB TRP A 48 13.541 3.481 3.617 1.00 0.00 C ATOM 729 CG TRP A 48 13.757 3.197 5.068 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.591 2.251 5.560 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.148 3.845 6.223 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.532 2.278 6.942 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.656 3.244 7.398 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.212 4.886 6.362 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.251 3.660 8.667 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.802 5.308 7.639 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.320 4.696 8.788 1.00 0.00 C ATOM 0 H TRP A 48 16.008 3.349 3.208 1.00 0.00 H new ATOM 0 HA TRP A 48 13.852 1.409 3.125 1.00 0.00 H new ATOM 0 HB2 TRP A 48 13.965 4.451 3.359 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.474 3.532 3.401 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.202 1.584 4.970 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.070 1.660 7.550 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.806 5.364 5.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.654 3.185 9.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 11.084 6.109 7.735 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.000 5.024 9.766 1.00 0.00 H new ATOM 748 N ALA A 49 12.735 1.856 0.913 1.00 0.00 N ATOM 749 CA ALA A 49 12.251 1.941 -0.461 1.00 0.00 C ATOM 750 C ALA A 49 10.727 1.895 -0.492 1.00 0.00 C ATOM 751 O ALA A 49 10.101 1.222 0.326 1.00 0.00 O ATOM 752 CB ALA A 49 12.816 0.785 -1.288 1.00 0.00 C ATOM 0 H ALA A 49 12.199 1.230 1.515 1.00 0.00 H new ATOM 0 HA ALA A 49 12.585 2.887 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.449 0.857 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.905 0.836 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.497 -0.163 -0.854 1.00 0.00 H new ATOM 758 N TYR A 50 10.135 2.615 -1.440 1.00 0.00 N ATOM 759 CA TYR A 50 8.682 2.651 -1.558 1.00 0.00 C ATOM 760 C TYR A 50 8.242 2.195 -2.945 1.00 0.00 C ATOM 761 O TYR A 50 8.848 2.561 -3.953 1.00 0.00 O ATOM 762 CB TYR A 50 8.172 4.070 -1.301 1.00 0.00 C ATOM 763 CG TYR A 50 8.314 4.397 0.166 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.422 3.847 1.094 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.338 5.247 0.598 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.554 4.149 2.455 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.472 5.548 1.958 1.00 0.00 C ATOM 768 CZ TYR A 50 8.579 4.998 2.887 1.00 0.00 C ATOM 769 OH TYR A 50 8.710 5.294 4.228 1.00 0.00 O ATOM 0 H TYR A 50 10.633 3.176 -2.131 1.00 0.00 H new ATOM 0 HA TYR A 50 8.261 1.973 -0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.736 4.785 -1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.128 4.153 -1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.632 3.190 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.026 5.671 -0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.865 3.727 3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.263 6.204 2.291 1.00 0.00 H new ATOM 0 HH TYR A 50 9.472 5.896 4.357 1.00 0.00 H new ATOM 779 N TYR A 51 7.183 1.393 -2.988 1.00 0.00 N ATOM 780 CA TYR A 51 6.659 0.900 -4.256 1.00 0.00 C ATOM 781 C TYR A 51 5.194 1.296 -4.418 1.00 0.00 C ATOM 782 O TYR A 51 4.377 1.067 -3.527 1.00 0.00 O ATOM 783 CB TYR A 51 6.788 -0.623 -4.317 1.00 0.00 C ATOM 784 CG TYR A 51 5.984 -1.152 -5.480 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.513 -1.104 -6.777 1.00 0.00 C ATOM 786 CD2 TYR A 51 4.711 -1.690 -5.264 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.767 -1.595 -7.855 1.00 0.00 C ATOM 788 CE2 TYR A 51 3.964 -2.181 -6.342 1.00 0.00 C ATOM 789 CZ TYR A 51 4.493 -2.133 -7.638 1.00 0.00 C ATOM 790 OH TYR A 51 3.759 -2.616 -8.701 1.00 0.00 O ATOM 0 H TYR A 51 6.674 1.072 -2.165 1.00 0.00 H new ATOM 0 HA TYR A 51 7.237 1.345 -5.066 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.835 -0.905 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.435 -1.066 -3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.496 -0.688 -6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.304 -1.727 -4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.175 -1.559 -8.854 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.981 -2.596 -6.174 1.00 0.00 H new ATOM 0 HH TYR A 51 3.143 -3.310 -8.385 1.00 0.00 H new ATOM 800 N ASN A 52 4.870 1.894 -5.560 1.00 0.00 N ATOM 801 CA ASN A 52 3.500 2.323 -5.823 1.00 0.00 C ATOM 802 C ASN A 52 2.751 1.266 -6.628 1.00 0.00 C ATOM 803 O ASN A 52 3.147 0.921 -7.740 1.00 0.00 O ATOM 804 CB ASN A 52 3.505 3.643 -6.595 1.00 0.00 C ATOM 805 CG ASN A 52 2.074 4.093 -6.868 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.126 3.376 -6.547 1.00 0.00 O ATOM 807 ND2 ASN A 52 1.860 5.244 -7.444 1.00 0.00 N ATOM 0 H ASN A 52 5.530 2.091 -6.312 1.00 0.00 H new ATOM 0 HA ASN A 52 2.995 2.462 -4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.032 4.406 -6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.042 3.522 -7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.905 5.552 -7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.647 5.836 -7.709 1.00 0.00 H new ATOM 814 N ASP A 53 1.663 0.759 -6.057 1.00 0.00 N ATOM 815 CA ASP A 53 0.862 -0.258 -6.729 1.00 0.00 C ATOM 816 C ASP A 53 -0.175 0.393 -7.637 1.00 0.00 C ATOM 817 O ASP A 53 -0.461 -0.104 -8.726 1.00 0.00 O ATOM 818 CB ASP A 53 0.157 -1.137 -5.695 1.00 0.00 C ATOM 819 CG ASP A 53 -0.906 -0.327 -4.960 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.730 0.875 -4.841 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.879 -0.920 -4.526 1.00 0.00 O ATOM 0 H ASP A 53 1.318 1.033 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 53 1.526 -0.874 -7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.303 -1.994 -6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.883 -1.530 -4.983 1.00 0.00 H new ATOM 826 N THR A 54 -0.734 1.511 -7.183 1.00 0.00 N ATOM 827 CA THR A 54 -1.742 2.222 -7.961 1.00 0.00 C ATOM 828 C THR A 54 -1.191 2.599 -9.332 1.00 0.00 C ATOM 829 O THR A 54 0.016 2.547 -9.563 1.00 0.00 O ATOM 830 CB THR A 54 -2.177 3.488 -7.219 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.029 4.252 -6.876 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.934 3.101 -5.947 1.00 0.00 C ATOM 0 H THR A 54 -0.508 1.941 -6.286 1.00 0.00 H new ATOM 0 HA THR A 54 -2.602 1.565 -8.094 1.00 0.00 H new ATOM 0 HB THR A 54 -2.829 4.080 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.268 3.652 -6.732 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.243 4.003 -5.419 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.814 2.515 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.284 2.509 -5.303 1.00 0.00 H new ATOM 840 N THR A 55 -2.086 2.977 -10.240 1.00 0.00 N ATOM 841 CA THR A 55 -1.677 3.362 -11.586 1.00 0.00 C ATOM 842 C THR A 55 -2.272 4.716 -11.962 1.00 0.00 C ATOM 843 O THR A 55 -2.155 5.160 -13.104 1.00 0.00 O ATOM 844 CB THR A 55 -2.134 2.304 -12.593 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.506 2.007 -12.373 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.300 1.034 -12.416 1.00 0.00 C ATOM 0 H THR A 55 -3.091 3.025 -10.070 1.00 0.00 H new ATOM 0 HA THR A 55 -0.590 3.438 -11.607 1.00 0.00 H new ATOM 0 HB THR A 55 -2.001 2.684 -13.606 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.802 1.331 -13.018 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.626 0.281 -13.134 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.248 1.263 -12.584 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.431 0.651 -11.404 1.00 0.00 H new ATOM 854 N GLN A 56 -2.912 5.365 -10.994 1.00 0.00 N ATOM 855 CA GLN A 56 -3.510 6.674 -11.231 1.00 0.00 C ATOM 856 C GLN A 56 -3.288 7.591 -10.033 1.00 0.00 C ATOM 857 O GLN A 56 -3.763 8.727 -10.014 1.00 0.00 O ATOM 858 CB GLN A 56 -5.010 6.522 -11.489 1.00 0.00 C ATOM 859 CG GLN A 56 -5.726 6.221 -10.171 1.00 0.00 C ATOM 860 CD GLN A 56 -7.131 5.698 -10.449 1.00 0.00 C ATOM 861 OE1 GLN A 56 -8.023 6.469 -10.801 1.00 0.00 O ATOM 862 NE2 GLN A 56 -7.382 4.425 -10.312 1.00 0.00 N ATOM 0 H GLN A 56 -3.029 5.009 -10.045 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.033 7.118 -12.105 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.408 7.435 -11.931 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.187 5.718 -12.203 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.161 5.484 -9.601 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.779 7.123 -9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.641 3.788 -10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.319 4.067 -10.497 1.00 0.00 H new ATOM 871 N TYR A 57 -2.567 7.092 -9.036 1.00 0.00 N ATOM 872 CA TYR A 57 -2.290 7.878 -7.839 1.00 0.00 C ATOM 873 C TYR A 57 -0.790 7.931 -7.567 1.00 0.00 C ATOM 874 O TYR A 57 -0.113 6.903 -7.564 1.00 0.00 O ATOM 875 CB TYR A 57 -3.008 7.265 -6.636 1.00 0.00 C ATOM 876 CG TYR A 57 -4.501 7.408 -6.812 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.109 8.657 -6.640 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.275 6.292 -7.147 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.493 8.791 -6.804 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.660 6.425 -7.311 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.268 7.674 -7.140 1.00 0.00 C ATOM 882 OH TYR A 57 -8.633 7.805 -7.301 1.00 0.00 O ATOM 0 H TYR A 57 -2.166 6.154 -9.031 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.653 8.893 -8.001 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.742 6.212 -6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.690 7.761 -5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.510 9.518 -6.381 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.805 5.329 -7.279 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.962 9.755 -6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.258 5.564 -7.569 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.020 6.935 -7.534 1.00 0.00 H new ATOM 892 N GLU A 58 -0.278 9.136 -7.336 1.00 0.00 N ATOM 893 CA GLU A 58 1.133 9.308 -7.011 1.00 0.00 C ATOM 894 C GLU A 58 1.341 9.275 -5.500 1.00 0.00 C ATOM 895 O GLU A 58 0.608 9.920 -4.750 1.00 0.00 O ATOM 896 CB GLU A 58 1.641 10.637 -7.571 1.00 0.00 C ATOM 897 CG GLU A 58 0.558 11.705 -7.408 1.00 0.00 C ATOM 898 CD GLU A 58 1.091 13.062 -7.856 1.00 0.00 C ATOM 899 OE1 GLU A 58 2.257 13.131 -8.208 1.00 0.00 O ATOM 900 OE2 GLU A 58 0.327 14.013 -7.838 1.00 0.00 O ATOM 0 H GLU A 58 -0.815 10.002 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 58 1.693 8.489 -7.462 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.548 10.941 -7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.901 10.525 -8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.319 11.437 -7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.240 11.756 -6.367 1.00 0.00 H new ATOM 907 N MET A 59 2.341 8.519 -5.062 1.00 0.00 N ATOM 908 CA MET A 59 2.617 8.388 -3.635 1.00 0.00 C ATOM 909 C MET A 59 3.639 9.427 -3.185 1.00 0.00 C ATOM 910 O MET A 59 4.744 9.498 -3.723 1.00 0.00 O ATOM 911 CB MET A 59 3.146 6.984 -3.334 1.00 0.00 C ATOM 912 CG MET A 59 1.974 6.005 -3.243 1.00 0.00 C ATOM 913 SD MET A 59 0.849 6.280 -4.633 1.00 0.00 S ATOM 914 CE MET A 59 -0.587 5.428 -3.934 1.00 0.00 C ATOM 0 H MET A 59 2.970 7.991 -5.668 1.00 0.00 H new ATOM 0 HA MET A 59 1.688 8.553 -3.089 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.837 6.669 -4.116 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.704 6.987 -2.398 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.342 4.979 -3.256 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.444 6.142 -2.300 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.417 5.475 -4.639 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.333 4.386 -3.741 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.877 5.910 -3.000 1.00 0.00 H new ATOM 924 N HIS A 60 3.264 10.228 -2.193 1.00 0.00 N ATOM 925 CA HIS A 60 4.164 11.245 -1.663 1.00 0.00 C ATOM 926 C HIS A 60 4.626 10.865 -0.260 1.00 0.00 C ATOM 927 O HIS A 60 3.815 10.741 0.659 1.00 0.00 O ATOM 928 CB HIS A 60 3.455 12.602 -1.619 1.00 0.00 C ATOM 929 CG HIS A 60 3.045 12.997 -3.012 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.670 14.022 -3.703 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.074 12.514 -3.854 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.075 14.122 -4.906 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.095 13.225 -5.049 1.00 0.00 N ATOM 0 H HIS A 60 2.349 10.193 -1.743 1.00 0.00 H new ATOM 0 HA HIS A 60 5.033 11.313 -2.317 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.579 12.546 -0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.117 13.357 -1.195 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.441 14.596 -3.362 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.397 11.705 -3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.355 14.839 -5.663 1.00 0.00 H new ATOM 942 N VAL A 61 5.932 10.676 -0.101 1.00 0.00 N ATOM 943 CA VAL A 61 6.485 10.294 1.192 1.00 0.00 C ATOM 944 C VAL A 61 7.048 11.511 1.920 1.00 0.00 C ATOM 945 O VAL A 61 7.793 12.303 1.344 1.00 0.00 O ATOM 946 CB VAL A 61 7.591 9.255 1.000 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.249 8.952 2.346 1.00 0.00 C ATOM 948 CG2 VAL A 61 6.987 7.971 0.427 1.00 0.00 C ATOM 0 H VAL A 61 6.622 10.780 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 61 5.684 9.866 1.794 1.00 0.00 H new ATOM 0 HB VAL A 61 8.340 9.645 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.037 8.212 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.678 9.866 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.502 8.562 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.773 7.229 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.238 7.582 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.519 8.186 -0.534 1.00 0.00 H new ATOM 958 N LEU A 62 6.689 11.648 3.193 1.00 0.00 N ATOM 959 CA LEU A 62 7.176 12.761 4.001 1.00 0.00 C ATOM 960 C LEU A 62 7.452 12.299 5.428 1.00 0.00 C ATOM 961 O LEU A 62 6.556 12.290 6.271 1.00 0.00 O ATOM 962 CB LEU A 62 6.142 13.889 4.017 1.00 0.00 C ATOM 963 CG LEU A 62 6.709 15.091 4.772 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.763 15.785 3.909 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.579 16.074 5.086 1.00 0.00 C ATOM 0 H LEU A 62 6.067 11.007 3.685 1.00 0.00 H new ATOM 0 HA LEU A 62 8.103 13.129 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.885 14.175 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.223 13.547 4.494 1.00 0.00 H new ATOM 0 HG LEU A 62 7.167 14.753 5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.167 16.642 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.568 15.085 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.306 16.123 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.982 16.932 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.122 16.412 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.827 15.580 5.701 1.00 0.00 H new ATOM 977 N VAL A 63 8.696 11.912 5.690 1.00 0.00 N ATOM 978 CA VAL A 63 9.072 11.433 7.014 1.00 0.00 C ATOM 979 C VAL A 63 10.059 12.391 7.676 1.00 0.00 C ATOM 980 O VAL A 63 11.013 12.849 7.046 1.00 0.00 O ATOM 981 CB VAL A 63 9.705 10.045 6.904 1.00 0.00 C ATOM 982 CG1 VAL A 63 10.026 9.516 8.304 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.725 9.094 6.214 1.00 0.00 C ATOM 0 H VAL A 63 9.455 11.920 5.009 1.00 0.00 H new ATOM 0 HA VAL A 63 8.172 11.378 7.627 1.00 0.00 H new ATOM 0 HB VAL A 63 10.624 10.110 6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.477 8.527 8.225 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.722 10.194 8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.108 9.450 8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.174 8.104 6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.807 9.030 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.495 9.469 5.217 1.00 0.00 H new ATOM 993 N THR A 64 9.823 12.686 8.950 1.00 0.00 N ATOM 994 CA THR A 64 10.703 13.580 9.694 1.00 0.00 C ATOM 995 C THR A 64 11.520 12.793 10.714 1.00 0.00 C ATOM 996 O THR A 64 11.014 11.865 11.346 1.00 0.00 O ATOM 997 CB THR A 64 9.879 14.649 10.412 1.00 0.00 C ATOM 998 OG1 THR A 64 9.151 15.406 9.454 1.00 0.00 O ATOM 999 CG2 THR A 64 10.811 15.575 11.196 1.00 0.00 C ATOM 0 H THR A 64 9.035 12.322 9.486 1.00 0.00 H new ATOM 0 HA THR A 64 11.383 14.061 8.991 1.00 0.00 H new ATOM 0 HB THR A 64 9.184 14.170 11.102 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.621 16.091 9.913 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.222 16.336 11.707 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.368 14.994 11.931 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.508 16.056 10.510 1.00 0.00 H new ATOM 1007 N PHE A 65 12.787 13.166 10.869 1.00 0.00 N ATOM 1008 CA PHE A 65 13.661 12.485 11.815 1.00 0.00 C ATOM 1009 C PHE A 65 14.244 13.475 12.820 1.00 0.00 C ATOM 1010 O PHE A 65 14.167 14.688 12.628 1.00 0.00 O ATOM 1011 CB PHE A 65 14.797 11.786 11.066 1.00 0.00 C ATOM 1012 CG PHE A 65 14.255 11.165 9.801 1.00 0.00 C ATOM 1013 CD1 PHE A 65 13.680 9.890 9.838 1.00 0.00 C ATOM 1014 CD2 PHE A 65 14.325 11.867 8.590 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.176 9.314 8.665 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.822 11.292 7.418 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.247 10.015 7.455 1.00 0.00 C ATOM 0 H PHE A 65 13.227 13.930 10.356 1.00 0.00 H new ATOM 0 HA PHE A 65 13.071 11.744 12.355 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.583 12.502 10.825 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.246 11.019 11.697 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.625 9.350 10.772 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.767 12.852 8.562 1.00 0.00 H new ATOM 0 HE1 PHE A 65 12.733 8.330 8.694 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.877 11.833 6.485 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.859 9.571 6.550 1.00 0.00 H new ATOM 1027 N ASN A 66 14.824 12.946 13.893 1.00 0.00 N ATOM 1028 CA ASN A 66 15.430 13.789 14.917 1.00 0.00 C ATOM 1029 C ASN A 66 16.872 14.126 14.551 1.00 0.00 C ATOM 1030 O ASN A 66 17.509 13.411 13.778 1.00 0.00 O ATOM 1031 CB ASN A 66 15.400 13.072 16.268 1.00 0.00 C ATOM 1032 CG ASN A 66 15.742 14.051 17.386 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.999 15.001 17.629 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.829 13.873 18.086 1.00 0.00 N ATOM 0 H ASN A 66 14.887 11.944 14.075 1.00 0.00 H new ATOM 0 HA ASN A 66 14.858 14.715 14.983 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.413 12.642 16.439 1.00 0.00 H new ATOM 0 HB3 ASN A 66 16.111 12.246 16.266 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.064 14.522 18.837 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.443 13.085 17.882 1.00 0.00 H new ATOM 1041 N GLU A 67 17.379 15.219 15.113 1.00 0.00 N ATOM 1042 CA GLU A 67 18.745 15.643 14.835 1.00 0.00 C ATOM 1043 C GLU A 67 19.707 14.467 14.964 1.00 0.00 C ATOM 1044 O GLU A 67 20.498 14.197 14.061 1.00 0.00 O ATOM 1045 CB GLU A 67 19.157 16.750 15.809 1.00 0.00 C ATOM 1046 CG GLU A 67 20.669 16.968 15.725 1.00 0.00 C ATOM 1047 CD GLU A 67 21.036 18.310 16.349 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.165 18.923 16.944 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.183 18.705 16.223 1.00 0.00 O ATOM 0 H GLU A 67 16.869 15.822 15.758 1.00 0.00 H new ATOM 0 HA GLU A 67 18.787 16.023 13.814 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.632 17.674 15.569 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.874 16.478 16.826 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.190 16.162 16.242 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.992 16.941 14.684 1.00 0.00 H new ATOM 1056 N ASP A 68 19.633 13.770 16.093 1.00 0.00 N ATOM 1057 CA ASP A 68 20.507 12.629 16.335 1.00 0.00 C ATOM 1058 C ASP A 68 20.000 11.398 15.591 1.00 0.00 C ATOM 1059 O ASP A 68 19.370 10.520 16.181 1.00 0.00 O ATOM 1060 CB ASP A 68 20.575 12.331 17.834 1.00 0.00 C ATOM 1061 CG ASP A 68 21.275 13.472 18.563 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.836 14.323 17.891 1.00 0.00 O ATOM 1063 OD2 ASP A 68 21.241 13.479 19.783 1.00 0.00 O ATOM 0 H ASP A 68 18.981 13.974 16.850 1.00 0.00 H new ATOM 0 HA ASP A 68 21.504 12.875 15.969 1.00 0.00 H new ATOM 0 HB2 ASP A 68 19.569 12.197 18.232 1.00 0.00 H new ATOM 0 HB3 ASP A 68 21.112 11.397 18.003 1.00 0.00 H new ATOM 1068 N CYS A 69 20.279 11.340 14.293 1.00 0.00 N ATOM 1069 CA CYS A 69 19.861 10.202 13.483 1.00 0.00 C ATOM 1070 C CYS A 69 20.783 10.030 12.280 1.00 0.00 C ATOM 1071 O CYS A 69 20.828 10.883 11.394 1.00 0.00 O ATOM 1072 CB CYS A 69 18.423 10.406 13.000 1.00 0.00 C ATOM 1073 SG CYS A 69 17.360 10.784 14.415 1.00 0.00 S ATOM 0 H CYS A 69 20.789 12.061 13.783 1.00 0.00 H new ATOM 0 HA CYS A 69 19.915 9.304 14.098 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.383 11.218 12.274 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.067 9.509 12.494 1.00 0.00 H new ATOM 0 HG CYS A 69 17.801 10.162 15.468 1.00 0.00 H new ATOM 1079 N ASP A 70 21.514 8.921 12.255 1.00 0.00 N ATOM 1080 CA ASP A 70 22.430 8.647 11.153 1.00 0.00 C ATOM 1081 C ASP A 70 21.660 8.174 9.926 1.00 0.00 C ATOM 1082 O ASP A 70 21.567 6.974 9.664 1.00 0.00 O ATOM 1083 CB ASP A 70 23.442 7.578 11.569 1.00 0.00 C ATOM 1084 CG ASP A 70 24.577 7.512 10.553 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.607 8.354 9.671 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.401 6.619 10.673 1.00 0.00 O ATOM 0 H ASP A 70 21.491 8.202 12.978 1.00 0.00 H new ATOM 0 HA ASP A 70 22.958 9.567 10.904 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.840 7.807 12.557 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.950 6.608 11.641 1.00 0.00 H new ATOM 1091 N ILE A 71 21.108 9.123 9.177 1.00 0.00 N ATOM 1092 CA ILE A 71 20.332 8.790 7.988 1.00 0.00 C ATOM 1093 C ILE A 71 20.921 9.469 6.756 1.00 0.00 C ATOM 1094 O ILE A 71 21.607 10.487 6.865 1.00 0.00 O ATOM 1095 CB ILE A 71 18.880 9.236 8.174 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.842 10.740 8.453 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.263 8.484 9.355 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.394 11.181 8.680 1.00 0.00 C ATOM 0 H ILE A 71 21.183 10.122 9.370 1.00 0.00 H new ATOM 0 HA ILE A 71 20.366 7.710 7.844 1.00 0.00 H new ATOM 0 HB ILE A 71 18.314 9.019 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.446 10.973 9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.273 11.287 7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.229 8.801 9.488 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.291 7.412 9.159 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.829 8.702 10.261 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.367 12.252 8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.803 10.962 7.791 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.979 10.643 9.533 1.00 0.00 H new ATOM 1110 N LYS A 72 20.652 8.900 5.585 1.00 0.00 N ATOM 1111 CA LYS A 72 21.162 9.460 4.340 1.00 0.00 C ATOM 1112 C LYS A 72 20.042 9.597 3.313 1.00 0.00 C ATOM 1113 O LYS A 72 18.984 8.983 3.448 1.00 0.00 O ATOM 1114 CB LYS A 72 22.264 8.561 3.777 1.00 0.00 C ATOM 1115 CG LYS A 72 23.231 9.400 2.940 1.00 0.00 C ATOM 1116 CD LYS A 72 24.005 8.487 1.987 1.00 0.00 C ATOM 1117 CE LYS A 72 24.593 7.311 2.769 1.00 0.00 C ATOM 1118 NZ LYS A 72 25.696 6.693 1.980 1.00 0.00 N ATOM 0 H LYS A 72 20.088 8.058 5.473 1.00 0.00 H new ATOM 0 HA LYS A 72 21.570 10.449 4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.800 8.073 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.827 7.772 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.681 10.152 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.923 9.934 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.344 8.121 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.802 9.047 1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 72 24.968 7.653 3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 72 23.818 6.572 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 26.097 5.893 2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 25.324 6.353 1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 26.438 7.401 1.808 1.00 0.00 H new ATOM 1132 N ALA A 73 20.284 10.404 2.284 1.00 0.00 N ATOM 1133 CA ALA A 73 19.289 10.614 1.239 1.00 0.00 C ATOM 1134 C ALA A 73 19.637 9.799 -0.003 1.00 0.00 C ATOM 1135 O ALA A 73 20.780 9.804 -0.458 1.00 0.00 O ATOM 1136 CB ALA A 73 19.218 12.098 0.875 1.00 0.00 C ATOM 0 H ALA A 73 21.154 10.920 2.152 1.00 0.00 H new ATOM 0 HA ALA A 73 18.320 10.286 1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.472 12.246 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.940 12.676 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.191 12.431 0.515 1.00 0.00 H new ATOM 1142 N LEU A 74 18.645 9.100 -0.543 1.00 0.00 N ATOM 1143 CA LEU A 74 18.859 8.287 -1.736 1.00 0.00 C ATOM 1144 C LEU A 74 18.199 8.933 -2.950 1.00 0.00 C ATOM 1145 O LEU A 74 17.473 9.919 -2.824 1.00 0.00 O ATOM 1146 CB LEU A 74 18.282 6.886 -1.522 1.00 0.00 C ATOM 1147 CG LEU A 74 18.701 6.367 -0.146 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.005 5.035 0.133 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.217 6.164 -0.121 1.00 0.00 C ATOM 0 H LEU A 74 17.693 9.079 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 74 19.931 8.214 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.195 6.913 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.638 6.212 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 74 18.416 7.091 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.305 4.666 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 74 16.925 5.178 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.289 4.309 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.518 5.794 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.500 5.440 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.715 7.113 -0.319 1.00 0.00 H new ATOM 1161 N GLY A 75 18.458 8.372 -4.127 1.00 0.00 N ATOM 1162 CA GLY A 75 17.875 8.895 -5.356 1.00 0.00 C ATOM 1163 C GLY A 75 17.892 10.420 -5.361 1.00 0.00 C ATOM 1164 O GLY A 75 18.872 11.041 -4.950 1.00 0.00 O ATOM 0 H GLY A 75 19.063 7.561 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.430 8.518 -6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.850 8.538 -5.457 1.00 0.00 H new ATOM 1168 N LYS A 76 16.800 11.017 -5.828 1.00 0.00 N ATOM 1169 CA LYS A 76 16.700 12.471 -5.881 1.00 0.00 C ATOM 1170 C LYS A 76 16.065 13.010 -4.603 1.00 0.00 C ATOM 1171 O LYS A 76 15.792 14.205 -4.490 1.00 0.00 O ATOM 1172 CB LYS A 76 15.859 12.893 -7.087 1.00 0.00 C ATOM 1173 CG LYS A 76 14.549 12.105 -7.099 1.00 0.00 C ATOM 1174 CD LYS A 76 13.369 13.074 -7.188 1.00 0.00 C ATOM 1175 CE LYS A 76 12.083 12.292 -7.459 1.00 0.00 C ATOM 1176 NZ LYS A 76 10.919 13.223 -7.423 1.00 0.00 N ATOM 0 H LYS A 76 15.978 10.521 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 76 17.705 12.883 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.652 13.962 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.412 12.714 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.534 11.418 -7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.468 11.500 -6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.276 13.636 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.540 13.799 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.141 11.802 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.958 11.507 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.044 12.692 -7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.862 13.671 -6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.038 13.956 -8.151 1.00 0.00 H new ATOM 1190 N THR A 77 15.835 12.120 -3.643 1.00 0.00 N ATOM 1191 CA THR A 77 15.225 12.516 -2.379 1.00 0.00 C ATOM 1192 C THR A 77 15.943 13.728 -1.794 1.00 0.00 C ATOM 1193 O THR A 77 17.146 13.682 -1.534 1.00 0.00 O ATOM 1194 CB THR A 77 15.284 11.355 -1.384 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.634 10.222 -1.942 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.587 11.757 -0.085 1.00 0.00 C ATOM 0 H THR A 77 16.060 11.128 -3.715 1.00 0.00 H new ATOM 0 HA THR A 77 14.184 12.780 -2.566 1.00 0.00 H new ATOM 0 HB THR A 77 16.325 11.110 -1.173 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.287 9.677 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.630 10.929 0.622 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.087 12.626 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.546 12.004 -0.292 1.00 0.00 H new ATOM 1204 N LYS A 78 15.199 14.809 -1.590 1.00 0.00 N ATOM 1205 CA LYS A 78 15.777 16.028 -1.035 1.00 0.00 C ATOM 1206 C LYS A 78 15.913 15.913 0.480 1.00 0.00 C ATOM 1207 O LYS A 78 14.945 15.613 1.179 1.00 0.00 O ATOM 1208 CB LYS A 78 14.896 17.229 -1.381 1.00 0.00 C ATOM 1209 CG LYS A 78 15.610 18.520 -0.977 1.00 0.00 C ATOM 1210 CD LYS A 78 14.702 19.718 -1.260 1.00 0.00 C ATOM 1211 CE LYS A 78 15.465 21.014 -0.983 1.00 0.00 C ATOM 1212 NZ LYS A 78 14.581 22.181 -1.268 1.00 0.00 N ATOM 0 H LYS A 78 14.202 14.867 -1.798 1.00 0.00 H new ATOM 0 HA LYS A 78 16.767 16.169 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.680 17.239 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.940 17.153 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.869 18.489 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.544 18.620 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.366 19.696 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.811 19.668 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.795 21.039 0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.360 21.062 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.099 23.063 -1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.287 22.158 -2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.740 22.137 -0.658 1.00 0.00 H new ATOM 1226 N LEU A 79 17.120 16.153 0.980 1.00 0.00 N ATOM 1227 CA LEU A 79 17.373 16.065 2.414 1.00 0.00 C ATOM 1228 C LEU A 79 17.906 17.390 2.948 1.00 0.00 C ATOM 1229 O LEU A 79 18.857 17.953 2.405 1.00 0.00 O ATOM 1230 CB LEU A 79 18.387 14.955 2.698 1.00 0.00 C ATOM 1231 CG LEU A 79 18.724 14.940 4.190 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.442 14.759 5.002 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.681 13.782 4.484 1.00 0.00 C ATOM 0 H LEU A 79 17.933 16.408 0.419 1.00 0.00 H new ATOM 0 HA LEU A 79 16.432 15.836 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.979 13.990 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.292 15.116 2.112 1.00 0.00 H new ATOM 0 HG LEU A 79 19.197 15.883 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.683 14.748 6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.759 15.583 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.968 13.817 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.922 13.770 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.207 12.840 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.596 13.911 3.906 1.00 0.00 H new ATOM 1245 N GLU A 80 17.287 17.885 4.015 1.00 0.00 N ATOM 1246 CA GLU A 80 17.706 19.147 4.613 1.00 0.00 C ATOM 1247 C GLU A 80 17.356 19.177 6.097 1.00 0.00 C ATOM 1248 O GLU A 80 16.361 18.591 6.523 1.00 0.00 O ATOM 1249 CB GLU A 80 17.023 20.315 3.901 1.00 0.00 C ATOM 1250 CG GLU A 80 17.448 21.631 4.554 1.00 0.00 C ATOM 1251 CD GLU A 80 18.955 21.816 4.418 1.00 0.00 C ATOM 1252 OE1 GLU A 80 19.521 21.252 3.496 1.00 0.00 O ATOM 1253 OE2 GLU A 80 19.522 22.520 5.238 1.00 0.00 O ATOM 0 H GLU A 80 16.499 17.435 4.481 1.00 0.00 H new ATOM 0 HA GLU A 80 18.787 19.239 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.292 20.318 2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.940 20.204 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.927 22.465 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.166 21.632 5.607 1.00 0.00 H new ATOM 1260 N GLN A 81 18.182 19.864 6.881 1.00 0.00 N ATOM 1261 CA GLN A 81 17.945 19.972 8.315 1.00 0.00 C ATOM 1262 C GLN A 81 17.356 21.336 8.661 1.00 0.00 C ATOM 1263 O GLN A 81 17.613 22.325 7.974 1.00 0.00 O ATOM 1264 CB GLN A 81 19.255 19.772 9.078 1.00 0.00 C ATOM 1265 CG GLN A 81 18.970 19.727 10.581 1.00 0.00 C ATOM 1266 CD GLN A 81 20.263 19.481 11.349 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.302 19.204 10.747 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.264 19.566 12.651 1.00 0.00 N ATOM 0 H GLN A 81 19.015 20.351 6.550 1.00 0.00 H new ATOM 0 HA GLN A 81 17.234 19.198 8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.735 18.846 8.760 1.00 0.00 H new ATOM 0 HB3 GLN A 81 19.947 20.584 8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.519 20.666 10.902 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.251 18.937 10.800 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.403 19.795 13.148 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.126 19.403 13.172 1.00 0.00 H new ATOM 1277 N GLN A 82 16.565 21.381 9.728 1.00 0.00 N ATOM 1278 CA GLN A 82 15.946 22.630 10.156 1.00 0.00 C ATOM 1279 C GLN A 82 16.649 23.180 11.393 1.00 0.00 C ATOM 1280 O GLN A 82 17.462 22.495 12.012 1.00 0.00 O ATOM 1281 CB GLN A 82 14.466 22.399 10.468 1.00 0.00 C ATOM 1282 CG GLN A 82 13.934 21.259 9.598 1.00 0.00 C ATOM 1283 CD GLN A 82 14.268 21.520 8.133 1.00 0.00 C ATOM 1284 OE1 GLN A 82 14.744 20.551 7.400 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 14.092 22.636 7.645 1.00 0.00 N flip ATOM 0 H GLN A 82 16.339 20.573 10.308 1.00 0.00 H new ATOM 0 HA GLN A 82 16.038 23.355 9.347 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.339 22.155 11.523 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.897 23.310 10.281 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.372 20.313 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.855 21.169 9.723 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.720 23.391 8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.318 22.806 6.665 1.00 0.00 H new ATOM 1294 N GLU A 83 16.329 24.420 11.747 1.00 0.00 N ATOM 1295 CA GLU A 83 16.937 25.051 12.913 1.00 0.00 C ATOM 1296 C GLU A 83 16.532 24.320 14.189 1.00 0.00 C ATOM 1297 O GLU A 83 17.335 24.163 15.108 1.00 0.00 O ATOM 1298 CB GLU A 83 16.501 26.515 13.002 1.00 0.00 C ATOM 1299 CG GLU A 83 16.900 27.245 11.718 1.00 0.00 C ATOM 1300 CD GLU A 83 16.559 28.727 11.834 1.00 0.00 C ATOM 1301 OE1 GLU A 83 15.894 29.088 12.790 1.00 0.00 O ATOM 1302 OE2 GLU A 83 16.968 29.479 10.964 1.00 0.00 O ATOM 0 H GLU A 83 15.658 25.004 11.248 1.00 0.00 H new ATOM 0 HA GLU A 83 18.021 25.001 12.806 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.422 26.576 13.148 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.967 26.992 13.864 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.968 27.122 11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.380 26.809 10.865 1.00 0.00 H new ATOM 1309 N ASN A 84 15.279 23.876 14.238 1.00 0.00 N ATOM 1310 CA ASN A 84 14.777 23.164 15.408 1.00 0.00 C ATOM 1311 C ASN A 84 15.636 21.939 15.700 1.00 0.00 C ATOM 1312 O ASN A 84 15.694 21.465 16.835 1.00 0.00 O ATOM 1313 CB ASN A 84 13.330 22.729 15.171 1.00 0.00 C ATOM 1314 CG ASN A 84 13.213 22.018 13.827 1.00 0.00 C ATOM 1315 OD1 ASN A 84 13.996 21.008 13.562 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.387 22.393 12.994 1.00 0.00 N flip ATOM 0 H ASN A 84 14.598 23.995 13.488 1.00 0.00 H new ATOM 0 HA ASN A 84 14.820 23.836 16.265 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.005 22.065 15.972 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.672 23.598 15.191 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.775 23.182 13.202 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.314 21.914 12.096 1.00 0.00 H new ATOM 1323 N GLY A 85 16.304 21.430 14.669 1.00 0.00 N ATOM 1324 CA GLY A 85 17.168 20.266 14.830 1.00 0.00 C ATOM 1325 C GLY A 85 16.462 18.997 14.364 1.00 0.00 C ATOM 1326 O GLY A 85 16.383 18.014 15.099 1.00 0.00 O ATOM 0 H GLY A 85 16.264 21.802 13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.086 20.407 14.259 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.456 20.164 15.876 1.00 0.00 H new ATOM 1330 N GLU A 86 15.950 19.029 13.138 1.00 0.00 N ATOM 1331 CA GLU A 86 15.273 17.866 12.574 1.00 0.00 C ATOM 1332 C GLU A 86 15.628 17.702 11.099 1.00 0.00 C ATOM 1333 O GLU A 86 15.911 18.680 10.406 1.00 0.00 O ATOM 1334 CB GLU A 86 13.758 18.021 12.721 1.00 0.00 C ATOM 1335 CG GLU A 86 13.389 18.047 14.205 1.00 0.00 C ATOM 1336 CD GLU A 86 11.876 18.153 14.363 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.208 18.351 13.363 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.407 18.033 15.483 1.00 0.00 O ATOM 0 H GLU A 86 15.990 19.840 12.520 1.00 0.00 H new ATOM 0 HA GLU A 86 15.602 16.980 13.116 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.427 18.940 12.237 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.247 17.197 12.223 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.752 17.143 14.695 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.874 18.891 14.694 1.00 0.00 H new ATOM 1345 N TRP A 87 15.607 16.461 10.624 1.00 0.00 N ATOM 1346 CA TRP A 87 15.932 16.180 9.231 1.00 0.00 C ATOM 1347 C TRP A 87 14.664 15.887 8.435 1.00 0.00 C ATOM 1348 O TRP A 87 13.814 15.110 8.869 1.00 0.00 O ATOM 1349 CB TRP A 87 16.878 14.982 9.144 1.00 0.00 C ATOM 1350 CG TRP A 87 18.235 15.380 9.631 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.683 15.225 10.898 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.322 16.002 8.886 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.972 15.719 10.980 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.410 16.211 9.767 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.466 16.409 7.547 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.600 16.797 9.334 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.661 17.003 7.109 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.728 17.192 8.000 1.00 0.00 C ATOM 0 H TRP A 87 15.370 15.639 11.179 1.00 0.00 H new ATOM 0 HA TRP A 87 16.420 17.058 8.808 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.493 14.157 9.743 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.939 14.627 8.115 1.00 0.00 H new ATOM 0 HD1 TRP A 87 18.125 14.787 11.712 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.531 15.720 11.833 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.653 16.264 6.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.417 16.944 10.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.759 17.316 6.080 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.647 17.642 7.655 1.00 0.00 H new ATOM 1369 N VAL A 88 14.543 16.514 7.270 1.00 0.00 N ATOM 1370 CA VAL A 88 13.367 16.322 6.430 1.00 0.00 C ATOM 1371 C VAL A 88 13.747 15.616 5.131 1.00 0.00 C ATOM 1372 O VAL A 88 14.747 15.955 4.498 1.00 0.00 O ATOM 1373 CB VAL A 88 12.725 17.673 6.110 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.570 17.470 5.128 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.192 18.300 7.400 1.00 0.00 C ATOM 0 H VAL A 88 15.239 17.155 6.888 1.00 0.00 H new ATOM 0 HA VAL A 88 12.654 15.702 6.973 1.00 0.00 H new ATOM 0 HB VAL A 88 13.469 18.333 5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.113 18.433 4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.948 17.021 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.825 16.811 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.734 19.263 7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.448 17.640 7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.014 18.445 8.101 1.00 0.00 H new ATOM 1385 N ALA A 89 12.940 14.635 4.739 1.00 0.00 N ATOM 1386 CA ALA A 89 13.196 13.892 3.511 1.00 0.00 C ATOM 1387 C ALA A 89 11.889 13.580 2.791 1.00 0.00 C ATOM 1388 O ALA A 89 11.088 12.771 3.261 1.00 0.00 O ATOM 1389 CB ALA A 89 13.929 12.588 3.832 1.00 0.00 C ATOM 0 H ALA A 89 12.109 14.338 5.250 1.00 0.00 H new ATOM 0 HA ALA A 89 13.818 14.507 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.116 12.039 2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.878 12.814 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.316 11.980 4.497 1.00 0.00 H new ATOM 1395 N SER A 90 11.679 14.226 1.649 1.00 0.00 N ATOM 1396 CA SER A 90 10.454 14.023 0.883 1.00 0.00 C ATOM 1397 C SER A 90 10.778 13.598 -0.545 1.00 0.00 C ATOM 1398 O SER A 90 11.771 14.037 -1.125 1.00 0.00 O ATOM 1399 CB SER A 90 9.635 15.314 0.860 1.00 0.00 C ATOM 1400 OG SER A 90 10.290 16.270 0.037 1.00 0.00 O ATOM 0 H SER A 90 12.335 14.889 1.236 1.00 0.00 H new ATOM 0 HA SER A 90 9.875 13.233 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.633 15.116 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.521 15.704 1.871 1.00 0.00 H new ATOM 0 HG SER A 90 9.767 17.099 0.018 1.00 0.00 H new ATOM 1406 N VAL A 91 9.931 12.742 -1.108 1.00 0.00 N ATOM 1407 CA VAL A 91 10.124 12.278 -2.476 1.00 0.00 C ATOM 1408 C VAL A 91 8.829 11.689 -3.028 1.00 0.00 C ATOM 1409 O VAL A 91 8.083 11.025 -2.309 1.00 0.00 O ATOM 1410 CB VAL A 91 11.227 11.219 -2.518 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.701 9.910 -1.927 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.656 10.987 -3.969 1.00 0.00 C ATOM 0 H VAL A 91 9.110 12.358 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 91 10.415 13.129 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 91 12.082 11.562 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.487 9.155 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.395 10.074 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.846 9.566 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.442 10.232 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.801 10.644 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.031 11.919 -4.391 1.00 0.00 H new ATOM 1422 N VAL A 92 8.569 11.939 -4.307 1.00 0.00 N ATOM 1423 CA VAL A 92 7.357 11.435 -4.942 1.00 0.00 C ATOM 1424 C VAL A 92 7.664 10.198 -5.780 1.00 0.00 C ATOM 1425 O VAL A 92 8.635 10.173 -6.536 1.00 0.00 O ATOM 1426 CB VAL A 92 6.746 12.517 -5.833 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.402 12.033 -6.378 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.531 13.791 -5.011 1.00 0.00 C ATOM 0 H VAL A 92 9.176 12.483 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 92 6.647 11.163 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 92 7.420 12.726 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.967 12.805 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.552 11.125 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.727 11.823 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.095 14.564 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.857 13.579 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.488 14.138 -4.621 1.00 0.00 H new ATOM 1438 N VAL A 93 6.828 9.174 -5.641 1.00 0.00 N ATOM 1439 CA VAL A 93 7.015 7.939 -6.395 1.00 0.00 C ATOM 1440 C VAL A 93 5.926 7.790 -7.452 1.00 0.00 C ATOM 1441 O VAL A 93 4.738 7.928 -7.157 1.00 0.00 O ATOM 1442 CB VAL A 93 6.977 6.739 -5.448 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.285 5.460 -6.231 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.024 6.925 -4.346 1.00 0.00 C ATOM 0 H VAL A 93 6.020 9.174 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 93 7.985 7.979 -6.890 1.00 0.00 H new ATOM 0 HB VAL A 93 5.986 6.662 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.258 4.605 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.541 5.326 -7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.276 5.537 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.997 6.070 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.014 7.002 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.807 7.835 -3.787 1.00 0.00 H new ATOM 1454 N TYR A 94 6.337 7.506 -8.683 1.00 0.00 N ATOM 1455 CA TYR A 94 5.386 7.347 -9.777 1.00 0.00 C ATOM 1456 C TYR A 94 4.988 5.884 -9.931 1.00 0.00 C ATOM 1457 O TYR A 94 5.757 4.981 -9.598 1.00 0.00 O ATOM 1458 CB TYR A 94 6.003 7.853 -11.082 1.00 0.00 C ATOM 1459 CG TYR A 94 6.396 9.303 -10.923 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.421 10.262 -10.622 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.733 9.688 -11.077 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.784 11.606 -10.476 1.00 0.00 C ATOM 1463 CE2 TYR A 94 8.096 11.031 -10.930 1.00 0.00 C ATOM 1464 CZ TYR A 94 7.122 11.990 -10.630 1.00 0.00 C ATOM 1465 OH TYR A 94 7.480 13.315 -10.484 1.00 0.00 O ATOM 0 H TYR A 94 7.314 7.382 -8.947 1.00 0.00 H new ATOM 0 HA TYR A 94 4.494 7.931 -9.548 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.877 7.254 -11.340 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.290 7.746 -11.900 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.390 9.965 -10.503 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.485 8.948 -11.309 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.033 12.346 -10.245 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.128 11.328 -11.048 1.00 0.00 H new ATOM 0 HH TYR A 94 8.446 13.410 -10.622 1.00 0.00 H new ATOM 1475 N PRO A 95 3.805 5.639 -10.424 1.00 0.00 N ATOM 1476 CA PRO A 95 3.279 4.255 -10.615 1.00 0.00 C ATOM 1477 C PRO A 95 4.113 3.458 -11.616 1.00 0.00 C ATOM 1478 O PRO A 95 4.738 4.026 -12.511 1.00 0.00 O ATOM 1479 CB PRO A 95 1.855 4.466 -11.137 1.00 0.00 C ATOM 1480 CG PRO A 95 1.823 5.857 -11.681 1.00 0.00 C ATOM 1481 CD PRO A 95 2.824 6.670 -10.863 1.00 0.00 C ATOM 0 HA PRO A 95 3.313 3.677 -9.691 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.610 3.738 -11.910 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.123 4.341 -10.339 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.089 5.866 -12.738 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.822 6.281 -11.601 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.296 7.450 -11.461 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.348 7.163 -10.015 1.00 0.00 H new ATOM 1489 N CYS A 96 4.117 2.139 -11.454 1.00 0.00 N ATOM 1490 CA CYS A 96 4.880 1.272 -12.345 1.00 0.00 C ATOM 1491 C CYS A 96 6.366 1.605 -12.270 1.00 0.00 C ATOM 1492 O CYS A 96 7.107 1.403 -13.234 1.00 0.00 O ATOM 1493 CB CYS A 96 4.388 1.440 -13.784 1.00 0.00 C ATOM 1494 SG CYS A 96 4.978 0.055 -14.789 1.00 0.00 S ATOM 0 H CYS A 96 3.605 1.650 -10.720 1.00 0.00 H new ATOM 0 HA CYS A 96 4.734 0.238 -12.031 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.299 1.480 -13.805 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.750 2.382 -14.196 1.00 0.00 H new ATOM 0 HG CYS A 96 6.257 -0.095 -14.613 1.00 0.00 H new ATOM 1500 N GLU A 97 6.796 2.115 -11.121 1.00 0.00 N ATOM 1501 CA GLU A 97 8.196 2.472 -10.930 1.00 0.00 C ATOM 1502 C GLU A 97 8.554 2.460 -9.447 1.00 0.00 C ATOM 1503 O GLU A 97 7.686 2.615 -8.587 1.00 0.00 O ATOM 1504 CB GLU A 97 8.465 3.862 -11.510 1.00 0.00 C ATOM 1505 CG GLU A 97 9.962 4.020 -11.785 1.00 0.00 C ATOM 1506 CD GLU A 97 10.366 3.159 -12.976 1.00 0.00 C ATOM 1507 OE1 GLU A 97 9.497 2.828 -13.766 1.00 0.00 O ATOM 1508 OE2 GLU A 97 11.540 2.842 -13.083 1.00 0.00 O ATOM 0 H GLU A 97 6.199 2.289 -10.313 1.00 0.00 H new ATOM 0 HA GLU A 97 8.813 1.737 -11.448 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.899 3.999 -12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.130 4.630 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.195 5.066 -11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.535 3.729 -10.904 1.00 0.00 H new ATOM 1515 N THR A 98 9.838 2.277 -9.154 1.00 0.00 N ATOM 1516 CA THR A 98 10.301 2.251 -7.772 1.00 0.00 C ATOM 1517 C THR A 98 11.465 3.216 -7.579 1.00 0.00 C ATOM 1518 O THR A 98 12.363 3.298 -8.417 1.00 0.00 O ATOM 1519 CB THR A 98 10.741 0.834 -7.394 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.799 -0.102 -7.897 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.825 0.712 -5.871 1.00 0.00 C ATOM 0 H THR A 98 10.572 2.145 -9.850 1.00 0.00 H new ATOM 0 HA THR A 98 9.478 2.559 -7.127 1.00 0.00 H new ATOM 0 HB THR A 98 11.721 0.630 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.535 -0.717 -7.181 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.138 -0.297 -5.604 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.550 1.430 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.847 0.916 -5.435 1.00 0.00 H new ATOM 1529 N GLU A 99 11.444 3.947 -6.468 1.00 0.00 N ATOM 1530 CA GLU A 99 12.496 4.918 -6.184 1.00 0.00 C ATOM 1531 C GLU A 99 13.065 4.698 -4.786 1.00 0.00 C ATOM 1532 O GLU A 99 12.418 4.098 -3.928 1.00 0.00 O ATOM 1533 CB GLU A 99 11.940 6.338 -6.293 1.00 0.00 C ATOM 1534 CG GLU A 99 11.341 6.548 -7.685 1.00 0.00 C ATOM 1535 CD GLU A 99 10.869 7.989 -7.838 1.00 0.00 C ATOM 1536 OE1 GLU A 99 10.818 8.685 -6.837 1.00 0.00 O ATOM 1537 OE2 GLU A 99 10.563 8.377 -8.954 1.00 0.00 O ATOM 0 H GLU A 99 10.717 3.887 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 99 13.294 4.784 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.179 6.501 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.732 7.065 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.084 6.317 -8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.505 5.865 -7.837 1.00 0.00 H new ATOM 1544 N MET A 100 14.282 5.186 -4.567 1.00 0.00 N ATOM 1545 CA MET A 100 14.925 5.050 -3.264 1.00 0.00 C ATOM 1546 C MET A 100 14.534 6.206 -2.350 1.00 0.00 C ATOM 1547 O MET A 100 14.181 7.288 -2.818 1.00 0.00 O ATOM 1548 CB MET A 100 16.445 5.024 -3.433 1.00 0.00 C ATOM 1549 CG MET A 100 16.830 3.941 -4.442 1.00 0.00 C ATOM 1550 SD MET A 100 16.271 2.329 -3.838 1.00 0.00 S ATOM 1551 CE MET A 100 17.319 2.262 -2.364 1.00 0.00 C ATOM 0 H MET A 100 14.839 5.675 -5.268 1.00 0.00 H new ATOM 0 HA MET A 100 14.593 4.116 -2.812 1.00 0.00 H new ATOM 0 HB2 MET A 100 16.800 5.996 -3.775 1.00 0.00 H new ATOM 0 HB3 MET A 100 16.924 4.829 -2.474 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.379 4.155 -5.411 1.00 0.00 H new ATOM 0 HG3 MET A 100 17.910 3.932 -4.588 1.00 0.00 H new ATOM 0 HE1 MET A 100 17.658 1.238 -2.205 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.182 2.913 -2.501 1.00 0.00 H new ATOM 0 HE3 MET A 100 16.748 2.594 -1.497 1.00 0.00 H new ATOM 1561 N PHE A 101 14.604 5.970 -1.044 1.00 0.00 N ATOM 1562 CA PHE A 101 14.232 6.992 -0.073 1.00 0.00 C ATOM 1563 C PHE A 101 15.438 7.395 0.770 1.00 0.00 C ATOM 1564 O PHE A 101 16.313 8.127 0.308 1.00 0.00 O ATOM 1565 CB PHE A 101 13.122 6.468 0.841 1.00 0.00 C ATOM 1566 CG PHE A 101 12.710 7.555 1.805 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.510 8.861 1.342 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.488 7.250 3.152 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.100 9.864 2.228 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.078 8.252 4.040 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.884 9.559 3.577 1.00 0.00 C ATOM 0 H PHE A 101 14.912 5.087 -0.636 1.00 0.00 H new ATOM 0 HA PHE A 101 13.873 7.866 -0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.266 6.151 0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.471 5.593 1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.672 9.095 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.633 6.241 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.950 10.872 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.912 8.017 5.081 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.567 10.332 4.261 1.00 0.00 H new ATOM 1581 N ILE A 102 15.478 6.910 2.006 1.00 0.00 N ATOM 1582 CA ILE A 102 16.577 7.234 2.909 1.00 0.00 C ATOM 1583 C ILE A 102 17.274 5.962 3.383 1.00 0.00 C ATOM 1584 O ILE A 102 16.716 4.868 3.295 1.00 0.00 O ATOM 1585 CB ILE A 102 16.050 8.010 4.115 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.092 7.122 4.912 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.307 9.258 3.636 1.00 0.00 C ATOM 1588 CD1 ILE A 102 15.841 6.479 6.080 1.00 0.00 C ATOM 0 H ILE A 102 14.768 6.295 2.404 1.00 0.00 H new ATOM 0 HA ILE A 102 17.297 7.849 2.369 1.00 0.00 H new ATOM 0 HB ILE A 102 16.886 8.307 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.256 7.714 5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.673 6.350 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.931 9.811 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 102 15.988 9.891 3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.471 8.963 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.157 5.847 6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.662 5.873 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.238 7.258 6.731 1.00 0.00 H new ATOM 1600 N GLU A 103 18.495 6.114 3.885 1.00 0.00 N ATOM 1601 CA GLU A 103 19.258 4.971 4.374 1.00 0.00 C ATOM 1602 C GLU A 103 20.044 5.347 5.626 1.00 0.00 C ATOM 1603 O GLU A 103 20.372 6.515 5.838 1.00 0.00 O ATOM 1604 CB GLU A 103 20.220 4.483 3.291 1.00 0.00 C ATOM 1605 CG GLU A 103 21.047 3.314 3.829 1.00 0.00 C ATOM 1606 CD GLU A 103 21.907 2.727 2.716 1.00 0.00 C ATOM 1607 OE1 GLU A 103 21.858 3.254 1.616 1.00 0.00 O ATOM 1608 OE2 GLU A 103 22.601 1.759 2.979 1.00 0.00 O ATOM 0 H GLU A 103 18.975 7.011 3.964 1.00 0.00 H new ATOM 0 HA GLU A 103 18.560 4.172 4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.662 4.171 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 103 20.878 5.295 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.680 3.653 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.387 2.546 4.233 1.00 0.00 H new ATOM 1615 N GLY A 104 20.344 4.350 6.452 1.00 0.00 N ATOM 1616 CA GLY A 104 21.101 4.585 7.676 1.00 0.00 C ATOM 1617 C GLY A 104 20.312 4.132 8.900 1.00 0.00 C ATOM 1618 O GLY A 104 19.425 3.285 8.800 1.00 0.00 O ATOM 0 H GLY A 104 20.077 3.378 6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.049 4.049 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.338 5.645 7.763 1.00 0.00 H new ATOM 1622 N ARG A 105 20.640 4.704 10.055 1.00 0.00 N ATOM 1623 CA ARG A 105 19.959 4.346 11.294 1.00 0.00 C ATOM 1624 C ARG A 105 18.844 5.341 11.598 1.00 0.00 C ATOM 1625 O ARG A 105 18.994 6.542 11.371 1.00 0.00 O ATOM 1626 CB ARG A 105 20.959 4.324 12.452 1.00 0.00 C ATOM 1627 CG ARG A 105 20.286 3.745 13.698 1.00 0.00 C ATOM 1628 CD ARG A 105 21.270 3.772 14.869 1.00 0.00 C ATOM 1629 NE ARG A 105 22.420 2.922 14.581 1.00 0.00 N ATOM 1630 CZ ARG A 105 23.418 2.798 15.450 1.00 0.00 C ATOM 1631 NH1 ARG A 105 23.378 3.441 16.586 1.00 0.00 N ATOM 1632 NH2 ARG A 105 24.438 2.034 15.168 1.00 0.00 N ATOM 0 H ARG A 105 21.367 5.412 10.158 1.00 0.00 H new ATOM 0 HA ARG A 105 19.522 3.355 11.174 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.829 3.724 12.184 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.318 5.333 12.655 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.395 4.322 13.945 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.960 2.723 13.506 1.00 0.00 H new ATOM 0 HD2 ARG A 105 21.601 4.794 15.052 1.00 0.00 H new ATOM 0 HD3 ARG A 105 20.775 3.430 15.778 1.00 0.00 H new ATOM 0 HE ARG A 105 22.459 2.414 13.697 1.00 0.00 H new ATOM 0 HH11 ARG A 105 22.581 4.038 16.806 1.00 0.00 H new ATOM 0 HH12 ARG A 105 24.144 3.346 17.253 1.00 0.00 H new ATOM 0 HH21 ARG A 105 24.469 1.532 14.281 1.00 0.00 H new ATOM 0 HH22 ARG A 105 25.204 1.939 15.835 1.00 0.00 H new ATOM 1646 N VAL A 106 17.727 4.836 12.111 1.00 0.00 N ATOM 1647 CA VAL A 106 16.594 5.694 12.437 1.00 0.00 C ATOM 1648 C VAL A 106 16.129 5.456 13.870 1.00 0.00 C ATOM 1649 O VAL A 106 16.044 4.315 14.325 1.00 0.00 O ATOM 1650 CB VAL A 106 15.438 5.420 11.473 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.443 6.581 11.523 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.984 5.280 10.050 1.00 0.00 C ATOM 0 H VAL A 106 17.582 3.846 12.309 1.00 0.00 H new ATOM 0 HA VAL A 106 16.913 6.732 12.341 1.00 0.00 H new ATOM 0 HB VAL A 106 14.935 4.498 11.764 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.620 6.385 10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.054 6.683 12.536 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.946 7.504 11.233 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.161 5.085 9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.487 6.203 9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.693 4.453 10.012 1.00 0.00 H new ATOM 1662 N ASN A 107 15.825 6.541 14.574 1.00 0.00 N ATOM 1663 CA ASN A 107 15.368 6.445 15.955 1.00 0.00 C ATOM 1664 C ASN A 107 14.204 7.401 16.195 1.00 0.00 C ATOM 1665 O ASN A 107 14.328 8.608 15.988 1.00 0.00 O ATOM 1666 CB ASN A 107 16.513 6.781 16.912 1.00 0.00 C ATOM 1667 CG ASN A 107 16.720 8.290 16.971 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.710 8.830 16.314 1.00 0.00 O flip ATOM 1669 ND2 ASN A 107 15.958 8.997 17.631 1.00 0.00 N flip ATOM 0 H ASN A 107 15.886 7.493 14.213 1.00 0.00 H new ATOM 0 HA ASN A 107 15.034 5.424 16.139 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.290 6.397 17.908 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.430 6.293 16.581 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.185 8.573 18.144 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.100 10.007 17.665 1.00 0.00 H new ATOM 1676 N GLY A 108 13.073 6.855 16.628 1.00 0.00 N ATOM 1677 CA GLY A 108 11.895 7.674 16.890 1.00 0.00 C ATOM 1678 C GLY A 108 11.691 8.696 15.778 1.00 0.00 C ATOM 1679 O GLY A 108 12.311 9.760 15.781 1.00 0.00 O ATOM 0 H GLY A 108 12.947 5.858 16.804 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.014 7.037 16.971 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.007 8.186 17.845 1.00 0.00 H new ATOM 1683 N PHE A 109 10.826 8.366 14.825 1.00 0.00 N ATOM 1684 CA PHE A 109 10.569 9.262 13.703 1.00 0.00 C ATOM 1685 C PHE A 109 9.078 9.319 13.387 1.00 0.00 C ATOM 1686 O PHE A 109 8.329 8.395 13.705 1.00 0.00 O ATOM 1687 CB PHE A 109 11.333 8.778 12.470 1.00 0.00 C ATOM 1688 CG PHE A 109 10.895 7.374 12.129 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.460 6.282 12.797 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.917 7.165 11.148 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.050 4.981 12.484 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.505 5.864 10.836 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.072 4.772 11.504 1.00 0.00 C ATOM 0 H PHE A 109 10.296 7.495 14.806 1.00 0.00 H new ATOM 0 HA PHE A 109 10.907 10.262 13.976 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.146 9.444 11.628 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.406 8.800 12.661 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.213 6.443 13.554 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.481 8.008 10.632 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.488 4.138 12.998 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.750 5.703 10.081 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.755 3.768 11.263 1.00 0.00 H new ATOM 1703 N LYS A 110 8.656 10.409 12.755 1.00 0.00 N ATOM 1704 CA LYS A 110 7.256 10.571 12.379 1.00 0.00 C ATOM 1705 C LYS A 110 7.096 10.441 10.866 1.00 0.00 C ATOM 1706 O LYS A 110 7.807 11.090 10.099 1.00 0.00 O ATOM 1707 CB LYS A 110 6.747 11.940 12.834 1.00 0.00 C ATOM 1708 CG LYS A 110 5.258 12.067 12.504 1.00 0.00 C ATOM 1709 CD LYS A 110 4.685 13.308 13.193 1.00 0.00 C ATOM 1710 CE LYS A 110 5.168 14.564 12.465 1.00 0.00 C ATOM 1711 NZ LYS A 110 4.886 14.434 11.007 1.00 0.00 N ATOM 0 H LYS A 110 9.259 11.189 12.494 1.00 0.00 H new ATOM 0 HA LYS A 110 6.672 9.790 12.866 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.904 12.060 13.906 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.309 12.732 12.339 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.119 12.140 11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.724 11.176 12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.596 13.269 13.189 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.999 13.336 14.236 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.667 15.445 12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.237 14.703 12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.722 15.377 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.699 13.989 10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.040 13.845 10.868 1.00 0.00 H new ATOM 1725 N SER A 111 6.162 9.595 10.447 1.00 0.00 N ATOM 1726 CA SER A 111 5.931 9.371 9.024 1.00 0.00 C ATOM 1727 C SER A 111 4.585 9.945 8.594 1.00 0.00 C ATOM 1728 O SER A 111 3.574 9.766 9.273 1.00 0.00 O ATOM 1729 CB SER A 111 5.966 7.873 8.723 1.00 0.00 C ATOM 1730 OG SER A 111 7.167 7.318 9.245 1.00 0.00 O ATOM 0 H SER A 111 5.556 9.056 11.066 1.00 0.00 H new ATOM 0 HA SER A 111 6.719 9.877 8.466 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.101 7.381 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.911 7.705 7.647 1.00 0.00 H new ATOM 0 HG SER A 111 6.968 6.822 10.067 1.00 0.00 H new ATOM 1736 N LYS A 112 4.582 10.633 7.456 1.00 0.00 N ATOM 1737 CA LYS A 112 3.355 11.216 6.924 1.00 0.00 C ATOM 1738 C LYS A 112 3.272 10.988 5.418 1.00 0.00 C ATOM 1739 O LYS A 112 4.195 11.331 4.679 1.00 0.00 O ATOM 1740 CB LYS A 112 3.317 12.718 7.218 1.00 0.00 C ATOM 1741 CG LYS A 112 1.956 13.283 6.807 1.00 0.00 C ATOM 1742 CD LYS A 112 1.924 14.788 7.077 1.00 0.00 C ATOM 1743 CE LYS A 112 0.511 15.321 6.833 1.00 0.00 C ATOM 1744 NZ LYS A 112 0.000 14.797 5.535 1.00 0.00 N ATOM 0 H LYS A 112 5.412 10.800 6.887 1.00 0.00 H new ATOM 0 HA LYS A 112 2.504 10.733 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.492 12.896 8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.113 13.226 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.774 13.089 5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.161 12.786 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.228 14.990 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.634 15.300 6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.149 15.017 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.519 16.411 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.782 15.397 5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.766 14.805 4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.341 13.823 5.664 1.00 0.00 H new ATOM 1758 N MET A 113 2.167 10.402 4.970 1.00 0.00 N ATOM 1759 CA MET A 113 1.987 10.122 3.549 1.00 0.00 C ATOM 1760 C MET A 113 0.602 10.556 3.078 1.00 0.00 C ATOM 1761 O MET A 113 -0.279 10.848 3.886 1.00 0.00 O ATOM 1762 CB MET A 113 2.168 8.627 3.287 1.00 0.00 C ATOM 1763 CG MET A 113 3.539 8.181 3.797 1.00 0.00 C ATOM 1764 SD MET A 113 3.412 7.720 5.543 1.00 0.00 S ATOM 1765 CE MET A 113 3.118 5.952 5.290 1.00 0.00 C ATOM 0 H MET A 113 1.389 10.114 5.563 1.00 0.00 H new ATOM 0 HA MET A 113 2.736 10.686 2.994 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.381 8.062 3.786 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.081 8.421 2.220 1.00 0.00 H new ATOM 0 HG2 MET A 113 3.899 7.335 3.212 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.264 8.985 3.674 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.479 5.572 6.087 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.629 5.798 4.328 1.00 0.00 H new ATOM 0 HE3 MET A 113 4.069 5.420 5.303 1.00 0.00 H new ATOM 1775 N ASP A 114 0.423 10.593 1.761 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.856 10.987 1.180 1.00 0.00 C ATOM 1777 C ASP A 114 -1.033 10.349 -0.194 1.00 0.00 C ATOM 1778 O ASP A 114 -0.110 9.731 -0.724 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.923 12.511 1.052 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.368 12.953 0.845 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.225 12.089 0.761 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.597 14.149 0.773 1.00 0.00 O ATOM 0 H ASP A 114 1.144 10.356 1.079 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.657 10.644 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.516 12.978 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.309 12.841 0.214 1.00 0.00 H new ATOM 1787 N ALA A 115 -2.223 10.498 -0.766 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.504 9.925 -2.078 1.00 0.00 C ATOM 1789 C ALA A 115 -3.023 10.994 -3.034 1.00 0.00 C ATOM 1790 O ALA A 115 -4.229 11.211 -3.143 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.541 8.807 -1.950 1.00 0.00 C ATOM 0 H ALA A 115 -3.002 11.006 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.576 9.517 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.745 8.385 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -3.156 8.027 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.462 9.212 -1.531 1.00 0.00 H new ATOM 1797 N LEU A 116 -2.102 11.655 -3.728 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.476 12.692 -4.682 1.00 0.00 C ATOM 1799 C LEU A 116 -2.549 12.118 -6.093 1.00 0.00 C ATOM 1800 O LEU A 116 -1.935 11.092 -6.392 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.455 13.831 -4.641 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.883 13.951 -3.228 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.142 15.086 -3.184 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -2.017 14.250 -2.244 1.00 0.00 C ATOM 0 H LEU A 116 -1.098 11.492 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.458 13.077 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.653 13.641 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.928 14.768 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.398 13.015 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.549 15.170 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.950 14.874 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.341 16.023 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.611 14.336 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.502 15.186 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.747 13.441 -2.273 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.287 12.758 -6.958 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.422 12.331 -8.381 1.00 0.00 C ATOM 1818 C PRO A 117 -2.213 12.734 -9.219 1.00 0.00 C ATOM 1819 O PRO A 117 -1.677 13.832 -9.066 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.686 13.051 -8.864 1.00 0.00 C ATOM 1821 CG PRO A 117 -4.775 14.297 -8.047 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.119 13.986 -6.702 1.00 0.00 C ATOM 0 HA PRO A 117 -3.484 11.247 -8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.623 13.283 -9.927 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.569 12.428 -8.726 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.267 15.123 -8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.814 14.598 -7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.503 14.818 -6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.866 13.804 -5.930 1.00 0.00 H new ATOM 1830 N LEU A 118 -1.789 11.840 -10.108 1.00 0.00 N ATOM 1831 CA LEU A 118 -0.638 12.113 -10.960 1.00 0.00 C ATOM 1832 C LEU A 118 -0.677 13.552 -11.463 1.00 0.00 C ATOM 1833 O LEU A 118 -1.421 13.877 -12.388 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.629 11.156 -12.153 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.778 9.717 -11.657 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -0.606 8.753 -12.831 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.293 9.427 -10.602 1.00 0.00 C ATOM 0 H LEU A 118 -2.221 10.928 -10.256 1.00 0.00 H new ATOM 0 HA LEU A 118 0.268 11.967 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.442 11.402 -12.836 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.300 11.264 -12.712 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.767 9.585 -11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.712 7.727 -12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.366 8.958 -13.585 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.383 8.886 -13.269 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.187 8.401 -10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.282 9.559 -11.041 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.174 10.114 -9.764 1.00 0.00 H new ATOM 1849 N SER A 119 0.129 14.410 -10.847 1.00 0.00 N ATOM 1850 CA SER A 119 0.178 15.813 -11.241 1.00 0.00 C ATOM 1851 C SER A 119 0.705 15.952 -12.665 1.00 0.00 C ATOM 1852 O SER A 119 1.174 14.981 -13.261 1.00 0.00 O ATOM 1853 CB SER A 119 1.080 16.592 -10.284 1.00 0.00 C ATOM 1854 OG SER A 119 0.607 16.427 -8.953 1.00 0.00 O ATOM 0 H SER A 119 0.753 14.161 -10.079 1.00 0.00 H new ATOM 0 HA SER A 119 -0.833 16.218 -11.199 1.00 0.00 H new ATOM 0 HB2 SER A 119 2.107 16.236 -10.364 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.087 17.649 -10.551 1.00 0.00 H new ATOM 0 HG SER A 119 0.839 15.531 -8.632 1.00 0.00 H new ATOM 1860 N GLU A 120 0.626 17.164 -13.205 1.00 0.00 N ATOM 1861 CA GLU A 120 1.096 17.416 -14.562 1.00 0.00 C ATOM 1862 C GLU A 120 2.540 16.952 -14.719 1.00 0.00 C ATOM 1863 O GLU A 120 2.959 16.551 -15.805 1.00 0.00 O ATOM 1864 CB GLU A 120 1.000 18.909 -14.880 1.00 0.00 C ATOM 1865 CG GLU A 120 1.925 19.692 -13.947 1.00 0.00 C ATOM 1866 CD GLU A 120 1.702 21.190 -14.129 1.00 0.00 C ATOM 1867 OE1 GLU A 120 0.951 21.552 -15.020 1.00 0.00 O ATOM 1868 OE2 GLU A 120 2.286 21.951 -13.377 1.00 0.00 O ATOM 0 H GLU A 120 0.244 17.981 -12.728 1.00 0.00 H new ATOM 0 HA GLU A 120 0.467 16.858 -15.256 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.277 19.089 -15.919 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.028 19.251 -14.761 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.734 19.411 -12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.965 19.442 -14.158 1.00 0.00 H new ATOM 1875 N GLU A 121 3.297 17.007 -13.628 1.00 0.00 N ATOM 1876 CA GLU A 121 4.694 16.588 -13.655 1.00 0.00 C ATOM 1877 C GLU A 121 4.804 15.128 -14.079 1.00 0.00 C ATOM 1878 O GLU A 121 5.741 14.744 -14.780 1.00 0.00 O ATOM 1879 CB GLU A 121 5.322 16.771 -12.272 1.00 0.00 C ATOM 1880 CG GLU A 121 6.836 16.574 -12.369 1.00 0.00 C ATOM 1881 CD GLU A 121 7.464 17.734 -13.135 1.00 0.00 C ATOM 1882 OE1 GLU A 121 6.870 18.801 -13.147 1.00 0.00 O ATOM 1883 OE2 GLU A 121 8.528 17.539 -13.699 1.00 0.00 O ATOM 0 H GLU A 121 2.970 17.335 -12.720 1.00 0.00 H new ATOM 0 HA GLU A 121 5.227 17.206 -14.378 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.098 17.766 -11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.896 16.055 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.268 16.511 -11.370 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.057 15.633 -12.872 1.00 0.00 H new ATOM 1890 N TYR A 122 3.842 14.317 -13.651 1.00 0.00 N ATOM 1891 CA TYR A 122 3.845 12.900 -13.992 1.00 0.00 C ATOM 1892 C TYR A 122 3.871 12.717 -15.506 1.00 0.00 C ATOM 1893 O TYR A 122 4.647 11.919 -16.031 1.00 0.00 O ATOM 1894 CB TYR A 122 2.602 12.219 -13.416 1.00 0.00 C ATOM 1895 CG TYR A 122 2.476 10.830 -13.994 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.320 9.806 -13.547 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.498 10.560 -14.959 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.185 8.512 -14.064 1.00 0.00 C ATOM 1899 CE2 TYR A 122 1.367 9.268 -15.479 1.00 0.00 C ATOM 1900 CZ TYR A 122 2.210 8.243 -15.032 1.00 0.00 C ATOM 1901 OH TYR A 122 2.080 6.969 -15.545 1.00 0.00 O ATOM 0 H TYR A 122 3.057 14.614 -13.072 1.00 0.00 H new ATOM 0 HA TYR A 122 4.738 12.444 -13.564 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.673 12.167 -12.330 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.712 12.804 -13.650 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.075 10.014 -12.803 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.845 11.349 -15.302 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.833 7.721 -13.716 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.615 9.061 -16.226 1.00 0.00 H new ATOM 0 HH TYR A 122 1.356 6.954 -16.205 1.00 0.00 H new