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 -52:sc= -6.28! USER MOD Set 1.2: A 107 ASN : amide:sc= -3.11! C(o=-9.4!,f=-24!) USER MOD Set 2.1: A 56 GLN : amide:sc= -3.98! C(o=-3.9!,f=-7.2!) USER MOD Set 2.2: A 57 TYR OH : rot 120:sc= 0.0846 USER MOD Set 3.1: A 52 ASN : amide:sc= -3.72! C(o=-8.5!,f=-17!) USER MOD Set 3.2: A 54 THR OG1 : rot 2:sc= -3.5! USER MOD Set 3.3: A 59 MET CE :methyl 171:sc= -1.32 (180deg=-0.0696) USER MOD Set 4.1: A 20 THR OG1 : rot 170:sc= -0.449 USER MOD Set 4.2: A 98 THR OG1 : rot 129:sc= -0.0115 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.395 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.82! C(o=-5.7!,f=-2.8!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.603 USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= -3.65 (180deg=-6.14!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.88 K(o=-1.9,f=-8.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -112:sc= -3.68! (180deg=-5.09!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.316) USER MOD Single : A 47 GLN :FLIP amide:sc= 0.133! C(o=-3.2!,f=0.13!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 149:sc= 0.672 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-6.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.41) 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 112:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -154:sc= -0.532 (180deg=-1.25) USER MOD Single : A 81 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.5!) USER MOD Single : A 82 GLN :FLIP amide:sc= -1.77 F(o=-4.1!,f=-1.8) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.53 F(o=-12!,f=-3.5) 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 -44:sc= -0.122 USER MOD Single : A 100 MET CE :methyl 171:sc= -2.58! (180deg=-3.19!) USER MOD Single : A 110 LYS NZ :NH3+ -116:sc= -2.04 (180deg=-3.92!) USER MOD Single : A 111 SER OG : rot 130:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 156:sc= -0.0466 (180deg=-0.358) USER MOD Single : A 113 MET CE :methyl -144:sc= -0.206 (180deg=-0.257) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 14 0.600 -7.825 -4.024 1.00 0.00 N ATOM 157 CA TYR A 14 0.540 -6.715 -4.968 1.00 0.00 C ATOM 158 C TYR A 14 -0.562 -6.948 -5.995 1.00 0.00 C ATOM 159 O TYR A 14 -1.148 -8.028 -6.057 1.00 0.00 O ATOM 160 CB TYR A 14 1.884 -6.565 -5.684 1.00 0.00 C ATOM 161 CG TYR A 14 2.973 -6.323 -4.667 1.00 0.00 C ATOM 162 CD1 TYR A 14 2.955 -5.163 -3.884 1.00 0.00 C ATOM 163 CD2 TYR A 14 4.002 -7.259 -4.506 1.00 0.00 C ATOM 164 CE1 TYR A 14 3.964 -4.938 -2.941 1.00 0.00 C ATOM 165 CE2 TYR A 14 5.012 -7.034 -3.563 1.00 0.00 C ATOM 166 CZ TYR A 14 4.993 -5.874 -2.779 1.00 0.00 C ATOM 167 OH TYR A 14 5.988 -5.652 -1.849 1.00 0.00 O ATOM 0 HA TYR A 14 0.320 -5.802 -4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.103 -7.464 -6.260 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.841 -5.736 -6.391 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.162 -4.441 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.016 -8.155 -5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.949 -4.042 -2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.806 -7.756 -3.440 1.00 0.00 H new ATOM 0 HH TYR A 14 6.622 -6.399 -1.864 1.00 0.00 H new ATOM 177 N VAL A 15 -0.842 -5.927 -6.799 1.00 0.00 N ATOM 178 CA VAL A 15 -1.882 -6.032 -7.816 1.00 0.00 C ATOM 179 C VAL A 15 -1.439 -5.358 -9.110 1.00 0.00 C ATOM 180 O VAL A 15 -1.381 -5.992 -10.163 1.00 0.00 O ATOM 181 CB VAL A 15 -3.171 -5.380 -7.314 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.832 -4.304 -6.281 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.908 -4.738 -8.492 1.00 0.00 C ATOM 0 H VAL A 15 -0.368 -5.025 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.063 -7.088 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.805 -6.138 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.751 -3.840 -5.924 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.305 -4.758 -5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.198 -3.546 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.827 -4.273 -8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.272 -3.981 -8.950 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.151 -5.503 -9.230 1.00 0.00 H new ATOM 193 N ASN A 16 -1.128 -4.069 -9.024 1.00 0.00 N ATOM 194 CA ASN A 16 -0.714 -3.312 -10.199 1.00 0.00 C ATOM 195 C ASN A 16 0.599 -3.856 -10.753 1.00 0.00 C ATOM 196 O ASN A 16 0.867 -3.755 -11.950 1.00 0.00 O ATOM 197 CB ASN A 16 -0.546 -1.836 -9.836 1.00 0.00 C ATOM 198 CG ASN A 16 -1.911 -1.197 -9.607 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.222 -0.750 -8.421 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.717 -1.103 -10.533 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.154 -3.530 -8.159 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.485 -3.412 -10.963 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.064 -1.741 -8.938 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.020 -1.314 -10.635 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.473 -1.453 -11.459 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.629 -0.675 -10.374 1.00 0.00 H new ATOM 207 N GLY A 17 1.414 -4.430 -9.875 1.00 0.00 N ATOM 208 CA GLY A 17 2.697 -4.985 -10.289 1.00 0.00 C ATOM 209 C GLY A 17 3.593 -5.248 -9.082 1.00 0.00 C ATOM 210 O GLY A 17 3.278 -4.841 -7.964 1.00 0.00 O ATOM 0 H GLY A 17 1.211 -4.523 -8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.536 -5.914 -10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.193 -4.295 -10.971 1.00 0.00 H new ATOM 214 N ARG A 18 4.709 -5.930 -9.317 1.00 0.00 N ATOM 215 CA ARG A 18 5.641 -6.244 -8.242 1.00 0.00 C ATOM 216 C ARG A 18 6.705 -5.157 -8.120 1.00 0.00 C ATOM 217 O ARG A 18 7.067 -4.516 -9.107 1.00 0.00 O ATOM 218 CB ARG A 18 6.313 -7.592 -8.509 1.00 0.00 C ATOM 219 CG ARG A 18 5.280 -8.575 -9.064 1.00 0.00 C ATOM 220 CD ARG A 18 4.358 -9.038 -7.934 1.00 0.00 C ATOM 221 NE ARG A 18 5.137 -9.663 -6.870 1.00 0.00 N ATOM 222 CZ ARG A 18 4.584 -10.538 -6.038 1.00 0.00 C ATOM 223 NH1 ARG A 18 3.325 -10.853 -6.164 1.00 0.00 N ATOM 224 NH2 ARG A 18 5.302 -11.082 -5.093 1.00 0.00 N ATOM 0 H ARG A 18 4.988 -6.274 -10.236 1.00 0.00 H new ATOM 0 HA ARG A 18 5.083 -6.296 -7.307 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.131 -7.468 -9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.746 -7.984 -7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.696 -8.099 -9.852 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.782 -9.432 -9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.803 -8.188 -7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.624 -9.745 -8.321 1.00 0.00 H new ATOM 0 HE ARG A 18 6.123 -9.424 -6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.764 -10.427 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.901 -11.525 -5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.287 -10.835 -4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.878 -11.754 -4.453 1.00 0.00 H new ATOM 238 N PRO A 19 7.203 -4.943 -6.933 1.00 0.00 N ATOM 239 CA PRO A 19 8.262 -3.928 -6.672 1.00 0.00 C ATOM 240 C PRO A 19 9.625 -4.368 -7.202 1.00 0.00 C ATOM 241 O PRO A 19 10.025 -5.518 -7.034 1.00 0.00 O ATOM 242 CB PRO A 19 8.278 -3.811 -5.149 1.00 0.00 C ATOM 243 CG PRO A 19 7.774 -5.123 -4.642 1.00 0.00 C ATOM 244 CD PRO A 19 6.797 -5.663 -5.690 1.00 0.00 C ATOM 0 HA PRO A 19 8.058 -2.983 -7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.284 -3.609 -4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.645 -2.991 -4.812 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.598 -5.819 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.278 -4.999 -3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.884 -6.744 -5.803 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.762 -5.453 -5.422 1.00 0.00 H new ATOM 252 N THR A 20 10.332 -3.441 -7.842 1.00 0.00 N ATOM 253 CA THR A 20 11.647 -3.743 -8.394 1.00 0.00 C ATOM 254 C THR A 20 12.684 -3.845 -7.280 1.00 0.00 C ATOM 255 O THR A 20 13.806 -4.302 -7.502 1.00 0.00 O ATOM 256 CB THR A 20 12.062 -2.650 -9.382 1.00 0.00 C ATOM 257 OG1 THR A 20 12.278 -1.435 -8.677 1.00 0.00 O ATOM 258 CG2 THR A 20 10.957 -2.450 -10.419 1.00 0.00 C ATOM 0 H THR A 20 10.019 -2.482 -7.990 1.00 0.00 H new ATOM 0 HA THR A 20 11.592 -4.700 -8.913 1.00 0.00 H new ATOM 0 HB THR A 20 12.981 -2.947 -9.887 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.696 -0.780 -9.274 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.254 -1.671 -11.122 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.792 -3.382 -10.959 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.036 -2.153 -9.917 1.00 0.00 H new ATOM 266 N PHE A 21 12.302 -3.416 -6.081 1.00 0.00 N ATOM 267 CA PHE A 21 13.205 -3.464 -4.938 1.00 0.00 C ATOM 268 C PHE A 21 12.571 -4.238 -3.786 1.00 0.00 C ATOM 269 O PHE A 21 11.436 -3.966 -3.395 1.00 0.00 O ATOM 270 CB PHE A 21 13.541 -2.044 -4.479 1.00 0.00 C ATOM 271 CG PHE A 21 14.607 -2.096 -3.412 1.00 0.00 C ATOM 272 CD1 PHE A 21 15.955 -2.206 -3.775 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.248 -2.034 -2.060 1.00 0.00 C ATOM 274 CE1 PHE A 21 16.944 -2.254 -2.785 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.237 -2.082 -1.071 1.00 0.00 C ATOM 276 CZ PHE A 21 16.585 -2.191 -1.433 1.00 0.00 C ATOM 0 H PHE A 21 11.379 -3.033 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 21 14.120 -3.973 -5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.887 -1.450 -5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.647 -1.555 -4.091 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.232 -2.254 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.208 -1.949 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.984 -2.340 -3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.960 -2.035 -0.028 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.348 -2.226 -0.669 1.00 0.00 H new ATOM 286 N VAL A 22 13.310 -5.202 -3.247 1.00 0.00 N ATOM 287 CA VAL A 22 12.808 -6.009 -2.142 1.00 0.00 C ATOM 288 C VAL A 22 13.870 -6.153 -1.056 1.00 0.00 C ATOM 289 O VAL A 22 14.994 -6.576 -1.327 1.00 0.00 O ATOM 290 CB VAL A 22 12.404 -7.395 -2.649 1.00 0.00 C ATOM 291 CG1 VAL A 22 11.370 -8.005 -1.700 1.00 0.00 C ATOM 292 CG2 VAL A 22 11.797 -7.269 -4.048 1.00 0.00 C ATOM 0 H VAL A 22 14.252 -5.442 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 22 11.937 -5.508 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 22 13.284 -8.037 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.082 -8.992 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.800 -8.095 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.490 -7.363 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.509 -8.256 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.917 -6.627 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.532 -6.834 -4.726 1.00 0.00 H new ATOM 302 N GLY A 23 13.506 -5.798 0.172 1.00 0.00 N ATOM 303 CA GLY A 23 14.437 -5.891 1.289 1.00 0.00 C ATOM 304 C GLY A 23 14.094 -7.075 2.188 1.00 0.00 C ATOM 305 O GLY A 23 14.309 -8.228 1.820 1.00 0.00 O ATOM 0 H GLY A 23 12.581 -5.446 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.454 -5.999 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.408 -4.969 1.869 1.00 0.00 H new ATOM 309 N GLU A 24 13.557 -6.780 3.368 1.00 0.00 N ATOM 310 CA GLU A 24 13.186 -7.830 4.310 1.00 0.00 C ATOM 311 C GLU A 24 11.913 -7.452 5.060 1.00 0.00 C ATOM 312 O GLU A 24 10.924 -8.185 5.033 1.00 0.00 O ATOM 313 CB GLU A 24 14.320 -8.060 5.310 1.00 0.00 C ATOM 314 CG GLU A 24 14.005 -9.287 6.167 1.00 0.00 C ATOM 315 CD GLU A 24 15.098 -9.489 7.210 1.00 0.00 C ATOM 316 OE1 GLU A 24 16.015 -8.684 7.243 1.00 0.00 O ATOM 317 OE2 GLU A 24 15.004 -10.446 7.962 1.00 0.00 O ATOM 0 H GLU A 24 13.370 -5.831 3.693 1.00 0.00 H new ATOM 0 HA GLU A 24 13.005 -8.747 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.262 -8.205 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.443 -7.182 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.041 -9.159 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.926 -10.172 5.535 1.00 0.00 H new ATOM 324 N GLU A 25 11.944 -6.304 5.728 1.00 0.00 N ATOM 325 CA GLU A 25 10.783 -5.835 6.477 1.00 0.00 C ATOM 326 C GLU A 25 9.889 -4.970 5.594 1.00 0.00 C ATOM 327 O GLU A 25 10.324 -3.946 5.066 1.00 0.00 O ATOM 328 CB GLU A 25 11.238 -5.026 7.693 1.00 0.00 C ATOM 329 CG GLU A 25 10.033 -4.728 8.587 1.00 0.00 C ATOM 330 CD GLU A 25 10.460 -3.860 9.765 1.00 0.00 C ATOM 331 OE1 GLU A 25 11.625 -3.502 9.820 1.00 0.00 O ATOM 332 OE2 GLU A 25 9.616 -3.566 10.596 1.00 0.00 O ATOM 0 H GLU A 25 12.754 -5.685 5.767 1.00 0.00 H new ATOM 0 HA GLU A 25 10.214 -6.703 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.991 -5.582 8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.704 -4.095 7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.260 -4.219 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.599 -5.660 8.950 1.00 0.00 H new ATOM 339 N VAL A 26 8.638 -5.389 5.436 1.00 0.00 N ATOM 340 CA VAL A 26 7.692 -4.646 4.613 1.00 0.00 C ATOM 341 C VAL A 26 6.464 -4.253 5.428 1.00 0.00 C ATOM 342 O VAL A 26 5.972 -5.032 6.243 1.00 0.00 O ATOM 343 CB VAL A 26 7.261 -5.495 3.416 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.608 -4.599 2.363 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.490 -6.179 2.811 1.00 0.00 C ATOM 0 H VAL A 26 8.258 -6.233 5.864 1.00 0.00 H new ATOM 0 HA VAL A 26 8.183 -3.740 4.258 1.00 0.00 H new ATOM 0 HB VAL A 26 6.546 -6.250 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.301 -5.204 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.735 -4.109 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.322 -3.844 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.186 -6.785 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.203 -5.422 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.957 -6.817 3.561 1.00 0.00 H new ATOM 355 N THR A 27 5.975 -3.038 5.200 1.00 0.00 N ATOM 356 CA THR A 27 4.807 -2.548 5.924 1.00 0.00 C ATOM 357 C THR A 27 3.844 -1.847 4.971 1.00 0.00 C ATOM 358 O THR A 27 4.159 -1.635 3.800 1.00 0.00 O ATOM 359 CB THR A 27 5.244 -1.573 7.020 1.00 0.00 C ATOM 360 OG1 THR A 27 5.303 -0.258 6.486 1.00 0.00 O ATOM 361 CG2 THR A 27 6.623 -1.976 7.544 1.00 0.00 C ATOM 0 H THR A 27 6.365 -2.380 4.526 1.00 0.00 H new ATOM 0 HA THR A 27 4.298 -3.399 6.377 1.00 0.00 H new ATOM 0 HB THR A 27 4.525 -1.601 7.839 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.581 0.368 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.933 -1.281 8.324 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.576 -2.985 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.344 -1.950 6.727 1.00 0.00 H new ATOM 369 N LYS A 28 2.670 -1.490 5.481 1.00 0.00 N ATOM 370 CA LYS A 28 1.670 -0.812 4.664 1.00 0.00 C ATOM 371 C LYS A 28 1.201 0.470 5.344 1.00 0.00 C ATOM 372 O LYS A 28 0.325 0.439 6.209 1.00 0.00 O ATOM 373 CB LYS A 28 0.474 -1.736 4.429 1.00 0.00 C ATOM 374 CG LYS A 28 0.190 -2.538 5.701 1.00 0.00 C ATOM 375 CD LYS A 28 -1.163 -3.239 5.573 1.00 0.00 C ATOM 376 CE LYS A 28 -1.110 -4.245 4.422 1.00 0.00 C ATOM 377 NZ LYS A 28 -1.352 -3.539 3.132 1.00 0.00 N ATOM 0 H LYS A 28 2.389 -1.657 6.447 1.00 0.00 H new ATOM 0 HA LYS A 28 2.124 -0.556 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.403 -1.150 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.681 -2.412 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.978 -3.273 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.188 -1.877 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.410 -3.749 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.949 -2.505 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.139 -4.739 4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.860 -5.022 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.087 -4.041 2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.667 -2.566 3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.472 -3.516 2.578 1.00 0.00 H new ATOM 391 N GLY A 29 1.789 1.594 4.948 1.00 0.00 N ATOM 392 CA GLY A 29 1.418 2.881 5.522 1.00 0.00 C ATOM 393 C GLY A 29 -0.081 2.949 5.789 1.00 0.00 C ATOM 394 O GLY A 29 -0.516 2.962 6.940 1.00 0.00 O ATOM 0 H GLY A 29 2.519 1.640 4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.964 3.039 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.707 3.683 4.842 1.00 0.00 H new ATOM 398 N PHE A 30 -0.866 2.989 4.718 1.00 0.00 N ATOM 399 CA PHE A 30 -2.318 3.039 4.849 1.00 0.00 C ATOM 400 C PHE A 30 -2.888 1.638 5.046 1.00 0.00 C ATOM 401 O PHE A 30 -2.575 0.718 4.291 1.00 0.00 O ATOM 402 CB PHE A 30 -2.933 3.670 3.599 1.00 0.00 C ATOM 403 CG PHE A 30 -2.630 5.150 3.581 1.00 0.00 C ATOM 404 CD1 PHE A 30 -3.185 5.989 4.554 1.00 0.00 C ATOM 405 CD2 PHE A 30 -1.791 5.681 2.593 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.904 7.360 4.539 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.510 7.052 2.579 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.066 7.892 3.551 1.00 0.00 C ATOM 0 H PHE A 30 -0.525 2.988 3.757 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.564 3.645 5.721 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.532 3.195 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.011 3.508 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.830 5.578 5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.362 5.033 1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.333 8.008 5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.863 7.462 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.849 8.950 3.539 1.00 0.00 H new ATOM 418 N GLU A 31 -3.725 1.485 6.066 1.00 0.00 N ATOM 419 CA GLU A 31 -4.337 0.193 6.353 1.00 0.00 C ATOM 420 C GLU A 31 -5.546 -0.040 5.454 1.00 0.00 C ATOM 421 O GLU A 31 -6.145 -1.116 5.469 1.00 0.00 O ATOM 422 CB GLU A 31 -4.769 0.134 7.820 1.00 0.00 C ATOM 423 CG GLU A 31 -5.590 1.378 8.160 1.00 0.00 C ATOM 424 CD GLU A 31 -4.664 2.546 8.480 1.00 0.00 C ATOM 425 OE1 GLU A 31 -3.462 2.376 8.348 1.00 0.00 O ATOM 426 OE2 GLU A 31 -5.167 3.592 8.853 1.00 0.00 O ATOM 0 H GLU A 31 -3.994 2.234 6.704 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.601 -0.587 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.359 -0.765 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.893 0.076 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.237 1.636 7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.238 1.174 9.012 1.00 0.00 H new ATOM 433 N LYS A 32 -5.901 0.976 4.674 1.00 0.00 N ATOM 434 CA LYS A 32 -7.045 0.872 3.775 1.00 0.00 C ATOM 435 C LYS A 32 -6.609 0.339 2.414 1.00 0.00 C ATOM 436 O LYS A 32 -5.453 0.492 2.017 1.00 0.00 O ATOM 437 CB LYS A 32 -7.700 2.243 3.601 1.00 0.00 C ATOM 438 CG LYS A 32 -9.142 2.064 3.124 1.00 0.00 C ATOM 439 CD LYS A 32 -10.062 1.879 4.332 1.00 0.00 C ATOM 440 CE LYS A 32 -10.517 3.249 4.841 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.078 3.107 6.214 1.00 0.00 N ATOM 0 H LYS A 32 -5.418 1.874 4.646 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.764 0.179 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.683 2.788 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.139 2.837 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.455 2.933 2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.213 1.199 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.927 1.276 4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.539 1.341 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.677 3.943 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.268 3.667 4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.387 4.037 6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.890 2.458 6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.348 2.726 6.850 1.00 0.00 H new ATOM 455 N ASP A 33 -7.540 -0.288 1.704 1.00 0.00 N ATOM 456 CA ASP A 33 -7.242 -0.832 0.383 1.00 0.00 C ATOM 457 C ASP A 33 -6.114 -1.855 0.468 1.00 0.00 C ATOM 458 O ASP A 33 -5.845 -2.410 1.534 1.00 0.00 O ATOM 459 CB ASP A 33 -6.841 0.297 -0.569 1.00 0.00 C ATOM 460 CG ASP A 33 -7.964 1.325 -0.661 1.00 0.00 C ATOM 461 OD1 ASP A 33 -9.097 0.961 -0.393 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.674 2.460 -0.998 1.00 0.00 O ATOM 0 H ASP A 33 -8.500 -0.432 2.017 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.137 -1.325 0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.927 0.775 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.626 -0.109 -1.558 1.00 0.00 H new ATOM 467 N ASN A 34 -5.457 -2.099 -0.661 1.00 0.00 N ATOM 468 CA ASN A 34 -4.367 -3.068 -0.704 1.00 0.00 C ATOM 469 C ASN A 34 -3.073 -2.440 -0.193 1.00 0.00 C ATOM 470 O ASN A 34 -2.002 -2.655 -0.760 1.00 0.00 O ATOM 471 CB ASN A 34 -4.165 -3.563 -2.136 1.00 0.00 C ATOM 472 CG ASN A 34 -5.466 -4.149 -2.674 1.00 0.00 C ATOM 473 OD1 ASN A 34 -5.861 -3.855 -3.803 1.00 0.00 O ATOM 474 ND2 ASN A 34 -6.160 -4.964 -1.929 1.00 0.00 N ATOM 0 H ASN A 34 -5.657 -1.644 -1.552 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.628 -3.910 -0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.837 -2.740 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.379 -4.318 -2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.032 -5.359 -2.281 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.831 -5.206 -0.994 1.00 0.00 H new ATOM 481 N GLY A 35 -3.180 -1.665 0.880 1.00 0.00 N ATOM 482 CA GLY A 35 -2.011 -1.018 1.464 1.00 0.00 C ATOM 483 C GLY A 35 -1.563 0.165 0.614 1.00 0.00 C ATOM 484 O GLY A 35 -1.046 1.155 1.133 1.00 0.00 O ATOM 0 H GLY A 35 -4.058 -1.470 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.245 -0.678 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.197 -1.738 1.550 1.00 0.00 H new ATOM 488 N LEU A 36 -1.764 0.057 -0.695 1.00 0.00 N ATOM 489 CA LEU A 36 -1.378 1.125 -1.609 1.00 0.00 C ATOM 490 C LEU A 36 0.129 1.356 -1.560 1.00 0.00 C ATOM 491 O LEU A 36 0.857 0.960 -2.470 1.00 0.00 O ATOM 492 CB LEU A 36 -2.108 2.418 -1.237 1.00 0.00 C ATOM 493 CG LEU A 36 -3.591 2.120 -1.013 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.324 3.417 -0.664 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.189 1.526 -2.290 1.00 0.00 C ATOM 0 H LEU A 36 -2.189 -0.754 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.654 0.829 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.672 2.848 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.990 3.156 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.700 1.409 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.381 3.206 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.898 3.843 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.216 4.128 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.246 1.313 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.081 2.238 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.667 0.603 -2.541 1.00 0.00 H new ATOM 507 N LEU A 37 0.590 2.003 -0.493 1.00 0.00 N ATOM 508 CA LEU A 37 2.011 2.290 -0.343 1.00 0.00 C ATOM 509 C LEU A 37 2.671 1.271 0.581 1.00 0.00 C ATOM 510 O LEU A 37 2.195 1.023 1.689 1.00 0.00 O ATOM 511 CB LEU A 37 2.204 3.697 0.229 1.00 0.00 C ATOM 512 CG LEU A 37 3.698 4.013 0.315 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.287 4.087 -1.093 1.00 0.00 C ATOM 514 CD2 LEU A 37 3.894 5.357 1.020 1.00 0.00 C ATOM 0 H LEU A 37 0.005 2.335 0.274 1.00 0.00 H new ATOM 0 HA LEU A 37 2.478 2.229 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.702 4.430 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.750 3.765 1.218 1.00 0.00 H new ATOM 0 HG LEU A 37 4.203 3.228 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.352 4.312 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.147 3.130 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.783 4.871 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.958 5.584 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.388 6.141 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.475 5.305 2.025 1.00 0.00 H new ATOM 526 N PHE A 38 3.770 0.684 0.117 1.00 0.00 N ATOM 527 CA PHE A 38 4.496 -0.296 0.916 1.00 0.00 C ATOM 528 C PHE A 38 5.862 0.250 1.319 1.00 0.00 C ATOM 529 O PHE A 38 6.563 0.855 0.508 1.00 0.00 O ATOM 530 CB PHE A 38 4.676 -1.590 0.120 1.00 0.00 C ATOM 531 CG PHE A 38 3.335 -2.261 -0.058 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.827 -3.089 0.950 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.599 -2.055 -1.231 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.584 -3.711 0.785 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.356 -2.678 -1.397 1.00 0.00 C ATOM 536 CZ PHE A 38 0.849 -3.506 -0.389 1.00 0.00 C ATOM 0 H PHE A 38 4.175 0.868 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 38 3.919 -0.503 1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.118 -1.373 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.363 -2.258 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.394 -3.248 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.990 -1.415 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.192 -4.349 1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.789 -2.520 -2.302 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.110 -3.987 -0.517 1.00 0.00 H new ATOM 546 N ARG A 39 6.234 0.032 2.576 1.00 0.00 N ATOM 547 CA ARG A 39 7.524 0.497 3.072 1.00 0.00 C ATOM 548 C ARG A 39 8.540 -0.640 3.077 1.00 0.00 C ATOM 549 O ARG A 39 8.534 -1.486 3.970 1.00 0.00 O ATOM 550 CB ARG A 39 7.369 1.052 4.490 1.00 0.00 C ATOM 551 CG ARG A 39 8.661 1.759 4.904 1.00 0.00 C ATOM 552 CD ARG A 39 8.499 2.337 6.311 1.00 0.00 C ATOM 553 NE ARG A 39 8.443 1.260 7.294 1.00 0.00 N ATOM 554 CZ ARG A 39 8.359 1.521 8.594 1.00 0.00 C ATOM 555 NH1 ARG A 39 8.326 2.758 9.011 1.00 0.00 N ATOM 556 NH2 ARG A 39 8.310 0.541 9.454 1.00 0.00 N ATOM 0 H ARG A 39 5.665 -0.460 3.265 1.00 0.00 H new ATOM 0 HA ARG A 39 7.883 1.285 2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.532 1.749 4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.145 0.244 5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.495 1.058 4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.895 2.555 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.332 3.003 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.589 2.935 6.364 1.00 0.00 H new ATOM 0 HE ARG A 39 8.469 0.291 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.365 3.524 8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.261 2.958 10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.336 -0.425 9.128 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.246 0.741 10.452 1.00 0.00 H new ATOM 570 N ILE A 40 9.411 -0.651 2.073 1.00 0.00 N ATOM 571 CA ILE A 40 10.423 -1.695 1.965 1.00 0.00 C ATOM 572 C ILE A 40 11.716 -1.260 2.650 1.00 0.00 C ATOM 573 O ILE A 40 12.215 -0.161 2.411 1.00 0.00 O ATOM 574 CB ILE A 40 10.702 -2.001 0.492 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.375 -2.131 -0.260 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.481 -3.313 0.381 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.651 -2.500 -1.719 1.00 0.00 C ATOM 0 H ILE A 40 9.437 0.045 1.328 1.00 0.00 H new ATOM 0 HA ILE A 40 10.048 -2.592 2.458 1.00 0.00 H new ATOM 0 HB ILE A 40 11.290 -1.192 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.753 -2.894 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.822 -1.193 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.680 -3.531 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.425 -3.222 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.894 -4.123 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.707 -2.593 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.257 -1.722 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.186 -3.449 -1.759 1.00 0.00 H new ATOM 589 N VAL A 41 12.250 -2.129 3.501 1.00 0.00 N ATOM 590 CA VAL A 41 13.481 -1.819 4.219 1.00 0.00 C ATOM 591 C VAL A 41 14.469 -2.977 4.114 1.00 0.00 C ATOM 592 O VAL A 41 14.132 -4.123 4.411 1.00 0.00 O ATOM 593 CB VAL A 41 13.171 -1.543 5.691 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.460 -1.164 6.423 1.00 0.00 C ATOM 595 CG2 VAL A 41 12.173 -0.387 5.791 1.00 0.00 C ATOM 0 H VAL A 41 11.854 -3.046 3.710 1.00 0.00 H new ATOM 0 HA VAL A 41 13.928 -0.933 3.769 1.00 0.00 H new ATOM 0 HB VAL A 41 12.744 -2.437 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 41 14.238 -0.967 7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 41 15.174 -1.984 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.887 -0.270 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.950 -0.188 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.603 0.505 5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.254 -0.654 5.269 1.00 0.00 H new ATOM 605 N ASN A 42 15.690 -2.669 3.688 1.00 0.00 N ATOM 606 CA ASN A 42 16.723 -3.691 3.558 1.00 0.00 C ATOM 607 C ASN A 42 17.770 -3.537 4.657 1.00 0.00 C ATOM 608 O ASN A 42 18.598 -2.628 4.616 1.00 0.00 O ATOM 609 CB ASN A 42 17.398 -3.579 2.189 1.00 0.00 C ATOM 610 CG ASN A 42 18.025 -4.916 1.806 1.00 0.00 C ATOM 611 OD1 ASN A 42 18.772 -5.500 2.591 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.765 -5.436 0.638 1.00 0.00 N ATOM 0 H ASN A 42 15.987 -1.728 3.429 1.00 0.00 H new ATOM 0 HA ASN A 42 16.254 -4.670 3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.667 -3.282 1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.163 -2.803 2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.181 -6.329 0.373 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.146 -4.950 -0.010 1.00 0.00 H new ATOM 619 N LYS A 43 17.724 -4.431 5.639 1.00 0.00 N ATOM 620 CA LYS A 43 18.663 -4.377 6.754 1.00 0.00 C ATOM 621 C LYS A 43 20.101 -4.435 6.249 1.00 0.00 C ATOM 622 O LYS A 43 21.016 -3.917 6.891 1.00 0.00 O ATOM 623 CB LYS A 43 18.409 -5.546 7.707 1.00 0.00 C ATOM 624 CG LYS A 43 17.020 -5.403 8.331 1.00 0.00 C ATOM 625 CD LYS A 43 16.827 -6.482 9.398 1.00 0.00 C ATOM 626 CE LYS A 43 15.385 -6.441 9.909 1.00 0.00 C ATOM 627 NZ LYS A 43 15.187 -7.513 10.926 1.00 0.00 N ATOM 0 H LYS A 43 17.052 -5.197 5.686 1.00 0.00 H new ATOM 0 HA LYS A 43 18.514 -3.436 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.482 -6.491 7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.170 -5.565 8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.909 -4.414 8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 43 16.253 -5.495 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 43 17.049 -7.465 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.521 -6.321 10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.171 -5.466 10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.690 -6.578 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.207 -7.485 11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.375 -8.440 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.840 -7.362 11.721 1.00 0.00 H new ATOM 641 N LYS A 44 20.294 -5.069 5.097 1.00 0.00 N ATOM 642 CA LYS A 44 21.627 -5.189 4.518 1.00 0.00 C ATOM 643 C LYS A 44 22.302 -3.824 4.432 1.00 0.00 C ATOM 644 O LYS A 44 23.345 -3.597 5.045 1.00 0.00 O ATOM 645 CB LYS A 44 21.536 -5.805 3.121 1.00 0.00 C ATOM 646 CG LYS A 44 22.941 -6.154 2.624 1.00 0.00 C ATOM 647 CD LYS A 44 22.840 -7.132 1.451 1.00 0.00 C ATOM 648 CE LYS A 44 22.209 -6.425 0.250 1.00 0.00 C ATOM 649 NZ LYS A 44 22.957 -5.171 -0.040 1.00 0.00 N ATOM 0 H LYS A 44 19.551 -5.504 4.550 1.00 0.00 H new ATOM 0 HA LYS A 44 22.224 -5.835 5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.915 -6.700 3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.059 -5.106 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.463 -5.249 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.524 -6.597 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.830 -7.505 1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.239 -7.996 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 44 22.226 -7.080 -0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 44 21.163 -6.197 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 22.354 -4.350 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.813 -5.133 0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 23.228 -5.153 -1.044 1.00 0.00 H new ATOM 663 N LYS A 45 21.700 -2.920 3.667 1.00 0.00 N ATOM 664 CA LYS A 45 22.243 -1.575 3.520 1.00 0.00 C ATOM 665 C LYS A 45 21.399 -0.567 4.295 1.00 0.00 C ATOM 666 O LYS A 45 21.690 0.628 4.298 1.00 0.00 O ATOM 667 CB LYS A 45 22.278 -1.186 2.040 1.00 0.00 C ATOM 668 CG LYS A 45 23.068 -2.236 1.256 1.00 0.00 C ATOM 669 CD LYS A 45 24.540 -2.184 1.668 1.00 0.00 C ATOM 670 CE LYS A 45 25.397 -2.839 0.584 1.00 0.00 C ATOM 671 NZ LYS A 45 26.803 -2.954 1.064 1.00 0.00 N ATOM 0 H LYS A 45 20.842 -3.092 3.143 1.00 0.00 H new ATOM 0 HA LYS A 45 23.256 -1.566 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.264 -1.111 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.739 -0.205 1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.661 -3.229 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.973 -2.053 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 45 24.851 -1.150 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.681 -2.699 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 45 25.003 -3.826 0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 45 25.361 -2.247 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 27.386 -3.399 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 27.176 -2.007 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 26.829 -3.536 1.925 1.00 0.00 H new ATOM 685 N LYS A 46 20.355 -1.060 4.952 1.00 0.00 N ATOM 686 CA LYS A 46 19.472 -0.193 5.725 1.00 0.00 C ATOM 687 C LYS A 46 18.906 0.919 4.848 1.00 0.00 C ATOM 688 O LYS A 46 18.659 2.029 5.321 1.00 0.00 O ATOM 689 CB LYS A 46 20.237 0.419 6.898 1.00 0.00 C ATOM 690 CG LYS A 46 19.681 -0.129 8.214 1.00 0.00 C ATOM 691 CD LYS A 46 18.273 0.422 8.442 1.00 0.00 C ATOM 692 CE LYS A 46 17.939 0.369 9.933 1.00 0.00 C ATOM 693 NZ LYS A 46 18.090 -1.029 10.427 1.00 0.00 N ATOM 0 H LYS A 46 20.100 -2.048 4.966 1.00 0.00 H new ATOM 0 HA LYS A 46 18.646 -0.795 6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.298 0.186 6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.147 1.505 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.656 -1.218 8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.332 0.153 9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.210 1.448 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.547 -0.161 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.599 1.035 10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.920 0.717 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.600 -1.130 11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.677 -1.688 9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.099 -1.246 10.551 1.00 0.00 H new ATOM 707 N GLN A 47 18.701 0.617 3.570 1.00 0.00 N ATOM 708 CA GLN A 47 18.163 1.603 2.640 1.00 0.00 C ATOM 709 C GLN A 47 16.653 1.435 2.497 1.00 0.00 C ATOM 710 O GLN A 47 16.166 0.339 2.217 1.00 0.00 O ATOM 711 CB GLN A 47 18.827 1.451 1.270 1.00 0.00 C ATOM 712 CG GLN A 47 18.574 0.042 0.732 1.00 0.00 C ATOM 713 CD GLN A 47 19.524 -0.252 -0.424 1.00 0.00 C ATOM 714 OE1 GLN A 47 20.759 0.165 -0.365 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 19.130 -0.878 -1.409 1.00 0.00 N flip ATOM 0 H GLN A 47 18.897 -0.295 3.157 1.00 0.00 H new ATOM 0 HA GLN A 47 18.372 2.597 3.035 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.429 2.193 0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.899 1.633 1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.717 -0.691 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.541 -0.048 0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.164 -1.203 -1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.769 -1.071 -2.180 1.00 0.00 H new ATOM 724 N TRP A 48 15.920 2.524 2.695 1.00 0.00 N ATOM 725 CA TRP A 48 14.466 2.484 2.589 1.00 0.00 C ATOM 726 C TRP A 48 14.026 2.691 1.143 1.00 0.00 C ATOM 727 O TRP A 48 14.621 3.479 0.409 1.00 0.00 O ATOM 728 CB TRP A 48 13.848 3.569 3.472 1.00 0.00 C ATOM 729 CG TRP A 48 13.968 3.173 4.910 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.811 2.229 5.389 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.239 3.692 6.060 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.645 2.136 6.760 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.687 3.017 7.220 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.241 4.673 6.207 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.164 3.305 8.481 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.713 4.966 7.474 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.173 4.283 8.610 1.00 0.00 C ATOM 0 H TRP A 48 16.305 3.440 2.928 1.00 0.00 H new ATOM 0 HA TRP A 48 14.124 1.504 2.923 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.352 4.521 3.303 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.800 3.712 3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.500 1.644 4.798 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.167 1.495 7.357 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.879 5.204 5.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.522 2.776 9.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 10.948 5.722 7.575 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.762 4.512 9.582 1.00 0.00 H new ATOM 748 N ALA A 49 12.978 1.979 0.743 1.00 0.00 N ATOM 749 CA ALA A 49 12.459 2.095 -0.616 1.00 0.00 C ATOM 750 C ALA A 49 10.935 2.065 -0.608 1.00 0.00 C ATOM 751 O ALA A 49 10.321 1.409 0.234 1.00 0.00 O ATOM 752 CB ALA A 49 12.990 0.948 -1.478 1.00 0.00 C ATOM 0 H ALA A 49 12.474 1.319 1.336 1.00 0.00 H new ATOM 0 HA ALA A 49 12.792 3.045 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.598 1.042 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.079 0.987 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.672 -0.004 -1.053 1.00 0.00 H new ATOM 758 N TYR A 50 10.326 2.781 -1.548 1.00 0.00 N ATOM 759 CA TYR A 50 8.871 2.825 -1.637 1.00 0.00 C ATOM 760 C TYR A 50 8.399 2.393 -3.021 1.00 0.00 C ATOM 761 O TYR A 50 8.961 2.806 -4.036 1.00 0.00 O ATOM 762 CB TYR A 50 8.374 4.242 -1.346 1.00 0.00 C ATOM 763 CG TYR A 50 8.473 4.514 0.136 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.557 3.928 1.017 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.481 5.353 0.627 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.650 4.180 2.391 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.574 5.605 2.001 1.00 0.00 C ATOM 768 CZ TYR A 50 8.659 5.018 2.883 1.00 0.00 C ATOM 769 OH TYR A 50 8.750 5.266 4.238 1.00 0.00 O ATOM 0 H TYR A 50 10.813 3.334 -2.253 1.00 0.00 H new ATOM 0 HA TYR A 50 8.462 2.135 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.968 4.969 -1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.342 4.353 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.779 3.282 0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.186 5.806 -0.054 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.944 3.728 3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.351 6.252 2.380 1.00 0.00 H new ATOM 0 HH TYR A 50 9.505 5.866 4.411 1.00 0.00 H new ATOM 779 N TYR A 51 7.365 1.559 -3.052 1.00 0.00 N ATOM 780 CA TYR A 51 6.814 1.086 -4.316 1.00 0.00 C ATOM 781 C TYR A 51 5.363 1.533 -4.466 1.00 0.00 C ATOM 782 O TYR A 51 4.515 1.209 -3.635 1.00 0.00 O ATOM 783 CB TYR A 51 6.889 -0.441 -4.379 1.00 0.00 C ATOM 784 CG TYR A 51 6.002 -0.945 -5.492 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.447 -0.897 -6.818 1.00 0.00 C ATOM 786 CD2 TYR A 51 4.735 -1.462 -5.197 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.625 -1.365 -7.850 1.00 0.00 C ATOM 788 CE2 TYR A 51 3.912 -1.929 -6.229 1.00 0.00 C ATOM 789 CZ TYR A 51 4.357 -1.881 -7.555 1.00 0.00 C ATOM 790 OH TYR A 51 3.547 -2.342 -8.572 1.00 0.00 O ATOM 0 H TYR A 51 6.894 1.199 -2.222 1.00 0.00 H new ATOM 0 HA TYR A 51 7.400 1.512 -5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.918 -0.758 -4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.575 -0.870 -3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.425 -0.499 -7.045 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.392 -1.501 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.969 -1.328 -8.873 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.934 -2.326 -6.002 1.00 0.00 H new ATOM 0 HH TYR A 51 2.984 -3.071 -8.237 1.00 0.00 H new ATOM 800 N ASN A 52 5.085 2.279 -5.530 1.00 0.00 N ATOM 801 CA ASN A 52 3.733 2.770 -5.774 1.00 0.00 C ATOM 802 C ASN A 52 2.952 1.788 -6.641 1.00 0.00 C ATOM 803 O ASN A 52 3.457 1.299 -7.652 1.00 0.00 O ATOM 804 CB ASN A 52 3.789 4.132 -6.468 1.00 0.00 C ATOM 805 CG ASN A 52 2.376 4.624 -6.763 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.401 3.933 -6.466 1.00 0.00 O ATOM 807 ND2 ASN A 52 2.206 5.786 -7.332 1.00 0.00 N ATOM 0 H ASN A 52 5.771 2.555 -6.232 1.00 0.00 H new ATOM 0 HA ASN A 52 3.226 2.871 -4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.309 4.851 -5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.357 4.054 -7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.264 6.123 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.015 6.357 -7.577 1.00 0.00 H new ATOM 814 N ASP A 53 1.716 1.507 -6.241 1.00 0.00 N ATOM 815 CA ASP A 53 0.875 0.577 -6.985 1.00 0.00 C ATOM 816 C ASP A 53 -0.242 1.327 -7.703 1.00 0.00 C ATOM 817 O ASP A 53 -0.605 0.989 -8.829 1.00 0.00 O ATOM 818 CB ASP A 53 0.269 -0.457 -6.033 1.00 0.00 C ATOM 819 CG ASP A 53 -0.719 0.221 -5.089 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.559 1.405 -4.845 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.622 -0.455 -4.625 1.00 0.00 O ATOM 0 H ASP A 53 1.277 1.907 -5.412 1.00 0.00 H new ATOM 0 HA ASP A 53 1.492 0.069 -7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.236 -1.237 -6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.059 -0.942 -5.459 1.00 0.00 H new ATOM 826 N THR A 54 -0.782 2.347 -7.044 1.00 0.00 N ATOM 827 CA THR A 54 -1.859 3.139 -7.628 1.00 0.00 C ATOM 828 C THR A 54 -1.413 3.759 -8.948 1.00 0.00 C ATOM 829 O THR A 54 -0.465 4.544 -8.986 1.00 0.00 O ATOM 830 CB THR A 54 -2.280 4.245 -6.658 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.121 4.853 -6.105 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.130 3.647 -5.536 1.00 0.00 C ATOM 0 H THR A 54 -0.494 2.643 -6.111 1.00 0.00 H new ATOM 0 HA THR A 54 -2.707 2.481 -7.817 1.00 0.00 H new ATOM 0 HB THR A 54 -2.864 4.994 -7.192 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.320 4.445 -6.495 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.429 4.436 -4.846 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.019 3.181 -5.962 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.549 2.897 -5.000 1.00 0.00 H new ATOM 840 N THR A 55 -2.099 3.401 -10.028 1.00 0.00 N ATOM 841 CA THR A 55 -1.763 3.929 -11.345 1.00 0.00 C ATOM 842 C THR A 55 -2.499 5.240 -11.603 1.00 0.00 C ATOM 843 O THR A 55 -2.218 5.940 -12.575 1.00 0.00 O ATOM 844 CB THR A 55 -2.135 2.911 -12.425 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.517 2.596 -12.319 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.303 1.641 -12.240 1.00 0.00 C ATOM 0 H THR A 55 -2.886 2.752 -10.018 1.00 0.00 H new ATOM 0 HA THR A 55 -0.690 4.118 -11.377 1.00 0.00 H new ATOM 0 HB THR A 55 -1.933 3.333 -13.409 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.758 1.945 -13.011 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.569 0.917 -13.010 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.244 1.885 -12.321 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.503 1.215 -11.257 1.00 0.00 H new ATOM 854 N GLN A 56 -3.444 5.566 -10.725 1.00 0.00 N ATOM 855 CA GLN A 56 -4.215 6.794 -10.871 1.00 0.00 C ATOM 856 C GLN A 56 -3.590 7.921 -10.054 1.00 0.00 C ATOM 857 O GLN A 56 -3.449 9.045 -10.535 1.00 0.00 O ATOM 858 CB GLN A 56 -5.654 6.565 -10.405 1.00 0.00 C ATOM 859 CG GLN A 56 -6.462 7.850 -10.592 1.00 0.00 C ATOM 860 CD GLN A 56 -7.929 7.596 -10.261 1.00 0.00 C ATOM 861 OE1 GLN A 56 -8.332 6.450 -10.062 1.00 0.00 O ATOM 862 NE2 GLN A 56 -8.756 8.603 -10.188 1.00 0.00 N ATOM 0 H GLN A 56 -3.692 5.002 -9.912 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.213 7.078 -11.923 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.107 5.752 -10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.665 6.265 -9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.066 8.635 -9.948 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.368 8.202 -11.619 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.420 9.552 -10.353 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.738 8.441 -9.966 1.00 0.00 H new ATOM 871 N TYR A 57 -3.219 7.613 -8.815 1.00 0.00 N ATOM 872 CA TYR A 57 -2.619 8.611 -7.938 1.00 0.00 C ATOM 873 C TYR A 57 -1.166 8.260 -7.638 1.00 0.00 C ATOM 874 O TYR A 57 -0.788 7.089 -7.632 1.00 0.00 O ATOM 875 CB TYR A 57 -3.406 8.695 -6.629 1.00 0.00 C ATOM 876 CG TYR A 57 -4.853 8.348 -6.887 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.740 9.334 -7.333 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.306 7.040 -6.678 1.00 0.00 C ATOM 879 CE1 TYR A 57 -7.081 9.012 -7.573 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.648 6.718 -6.917 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.536 7.704 -7.363 1.00 0.00 C ATOM 882 OH TYR A 57 -8.858 7.387 -7.599 1.00 0.00 O ATOM 0 H TYR A 57 -3.322 6.688 -8.399 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.649 9.576 -8.444 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.983 8.011 -5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.331 9.699 -6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.390 10.343 -7.492 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.621 6.280 -6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.765 9.772 -7.920 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.998 5.709 -6.757 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.910 6.696 -8.292 1.00 0.00 H new ATOM 892 N GLU A 58 -0.355 9.283 -7.388 1.00 0.00 N ATOM 893 CA GLU A 58 1.051 9.071 -7.063 1.00 0.00 C ATOM 894 C GLU A 58 1.244 8.997 -5.551 1.00 0.00 C ATOM 895 O GLU A 58 0.493 9.605 -4.790 1.00 0.00 O ATOM 896 CB GLU A 58 1.898 10.210 -7.632 1.00 0.00 C ATOM 897 CG GLU A 58 1.066 11.494 -7.672 1.00 0.00 C ATOM 898 CD GLU A 58 1.929 12.661 -8.138 1.00 0.00 C ATOM 899 OE1 GLU A 58 3.127 12.474 -8.259 1.00 0.00 O ATOM 900 OE2 GLU A 58 1.378 13.725 -8.366 1.00 0.00 O ATOM 0 H GLU A 58 -0.645 10.261 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 58 1.369 8.128 -7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.786 10.359 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.242 9.956 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.218 11.367 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.659 11.704 -6.683 1.00 0.00 H new ATOM 907 N MET A 59 2.253 8.245 -5.125 1.00 0.00 N ATOM 908 CA MET A 59 2.527 8.089 -3.701 1.00 0.00 C ATOM 909 C MET A 59 3.548 9.122 -3.233 1.00 0.00 C ATOM 910 O MET A 59 4.677 9.157 -3.719 1.00 0.00 O ATOM 911 CB MET A 59 3.058 6.682 -3.423 1.00 0.00 C ATOM 912 CG MET A 59 1.888 5.699 -3.345 1.00 0.00 C ATOM 913 SD MET A 59 0.609 6.191 -4.529 1.00 0.00 S ATOM 914 CE MET A 59 -0.822 5.698 -3.536 1.00 0.00 C ATOM 0 H MET A 59 2.890 7.738 -5.739 1.00 0.00 H new ATOM 0 HA MET A 59 1.597 8.242 -3.153 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.748 6.380 -4.211 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.618 6.672 -2.488 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.233 4.688 -3.564 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.478 5.684 -2.335 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.735 6.058 -4.010 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.856 4.611 -3.462 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.737 6.127 -2.538 1.00 0.00 H new ATOM 924 N HIS A 60 3.142 9.959 -2.283 1.00 0.00 N ATOM 925 CA HIS A 60 4.032 10.981 -1.746 1.00 0.00 C ATOM 926 C HIS A 60 4.546 10.568 -0.371 1.00 0.00 C ATOM 927 O HIS A 60 3.766 10.212 0.512 1.00 0.00 O ATOM 928 CB HIS A 60 3.293 12.315 -1.639 1.00 0.00 C ATOM 929 CG HIS A 60 2.953 12.814 -3.016 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.581 13.914 -3.581 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.055 12.373 -3.956 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.056 14.095 -4.806 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.122 13.182 -5.086 1.00 0.00 N ATOM 0 H HIS A 60 2.209 9.950 -1.872 1.00 0.00 H new ATOM 0 HA HIS A 60 4.880 11.092 -2.422 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.384 12.193 -1.051 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.913 13.045 -1.119 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.308 14.482 -3.147 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.396 11.526 -3.836 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.354 14.883 -5.482 1.00 0.00 H new ATOM 942 N VAL A 61 5.863 10.614 -0.196 1.00 0.00 N ATOM 943 CA VAL A 61 6.467 10.230 1.075 1.00 0.00 C ATOM 944 C VAL A 61 6.989 11.455 1.819 1.00 0.00 C ATOM 945 O VAL A 61 7.711 12.276 1.254 1.00 0.00 O ATOM 946 CB VAL A 61 7.618 9.252 0.828 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.361 8.996 2.140 1.00 0.00 C ATOM 948 CG2 VAL A 61 7.057 7.931 0.296 1.00 0.00 C ATOM 0 H VAL A 61 6.527 10.910 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 61 5.703 9.750 1.687 1.00 0.00 H new ATOM 0 HB VAL A 61 8.306 9.678 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.181 8.299 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.759 9.936 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.673 8.570 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.875 7.233 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.370 7.507 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.526 8.111 -0.639 1.00 0.00 H new ATOM 958 N LEU A 62 6.619 11.567 3.090 1.00 0.00 N ATOM 959 CA LEU A 62 7.063 12.687 3.912 1.00 0.00 C ATOM 960 C LEU A 62 7.352 12.220 5.334 1.00 0.00 C ATOM 961 O LEU A 62 6.457 12.177 6.177 1.00 0.00 O ATOM 962 CB LEU A 62 5.990 13.777 3.937 1.00 0.00 C ATOM 963 CG LEU A 62 6.499 14.976 4.740 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.607 15.682 3.956 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.346 15.952 4.983 1.00 0.00 C ATOM 0 H LEU A 62 6.016 10.900 3.572 1.00 0.00 H new ATOM 0 HA LEU A 62 7.978 13.092 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.745 14.084 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.074 13.390 4.383 1.00 0.00 H new ATOM 0 HG LEU A 62 6.893 14.632 5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.970 16.536 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.428 14.987 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.213 16.026 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.707 16.807 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.953 16.296 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.556 15.450 5.541 1.00 0.00 H new ATOM 977 N VAL A 63 8.607 11.866 5.593 1.00 0.00 N ATOM 978 CA VAL A 63 8.997 11.383 6.912 1.00 0.00 C ATOM 979 C VAL A 63 9.991 12.337 7.565 1.00 0.00 C ATOM 980 O VAL A 63 10.965 12.760 6.940 1.00 0.00 O ATOM 981 CB VAL A 63 9.625 9.994 6.793 1.00 0.00 C ATOM 982 CG1 VAL A 63 9.978 9.470 8.186 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.628 9.041 6.129 1.00 0.00 C ATOM 0 H VAL A 63 9.366 11.904 4.912 1.00 0.00 H new ATOM 0 HA VAL A 63 8.104 11.328 7.535 1.00 0.00 H new ATOM 0 HB VAL A 63 10.530 10.056 6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.426 8.480 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.687 10.148 8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.074 9.408 8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.074 8.050 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.724 8.981 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.376 9.413 5.136 1.00 0.00 H new ATOM 993 N THR A 64 9.743 12.669 8.828 1.00 0.00 N ATOM 994 CA THR A 64 10.631 13.562 9.564 1.00 0.00 C ATOM 995 C THR A 64 11.372 12.793 10.654 1.00 0.00 C ATOM 996 O THR A 64 10.776 11.993 11.375 1.00 0.00 O ATOM 997 CB THR A 64 9.825 14.698 10.196 1.00 0.00 C ATOM 998 OG1 THR A 64 9.143 15.416 9.176 1.00 0.00 O ATOM 999 CG2 THR A 64 10.768 15.642 10.943 1.00 0.00 C ATOM 0 H THR A 64 8.940 12.335 9.361 1.00 0.00 H new ATOM 0 HA THR A 64 11.358 13.980 8.867 1.00 0.00 H new ATOM 0 HB THR A 64 9.100 14.284 10.897 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.624 16.143 9.579 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.192 16.451 11.393 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.291 15.091 11.725 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.494 16.058 10.245 1.00 0.00 H new ATOM 1007 N PHE A 65 12.673 13.040 10.766 1.00 0.00 N ATOM 1008 CA PHE A 65 13.483 12.361 11.771 1.00 0.00 C ATOM 1009 C PHE A 65 14.090 13.366 12.744 1.00 0.00 C ATOM 1010 O PHE A 65 14.252 14.543 12.418 1.00 0.00 O ATOM 1011 CB PHE A 65 14.599 11.567 11.091 1.00 0.00 C ATOM 1012 CG PHE A 65 14.097 11.025 9.774 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.101 11.840 8.635 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.628 9.709 9.690 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.634 11.339 7.414 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.162 9.208 8.470 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.165 10.022 7.331 1.00 0.00 C ATOM 0 H PHE A 65 13.185 13.699 10.179 1.00 0.00 H new ATOM 0 HA PHE A 65 12.839 11.680 12.328 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.467 12.206 10.927 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.922 10.749 11.734 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.464 12.855 8.699 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.626 9.080 10.568 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.635 11.968 6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.800 8.193 8.407 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.806 9.635 6.389 1.00 0.00 H new ATOM 1027 N ASN A 66 14.422 12.895 13.942 1.00 0.00 N ATOM 1028 CA ASN A 66 15.019 13.758 14.955 1.00 0.00 C ATOM 1029 C ASN A 66 16.508 13.949 14.688 1.00 0.00 C ATOM 1030 O ASN A 66 17.132 13.149 13.991 1.00 0.00 O ATOM 1031 CB ASN A 66 14.823 13.144 16.343 1.00 0.00 C ATOM 1032 CG ASN A 66 15.149 14.174 17.420 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.501 15.217 17.499 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.122 13.942 18.258 1.00 0.00 N ATOM 0 H ASN A 66 14.289 11.927 14.234 1.00 0.00 H new ATOM 0 HA ASN A 66 14.527 14.730 14.913 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.795 12.801 16.456 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.465 12.271 16.457 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.347 14.626 18.981 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.658 13.077 18.191 1.00 0.00 H new ATOM 1041 N GLU A 67 17.072 15.013 15.248 1.00 0.00 N ATOM 1042 CA GLU A 67 18.490 15.301 15.065 1.00 0.00 C ATOM 1043 C GLU A 67 19.326 14.055 15.339 1.00 0.00 C ATOM 1044 O GLU A 67 20.285 13.768 14.623 1.00 0.00 O ATOM 1045 CB GLU A 67 18.922 16.425 16.007 1.00 0.00 C ATOM 1046 CG GLU A 67 20.445 16.417 16.149 1.00 0.00 C ATOM 1047 CD GLU A 67 20.931 17.780 16.628 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.098 18.578 17.024 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.129 18.007 16.592 1.00 0.00 O ATOM 0 H GLU A 67 16.573 15.687 15.829 1.00 0.00 H new ATOM 0 HA GLU A 67 18.649 15.614 14.033 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.588 17.387 15.619 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.455 16.295 16.983 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.749 15.645 16.856 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.906 16.173 15.192 1.00 0.00 H new ATOM 1056 N ASP A 68 18.954 13.318 16.381 1.00 0.00 N ATOM 1057 CA ASP A 68 19.677 12.105 16.743 1.00 0.00 C ATOM 1058 C ASP A 68 19.256 10.944 15.848 1.00 0.00 C ATOM 1059 O ASP A 68 18.588 10.013 16.296 1.00 0.00 O ATOM 1060 CB ASP A 68 19.403 11.750 18.206 1.00 0.00 C ATOM 1061 CG ASP A 68 20.265 10.564 18.626 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.400 10.790 19.012 1.00 0.00 O ATOM 1063 OD2 ASP A 68 19.778 9.448 18.556 1.00 0.00 O ATOM 0 H ASP A 68 18.162 13.538 16.985 1.00 0.00 H new ATOM 0 HA ASP A 68 20.743 12.286 16.607 1.00 0.00 H new ATOM 0 HB2 ASP A 68 19.616 12.608 18.843 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.348 11.509 18.339 1.00 0.00 H new ATOM 1068 N CYS A 69 19.654 11.006 14.580 1.00 0.00 N ATOM 1069 CA CYS A 69 19.323 9.945 13.635 1.00 0.00 C ATOM 1070 C CYS A 69 20.351 9.891 12.509 1.00 0.00 C ATOM 1071 O CYS A 69 20.450 10.815 11.701 1.00 0.00 O ATOM 1072 CB CYS A 69 17.931 10.184 13.047 1.00 0.00 C ATOM 1073 SG CYS A 69 16.760 10.513 14.386 1.00 0.00 S ATOM 0 H CYS A 69 20.201 11.772 14.187 1.00 0.00 H new ATOM 0 HA CYS A 69 19.333 8.994 14.167 1.00 0.00 H new ATOM 0 HB2 CYS A 69 17.956 11.027 12.356 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.611 9.313 12.476 1.00 0.00 H new ATOM 0 HG CYS A 69 16.848 9.573 15.280 1.00 0.00 H new ATOM 1079 N ASP A 70 21.112 8.803 12.462 1.00 0.00 N ATOM 1080 CA ASP A 70 22.131 8.640 11.430 1.00 0.00 C ATOM 1081 C ASP A 70 21.492 8.205 10.115 1.00 0.00 C ATOM 1082 O ASP A 70 21.539 7.031 9.750 1.00 0.00 O ATOM 1083 CB ASP A 70 23.159 7.598 11.871 1.00 0.00 C ATOM 1084 CG ASP A 70 24.407 7.695 10.999 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.448 8.572 10.153 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.303 6.889 11.190 1.00 0.00 O ATOM 0 H ASP A 70 21.044 8.027 13.120 1.00 0.00 H new ATOM 0 HA ASP A 70 22.629 9.598 11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.423 7.755 12.917 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.731 6.598 11.797 1.00 0.00 H new ATOM 1091 N ILE A 71 20.896 9.160 9.410 1.00 0.00 N ATOM 1092 CA ILE A 71 20.242 8.863 8.139 1.00 0.00 C ATOM 1093 C ILE A 71 20.875 9.670 7.010 1.00 0.00 C ATOM 1094 O ILE A 71 21.475 10.719 7.243 1.00 0.00 O ATOM 1095 CB ILE A 71 18.751 9.194 8.233 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.577 10.683 8.539 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.114 8.367 9.352 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.089 11.009 8.663 1.00 0.00 C ATOM 0 H ILE A 71 20.851 10.139 9.693 1.00 0.00 H new ATOM 0 HA ILE A 71 20.367 7.802 7.924 1.00 0.00 H new ATOM 0 HB ILE A 71 18.267 8.958 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.094 10.938 9.464 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.026 11.283 7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.052 8.603 9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.237 7.306 9.136 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.599 8.603 10.300 1.00 0.00 H new ATOM 0 HD11 ILE A 71 16.966 12.070 8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.585 10.770 7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.653 10.420 9.470 1.00 0.00 H new ATOM 1110 N LYS A 72 20.737 9.172 5.784 1.00 0.00 N ATOM 1111 CA LYS A 72 21.303 9.854 4.625 1.00 0.00 C ATOM 1112 C LYS A 72 20.320 9.835 3.458 1.00 0.00 C ATOM 1113 O LYS A 72 19.400 9.018 3.422 1.00 0.00 O ATOM 1114 CB LYS A 72 22.608 9.175 4.207 1.00 0.00 C ATOM 1115 CG LYS A 72 23.501 10.184 3.483 1.00 0.00 C ATOM 1116 CD LYS A 72 24.606 9.441 2.731 1.00 0.00 C ATOM 1117 CE LYS A 72 24.116 9.081 1.326 1.00 0.00 C ATOM 1118 NZ LYS A 72 25.195 8.359 0.595 1.00 0.00 N ATOM 0 H LYS A 72 20.243 8.306 5.569 1.00 0.00 H new ATOM 0 HA LYS A 72 21.503 10.890 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 72 23.123 8.782 5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.396 8.328 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.908 10.776 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.938 10.879 4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 72 25.499 10.063 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.885 8.537 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 72 23.224 8.458 1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 72 23.836 9.984 0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 24.863 8.114 -0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 26.034 8.969 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 25.441 7.490 1.110 1.00 0.00 H new ATOM 1132 N ALA A 73 20.525 10.739 2.505 1.00 0.00 N ATOM 1133 CA ALA A 73 19.654 10.814 1.338 1.00 0.00 C ATOM 1134 C ALA A 73 20.179 9.918 0.221 1.00 0.00 C ATOM 1135 O ALA A 73 21.382 9.857 -0.025 1.00 0.00 O ATOM 1136 CB ALA A 73 19.572 12.259 0.840 1.00 0.00 C ATOM 0 H ALA A 73 21.280 11.424 2.517 1.00 0.00 H new ATOM 0 HA ALA A 73 18.660 10.472 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.920 12.307 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.170 12.894 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.568 12.607 0.567 1.00 0.00 H new ATOM 1142 N LEU A 74 19.266 9.222 -0.450 1.00 0.00 N ATOM 1143 CA LEU A 74 19.651 8.318 -1.529 1.00 0.00 C ATOM 1144 C LEU A 74 19.342 8.940 -2.887 1.00 0.00 C ATOM 1145 O LEU A 74 20.112 9.755 -3.396 1.00 0.00 O ATOM 1146 CB LEU A 74 18.901 6.992 -1.389 1.00 0.00 C ATOM 1147 CG LEU A 74 19.340 6.293 -0.100 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.425 5.097 0.171 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.782 5.806 -0.252 1.00 0.00 C ATOM 0 H LEU A 74 18.263 9.265 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 74 20.724 8.138 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.826 7.170 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.104 6.354 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 74 19.277 6.994 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.738 4.600 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.397 5.442 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.487 4.395 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 74 21.096 5.308 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.844 5.105 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.435 6.657 -0.445 1.00 0.00 H new ATOM 1161 N GLY A 75 18.213 8.550 -3.468 1.00 0.00 N ATOM 1162 CA GLY A 75 17.818 9.070 -4.773 1.00 0.00 C ATOM 1163 C GLY A 75 17.728 10.592 -4.748 1.00 0.00 C ATOM 1164 O GLY A 75 18.466 11.255 -4.019 1.00 0.00 O ATOM 0 H GLY A 75 17.559 7.881 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.540 8.757 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.854 8.649 -5.060 1.00 0.00 H new ATOM 1168 N LYS A 76 16.819 11.139 -5.548 1.00 0.00 N ATOM 1169 CA LYS A 76 16.649 12.586 -5.618 1.00 0.00 C ATOM 1170 C LYS A 76 16.055 13.117 -4.317 1.00 0.00 C ATOM 1171 O LYS A 76 15.883 14.325 -4.150 1.00 0.00 O ATOM 1172 CB LYS A 76 15.730 12.948 -6.786 1.00 0.00 C ATOM 1173 CG LYS A 76 14.271 12.885 -6.329 1.00 0.00 C ATOM 1174 CD LYS A 76 13.359 12.755 -7.549 1.00 0.00 C ATOM 1175 CE LYS A 76 11.953 13.238 -7.189 1.00 0.00 C ATOM 1176 NZ LYS A 76 11.075 13.152 -8.391 1.00 0.00 N ATOM 0 H LYS A 76 16.193 10.607 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 76 17.627 13.042 -5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.965 13.948 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.892 12.260 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.125 12.037 -5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.016 13.783 -5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.756 13.342 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.325 11.718 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.544 12.630 -6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.991 14.265 -6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.119 13.480 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.463 13.750 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.029 12.166 -8.718 1.00 0.00 H new ATOM 1190 N THR A 77 15.746 12.208 -3.398 1.00 0.00 N ATOM 1191 CA THR A 77 15.154 12.595 -2.124 1.00 0.00 C ATOM 1192 C THR A 77 15.906 13.777 -1.521 1.00 0.00 C ATOM 1193 O THR A 77 17.094 13.679 -1.216 1.00 0.00 O ATOM 1194 CB THR A 77 15.192 11.415 -1.151 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.387 10.359 -1.657 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.659 11.857 0.213 1.00 0.00 C ATOM 0 H THR A 77 15.895 11.205 -3.511 1.00 0.00 H new ATOM 0 HA THR A 77 14.119 12.888 -2.300 1.00 0.00 H new ATOM 0 HB THR A 77 16.220 11.068 -1.041 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.959 9.606 -1.915 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.687 11.015 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.278 12.666 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.632 12.205 0.107 1.00 0.00 H new ATOM 1204 N LYS A 78 15.207 14.894 -1.354 1.00 0.00 N ATOM 1205 CA LYS A 78 15.819 16.090 -0.786 1.00 0.00 C ATOM 1206 C LYS A 78 15.932 15.963 0.729 1.00 0.00 C ATOM 1207 O LYS A 78 14.938 15.744 1.420 1.00 0.00 O ATOM 1208 CB LYS A 78 14.982 17.322 -1.136 1.00 0.00 C ATOM 1209 CG LYS A 78 15.774 18.588 -0.800 1.00 0.00 C ATOM 1210 CD LYS A 78 14.834 19.796 -0.811 1.00 0.00 C ATOM 1211 CE LYS A 78 14.207 19.941 -2.198 1.00 0.00 C ATOM 1212 NZ LYS A 78 15.251 19.729 -3.240 1.00 0.00 N ATOM 0 H LYS A 78 14.223 14.997 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 78 16.819 16.200 -1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.725 17.311 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.045 17.308 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.243 18.487 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.576 18.731 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.055 19.671 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.384 20.701 -0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.402 19.217 -2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.765 20.931 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.982 20.233 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.163 20.093 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.338 18.713 -3.442 1.00 0.00 H new ATOM 1226 N LEU A 79 17.152 16.102 1.240 1.00 0.00 N ATOM 1227 CA LEU A 79 17.384 15.994 2.675 1.00 0.00 C ATOM 1228 C LEU A 79 17.919 17.309 3.232 1.00 0.00 C ATOM 1229 O LEU A 79 18.873 17.877 2.702 1.00 0.00 O ATOM 1230 CB LEU A 79 18.387 14.873 2.958 1.00 0.00 C ATOM 1231 CG LEU A 79 18.719 14.850 4.451 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.429 14.696 5.258 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.647 13.670 4.748 1.00 0.00 C ATOM 0 H LEU A 79 17.988 16.288 0.686 1.00 0.00 H new ATOM 0 HA LEU A 79 16.436 15.766 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.971 13.913 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.295 15.027 2.375 1.00 0.00 H new ATOM 0 HG LEU A 79 19.213 15.782 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.665 14.680 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.765 15.534 5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.936 13.764 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.884 13.653 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.152 12.739 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.567 13.777 4.173 1.00 0.00 H new ATOM 1245 N GLU A 80 17.297 17.786 4.305 1.00 0.00 N ATOM 1246 CA GLU A 80 17.719 19.035 4.928 1.00 0.00 C ATOM 1247 C GLU A 80 17.370 19.038 6.413 1.00 0.00 C ATOM 1248 O GLU A 80 16.440 18.355 6.843 1.00 0.00 O ATOM 1249 CB GLU A 80 17.038 20.220 4.238 1.00 0.00 C ATOM 1250 CG GLU A 80 15.526 19.995 4.212 1.00 0.00 C ATOM 1251 CD GLU A 80 14.841 21.139 3.472 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.210 21.388 2.336 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.958 21.749 4.052 1.00 0.00 O ATOM 0 H GLU A 80 16.505 17.331 4.758 1.00 0.00 H new ATOM 0 HA GLU A 80 18.800 19.125 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.270 21.145 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.417 20.330 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.299 19.047 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.142 19.928 5.230 1.00 0.00 H new ATOM 1260 N GLN A 81 18.121 19.810 7.191 1.00 0.00 N ATOM 1261 CA GLN A 81 17.884 19.889 8.628 1.00 0.00 C ATOM 1262 C GLN A 81 17.271 21.236 8.997 1.00 0.00 C ATOM 1263 O GLN A 81 17.510 22.242 8.330 1.00 0.00 O ATOM 1264 CB GLN A 81 19.200 19.702 9.385 1.00 0.00 C ATOM 1265 CG GLN A 81 18.915 19.581 10.883 1.00 0.00 C ATOM 1266 CD GLN A 81 20.217 19.365 11.646 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.266 19.154 11.038 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.213 19.405 12.950 1.00 0.00 N ATOM 0 H GLN A 81 18.893 20.386 6.855 1.00 0.00 H new ATOM 0 HA GLN A 81 17.188 19.097 8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.713 18.809 9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 81 19.863 20.547 9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.419 20.483 11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.234 18.749 11.066 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.343 19.580 13.452 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.080 19.261 13.467 1.00 0.00 H new ATOM 1277 N GLN A 82 16.477 21.247 10.064 1.00 0.00 N ATOM 1278 CA GLN A 82 15.834 22.476 10.513 1.00 0.00 C ATOM 1279 C GLN A 82 16.540 23.030 11.746 1.00 0.00 C ATOM 1280 O GLN A 82 17.378 22.359 12.348 1.00 0.00 O ATOM 1281 CB GLN A 82 14.365 22.206 10.842 1.00 0.00 C ATOM 1282 CG GLN A 82 13.847 21.063 9.967 1.00 0.00 C ATOM 1283 CD GLN A 82 14.134 21.359 8.499 1.00 0.00 C ATOM 1284 OE1 GLN A 82 14.827 20.507 7.794 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 13.714 22.394 7.981 1.00 0.00 N flip ATOM 0 H GLN A 82 16.265 20.425 10.629 1.00 0.00 H new ATOM 0 HA GLN A 82 15.897 23.211 9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.259 21.948 11.896 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.772 23.105 10.673 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.324 20.127 10.258 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.775 20.935 10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.173 23.058 8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.907 22.587 6.998 1.00 0.00 H new ATOM 1294 N GLU A 83 16.197 24.260 12.117 1.00 0.00 N ATOM 1295 CA GLU A 83 16.806 24.894 13.281 1.00 0.00 C ATOM 1296 C GLU A 83 16.428 24.149 14.556 1.00 0.00 C ATOM 1297 O GLU A 83 17.238 24.016 15.473 1.00 0.00 O ATOM 1298 CB GLU A 83 16.347 26.351 13.381 1.00 0.00 C ATOM 1299 CG GLU A 83 17.140 27.060 14.480 1.00 0.00 C ATOM 1300 CD GLU A 83 16.626 28.486 14.655 1.00 0.00 C ATOM 1301 OE1 GLU A 83 15.691 28.846 13.960 1.00 0.00 O ATOM 1302 OE2 GLU A 83 17.176 29.195 15.481 1.00 0.00 O ATOM 0 H GLU A 83 15.506 24.833 11.633 1.00 0.00 H new ATOM 0 HA GLU A 83 17.889 24.862 13.165 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.495 26.857 12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.280 26.393 13.602 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.047 26.513 15.418 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.199 27.075 14.224 1.00 0.00 H new ATOM 1309 N ASN A 84 15.190 23.666 14.607 1.00 0.00 N ATOM 1310 CA ASN A 84 14.712 22.940 15.778 1.00 0.00 C ATOM 1311 C ASN A 84 15.586 21.721 16.048 1.00 0.00 C ATOM 1312 O ASN A 84 15.668 21.241 17.179 1.00 0.00 O ATOM 1313 CB ASN A 84 13.265 22.493 15.560 1.00 0.00 C ATOM 1314 CG ASN A 84 13.132 21.804 14.207 1.00 0.00 C ATOM 1315 OD1 ASN A 84 13.903 20.790 13.923 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.304 22.199 13.387 1.00 0.00 N flip ATOM 0 H ASN A 84 14.505 23.763 13.858 1.00 0.00 H new ATOM 0 HA ASN A 84 14.762 23.606 16.639 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.962 21.812 16.356 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.598 23.354 15.606 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.702 22.992 13.611 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.219 21.734 12.483 1.00 0.00 H new ATOM 1323 N GLY A 85 16.239 21.224 15.002 1.00 0.00 N ATOM 1324 CA GLY A 85 17.113 20.065 15.139 1.00 0.00 C ATOM 1325 C GLY A 85 16.408 18.796 14.673 1.00 0.00 C ATOM 1326 O GLY A 85 16.324 17.813 15.411 1.00 0.00 O ATOM 0 H GLY A 85 16.180 21.603 14.057 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.021 20.217 14.555 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.418 19.955 16.180 1.00 0.00 H new ATOM 1330 N GLU A 86 15.903 18.823 13.444 1.00 0.00 N ATOM 1331 CA GLU A 86 15.226 17.661 12.880 1.00 0.00 C ATOM 1332 C GLU A 86 15.577 17.498 11.405 1.00 0.00 C ATOM 1333 O GLU A 86 15.886 18.474 10.720 1.00 0.00 O ATOM 1334 CB GLU A 86 13.712 17.814 13.031 1.00 0.00 C ATOM 1335 CG GLU A 86 13.343 17.819 14.517 1.00 0.00 C ATOM 1336 CD GLU A 86 11.830 17.914 14.678 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.160 18.118 13.679 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.364 17.782 15.798 1.00 0.00 O ATOM 0 H GLU A 86 15.949 19.631 12.823 1.00 0.00 H new ATOM 0 HA GLU A 86 15.558 16.775 13.421 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.381 18.740 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.201 16.997 12.522 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.712 16.911 14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.824 18.660 15.017 1.00 0.00 H new ATOM 1345 N TRP A 87 15.524 16.262 10.922 1.00 0.00 N ATOM 1346 CA TRP A 87 15.838 15.984 9.525 1.00 0.00 C ATOM 1347 C TRP A 87 14.563 15.693 8.738 1.00 0.00 C ATOM 1348 O TRP A 87 13.660 15.014 9.229 1.00 0.00 O ATOM 1349 CB TRP A 87 16.782 14.784 9.429 1.00 0.00 C ATOM 1350 CG TRP A 87 18.121 15.157 9.981 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.511 14.970 11.262 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.244 15.786 9.298 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.800 15.449 11.411 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.297 15.958 10.228 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.451 16.216 7.976 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.510 16.539 9.859 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.669 16.807 7.602 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.698 16.966 8.541 1.00 0.00 C ATOM 0 H TRP A 87 15.269 15.442 11.472 1.00 0.00 H new ATOM 0 HA TRP A 87 16.324 16.863 9.100 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.371 13.940 9.982 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.880 14.467 8.391 1.00 0.00 H new ATOM 0 HD1 TRP A 87 17.914 14.520 12.041 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.320 15.429 12.288 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.668 16.091 7.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.299 16.658 10.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.814 17.141 6.585 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.634 17.417 8.247 1.00 0.00 H new ATOM 1369 N VAL A 88 14.496 16.212 7.517 1.00 0.00 N ATOM 1370 CA VAL A 88 13.321 16.008 6.676 1.00 0.00 C ATOM 1371 C VAL A 88 13.721 15.399 5.335 1.00 0.00 C ATOM 1372 O VAL A 88 14.715 15.802 4.730 1.00 0.00 O ATOM 1373 CB VAL A 88 12.609 17.341 6.441 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.441 17.133 5.475 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.078 17.875 7.773 1.00 0.00 C ATOM 0 H VAL A 88 15.234 16.772 7.090 1.00 0.00 H new ATOM 0 HA VAL A 88 12.646 15.321 7.187 1.00 0.00 H new ATOM 0 HB VAL A 88 13.311 18.057 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.934 18.083 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.817 16.750 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.739 16.417 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.570 18.825 7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.376 17.158 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.909 18.023 8.463 1.00 0.00 H new ATOM 1385 N ALA A 89 12.939 14.427 4.877 1.00 0.00 N ATOM 1386 CA ALA A 89 13.220 13.769 3.606 1.00 0.00 C ATOM 1387 C ALA A 89 11.924 13.483 2.854 1.00 0.00 C ATOM 1388 O ALA A 89 11.175 12.573 3.213 1.00 0.00 O ATOM 1389 CB ALA A 89 13.972 12.459 3.849 1.00 0.00 C ATOM 0 H ALA A 89 12.112 14.079 5.362 1.00 0.00 H new ATOM 0 HA ALA A 89 13.838 14.434 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.177 11.975 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.912 12.668 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.363 11.799 4.467 1.00 0.00 H new ATOM 1395 N SER A 90 11.665 14.264 1.811 1.00 0.00 N ATOM 1396 CA SER A 90 10.444 14.098 1.030 1.00 0.00 C ATOM 1397 C SER A 90 10.774 13.726 -0.412 1.00 0.00 C ATOM 1398 O SER A 90 11.761 14.199 -0.974 1.00 0.00 O ATOM 1399 CB SER A 90 9.631 15.393 1.051 1.00 0.00 C ATOM 1400 OG SER A 90 10.302 16.379 0.279 1.00 0.00 O ATOM 0 H SER A 90 12.278 15.012 1.488 1.00 0.00 H new ATOM 0 HA SER A 90 9.858 13.293 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.633 15.216 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.505 15.741 2.076 1.00 0.00 H new ATOM 0 HG SER A 90 9.783 17.210 0.288 1.00 0.00 H new ATOM 1406 N VAL A 91 9.941 12.877 -1.002 1.00 0.00 N ATOM 1407 CA VAL A 91 10.143 12.459 -2.385 1.00 0.00 C ATOM 1408 C VAL A 91 8.862 11.857 -2.953 1.00 0.00 C ATOM 1409 O VAL A 91 8.123 11.169 -2.249 1.00 0.00 O ATOM 1410 CB VAL A 91 11.271 11.429 -2.459 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.782 10.094 -1.897 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.695 11.244 -3.918 1.00 0.00 C ATOM 0 H VAL A 91 9.125 12.467 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 91 10.413 13.335 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 91 12.121 11.778 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.586 9.360 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.479 10.226 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.932 9.743 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.499 10.510 -3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.844 10.894 -4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.044 12.196 -4.319 1.00 0.00 H new ATOM 1422 N VAL A 92 8.607 12.119 -4.230 1.00 0.00 N ATOM 1423 CA VAL A 92 7.410 11.598 -4.882 1.00 0.00 C ATOM 1424 C VAL A 92 7.743 10.355 -5.703 1.00 0.00 C ATOM 1425 O VAL A 92 8.756 10.311 -6.399 1.00 0.00 O ATOM 1426 CB VAL A 92 6.806 12.665 -5.795 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.513 12.136 -6.416 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.501 13.921 -4.975 1.00 0.00 C ATOM 0 H VAL A 92 9.207 12.684 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 92 6.689 11.328 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 92 7.514 12.909 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.084 12.898 -7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.729 11.241 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.803 11.892 -5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.070 14.683 -5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.793 13.676 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.423 14.299 -4.533 1.00 0.00 H new ATOM 1438 N VAL A 93 6.882 9.347 -5.613 1.00 0.00 N ATOM 1439 CA VAL A 93 7.095 8.104 -6.347 1.00 0.00 C ATOM 1440 C VAL A 93 5.969 7.875 -7.349 1.00 0.00 C ATOM 1441 O VAL A 93 4.791 7.971 -7.005 1.00 0.00 O ATOM 1442 CB VAL A 93 7.161 6.927 -5.373 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.512 5.649 -6.137 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.235 7.199 -4.316 1.00 0.00 C ATOM 0 H VAL A 93 6.036 9.365 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 93 8.038 8.180 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 93 6.193 6.805 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.559 4.811 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.748 5.454 -6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.479 5.771 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.283 6.360 -3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.202 7.322 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.986 8.109 -3.770 1.00 0.00 H new ATOM 1454 N TYR A 94 6.337 7.570 -8.588 1.00 0.00 N ATOM 1455 CA TYR A 94 5.347 7.327 -9.630 1.00 0.00 C ATOM 1456 C TYR A 94 4.981 5.847 -9.685 1.00 0.00 C ATOM 1457 O TYR A 94 5.722 4.994 -9.194 1.00 0.00 O ATOM 1458 CB TYR A 94 5.896 7.772 -10.986 1.00 0.00 C ATOM 1459 CG TYR A 94 6.091 9.269 -10.983 1.00 0.00 C ATOM 1460 CD1 TYR A 94 4.985 10.119 -10.860 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.379 9.807 -11.090 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.167 11.507 -10.845 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.560 11.195 -11.078 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.455 12.045 -10.954 1.00 0.00 C ATOM 1465 OH TYR A 94 6.634 13.414 -10.942 1.00 0.00 O ATOM 0 H TYR A 94 7.306 7.486 -8.894 1.00 0.00 H new ATOM 0 HA TYR A 94 4.451 7.902 -9.397 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.843 7.272 -11.189 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.207 7.486 -11.781 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.992 9.704 -10.777 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.232 9.152 -11.182 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.314 12.163 -10.749 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.553 11.610 -11.165 1.00 0.00 H new ATOM 0 HH TYR A 94 7.588 13.620 -11.026 1.00 0.00 H new ATOM 1475 N PRO A 95 3.856 5.534 -10.269 1.00 0.00 N ATOM 1476 CA PRO A 95 3.370 4.130 -10.384 1.00 0.00 C ATOM 1477 C PRO A 95 4.221 3.304 -11.346 1.00 0.00 C ATOM 1478 O PRO A 95 4.909 3.853 -12.208 1.00 0.00 O ATOM 1479 CB PRO A 95 1.937 4.272 -10.908 1.00 0.00 C ATOM 1480 CG PRO A 95 1.598 5.720 -10.772 1.00 0.00 C ATOM 1481 CD PRO A 95 2.909 6.491 -10.904 1.00 0.00 C ATOM 0 HA PRO A 95 3.425 3.604 -9.431 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.866 3.949 -11.947 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.247 3.653 -10.334 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.890 6.026 -11.542 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.127 5.919 -9.809 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.165 6.698 -11.943 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.879 7.450 -10.386 1.00 0.00 H new ATOM 1489 N CYS A 96 4.170 1.986 -11.191 1.00 0.00 N ATOM 1490 CA CYS A 96 4.943 1.095 -12.047 1.00 0.00 C ATOM 1491 C CYS A 96 6.424 1.456 -11.995 1.00 0.00 C ATOM 1492 O CYS A 96 7.217 0.993 -12.816 1.00 0.00 O ATOM 1493 CB CYS A 96 4.443 1.191 -13.489 1.00 0.00 C ATOM 1494 SG CYS A 96 5.095 -0.199 -14.449 1.00 0.00 S ATOM 0 H CYS A 96 3.605 1.513 -10.485 1.00 0.00 H new ATOM 0 HA CYS A 96 4.816 0.074 -11.687 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.353 1.181 -13.509 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.761 2.134 -13.933 1.00 0.00 H new ATOM 0 HG CYS A 96 6.356 -0.361 -14.177 1.00 0.00 H new ATOM 1500 N GLU A 97 6.790 2.287 -11.024 1.00 0.00 N ATOM 1501 CA GLU A 97 8.179 2.706 -10.873 1.00 0.00 C ATOM 1502 C GLU A 97 8.597 2.658 -9.407 1.00 0.00 C ATOM 1503 O GLU A 97 7.771 2.826 -8.510 1.00 0.00 O ATOM 1504 CB GLU A 97 8.355 4.129 -11.409 1.00 0.00 C ATOM 1505 CG GLU A 97 8.263 4.115 -12.936 1.00 0.00 C ATOM 1506 CD GLU A 97 9.492 3.430 -13.525 1.00 0.00 C ATOM 1507 OE1 GLU A 97 10.462 3.275 -12.803 1.00 0.00 O ATOM 1508 OE2 GLU A 97 9.444 3.072 -14.690 1.00 0.00 O ATOM 0 H GLU A 97 6.150 2.681 -10.335 1.00 0.00 H new ATOM 0 HA GLU A 97 8.810 2.022 -11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.588 4.783 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.319 4.530 -11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.359 3.592 -13.250 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.189 5.135 -13.314 1.00 0.00 H new ATOM 1515 N THR A 98 9.885 2.427 -9.171 1.00 0.00 N ATOM 1516 CA THR A 98 10.403 2.360 -7.809 1.00 0.00 C ATOM 1517 C THR A 98 11.621 3.265 -7.655 1.00 0.00 C ATOM 1518 O THR A 98 12.510 3.273 -8.507 1.00 0.00 O ATOM 1519 CB THR A 98 10.786 0.919 -7.466 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.803 0.033 -7.981 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.875 0.760 -5.948 1.00 0.00 C ATOM 0 H THR A 98 10.585 2.284 -9.899 1.00 0.00 H new ATOM 0 HA THR A 98 9.624 2.700 -7.126 1.00 0.00 H new ATOM 0 HB THR A 98 11.753 0.685 -7.910 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.239 -0.669 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.148 -0.267 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.631 1.439 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.909 0.994 -5.500 1.00 0.00 H new ATOM 1529 N GLU A 99 11.655 4.023 -6.564 1.00 0.00 N ATOM 1530 CA GLU A 99 12.765 4.937 -6.317 1.00 0.00 C ATOM 1531 C GLU A 99 13.328 4.729 -4.914 1.00 0.00 C ATOM 1532 O GLU A 99 12.683 4.121 -4.060 1.00 0.00 O ATOM 1533 CB GLU A 99 12.294 6.384 -6.471 1.00 0.00 C ATOM 1534 CG GLU A 99 11.714 6.586 -7.872 1.00 0.00 C ATOM 1535 CD GLU A 99 12.806 6.401 -8.920 1.00 0.00 C ATOM 1536 OE1 GLU A 99 13.968 6.478 -8.556 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.464 6.186 -10.071 1.00 0.00 O ATOM 0 H GLU A 99 10.934 4.024 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 99 13.550 4.732 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.541 6.615 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.127 7.068 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.907 5.875 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.283 7.584 -7.956 1.00 0.00 H new ATOM 1544 N MET A 100 14.534 5.239 -4.686 1.00 0.00 N ATOM 1545 CA MET A 100 15.175 5.105 -3.382 1.00 0.00 C ATOM 1546 C MET A 100 14.745 6.236 -2.454 1.00 0.00 C ATOM 1547 O MET A 100 14.355 7.311 -2.909 1.00 0.00 O ATOM 1548 CB MET A 100 16.696 5.128 -3.543 1.00 0.00 C ATOM 1549 CG MET A 100 17.311 3.968 -2.759 1.00 0.00 C ATOM 1550 SD MET A 100 16.896 2.403 -3.570 1.00 0.00 S ATOM 1551 CE MET A 100 16.327 1.527 -2.094 1.00 0.00 C ATOM 0 H MET A 100 15.084 5.745 -5.381 1.00 0.00 H new ATOM 0 HA MET A 100 14.869 4.155 -2.945 1.00 0.00 H new ATOM 0 HB2 MET A 100 16.962 5.049 -4.597 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.096 6.076 -3.183 1.00 0.00 H new ATOM 0 HG2 MET A 100 18.393 4.086 -2.704 1.00 0.00 H new ATOM 0 HG3 MET A 100 16.938 3.969 -1.735 1.00 0.00 H new ATOM 0 HE1 MET A 100 15.869 0.582 -2.386 1.00 0.00 H new ATOM 0 HE2 MET A 100 17.175 1.332 -1.437 1.00 0.00 H new ATOM 0 HE3 MET A 100 15.594 2.138 -1.568 1.00 0.00 H new ATOM 1561 N PHE A 101 14.819 5.986 -1.151 1.00 0.00 N ATOM 1562 CA PHE A 101 14.415 6.985 -0.168 1.00 0.00 C ATOM 1563 C PHE A 101 15.617 7.446 0.651 1.00 0.00 C ATOM 1564 O PHE A 101 16.369 8.324 0.227 1.00 0.00 O ATOM 1565 CB PHE A 101 13.353 6.402 0.766 1.00 0.00 C ATOM 1566 CG PHE A 101 12.888 7.469 1.727 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.640 8.766 1.263 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.662 7.152 3.072 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.177 9.749 2.146 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.200 8.135 3.955 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.957 9.434 3.492 1.00 0.00 C ATOM 0 H PHE A 101 15.152 5.108 -0.753 1.00 0.00 H new ATOM 0 HA PHE A 101 14.000 7.842 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.510 6.027 0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.763 5.555 1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.806 9.009 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.844 6.149 3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.990 10.751 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.031 7.892 4.994 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.600 10.192 4.173 1.00 0.00 H new ATOM 1581 N ILE A 102 15.791 6.848 1.825 1.00 0.00 N ATOM 1582 CA ILE A 102 16.904 7.208 2.697 1.00 0.00 C ATOM 1583 C ILE A 102 17.565 5.958 3.268 1.00 0.00 C ATOM 1584 O ILE A 102 16.960 4.885 3.303 1.00 0.00 O ATOM 1585 CB ILE A 102 16.404 8.092 3.841 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.485 7.273 4.751 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.627 9.279 3.268 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.329 6.493 5.760 1.00 0.00 C ATOM 0 H ILE A 102 15.181 6.118 2.193 1.00 0.00 H new ATOM 0 HA ILE A 102 17.640 7.756 2.109 1.00 0.00 H new ATOM 0 HB ILE A 102 17.254 8.459 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.792 7.932 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.884 6.586 4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.271 9.909 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.280 9.862 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.776 8.914 2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.675 5.910 6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 102 17.004 5.823 5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.910 7.190 6.364 1.00 0.00 H new ATOM 1600 N GLU A 103 18.808 6.103 3.714 1.00 0.00 N ATOM 1601 CA GLU A 103 19.541 4.979 4.284 1.00 0.00 C ATOM 1602 C GLU A 103 20.228 5.389 5.584 1.00 0.00 C ATOM 1603 O GLU A 103 20.472 6.571 5.820 1.00 0.00 O ATOM 1604 CB GLU A 103 20.587 4.477 3.288 1.00 0.00 C ATOM 1605 CG GLU A 103 21.461 3.413 3.955 1.00 0.00 C ATOM 1606 CD GLU A 103 22.581 4.079 4.745 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.685 5.293 4.681 1.00 0.00 O ATOM 1608 OE2 GLU A 103 23.322 3.366 5.403 1.00 0.00 O ATOM 0 H GLU A 103 19.326 6.981 3.692 1.00 0.00 H new ATOM 0 HA GLU A 103 18.832 4.180 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.096 4.060 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.205 5.307 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 103 20.855 2.796 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.882 2.750 3.199 1.00 0.00 H new ATOM 1615 N GLY A 104 20.534 4.404 6.421 1.00 0.00 N ATOM 1616 CA GLY A 104 21.200 4.673 7.691 1.00 0.00 C ATOM 1617 C GLY A 104 20.376 4.143 8.861 1.00 0.00 C ATOM 1618 O GLY A 104 19.498 3.299 8.682 1.00 0.00 O ATOM 0 H GLY A 104 20.334 3.419 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.186 4.208 7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.353 5.746 7.806 1.00 0.00 H new ATOM 1622 N ARG A 105 20.665 4.646 10.057 1.00 0.00 N ATOM 1623 CA ARG A 105 19.946 4.213 11.250 1.00 0.00 C ATOM 1624 C ARG A 105 18.790 5.162 11.549 1.00 0.00 C ATOM 1625 O ARG A 105 18.923 6.378 11.418 1.00 0.00 O ATOM 1626 CB ARG A 105 20.898 4.171 12.448 1.00 0.00 C ATOM 1627 CG ARG A 105 20.203 3.493 13.630 1.00 0.00 C ATOM 1628 CD ARG A 105 21.112 3.550 14.858 1.00 0.00 C ATOM 1629 NE ARG A 105 22.385 2.896 14.574 1.00 0.00 N ATOM 1630 CZ ARG A 105 23.346 2.837 15.490 1.00 0.00 C ATOM 1631 NH1 ARG A 105 23.157 3.361 16.670 1.00 0.00 N ATOM 1632 NH2 ARG A 105 24.480 2.253 15.210 1.00 0.00 N ATOM 0 H ARG A 105 21.386 5.348 10.225 1.00 0.00 H new ATOM 0 HA ARG A 105 19.546 3.215 11.070 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.806 3.627 12.186 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.200 5.182 12.721 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.256 3.989 13.842 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.971 2.457 13.384 1.00 0.00 H new ATOM 0 HD2 ARG A 105 21.284 4.588 15.144 1.00 0.00 H new ATOM 0 HD3 ARG A 105 20.625 3.063 15.703 1.00 0.00 H new ATOM 0 HE ARG A 105 22.540 2.477 13.657 1.00 0.00 H new ATOM 0 HH11 ARG A 105 22.271 3.816 16.890 1.00 0.00 H new ATOM 0 HH12 ARG A 105 23.895 3.315 17.372 1.00 0.00 H new ATOM 0 HH21 ARG A 105 24.628 1.842 14.288 1.00 0.00 H new ATOM 0 HH22 ARG A 105 25.218 2.208 15.913 1.00 0.00 H new ATOM 1646 N VAL A 106 17.653 4.598 11.947 1.00 0.00 N ATOM 1647 CA VAL A 106 16.480 5.406 12.258 1.00 0.00 C ATOM 1648 C VAL A 106 16.009 5.151 13.686 1.00 0.00 C ATOM 1649 O VAL A 106 15.928 4.005 14.129 1.00 0.00 O ATOM 1650 CB VAL A 106 15.349 5.082 11.281 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.340 6.231 11.267 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.928 4.896 9.877 1.00 0.00 C ATOM 0 H VAL A 106 17.520 3.593 12.061 1.00 0.00 H new ATOM 0 HA VAL A 106 16.754 6.457 12.163 1.00 0.00 H new ATOM 0 HB VAL A 106 14.850 4.165 11.595 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.534 5.999 10.570 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.928 6.365 12.267 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.838 7.149 10.954 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.123 4.665 9.179 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.427 5.813 9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.647 4.077 9.886 1.00 0.00 H new ATOM 1662 N ASN A 107 15.696 6.228 14.399 1.00 0.00 N ATOM 1663 CA ASN A 107 15.235 6.115 15.779 1.00 0.00 C ATOM 1664 C ASN A 107 14.190 7.184 16.078 1.00 0.00 C ATOM 1665 O ASN A 107 14.469 8.380 15.988 1.00 0.00 O ATOM 1666 CB ASN A 107 16.417 6.268 16.740 1.00 0.00 C ATOM 1667 CG ASN A 107 17.323 7.403 16.275 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.108 7.971 15.205 1.00 0.00 O ATOM 1669 ND2 ASN A 107 18.328 7.769 17.022 1.00 0.00 N ATOM 0 H ASN A 107 15.752 7.184 14.047 1.00 0.00 H new ATOM 0 HA ASN A 107 14.785 5.132 15.915 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.054 6.471 17.747 1.00 0.00 H new ATOM 0 HB3 ASN A 107 16.981 5.337 16.787 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.938 8.528 16.720 1.00 0.00 H new ATOM 0 HD22 ASN A 107 18.503 7.296 17.909 1.00 0.00 H new ATOM 1676 N GLY A 108 12.985 6.748 16.428 1.00 0.00 N ATOM 1677 CA GLY A 108 11.907 7.682 16.730 1.00 0.00 C ATOM 1678 C GLY A 108 11.760 8.713 15.617 1.00 0.00 C ATOM 1679 O GLY A 108 12.526 9.674 15.546 1.00 0.00 O ATOM 0 H GLY A 108 12.731 5.763 16.509 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.971 7.137 16.854 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.110 8.186 17.675 1.00 0.00 H new ATOM 1683 N PHE A 109 10.775 8.508 14.749 1.00 0.00 N ATOM 1684 CA PHE A 109 10.556 9.423 13.635 1.00 0.00 C ATOM 1685 C PHE A 109 9.069 9.538 13.314 1.00 0.00 C ATOM 1686 O PHE A 109 8.277 8.665 13.671 1.00 0.00 O ATOM 1687 CB PHE A 109 11.307 8.922 12.399 1.00 0.00 C ATOM 1688 CG PHE A 109 10.897 7.499 12.107 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.484 6.442 12.813 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.922 7.237 11.137 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.099 5.122 12.546 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.536 5.917 10.871 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.124 4.860 11.576 1.00 0.00 C ATOM 0 H PHE A 109 10.122 7.725 14.794 1.00 0.00 H new ATOM 0 HA PHE A 109 10.929 10.407 13.919 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.086 9.559 11.542 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.383 8.975 12.567 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.234 6.644 13.564 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.468 8.052 10.594 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.554 4.306 13.088 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.785 5.715 10.122 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.825 3.842 11.372 1.00 0.00 H new ATOM 1703 N LYS A 110 8.700 10.618 12.634 1.00 0.00 N ATOM 1704 CA LYS A 110 7.311 10.831 12.247 1.00 0.00 C ATOM 1705 C LYS A 110 7.133 10.583 10.752 1.00 0.00 C ATOM 1706 O LYS A 110 7.861 11.138 9.930 1.00 0.00 O ATOM 1707 CB LYS A 110 6.885 12.261 12.586 1.00 0.00 C ATOM 1708 CG LYS A 110 5.410 12.454 12.228 1.00 0.00 C ATOM 1709 CD LYS A 110 4.947 13.835 12.696 1.00 0.00 C ATOM 1710 CE LYS A 110 5.776 14.915 11.999 1.00 0.00 C ATOM 1711 NZ LYS A 110 7.015 15.175 12.785 1.00 0.00 N ATOM 0 H LYS A 110 9.340 11.356 12.341 1.00 0.00 H new ATOM 0 HA LYS A 110 6.686 10.129 12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.041 12.456 13.647 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.500 12.974 12.037 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.271 12.358 11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.806 11.678 12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.889 13.971 12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.056 13.920 13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.034 14.596 10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.193 15.831 11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.002 16.152 13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.062 14.515 13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.847 15.039 12.176 1.00 0.00 H new ATOM 1725 N SER A 111 6.163 9.742 10.409 1.00 0.00 N ATOM 1726 CA SER A 111 5.916 9.407 9.011 1.00 0.00 C ATOM 1727 C SER A 111 4.574 9.963 8.545 1.00 0.00 C ATOM 1728 O SER A 111 3.565 9.848 9.242 1.00 0.00 O ATOM 1729 CB SER A 111 5.929 7.889 8.831 1.00 0.00 C ATOM 1730 OG SER A 111 7.117 7.359 9.405 1.00 0.00 O ATOM 0 H SER A 111 5.540 9.283 11.073 1.00 0.00 H new ATOM 0 HA SER A 111 6.706 9.856 8.409 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.053 7.447 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.879 7.636 7.772 1.00 0.00 H new ATOM 0 HG SER A 111 6.890 6.610 9.994 1.00 0.00 H new ATOM 1736 N LYS A 112 4.571 10.564 7.359 1.00 0.00 N ATOM 1737 CA LYS A 112 3.346 11.115 6.790 1.00 0.00 C ATOM 1738 C LYS A 112 3.308 10.869 5.285 1.00 0.00 C ATOM 1739 O LYS A 112 4.233 11.240 4.563 1.00 0.00 O ATOM 1740 CB LYS A 112 3.269 12.618 7.067 1.00 0.00 C ATOM 1741 CG LYS A 112 1.862 13.124 6.741 1.00 0.00 C ATOM 1742 CD LYS A 112 0.960 12.953 7.965 1.00 0.00 C ATOM 1743 CE LYS A 112 1.054 14.199 8.847 1.00 0.00 C ATOM 1744 NZ LYS A 112 0.319 15.323 8.200 1.00 0.00 N ATOM 0 H LYS A 112 5.399 10.682 6.776 1.00 0.00 H new ATOM 0 HA LYS A 112 2.493 10.620 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.507 12.819 8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.007 13.148 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.900 14.173 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.453 12.572 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.071 12.794 7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.260 12.071 8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.633 13.994 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.098 14.473 8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.029 16.011 8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.939 15.790 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.524 14.954 7.716 1.00 0.00 H new ATOM 1758 N MET A 113 2.236 10.237 4.818 1.00 0.00 N ATOM 1759 CA MET A 113 2.103 9.932 3.397 1.00 0.00 C ATOM 1760 C MET A 113 0.707 10.286 2.891 1.00 0.00 C ATOM 1761 O MET A 113 -0.197 10.573 3.675 1.00 0.00 O ATOM 1762 CB MET A 113 2.370 8.446 3.157 1.00 0.00 C ATOM 1763 CG MET A 113 3.771 8.092 3.655 1.00 0.00 C ATOM 1764 SD MET A 113 3.697 7.663 5.411 1.00 0.00 S ATOM 1765 CE MET A 113 3.206 5.934 5.202 1.00 0.00 C ATOM 0 H MET A 113 1.454 9.929 5.396 1.00 0.00 H new ATOM 0 HA MET A 113 2.833 10.530 2.851 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.625 7.843 3.676 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.281 8.217 2.095 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.172 7.256 3.082 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.446 8.934 3.504 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.520 5.651 6.001 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.712 5.810 4.238 1.00 0.00 H new ATOM 0 HE3 MET A 113 4.090 5.297 5.241 1.00 0.00 H new ATOM 1775 N ASP A 114 0.543 10.259 1.572 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.742 10.571 0.959 1.00 0.00 C ATOM 1777 C ASP A 114 -0.757 10.122 -0.500 1.00 0.00 C ATOM 1778 O ASP A 114 0.265 9.697 -1.037 1.00 0.00 O ATOM 1779 CB ASP A 114 -1.008 12.076 1.037 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.477 12.362 0.748 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.223 11.412 0.580 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.835 13.527 0.699 1.00 0.00 O ATOM 0 H ASP A 114 1.282 10.025 0.909 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.524 10.039 1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.744 12.449 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.379 12.602 0.320 1.00 0.00 H new ATOM 1787 N ALA A 115 -1.921 10.216 -1.135 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.050 9.814 -2.530 1.00 0.00 C ATOM 1789 C ALA A 115 -2.689 10.924 -3.356 1.00 0.00 C ATOM 1790 O ALA A 115 -3.910 10.978 -3.505 1.00 0.00 O ATOM 1791 CB ALA A 115 -2.901 8.547 -2.633 1.00 0.00 C ATOM 0 H ALA A 115 -2.781 10.564 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.052 9.616 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.992 8.254 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.426 7.743 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.892 8.740 -2.223 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.855 11.808 -3.895 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.349 12.920 -4.699 1.00 0.00 C ATOM 1799 C LEU A 116 -2.408 12.529 -6.172 1.00 0.00 C ATOM 1800 O LEU A 116 -1.638 11.688 -6.634 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.435 14.135 -4.525 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.855 14.137 -3.109 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.025 15.373 -2.916 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.999 14.162 -2.091 1.00 0.00 C ATOM 0 H LEU A 116 -0.841 11.777 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.354 13.172 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.630 14.106 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.995 15.053 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.254 13.239 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.437 15.372 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.839 15.357 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.573 16.272 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.588 14.163 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.599 15.060 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.626 13.280 -2.226 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.309 13.122 -6.907 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.453 12.870 -8.370 1.00 0.00 C ATOM 1818 C PRO A 117 -2.122 12.987 -9.108 1.00 0.00 C ATOM 1819 O PRO A 117 -1.168 13.574 -8.597 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.432 13.951 -8.838 1.00 0.00 C ATOM 1821 CG PRO A 117 -5.235 14.312 -7.633 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.327 14.103 -6.423 1.00 0.00 C ATOM 0 HA PRO A 117 -3.803 11.858 -8.574 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -3.901 14.818 -9.230 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.072 13.581 -9.639 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.573 15.347 -7.689 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.126 13.689 -7.561 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.863 15.037 -6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.882 13.715 -5.569 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.066 12.426 -10.312 1.00 0.00 N ATOM 1831 CA LEU A 118 -0.849 12.486 -11.114 1.00 0.00 C ATOM 1832 C LEU A 118 -0.782 13.799 -11.885 1.00 0.00 C ATOM 1833 O LEU A 118 -1.531 14.010 -12.839 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.810 11.314 -12.097 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.731 9.998 -11.323 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.243 8.858 -12.204 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.723 9.721 -10.932 1.00 0.00 C ATOM 0 H LEU A 118 -2.841 11.929 -10.751 1.00 0.00 H new ATOM 0 HA LEU A 118 0.008 12.425 -10.443 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.700 11.324 -12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.050 11.410 -12.759 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.343 10.069 -10.424 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.187 7.919 -11.653 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.278 9.052 -12.486 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.629 8.789 -13.102 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.779 8.783 -10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.334 9.650 -11.832 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.092 10.533 -10.305 1.00 0.00 H new ATOM 1849 N SER A 119 0.119 14.680 -11.464 1.00 0.00 N ATOM 1850 CA SER A 119 0.272 15.973 -12.120 1.00 0.00 C ATOM 1851 C SER A 119 0.815 15.796 -13.534 1.00 0.00 C ATOM 1852 O SER A 119 1.235 14.704 -13.916 1.00 0.00 O ATOM 1853 CB SER A 119 1.223 16.858 -11.314 1.00 0.00 C ATOM 1854 OG SER A 119 0.685 17.062 -10.014 1.00 0.00 O ATOM 0 H SER A 119 0.750 14.524 -10.678 1.00 0.00 H new ATOM 0 HA SER A 119 -0.707 16.449 -12.176 1.00 0.00 H new ATOM 0 HB2 SER A 119 2.204 16.389 -11.245 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.362 17.815 -11.817 1.00 0.00 H new ATOM 0 HG SER A 119 1.293 17.628 -9.493 1.00 0.00 H new ATOM 1860 N GLU A 120 0.805 16.878 -14.306 1.00 0.00 N ATOM 1861 CA GLU A 120 1.300 16.829 -15.677 1.00 0.00 C ATOM 1862 C GLU A 120 2.723 16.282 -15.710 1.00 0.00 C ATOM 1863 O GLU A 120 3.142 15.668 -16.692 1.00 0.00 O ATOM 1864 CB GLU A 120 1.274 18.229 -16.293 1.00 0.00 C ATOM 1865 CG GLU A 120 2.242 19.140 -15.535 1.00 0.00 C ATOM 1866 CD GLU A 120 2.087 20.578 -16.017 1.00 0.00 C ATOM 1867 OE1 GLU A 120 1.312 20.795 -16.934 1.00 0.00 O ATOM 1868 OE2 GLU A 120 2.747 21.442 -15.463 1.00 0.00 O ATOM 0 H GLU A 120 0.463 17.792 -14.009 1.00 0.00 H new ATOM 0 HA GLU A 120 0.654 16.168 -16.255 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.553 18.180 -17.345 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.264 18.638 -16.250 1.00 0.00 H new ATOM 0 HG2 GLU A 120 2.046 19.083 -14.464 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.267 18.804 -15.689 1.00 0.00 H new ATOM 1875 N GLU A 121 3.464 16.509 -14.628 1.00 0.00 N ATOM 1876 CA GLU A 121 4.837 16.029 -14.541 1.00 0.00 C ATOM 1877 C GLU A 121 4.894 14.525 -14.791 1.00 0.00 C ATOM 1878 O GLU A 121 5.816 14.029 -15.439 1.00 0.00 O ATOM 1879 CB GLU A 121 5.414 16.342 -13.159 1.00 0.00 C ATOM 1880 CG GLU A 121 6.920 16.076 -13.161 1.00 0.00 C ATOM 1881 CD GLU A 121 7.632 17.123 -14.010 1.00 0.00 C ATOM 1882 OE1 GLU A 121 7.078 18.196 -14.181 1.00 0.00 O ATOM 1883 OE2 GLU A 121 8.723 16.835 -14.478 1.00 0.00 O ATOM 0 H GLU A 121 3.138 17.018 -13.806 1.00 0.00 H new ATOM 0 HA GLU A 121 5.429 16.536 -15.303 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.218 17.382 -12.899 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.927 15.727 -12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.304 16.101 -12.141 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.121 15.079 -13.553 1.00 0.00 H new ATOM 1890 N TYR A 122 3.903 13.807 -14.274 1.00 0.00 N ATOM 1891 CA TYR A 122 3.849 12.361 -14.454 1.00 0.00 C ATOM 1892 C TYR A 122 3.706 12.014 -15.932 1.00 0.00 C ATOM 1893 O TYR A 122 4.345 11.084 -16.427 1.00 0.00 O ATOM 1894 CB TYR A 122 2.669 11.779 -13.675 1.00 0.00 C ATOM 1895 CG TYR A 122 2.399 10.370 -14.148 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.301 9.345 -13.842 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.257 10.094 -14.909 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.064 8.044 -14.300 1.00 0.00 C ATOM 1899 CE2 TYR A 122 1.016 8.791 -15.362 1.00 0.00 C ATOM 1900 CZ TYR A 122 1.919 7.766 -15.058 1.00 0.00 C ATOM 1901 OH TYR A 122 1.684 6.482 -15.506 1.00 0.00 O ATOM 0 H TYR A 122 3.133 14.198 -13.732 1.00 0.00 H new ATOM 0 HA TYR A 122 4.777 11.931 -14.077 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.888 11.780 -12.607 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.784 12.398 -13.819 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.180 9.558 -13.252 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.562 10.886 -15.147 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.764 7.254 -14.069 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.133 8.577 -15.946 1.00 0.00 H new ATOM 0 HH TYR A 122 0.847 6.461 -16.015 1.00 0.00 H new