USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 655 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: B 111 GLN : amide:sc= 0.167 K(o=2.7,f=-5.9!) USER MOD Set 1.2: B 114 LYS NZ :NH3+ 160:sc= 2.53 (180deg=1.78) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= -0.0137 USER MOD Set 3.1: A 34 SER OG : rot -108:sc= 0.65 USER MOD Set 3.2: A 36 SER OG : rot 27:sc= 0.078 USER MOD Set 4.1: A 30 GLN : amide:sc= 1.37 K(o=-0.48,f=-10!) USER MOD Set 4.2: A 38 HIS : +bothHN:sc= -1.85! X(o=-0.48!,f=-0.76) USER MOD Single : A 15 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.038) USER MOD Single : A 16 TYR OH : rot 60:sc= -0.602 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 110:sc= 0.585 USER MOD Single : A 24 MET CE :methyl -162:sc= -0.0746 (180deg=-0.471) USER MOD Single : A 25 SER OG : rot 60:sc= 0.851 USER MOD Single : A 35 GLN : amide:sc= 0.729 K(o=0.73,f=-8.4!) USER MOD Single : A 40 HIS : +bothHN:sc= -2.6! C(o=-2.6!,f=-4.2!) USER MOD Single : A 42 TYR OH : rot 163:sc= 1.6 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0.0408 (180deg=0.0408) USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.11) USER MOD Single : A 51 ASN :FLIP amide:sc= -2.01 F(o=-2.9!,f=-2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.12! C(o=-1.1!,f=-4.3!) USER MOD Single : A 59 ASN : amide:sc= -0.536 K(o=-0.54,f=-12!) USER MOD Single : A 70 THR OG1 : rot 102:sc= 0.165 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.03) USER MOD Single : A 79 TYR OH : rot 54:sc= 0.976 USER MOD Single : B 115 ASN : amide:sc= -2.99! C(o=-3!,f=-5.1!) USER MOD Single : B 118 HIS : no HE2:sc= -3.66! C(o=-3.7!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -3.543 9.892 3.796 1.00 0.00 N ATOM 180 CA GLY A 13 -3.942 9.431 2.483 1.00 0.00 C ATOM 181 C GLY A 13 -4.741 8.136 2.525 1.00 0.00 C ATOM 182 O GLY A 13 -4.905 7.467 1.506 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.538 10.204 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.053 9.283 1.870 1.00 0.00 H new ATOM 186 N GLU A 14 -5.240 7.794 3.694 1.00 0.00 N ATOM 187 CA GLU A 14 -6.078 6.603 3.875 1.00 0.00 C ATOM 188 C GLU A 14 -7.424 6.834 3.183 1.00 0.00 C ATOM 189 O GLU A 14 -8.099 5.901 2.729 1.00 0.00 O ATOM 190 CB GLU A 14 -6.302 6.350 5.372 1.00 0.00 C ATOM 191 CG GLU A 14 -7.067 5.073 5.683 1.00 0.00 C ATOM 192 CD GLU A 14 -7.452 4.973 7.131 1.00 0.00 C ATOM 193 OE1 GLU A 14 -8.399 5.668 7.558 1.00 0.00 O ATOM 194 OE2 GLU A 14 -6.792 4.246 7.887 1.00 0.00 O ATOM 0 H GLU A 14 -5.083 8.325 4.551 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.584 5.735 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.334 6.310 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.844 7.196 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.966 5.032 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.456 4.212 5.412 1.00 0.00 H new ATOM 201 N ASN A 15 -7.785 8.100 3.086 1.00 0.00 N ATOM 202 CA ASN A 15 -9.023 8.524 2.472 1.00 0.00 C ATOM 203 C ASN A 15 -8.872 8.587 0.926 1.00 0.00 C ATOM 204 O ASN A 15 -9.826 8.931 0.210 1.00 0.00 O ATOM 205 CB ASN A 15 -9.381 9.920 3.024 1.00 0.00 C ATOM 206 CG ASN A 15 -10.756 10.407 2.675 1.00 0.00 C ATOM 207 OD1 ASN A 15 -10.943 11.589 2.386 1.00 0.00 O ATOM 208 ND2 ASN A 15 -11.732 9.568 2.827 1.00 0.00 N ATOM 0 H ASN A 15 -7.217 8.871 3.437 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.813 7.810 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.284 9.901 4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.652 10.639 2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.696 9.880 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.536 8.596 3.067 1.00 0.00 H new ATOM 215 N TYR A 16 -7.678 8.228 0.409 1.00 0.00 N ATOM 216 CA TYR A 16 -7.411 8.326 -1.025 1.00 0.00 C ATOM 217 C TYR A 16 -8.230 7.320 -1.816 1.00 0.00 C ATOM 218 O TYR A 16 -7.924 6.125 -1.854 1.00 0.00 O ATOM 219 CB TYR A 16 -5.907 8.201 -1.363 1.00 0.00 C ATOM 220 CG TYR A 16 -5.595 8.361 -2.850 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.841 9.562 -3.503 1.00 0.00 C ATOM 222 CD2 TYR A 16 -5.062 7.316 -3.592 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.579 9.719 -4.838 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.788 7.465 -4.939 1.00 0.00 C ATOM 225 CZ TYR A 16 -5.054 8.676 -5.556 1.00 0.00 C ATOM 226 OH TYR A 16 -4.821 8.833 -6.898 1.00 0.00 O ATOM 0 H TYR A 16 -6.898 7.873 0.962 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.721 9.327 -1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.354 8.954 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.548 7.228 -1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.249 10.392 -2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.858 6.372 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.785 10.661 -5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.371 6.645 -5.504 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.186 9.567 -7.036 1.00 0.00 H new ATOM 236 N ASP A 17 -9.252 7.829 -2.466 1.00 0.00 N ATOM 237 CA ASP A 17 -10.177 7.018 -3.256 1.00 0.00 C ATOM 238 C ASP A 17 -9.763 7.080 -4.716 1.00 0.00 C ATOM 239 O ASP A 17 -10.394 6.494 -5.590 1.00 0.00 O ATOM 240 CB ASP A 17 -11.579 7.605 -3.127 1.00 0.00 C ATOM 241 CG ASP A 17 -12.682 6.577 -3.210 1.00 0.00 C ATOM 242 OD1 ASP A 17 -12.877 5.934 -4.262 1.00 0.00 O ATOM 243 OD2 ASP A 17 -13.367 6.383 -2.191 1.00 0.00 O ATOM 0 H ASP A 17 -9.474 8.824 -2.467 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.162 5.987 -2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.656 8.131 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.726 8.346 -3.913 1.00 0.00 H new ATOM 248 N GLY A 18 -8.669 7.759 -4.943 1.00 0.00 N ATOM 249 CA GLY A 18 -8.182 8.049 -6.267 1.00 0.00 C ATOM 250 C GLY A 18 -7.687 6.851 -7.044 1.00 0.00 C ATOM 251 O GLY A 18 -7.604 5.729 -6.530 1.00 0.00 O ATOM 0 H GLY A 18 -8.080 8.133 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.981 8.526 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.370 8.772 -6.189 1.00 0.00 H new ATOM 255 N LYS A 19 -7.318 7.117 -8.254 1.00 0.00 N ATOM 256 CA LYS A 19 -6.974 6.099 -9.219 1.00 0.00 C ATOM 257 C LYS A 19 -5.470 6.066 -9.562 1.00 0.00 C ATOM 258 O LYS A 19 -5.086 5.525 -10.603 1.00 0.00 O ATOM 259 CB LYS A 19 -7.827 6.248 -10.515 1.00 0.00 C ATOM 260 CG LYS A 19 -7.556 7.496 -11.380 1.00 0.00 C ATOM 261 CD LYS A 19 -7.953 8.812 -10.683 1.00 0.00 C ATOM 262 CE LYS A 19 -7.740 10.018 -11.570 1.00 0.00 C ATOM 263 NZ LYS A 19 -8.198 11.270 -10.917 1.00 0.00 N ATOM 0 H LYS A 19 -7.242 8.067 -8.617 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.206 5.144 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.666 5.364 -11.132 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.880 6.252 -10.232 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.497 7.532 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.106 7.408 -12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.001 8.762 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.369 8.928 -9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.682 10.104 -11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.278 9.879 -12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.035 12.074 -11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.213 11.198 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.667 11.416 -10.035 1.00 0.00 H new ATOM 277 N ILE A 20 -4.619 6.640 -8.723 1.00 0.00 N ATOM 278 CA ILE A 20 -3.194 6.489 -8.934 1.00 0.00 C ATOM 279 C ILE A 20 -2.772 5.066 -8.688 1.00 0.00 C ATOM 280 O ILE A 20 -3.078 4.481 -7.650 1.00 0.00 O ATOM 281 CB ILE A 20 -2.320 7.534 -8.170 1.00 0.00 C ATOM 282 CG1 ILE A 20 -1.997 8.677 -9.115 1.00 0.00 C ATOM 283 CG2 ILE A 20 -1.033 6.930 -7.600 1.00 0.00 C ATOM 284 CD1 ILE A 20 -1.338 9.873 -8.458 1.00 0.00 C ATOM 0 H ILE A 20 -4.884 7.199 -7.912 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.005 6.716 -9.983 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.891 7.893 -7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.342 8.305 -9.903 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.919 9.005 -9.595 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.467 7.703 -7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.284 6.132 -6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.431 6.524 -8.413 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.144 10.639 -9.208 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.998 10.276 -7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.397 9.565 -8.002 1.00 0.00 H new ATOM 296 N SER A 21 -2.143 4.521 -9.669 1.00 0.00 N ATOM 297 CA SER A 21 -1.719 3.147 -9.657 1.00 0.00 C ATOM 298 C SER A 21 -0.214 3.040 -9.795 1.00 0.00 C ATOM 299 O SER A 21 0.333 1.946 -9.990 1.00 0.00 O ATOM 300 CB SER A 21 -2.398 2.443 -10.823 1.00 0.00 C ATOM 301 OG SER A 21 -2.230 3.192 -12.033 1.00 0.00 O ATOM 0 H SER A 21 -1.899 5.020 -10.525 1.00 0.00 H new ATOM 0 HA SER A 21 -1.995 2.685 -8.709 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.978 1.445 -10.946 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.460 2.318 -10.611 1.00 0.00 H new ATOM 0 HG SER A 21 -2.671 2.723 -12.772 1.00 0.00 H new ATOM 307 N LYS A 22 0.461 4.163 -9.700 1.00 0.00 N ATOM 308 CA LYS A 22 1.882 4.180 -9.908 1.00 0.00 C ATOM 309 C LYS A 22 2.594 4.745 -8.695 1.00 0.00 C ATOM 310 O LYS A 22 2.037 5.583 -7.977 1.00 0.00 O ATOM 311 CB LYS A 22 2.226 4.896 -11.228 1.00 0.00 C ATOM 312 CG LYS A 22 1.522 4.227 -12.420 1.00 0.00 C ATOM 313 CD LYS A 22 1.837 4.842 -13.769 1.00 0.00 C ATOM 314 CE LYS A 22 3.276 4.633 -14.174 1.00 0.00 C ATOM 315 NZ LYS A 22 3.524 5.079 -15.556 1.00 0.00 N ATOM 0 H LYS A 22 0.047 5.069 -9.481 1.00 0.00 H new ATOM 0 HA LYS A 22 2.248 3.159 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.928 5.943 -11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.305 4.881 -11.383 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.799 3.173 -12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.445 4.270 -12.259 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.183 4.408 -14.525 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.623 5.910 -13.737 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.929 5.179 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.530 3.577 -14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.523 4.920 -15.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.919 4.540 -16.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.305 6.092 -15.638 1.00 0.00 H new ATOM 329 N THR A 23 3.812 4.294 -8.464 1.00 0.00 N ATOM 330 CA THR A 23 4.516 4.604 -7.249 1.00 0.00 C ATOM 331 C THR A 23 5.176 5.987 -7.344 1.00 0.00 C ATOM 332 O THR A 23 4.986 6.701 -8.338 1.00 0.00 O ATOM 333 CB THR A 23 5.568 3.506 -6.996 1.00 0.00 C ATOM 334 OG1 THR A 23 6.513 3.482 -8.087 1.00 0.00 O ATOM 335 CG2 THR A 23 4.893 2.136 -6.895 1.00 0.00 C ATOM 0 H THR A 23 4.333 3.706 -9.114 1.00 0.00 H new ATOM 0 HA THR A 23 3.816 4.634 -6.414 1.00 0.00 H new ATOM 0 HB THR A 23 6.082 3.725 -6.060 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.380 3.817 -7.776 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.648 1.371 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.180 2.142 -6.071 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.370 1.919 -7.826 1.00 0.00 H new ATOM 343 N MET A 24 5.948 6.368 -6.337 1.00 0.00 N ATOM 344 CA MET A 24 6.654 7.627 -6.347 1.00 0.00 C ATOM 345 C MET A 24 7.720 7.657 -7.439 1.00 0.00 C ATOM 346 O MET A 24 8.090 8.721 -7.917 1.00 0.00 O ATOM 347 CB MET A 24 7.237 7.974 -4.963 1.00 0.00 C ATOM 348 CG MET A 24 8.112 6.922 -4.337 1.00 0.00 C ATOM 349 SD MET A 24 8.824 7.430 -2.756 1.00 0.00 S ATOM 350 CE MET A 24 9.953 8.719 -3.289 1.00 0.00 C ATOM 0 H MET A 24 6.098 5.811 -5.496 1.00 0.00 H new ATOM 0 HA MET A 24 5.926 8.404 -6.582 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.815 8.893 -5.054 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.410 8.183 -4.284 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.527 6.014 -4.189 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.918 6.673 -5.027 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.685 8.908 -2.504 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.467 8.400 -4.196 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.393 9.632 -3.491 1.00 0.00 H new ATOM 360 N SER A 25 8.199 6.495 -7.837 1.00 0.00 N ATOM 361 CA SER A 25 9.110 6.410 -8.931 1.00 0.00 C ATOM 362 C SER A 25 8.336 6.321 -10.237 1.00 0.00 C ATOM 363 O SER A 25 8.856 6.639 -11.312 1.00 0.00 O ATOM 364 CB SER A 25 9.947 5.184 -8.780 1.00 0.00 C ATOM 365 OG SER A 25 10.535 5.127 -7.488 1.00 0.00 O ATOM 0 H SER A 25 7.963 5.600 -7.408 1.00 0.00 H new ATOM 0 HA SER A 25 9.744 7.297 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.334 4.298 -8.944 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.728 5.176 -9.540 1.00 0.00 H new ATOM 0 HG SER A 25 9.830 5.116 -6.808 1.00 0.00 H new ATOM 371 N GLY A 26 7.077 5.946 -10.130 1.00 0.00 N ATOM 372 CA GLY A 26 6.257 5.796 -11.285 1.00 0.00 C ATOM 373 C GLY A 26 6.206 4.383 -11.758 1.00 0.00 C ATOM 374 O GLY A 26 6.022 4.129 -12.947 1.00 0.00 O ATOM 0 H GLY A 26 6.611 5.742 -9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.247 6.139 -11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.638 6.432 -12.084 1.00 0.00 H new ATOM 378 N LEU A 27 6.446 3.467 -10.870 1.00 0.00 N ATOM 379 CA LEU A 27 6.335 2.081 -11.196 1.00 0.00 C ATOM 380 C LEU A 27 4.895 1.702 -11.073 1.00 0.00 C ATOM 381 O LEU A 27 4.156 2.343 -10.356 1.00 0.00 O ATOM 382 CB LEU A 27 7.156 1.235 -10.253 1.00 0.00 C ATOM 383 CG LEU A 27 8.678 1.450 -10.277 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.358 0.595 -9.227 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.241 1.120 -11.644 1.00 0.00 C ATOM 0 H LEU A 27 6.722 3.658 -9.907 1.00 0.00 H new ATOM 0 HA LEU A 27 6.705 1.912 -12.207 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.803 1.417 -9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.957 0.187 -10.476 1.00 0.00 H new ATOM 0 HG LEU A 27 8.871 2.500 -10.056 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.434 0.763 -9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.981 0.862 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.149 -0.457 -9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.319 1.278 -11.641 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.028 0.078 -11.884 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.781 1.766 -12.392 1.00 0.00 H new ATOM 397 N GLU A 28 4.500 0.696 -11.743 1.00 0.00 N ATOM 398 CA GLU A 28 3.128 0.293 -11.727 1.00 0.00 C ATOM 399 C GLU A 28 2.864 -0.655 -10.556 1.00 0.00 C ATOM 400 O GLU A 28 3.684 -1.541 -10.246 1.00 0.00 O ATOM 401 CB GLU A 28 2.745 -0.328 -13.070 1.00 0.00 C ATOM 402 CG GLU A 28 1.279 -0.676 -13.198 1.00 0.00 C ATOM 403 CD GLU A 28 0.921 -1.148 -14.575 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.058 -2.342 -14.857 1.00 0.00 O ATOM 405 OE2 GLU A 28 0.471 -0.319 -15.406 1.00 0.00 O ATOM 0 H GLU A 28 5.108 0.118 -12.324 1.00 0.00 H new ATOM 0 HA GLU A 28 2.497 1.169 -11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.013 0.365 -13.867 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.336 -1.232 -13.221 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.028 -1.452 -12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.678 0.198 -12.949 1.00 0.00 H new ATOM 412 N CYS A 29 1.772 -0.436 -9.884 1.00 0.00 N ATOM 413 CA CYS A 29 1.385 -1.257 -8.779 1.00 0.00 C ATOM 414 C CYS A 29 0.721 -2.540 -9.233 1.00 0.00 C ATOM 415 O CYS A 29 0.099 -2.614 -10.313 1.00 0.00 O ATOM 416 CB CYS A 29 0.484 -0.491 -7.803 1.00 0.00 C ATOM 417 SG CYS A 29 -0.239 -1.510 -6.464 1.00 0.00 S ATOM 0 H CYS A 29 1.122 0.323 -10.090 1.00 0.00 H new ATOM 0 HA CYS A 29 2.299 -1.531 -8.252 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.062 0.316 -7.354 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.326 -0.028 -8.366 1.00 0.00 H new ATOM 422 N GLN A 30 0.885 -3.531 -8.416 1.00 0.00 N ATOM 423 CA GLN A 30 0.317 -4.831 -8.575 1.00 0.00 C ATOM 424 C GLN A 30 -1.072 -4.824 -7.934 1.00 0.00 C ATOM 425 O GLN A 30 -1.234 -4.310 -6.839 1.00 0.00 O ATOM 426 CB GLN A 30 1.207 -5.861 -7.859 1.00 0.00 C ATOM 427 CG GLN A 30 0.585 -7.246 -7.737 1.00 0.00 C ATOM 428 CD GLN A 30 1.380 -8.181 -6.857 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.610 -8.103 -6.768 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.691 -9.058 -6.175 1.00 0.00 N ATOM 0 H GLN A 30 1.452 -3.449 -7.572 1.00 0.00 H new ATOM 0 HA GLN A 30 0.244 -5.091 -9.631 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.151 -5.945 -8.397 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.441 -5.491 -6.861 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.424 -7.150 -7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.492 -7.684 -8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.324 -9.096 -6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.168 -9.704 -5.546 1.00 0.00 H new ATOM 439 N ALA A 31 -2.041 -5.392 -8.609 1.00 0.00 N ATOM 440 CA ALA A 31 -3.400 -5.457 -8.109 1.00 0.00 C ATOM 441 C ALA A 31 -3.467 -6.152 -6.746 1.00 0.00 C ATOM 442 O ALA A 31 -2.951 -7.262 -6.576 1.00 0.00 O ATOM 443 CB ALA A 31 -4.280 -6.190 -9.110 1.00 0.00 C ATOM 0 H ALA A 31 -1.913 -5.825 -9.524 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.761 -4.437 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.301 -6.237 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.270 -5.658 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.900 -7.201 -9.256 1.00 0.00 H new ATOM 449 N TRP A 32 -4.122 -5.484 -5.792 1.00 0.00 N ATOM 450 CA TRP A 32 -4.274 -5.947 -4.413 1.00 0.00 C ATOM 451 C TRP A 32 -4.869 -7.343 -4.322 1.00 0.00 C ATOM 452 O TRP A 32 -4.563 -8.098 -3.400 1.00 0.00 O ATOM 453 CB TRP A 32 -5.178 -4.998 -3.634 1.00 0.00 C ATOM 454 CG TRP A 32 -4.654 -3.617 -3.474 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.052 -2.509 -4.152 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.635 -3.191 -2.566 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.360 -1.423 -3.710 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.470 -1.814 -2.749 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.846 -3.840 -1.620 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.549 -1.066 -2.017 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.934 -3.100 -0.897 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.793 -1.726 -1.102 1.00 0.00 C ATOM 0 H TRP A 32 -4.572 -4.585 -5.963 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.270 -5.971 -3.989 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.144 -4.947 -4.136 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.355 -5.420 -2.645 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.805 -2.492 -4.926 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.486 -0.467 -4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.946 -4.903 -1.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.441 -0.003 -2.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.318 -3.592 -0.159 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.067 -1.177 -0.521 1.00 0.00 H new ATOM 473 N ASP A 33 -5.700 -7.680 -5.265 1.00 0.00 N ATOM 474 CA ASP A 33 -6.387 -8.959 -5.245 1.00 0.00 C ATOM 475 C ASP A 33 -5.514 -10.066 -5.831 1.00 0.00 C ATOM 476 O ASP A 33 -5.751 -11.248 -5.607 1.00 0.00 O ATOM 477 CB ASP A 33 -7.709 -8.850 -6.003 1.00 0.00 C ATOM 478 CG ASP A 33 -8.545 -10.104 -5.924 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.259 -10.296 -4.909 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.520 -10.909 -6.881 1.00 0.00 O ATOM 0 H ASP A 33 -5.926 -7.090 -6.066 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.595 -9.223 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.282 -8.013 -5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.503 -8.624 -7.049 1.00 0.00 H new ATOM 485 N SER A 34 -4.481 -9.678 -6.531 1.00 0.00 N ATOM 486 CA SER A 34 -3.617 -10.614 -7.182 1.00 0.00 C ATOM 487 C SER A 34 -2.466 -10.963 -6.259 1.00 0.00 C ATOM 488 O SER A 34 -1.846 -10.076 -5.677 1.00 0.00 O ATOM 489 CB SER A 34 -3.083 -10.002 -8.481 1.00 0.00 C ATOM 490 OG SER A 34 -2.295 -10.933 -9.206 1.00 0.00 O ATOM 0 H SER A 34 -4.218 -8.701 -6.663 1.00 0.00 H new ATOM 0 HA SER A 34 -4.172 -11.521 -7.420 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.918 -9.670 -9.099 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.486 -9.119 -8.251 1.00 0.00 H new ATOM 0 HG SER A 34 -1.351 -10.674 -9.152 1.00 0.00 H new ATOM 496 N GLN A 35 -2.164 -12.238 -6.130 1.00 0.00 N ATOM 497 CA GLN A 35 -1.060 -12.663 -5.282 1.00 0.00 C ATOM 498 C GLN A 35 0.177 -12.927 -6.127 1.00 0.00 C ATOM 499 O GLN A 35 1.182 -13.448 -5.655 1.00 0.00 O ATOM 500 CB GLN A 35 -1.421 -13.911 -4.466 1.00 0.00 C ATOM 501 CG GLN A 35 -2.644 -13.758 -3.576 1.00 0.00 C ATOM 502 CD GLN A 35 -2.522 -12.593 -2.627 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.437 -12.207 -2.251 1.00 0.00 O ATOM 504 NE2 GLN A 35 -3.621 -12.049 -2.215 1.00 0.00 N ATOM 0 H GLN A 35 -2.661 -12.997 -6.596 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.851 -11.857 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.590 -14.741 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.568 -14.181 -3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.529 -13.625 -4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.791 -14.675 -3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.519 -12.397 -2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.589 -11.272 -1.555 1.00 0.00 H new ATOM 513 N SER A 36 0.103 -12.535 -7.357 1.00 0.00 N ATOM 514 CA SER A 36 1.164 -12.699 -8.279 1.00 0.00 C ATOM 515 C SER A 36 1.526 -11.338 -8.850 1.00 0.00 C ATOM 516 O SER A 36 0.635 -10.585 -9.286 1.00 0.00 O ATOM 517 CB SER A 36 0.750 -13.693 -9.366 1.00 0.00 C ATOM 518 OG SER A 36 -0.556 -13.397 -9.845 1.00 0.00 O ATOM 0 H SER A 36 -0.720 -12.081 -7.752 1.00 0.00 H new ATOM 0 HA SER A 36 2.047 -13.108 -7.788 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.462 -13.656 -10.190 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.776 -14.707 -8.968 1.00 0.00 H new ATOM 0 HG SER A 36 -0.742 -12.443 -9.721 1.00 0.00 H new ATOM 524 N PRO A 37 2.812 -10.962 -8.796 1.00 0.00 N ATOM 525 CA PRO A 37 3.904 -11.874 -8.355 1.00 0.00 C ATOM 526 C PRO A 37 4.001 -11.960 -6.826 1.00 0.00 C ATOM 527 O PRO A 37 4.359 -12.991 -6.265 1.00 0.00 O ATOM 528 CB PRO A 37 5.158 -11.165 -8.894 1.00 0.00 C ATOM 529 CG PRO A 37 4.747 -9.741 -8.917 1.00 0.00 C ATOM 530 CD PRO A 37 3.364 -9.769 -9.459 1.00 0.00 C ATOM 0 HA PRO A 37 3.758 -12.895 -8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.022 -11.326 -8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.430 -11.523 -9.887 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.775 -9.302 -7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.409 -9.146 -9.546 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.807 -8.866 -9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.351 -9.861 -10.545 1.00 0.00 H new ATOM 538 N HIS A 38 3.662 -10.872 -6.170 1.00 0.00 N ATOM 539 CA HIS A 38 3.819 -10.760 -4.737 1.00 0.00 C ATOM 540 C HIS A 38 2.633 -11.252 -3.955 1.00 0.00 C ATOM 541 O HIS A 38 1.529 -10.667 -4.024 1.00 0.00 O ATOM 542 CB HIS A 38 4.126 -9.331 -4.342 1.00 0.00 C ATOM 543 CG HIS A 38 5.416 -8.854 -4.864 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.525 -7.914 -5.858 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.672 -9.221 -4.552 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.786 -7.738 -6.134 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.499 -8.517 -5.356 1.00 0.00 N ATOM 0 H HIS A 38 3.270 -10.041 -6.614 1.00 0.00 H new ATOM 0 HA HIS A 38 4.657 -11.410 -4.484 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.330 -8.681 -4.706 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.129 -9.253 -3.255 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.746 -7.432 -6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.964 -9.941 -3.802 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.179 -7.063 -6.880 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.517 -8.581 -5.358 1.00 0.00 H new ATOM 556 N ALA A 39 2.862 -12.292 -3.194 1.00 0.00 N ATOM 557 CA ALA A 39 1.875 -12.833 -2.300 1.00 0.00 C ATOM 558 C ALA A 39 1.803 -11.910 -1.108 1.00 0.00 C ATOM 559 O ALA A 39 2.843 -11.465 -0.598 1.00 0.00 O ATOM 560 CB ALA A 39 2.265 -14.238 -1.873 1.00 0.00 C ATOM 0 H ALA A 39 3.751 -12.792 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 39 0.902 -12.902 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.509 -14.636 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.338 -14.878 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.228 -14.209 -1.364 1.00 0.00 H new ATOM 566 N HIS A 40 0.614 -11.564 -0.702 1.00 0.00 N ATOM 567 CA HIS A 40 0.447 -10.594 0.367 1.00 0.00 C ATOM 568 C HIS A 40 -0.949 -10.710 0.988 1.00 0.00 C ATOM 569 O HIS A 40 -1.904 -11.076 0.309 1.00 0.00 O ATOM 570 CB HIS A 40 0.670 -9.172 -0.199 1.00 0.00 C ATOM 571 CG HIS A 40 -0.371 -8.741 -1.190 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.439 -9.192 -2.480 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.431 -7.945 -1.028 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.502 -8.686 -3.043 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.118 -7.925 -2.185 1.00 0.00 N ATOM 0 H HIS A 40 -0.256 -11.932 -1.087 1.00 0.00 H new ATOM 0 HA HIS A 40 1.180 -10.792 1.149 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.687 -8.461 0.627 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.650 -9.131 -0.675 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.230 -9.819 -2.927 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.691 -7.411 -0.126 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.820 -8.869 -4.059 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.976 -7.402 -2.360 1.00 0.00 H new ATOM 584 N GLY A 41 -1.082 -10.306 2.223 1.00 0.00 N ATOM 585 CA GLY A 41 -2.337 -10.454 2.907 1.00 0.00 C ATOM 586 C GLY A 41 -3.250 -9.263 2.785 1.00 0.00 C ATOM 587 O GLY A 41 -4.175 -9.115 3.581 1.00 0.00 O ATOM 0 H GLY A 41 -0.340 -9.874 2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.850 -11.333 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.143 -10.642 3.963 1.00 0.00 H new ATOM 591 N TYR A 42 -3.054 -8.431 1.783 1.00 0.00 N ATOM 592 CA TYR A 42 -3.908 -7.273 1.652 1.00 0.00 C ATOM 593 C TYR A 42 -4.930 -7.549 0.585 1.00 0.00 C ATOM 594 O TYR A 42 -4.764 -7.165 -0.567 1.00 0.00 O ATOM 595 CB TYR A 42 -3.151 -5.957 1.354 1.00 0.00 C ATOM 596 CG TYR A 42 -2.109 -5.520 2.378 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.896 -6.189 2.508 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.331 -4.414 3.187 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.059 -5.770 3.414 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.375 -3.982 4.088 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.182 -4.662 4.196 1.00 0.00 C ATOM 602 OH TYR A 42 0.776 -4.229 5.081 1.00 0.00 O ATOM 0 H TYR A 42 -2.333 -8.530 1.068 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.385 -7.113 2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.657 -6.060 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.885 -5.158 1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.697 -7.052 1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.267 -3.881 3.111 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.990 -6.309 3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.563 -3.115 4.704 1.00 0.00 H new ATOM 0 HH TYR A 42 0.579 -3.308 5.351 1.00 0.00 H new ATOM 612 N ILE A 43 -5.885 -8.359 0.945 1.00 0.00 N ATOM 613 CA ILE A 43 -6.997 -8.684 0.070 1.00 0.00 C ATOM 614 C ILE A 43 -8.084 -7.584 0.184 1.00 0.00 C ATOM 615 O ILE A 43 -8.464 -7.202 1.293 1.00 0.00 O ATOM 616 CB ILE A 43 -7.604 -10.117 0.379 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.603 -11.254 0.076 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.905 -10.370 -0.367 1.00 0.00 C ATOM 619 CD1 ILE A 43 -5.497 -11.444 1.091 1.00 0.00 C ATOM 0 H ILE A 43 -5.923 -8.819 1.855 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.624 -8.719 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.816 -10.118 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.158 -12.188 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.149 -11.064 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.278 -11.364 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.643 -9.623 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.727 -10.305 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.854 -12.267 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.907 -10.530 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.932 -11.672 2.064 1.00 0.00 H new ATOM 631 N PRO A 44 -8.597 -7.065 -0.954 1.00 0.00 N ATOM 632 CA PRO A 44 -9.592 -5.963 -0.968 1.00 0.00 C ATOM 633 C PRO A 44 -10.897 -6.270 -0.222 1.00 0.00 C ATOM 634 O PRO A 44 -11.612 -5.358 0.198 1.00 0.00 O ATOM 635 CB PRO A 44 -9.903 -5.765 -2.442 1.00 0.00 C ATOM 636 CG PRO A 44 -8.759 -6.364 -3.178 1.00 0.00 C ATOM 637 CD PRO A 44 -8.230 -7.475 -2.326 1.00 0.00 C ATOM 0 HA PRO A 44 -9.179 -5.092 -0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.840 -6.251 -2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.011 -4.707 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.079 -6.741 -4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.986 -5.618 -3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.678 -8.432 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.151 -7.586 -2.436 1.00 0.00 H new ATOM 645 N SER A 45 -11.201 -7.527 -0.065 1.00 0.00 N ATOM 646 CA SER A 45 -12.413 -7.925 0.576 1.00 0.00 C ATOM 647 C SER A 45 -12.268 -7.876 2.089 1.00 0.00 C ATOM 648 O SER A 45 -13.236 -7.625 2.802 1.00 0.00 O ATOM 649 CB SER A 45 -12.781 -9.325 0.121 1.00 0.00 C ATOM 650 OG SER A 45 -12.832 -9.384 -1.300 1.00 0.00 O ATOM 0 H SER A 45 -10.614 -8.300 -0.378 1.00 0.00 H new ATOM 0 HA SER A 45 -13.207 -7.233 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.049 -10.041 0.496 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.747 -9.609 0.539 1.00 0.00 H new ATOM 0 HG SER A 45 -13.069 -10.292 -1.581 1.00 0.00 H new ATOM 656 N LYS A 46 -11.054 -8.066 2.574 1.00 0.00 N ATOM 657 CA LYS A 46 -10.830 -8.124 3.972 1.00 0.00 C ATOM 658 C LYS A 46 -10.537 -6.745 4.541 1.00 0.00 C ATOM 659 O LYS A 46 -10.698 -6.509 5.745 1.00 0.00 O ATOM 660 CB LYS A 46 -9.745 -9.138 4.291 1.00 0.00 C ATOM 661 CG LYS A 46 -8.347 -8.782 3.836 1.00 0.00 C ATOM 662 CD LYS A 46 -7.341 -9.864 4.207 1.00 0.00 C ATOM 663 CE LYS A 46 -7.216 -10.009 5.712 1.00 0.00 C ATOM 664 NZ LYS A 46 -6.199 -10.992 6.098 1.00 0.00 N ATOM 0 H LYS A 46 -10.217 -8.181 2.002 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.742 -8.465 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.726 -9.292 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.021 -10.090 3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.342 -8.636 2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.047 -7.836 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.650 -10.815 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.368 -9.620 3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.966 -9.042 6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.179 -10.306 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.152 -11.054 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.449 -11.922 5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.273 -10.698 5.727 1.00 0.00 H new ATOM 678 N PHE A 47 -10.105 -5.843 3.683 1.00 0.00 N ATOM 679 CA PHE A 47 -9.918 -4.449 4.066 1.00 0.00 C ATOM 680 C PHE A 47 -10.648 -3.564 3.039 1.00 0.00 C ATOM 681 O PHE A 47 -10.022 -2.922 2.198 1.00 0.00 O ATOM 682 CB PHE A 47 -8.423 -4.051 4.137 1.00 0.00 C ATOM 683 CG PHE A 47 -7.546 -4.991 4.940 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.753 -5.182 6.300 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.509 -5.680 4.326 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.946 -6.045 7.024 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.702 -6.539 5.050 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.922 -6.722 6.398 1.00 0.00 C ATOM 0 H PHE A 47 -9.875 -6.047 2.711 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.329 -4.308 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.030 -3.990 3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.349 -3.052 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.551 -4.652 6.799 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.330 -5.544 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.120 -6.187 8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.898 -7.067 4.558 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.293 -7.395 6.963 1.00 0.00 H new ATOM 698 N PRO A 48 -11.992 -3.544 3.072 1.00 0.00 N ATOM 699 CA PRO A 48 -12.796 -2.850 2.055 1.00 0.00 C ATOM 700 C PRO A 48 -12.832 -1.340 2.253 1.00 0.00 C ATOM 701 O PRO A 48 -12.806 -0.571 1.292 1.00 0.00 O ATOM 702 CB PRO A 48 -14.187 -3.441 2.281 1.00 0.00 C ATOM 703 CG PRO A 48 -14.225 -3.712 3.746 1.00 0.00 C ATOM 704 CD PRO A 48 -12.850 -4.198 4.097 1.00 0.00 C ATOM 0 HA PRO A 48 -12.395 -2.987 1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.971 -2.745 1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.333 -4.353 1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.478 -2.812 4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.980 -4.460 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.565 -3.906 5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.781 -5.285 4.047 1.00 0.00 H new ATOM 712 N ASN A 49 -12.846 -0.928 3.506 1.00 0.00 N ATOM 713 CA ASN A 49 -12.992 0.477 3.873 1.00 0.00 C ATOM 714 C ASN A 49 -11.783 1.305 3.443 1.00 0.00 C ATOM 715 O ASN A 49 -11.902 2.483 3.112 1.00 0.00 O ATOM 716 CB ASN A 49 -13.273 0.604 5.380 1.00 0.00 C ATOM 717 CG ASN A 49 -13.315 2.038 5.870 1.00 0.00 C ATOM 718 OD1 ASN A 49 -12.237 2.485 6.449 1.00 0.00 O flip ATOM 719 ND2 ASN A 49 -14.349 2.704 5.802 1.00 0.00 N flip ATOM 0 H ASN A 49 -12.756 -1.556 4.304 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.847 0.885 3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.225 0.124 5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.504 0.063 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.174 2.320 5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.381 3.639 6.207 1.00 0.00 H new ATOM 726 N LYS A 50 -10.630 0.664 3.388 1.00 0.00 N ATOM 727 CA LYS A 50 -9.396 1.302 2.965 1.00 0.00 C ATOM 728 C LYS A 50 -9.298 1.419 1.427 1.00 0.00 C ATOM 729 O LYS A 50 -8.264 1.806 0.875 1.00 0.00 O ATOM 730 CB LYS A 50 -8.235 0.542 3.555 1.00 0.00 C ATOM 731 CG LYS A 50 -7.877 0.916 5.000 1.00 0.00 C ATOM 732 CD LYS A 50 -9.028 0.996 5.980 1.00 0.00 C ATOM 733 CE LYS A 50 -8.560 1.572 7.323 1.00 0.00 C ATOM 734 NZ LYS A 50 -7.530 0.742 7.992 1.00 0.00 N ATOM 0 H LYS A 50 -10.522 -0.319 3.637 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.377 2.327 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.462 -0.523 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.359 0.703 2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.160 0.185 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.371 1.881 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.820 1.621 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.452 0.003 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.161 2.573 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.420 1.675 7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.417 1.056 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.825 -0.255 7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.624 0.842 7.491 1.00 0.00 H new ATOM 748 N ASN A 51 -10.384 1.042 0.779 1.00 0.00 N ATOM 749 CA ASN A 51 -10.643 1.229 -0.653 1.00 0.00 C ATOM 750 C ASN A 51 -9.737 0.439 -1.550 1.00 0.00 C ATOM 751 O ASN A 51 -9.510 0.856 -2.679 1.00 0.00 O ATOM 752 CB ASN A 51 -10.555 2.708 -1.049 1.00 0.00 C ATOM 753 CG ASN A 51 -11.440 3.027 -2.248 1.00 0.00 C ATOM 754 OD1 ASN A 51 -10.973 3.887 -3.099 1.00 0.00 O flip ATOM 755 ND2 ASN A 51 -12.520 2.444 -2.420 1.00 0.00 N flip ATOM 0 H ASN A 51 -11.155 0.572 1.254 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.656 0.854 -0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.851 3.329 -0.203 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.521 2.961 -1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.854 1.774 -1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.075 2.634 -3.254 1.00 0.00 H new ATOM 762 N LEU A 52 -9.300 -0.739 -1.122 1.00 0.00 N ATOM 763 CA LEU A 52 -8.338 -1.539 -1.895 1.00 0.00 C ATOM 764 C LEU A 52 -8.912 -1.952 -3.225 1.00 0.00 C ATOM 765 O LEU A 52 -9.559 -2.959 -3.329 1.00 0.00 O ATOM 766 CB LEU A 52 -7.864 -2.780 -1.126 1.00 0.00 C ATOM 767 CG LEU A 52 -6.782 -2.607 -0.052 1.00 0.00 C ATOM 768 CD1 LEU A 52 -7.251 -1.736 1.081 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.335 -3.957 0.472 1.00 0.00 C ATOM 0 H LEU A 52 -9.592 -1.168 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.473 -0.898 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.736 -3.227 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.495 -3.501 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.934 -2.108 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.455 -1.639 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.512 -0.750 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.126 -2.187 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.567 -3.816 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.187 -4.478 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.929 -4.549 -0.348 1.00 0.00 H new ATOM 781 N LYS A 53 -8.725 -1.138 -4.231 1.00 0.00 N ATOM 782 CA LYS A 53 -9.293 -1.451 -5.513 1.00 0.00 C ATOM 783 C LYS A 53 -8.214 -1.514 -6.534 1.00 0.00 C ATOM 784 O LYS A 53 -7.266 -0.723 -6.490 1.00 0.00 O ATOM 785 CB LYS A 53 -10.356 -0.433 -5.959 1.00 0.00 C ATOM 786 CG LYS A 53 -11.501 -0.106 -4.956 1.00 0.00 C ATOM 787 CD LYS A 53 -12.672 -1.123 -4.916 1.00 0.00 C ATOM 788 CE LYS A 53 -12.284 -2.522 -4.434 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.448 -3.418 -4.273 1.00 0.00 N ATOM 0 H LYS A 53 -8.193 -0.269 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.789 -2.417 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.847 0.499 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.809 -0.801 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.073 -0.033 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.905 0.876 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.453 -0.732 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.101 -1.203 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.586 -2.965 -5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.760 -2.440 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.125 -4.351 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.104 -3.013 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.935 -3.522 -5.186 1.00 0.00 H new ATOM 803 N LYS A 54 -8.409 -2.413 -7.458 1.00 0.00 N ATOM 804 CA LYS A 54 -7.491 -2.720 -8.541 1.00 0.00 C ATOM 805 C LYS A 54 -6.047 -2.796 -8.079 1.00 0.00 C ATOM 806 O LYS A 54 -5.677 -3.686 -7.319 1.00 0.00 O ATOM 807 CB LYS A 54 -7.679 -1.766 -9.741 1.00 0.00 C ATOM 808 CG LYS A 54 -9.058 -1.850 -10.348 1.00 0.00 C ATOM 809 CD LYS A 54 -9.235 -0.913 -11.534 1.00 0.00 C ATOM 810 CE LYS A 54 -10.626 -1.064 -12.121 1.00 0.00 C ATOM 811 NZ LYS A 54 -10.884 -0.144 -13.253 1.00 0.00 N ATOM 0 H LYS A 54 -9.253 -2.985 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.745 -3.720 -8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.492 -0.742 -9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.937 -2.000 -10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.248 -2.875 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.801 -1.611 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.076 0.118 -11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.486 -1.133 -12.295 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.762 -2.092 -12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.365 -0.885 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.849 -0.295 -13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.784 0.840 -12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.200 -0.330 -14.014 1.00 0.00 H new ATOM 825 N ASN A 55 -5.284 -1.833 -8.475 1.00 0.00 N ATOM 826 CA ASN A 55 -3.889 -1.724 -8.148 1.00 0.00 C ATOM 827 C ASN A 55 -3.648 -0.282 -7.767 1.00 0.00 C ATOM 828 O ASN A 55 -2.560 0.259 -7.918 1.00 0.00 O ATOM 829 CB ASN A 55 -3.042 -2.082 -9.381 1.00 0.00 C ATOM 830 CG ASN A 55 -3.189 -1.077 -10.527 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.270 -0.502 -10.759 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.126 -0.829 -11.232 1.00 0.00 N ATOM 0 H ASN A 55 -5.622 -1.067 -9.058 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.617 -2.399 -7.336 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.993 -2.139 -9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.329 -3.072 -9.736 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.166 -0.152 -11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.252 -1.312 -11.024 1.00 0.00 H new ATOM 839 N TYR A 56 -4.690 0.340 -7.292 1.00 0.00 N ATOM 840 CA TYR A 56 -4.621 1.718 -6.931 1.00 0.00 C ATOM 841 C TYR A 56 -3.978 1.877 -5.586 1.00 0.00 C ATOM 842 O TYR A 56 -4.254 1.107 -4.680 1.00 0.00 O ATOM 843 CB TYR A 56 -6.005 2.334 -6.945 1.00 0.00 C ATOM 844 CG TYR A 56 -6.669 2.352 -8.312 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.935 2.582 -9.481 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.036 2.164 -8.433 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.550 2.614 -10.716 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.652 2.192 -9.666 1.00 0.00 C ATOM 849 CZ TYR A 56 -7.905 2.416 -10.803 1.00 0.00 C ATOM 850 OH TYR A 56 -8.524 2.439 -12.035 1.00 0.00 O ATOM 0 H TYR A 56 -5.602 -0.094 -7.147 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.006 2.241 -7.663 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.642 1.784 -6.252 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.938 3.356 -6.573 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.868 2.737 -9.416 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.629 1.993 -7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.969 2.794 -11.608 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.718 2.039 -9.741 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.484 2.281 -11.922 1.00 0.00 H new ATOM 860 N CYS A 57 -3.132 2.873 -5.471 1.00 0.00 N ATOM 861 CA CYS A 57 -2.395 3.144 -4.263 1.00 0.00 C ATOM 862 C CYS A 57 -3.326 3.484 -3.128 1.00 0.00 C ATOM 863 O CYS A 57 -4.220 4.338 -3.248 1.00 0.00 O ATOM 864 CB CYS A 57 -1.384 4.252 -4.485 1.00 0.00 C ATOM 865 SG CYS A 57 -0.114 3.859 -5.731 1.00 0.00 S ATOM 0 H CYS A 57 -2.934 3.528 -6.228 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.851 2.240 -3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.912 5.155 -4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.892 4.476 -3.538 1.00 0.00 H new ATOM 870 N ARG A 58 -3.122 2.822 -2.037 1.00 0.00 N ATOM 871 CA ARG A 58 -3.982 2.931 -0.903 1.00 0.00 C ATOM 872 C ARG A 58 -3.095 3.141 0.312 1.00 0.00 C ATOM 873 O ARG A 58 -1.880 2.953 0.228 1.00 0.00 O ATOM 874 CB ARG A 58 -4.711 1.582 -0.722 1.00 0.00 C ATOM 875 CG ARG A 58 -5.392 0.998 -1.947 1.00 0.00 C ATOM 876 CD ARG A 58 -6.795 1.504 -2.230 1.00 0.00 C ATOM 877 NE ARG A 58 -6.915 2.889 -2.629 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.404 3.325 -3.785 1.00 0.00 C ATOM 879 NH1 ARG A 58 -8.314 2.607 -4.440 1.00 0.00 N ATOM 880 NH2 ARG A 58 -7.121 4.542 -4.192 1.00 0.00 N ATOM 0 H ARG A 58 -2.341 2.180 -1.905 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.697 3.744 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.988 0.853 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.463 1.705 0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.770 1.204 -2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.433 -0.085 -1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.229 0.884 -3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.399 1.354 -1.335 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.596 3.594 -1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.638 1.720 -4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.688 2.944 -5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.529 5.146 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.493 4.883 -5.078 1.00 0.00 H new ATOM 894 N ASN A 59 -3.672 3.544 1.396 1.00 0.00 N ATOM 895 CA ASN A 59 -2.982 3.547 2.668 1.00 0.00 C ATOM 896 C ASN A 59 -3.885 2.771 3.603 1.00 0.00 C ATOM 897 O ASN A 59 -4.770 3.327 4.235 1.00 0.00 O ATOM 898 CB ASN A 59 -2.696 4.970 3.223 1.00 0.00 C ATOM 899 CG ASN A 59 -1.852 4.946 4.508 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.815 3.961 5.233 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.213 6.041 4.823 1.00 0.00 N ATOM 0 H ASN A 59 -4.633 3.882 1.437 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.993 3.101 2.561 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.177 5.555 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.641 5.474 3.423 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.671 6.085 5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.256 6.852 4.206 1.00 0.00 H new ATOM 908 N PRO A 60 -3.750 1.452 3.604 1.00 0.00 N ATOM 909 CA PRO A 60 -4.649 0.582 4.328 1.00 0.00 C ATOM 910 C PRO A 60 -4.291 0.375 5.793 1.00 0.00 C ATOM 911 O PRO A 60 -5.161 0.363 6.670 1.00 0.00 O ATOM 912 CB PRO A 60 -4.515 -0.726 3.555 1.00 0.00 C ATOM 913 CG PRO A 60 -3.092 -0.745 3.109 1.00 0.00 C ATOM 914 CD PRO A 60 -2.709 0.690 2.876 1.00 0.00 C ATOM 0 HA PRO A 60 -5.655 0.999 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.746 -1.586 4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.198 -0.759 2.707 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.453 -1.201 3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.977 -1.332 2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.712 0.906 3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.702 0.935 1.814 1.00 0.00 H new ATOM 922 N ASP A 61 -3.042 0.235 6.031 1.00 0.00 N ATOM 923 CA ASP A 61 -2.501 -0.142 7.305 1.00 0.00 C ATOM 924 C ASP A 61 -1.965 1.013 8.103 1.00 0.00 C ATOM 925 O ASP A 61 -1.504 0.819 9.239 1.00 0.00 O ATOM 926 CB ASP A 61 -1.403 -1.169 7.090 1.00 0.00 C ATOM 927 CG ASP A 61 -0.346 -0.772 6.064 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.433 0.324 5.438 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.567 -1.572 5.853 1.00 0.00 O ATOM 0 H ASP A 61 -2.327 0.384 5.319 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.323 -0.557 7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.910 -1.358 8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.860 -2.108 6.776 1.00 0.00 H new ATOM 934 N ARG A 62 -2.027 2.194 7.535 1.00 0.00 N ATOM 935 CA ARG A 62 -1.514 3.406 8.155 1.00 0.00 C ATOM 936 C ARG A 62 -0.004 3.461 8.132 1.00 0.00 C ATOM 937 O ARG A 62 0.663 3.425 9.173 1.00 0.00 O ATOM 938 CB ARG A 62 -2.095 3.692 9.556 1.00 0.00 C ATOM 939 CG ARG A 62 -3.542 4.143 9.550 1.00 0.00 C ATOM 940 CD ARG A 62 -3.661 5.554 9.006 1.00 0.00 C ATOM 941 NE ARG A 62 -5.048 5.989 8.917 1.00 0.00 N ATOM 942 CZ ARG A 62 -5.502 7.213 9.203 1.00 0.00 C ATOM 943 NH1 ARG A 62 -4.710 8.118 9.783 1.00 0.00 N ATOM 944 NH2 ARG A 62 -6.760 7.515 8.940 1.00 0.00 N ATOM 0 H ARG A 62 -2.440 2.349 6.615 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.875 4.224 7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.010 2.791 10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.489 4.459 10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.138 3.462 8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.945 4.103 10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.107 6.238 9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.202 5.602 8.019 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.733 5.299 8.609 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.746 7.879 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.069 9.049 9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.375 6.817 8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.116 8.446 9.154 1.00 0.00 H new ATOM 958 N ASP A 63 0.527 3.439 6.937 1.00 0.00 N ATOM 959 CA ASP A 63 1.937 3.676 6.704 1.00 0.00 C ATOM 960 C ASP A 63 2.088 5.211 6.714 1.00 0.00 C ATOM 961 O ASP A 63 1.109 5.932 7.015 1.00 0.00 O ATOM 962 CB ASP A 63 2.333 3.117 5.322 1.00 0.00 C ATOM 963 CG ASP A 63 3.817 2.805 5.224 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.639 3.700 5.377 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.182 1.628 5.031 1.00 0.00 O ATOM 0 H ASP A 63 -0.007 3.255 6.088 1.00 0.00 H new ATOM 0 HA ASP A 63 2.570 3.196 7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.761 2.211 5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.065 3.840 4.551 1.00 0.00 H new ATOM 970 N LEU A 64 3.231 5.714 6.372 1.00 0.00 N ATOM 971 CA LEU A 64 3.498 7.156 6.407 1.00 0.00 C ATOM 972 C LEU A 64 2.620 7.906 5.410 1.00 0.00 C ATOM 973 O LEU A 64 2.086 8.972 5.709 1.00 0.00 O ATOM 974 CB LEU A 64 4.990 7.458 6.166 1.00 0.00 C ATOM 975 CG LEU A 64 5.987 7.128 7.308 1.00 0.00 C ATOM 976 CD1 LEU A 64 5.962 5.656 7.707 1.00 0.00 C ATOM 977 CD2 LEU A 64 7.383 7.522 6.897 1.00 0.00 C ATOM 0 H LEU A 64 4.022 5.153 6.056 1.00 0.00 H new ATOM 0 HA LEU A 64 3.246 7.510 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.304 6.909 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.084 8.519 5.935 1.00 0.00 H new ATOM 0 HG LEU A 64 5.675 7.702 8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.679 5.484 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.963 5.389 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.226 5.041 6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.079 7.288 7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.667 6.971 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.413 8.592 6.691 1.00 0.00 H new ATOM 989 N ARG A 65 2.445 7.324 4.259 1.00 0.00 N ATOM 990 CA ARG A 65 1.602 7.853 3.222 1.00 0.00 C ATOM 991 C ARG A 65 1.246 6.681 2.329 1.00 0.00 C ATOM 992 O ARG A 65 1.853 5.620 2.505 1.00 0.00 O ATOM 993 CB ARG A 65 2.297 9.010 2.446 1.00 0.00 C ATOM 994 CG ARG A 65 3.591 8.661 1.730 1.00 0.00 C ATOM 995 CD ARG A 65 4.112 9.874 0.976 1.00 0.00 C ATOM 996 NE ARG A 65 5.367 9.614 0.258 1.00 0.00 N ATOM 997 CZ ARG A 65 5.757 10.248 -0.860 1.00 0.00 C ATOM 998 NH1 ARG A 65 4.989 11.191 -1.396 1.00 0.00 N ATOM 999 NH2 ARG A 65 6.926 9.951 -1.415 1.00 0.00 N ATOM 0 H ARG A 65 2.896 6.444 4.007 1.00 0.00 H new ATOM 0 HA ARG A 65 0.700 8.303 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.593 9.399 1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.502 9.818 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.335 8.323 2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.422 7.837 1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.355 10.204 0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.266 10.692 1.679 1.00 0.00 H new ATOM 0 HE ARG A 65 5.988 8.899 0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.101 11.435 -0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.288 11.671 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.526 9.243 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.224 10.431 -2.264 1.00 0.00 H new ATOM 1013 N PRO A 66 0.247 6.803 1.405 1.00 0.00 N ATOM 1014 CA PRO A 66 -0.160 5.692 0.539 1.00 0.00 C ATOM 1015 C PRO A 66 0.990 5.067 -0.217 1.00 0.00 C ATOM 1016 O PRO A 66 1.993 5.718 -0.548 1.00 0.00 O ATOM 1017 CB PRO A 66 -1.176 6.322 -0.401 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.755 7.394 0.431 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.580 7.994 1.137 1.00 0.00 C ATOM 0 HA PRO A 66 -0.566 4.861 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.706 6.716 -1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.931 5.605 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.272 8.134 -0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.484 6.998 1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.059 8.723 0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.871 8.505 2.055 1.00 0.00 H new ATOM 1027 N TRP A 67 0.810 3.845 -0.526 1.00 0.00 N ATOM 1028 CA TRP A 67 1.808 3.015 -1.078 1.00 0.00 C ATOM 1029 C TRP A 67 1.100 1.953 -1.864 1.00 0.00 C ATOM 1030 O TRP A 67 -0.151 1.944 -1.900 1.00 0.00 O ATOM 1031 CB TRP A 67 2.668 2.392 0.061 1.00 0.00 C ATOM 1032 CG TRP A 67 1.880 1.575 1.063 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.280 2.026 2.207 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.609 0.171 1.002 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.657 0.983 2.850 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.840 -0.157 2.126 1.00 0.00 C ATOM 1037 CE3 TRP A 67 1.941 -0.838 0.100 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.398 -1.447 2.370 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.504 -2.111 0.345 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.737 -2.407 1.469 1.00 0.00 C ATOM 0 H TRP A 67 -0.083 3.369 -0.395 1.00 0.00 H new ATOM 0 HA TRP A 67 2.485 3.576 -1.723 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.435 1.758 -0.384 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.185 3.193 0.590 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.294 3.049 2.553 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.141 1.051 3.727 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.533 -0.619 -0.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.193 -1.681 3.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.759 -2.901 -0.346 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.404 -3.422 1.629 1.00 0.00 H new ATOM 1051 N CYS A 68 1.838 1.082 -2.484 1.00 0.00 N ATOM 1052 CA CYS A 68 1.245 0.024 -3.226 1.00 0.00 C ATOM 1053 C CYS A 68 2.309 -1.033 -3.475 1.00 0.00 C ATOM 1054 O CYS A 68 3.511 -0.755 -3.284 1.00 0.00 O ATOM 1055 CB CYS A 68 0.692 0.578 -4.537 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.847 -0.196 -5.081 1.00 0.00 S ATOM 0 H CYS A 68 2.858 1.088 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 68 0.418 -0.427 -2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.526 1.649 -4.424 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.443 0.453 -5.317 1.00 0.00 H new ATOM 1061 N PHE A 69 1.896 -2.234 -3.841 1.00 0.00 N ATOM 1062 CA PHE A 69 2.830 -3.289 -4.146 1.00 0.00 C ATOM 1063 C PHE A 69 3.309 -3.132 -5.560 1.00 0.00 C ATOM 1064 O PHE A 69 2.541 -2.805 -6.433 1.00 0.00 O ATOM 1065 CB PHE A 69 2.211 -4.673 -3.945 1.00 0.00 C ATOM 1066 CG PHE A 69 2.094 -5.101 -2.510 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.188 -5.644 -1.852 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.908 -4.973 -1.822 1.00 0.00 C ATOM 1069 CE1 PHE A 69 3.099 -6.047 -0.536 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.813 -5.378 -0.505 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.909 -5.914 0.138 1.00 0.00 C ATOM 0 H PHE A 69 0.915 -2.498 -3.933 1.00 0.00 H new ATOM 0 HA PHE A 69 3.672 -3.210 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.219 -4.682 -4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.812 -5.407 -4.482 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.124 -5.753 -2.379 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.045 -4.552 -2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.961 -6.465 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.123 -5.275 0.023 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.832 -6.228 1.168 1.00 0.00 H new ATOM 1081 N THR A 70 4.550 -3.351 -5.788 1.00 0.00 N ATOM 1082 CA THR A 70 5.089 -3.170 -7.090 1.00 0.00 C ATOM 1083 C THR A 70 4.871 -4.413 -7.951 1.00 0.00 C ATOM 1084 O THR A 70 4.812 -5.546 -7.439 1.00 0.00 O ATOM 1085 CB THR A 70 6.579 -2.902 -6.998 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.910 -2.492 -5.661 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.972 -1.813 -7.959 1.00 0.00 C ATOM 0 H THR A 70 5.221 -3.659 -5.084 1.00 0.00 H new ATOM 0 HA THR A 70 4.579 -2.323 -7.548 1.00 0.00 H new ATOM 0 HB THR A 70 7.118 -3.815 -7.251 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.309 -3.245 -5.177 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.044 -1.630 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.727 -2.119 -8.976 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.430 -0.899 -7.715 1.00 0.00 H new ATOM 1095 N THR A 71 4.730 -4.202 -9.243 1.00 0.00 N ATOM 1096 CA THR A 71 4.636 -5.298 -10.174 1.00 0.00 C ATOM 1097 C THR A 71 6.061 -5.819 -10.491 1.00 0.00 C ATOM 1098 O THR A 71 6.234 -6.921 -11.029 1.00 0.00 O ATOM 1099 CB THR A 71 3.859 -4.884 -11.476 1.00 0.00 C ATOM 1100 OG1 THR A 71 3.681 -5.998 -12.364 1.00 0.00 O ATOM 1101 CG2 THR A 71 4.574 -3.774 -12.217 1.00 0.00 C ATOM 0 H THR A 71 4.678 -3.277 -9.670 1.00 0.00 H new ATOM 0 HA THR A 71 4.061 -6.105 -9.720 1.00 0.00 H new ATOM 0 HB THR A 71 2.881 -4.529 -11.152 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.193 -5.706 -13.162 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.010 -3.512 -13.112 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.657 -2.900 -11.571 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.571 -4.110 -12.502 1.00 0.00 H new ATOM 1109 N ASP A 72 7.090 -5.031 -10.105 1.00 0.00 N ATOM 1110 CA ASP A 72 8.467 -5.432 -10.285 1.00 0.00 C ATOM 1111 C ASP A 72 8.723 -6.577 -9.337 1.00 0.00 C ATOM 1112 O ASP A 72 8.481 -6.434 -8.155 1.00 0.00 O ATOM 1113 CB ASP A 72 9.407 -4.256 -9.972 1.00 0.00 C ATOM 1114 CG ASP A 72 10.870 -4.640 -10.014 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.405 -5.141 -9.008 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.518 -4.427 -11.055 1.00 0.00 O ATOM 0 H ASP A 72 6.973 -4.117 -9.668 1.00 0.00 H new ATOM 0 HA ASP A 72 8.652 -5.737 -11.315 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.227 -3.454 -10.688 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.169 -3.861 -8.984 1.00 0.00 H new ATOM 1121 N PRO A 73 9.199 -7.731 -9.835 1.00 0.00 N ATOM 1122 CA PRO A 73 9.338 -8.949 -9.026 1.00 0.00 C ATOM 1123 C PRO A 73 10.205 -8.785 -7.782 1.00 0.00 C ATOM 1124 O PRO A 73 9.938 -9.407 -6.750 1.00 0.00 O ATOM 1125 CB PRO A 73 9.932 -9.984 -9.985 1.00 0.00 C ATOM 1126 CG PRO A 73 10.483 -9.197 -11.121 1.00 0.00 C ATOM 1127 CD PRO A 73 9.648 -7.954 -11.223 1.00 0.00 C ATOM 0 HA PRO A 73 8.370 -9.242 -8.620 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.712 -10.570 -9.498 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.171 -10.687 -10.326 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.530 -8.948 -10.949 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.440 -9.770 -12.047 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.227 -7.110 -11.599 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.806 -8.090 -11.901 1.00 0.00 H new ATOM 1135 N ASN A 74 11.189 -7.928 -7.849 1.00 0.00 N ATOM 1136 CA ASN A 74 12.068 -7.734 -6.721 1.00 0.00 C ATOM 1137 C ASN A 74 11.494 -6.723 -5.760 1.00 0.00 C ATOM 1138 O ASN A 74 11.592 -6.885 -4.539 1.00 0.00 O ATOM 1139 CB ASN A 74 13.471 -7.317 -7.170 1.00 0.00 C ATOM 1140 CG ASN A 74 14.397 -6.995 -6.001 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.049 -7.881 -5.436 1.00 0.00 O ATOM 1142 ND2 ASN A 74 14.491 -5.738 -5.661 1.00 0.00 N ATOM 0 H ASN A 74 11.403 -7.356 -8.666 1.00 0.00 H new ATOM 0 HA ASN A 74 12.155 -8.689 -6.203 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.910 -8.118 -7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.395 -6.444 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.118 -5.459 -4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.937 -5.035 -6.150 1.00 0.00 H new ATOM 1149 N LYS A 75 10.855 -5.712 -6.287 1.00 0.00 N ATOM 1150 CA LYS A 75 10.348 -4.657 -5.456 1.00 0.00 C ATOM 1151 C LYS A 75 9.024 -5.043 -4.866 1.00 0.00 C ATOM 1152 O LYS A 75 8.038 -5.137 -5.572 1.00 0.00 O ATOM 1153 CB LYS A 75 10.193 -3.366 -6.227 1.00 0.00 C ATOM 1154 CG LYS A 75 10.377 -2.160 -5.327 1.00 0.00 C ATOM 1155 CD LYS A 75 10.591 -0.910 -6.112 1.00 0.00 C ATOM 1156 CE LYS A 75 11.057 0.215 -5.211 1.00 0.00 C ATOM 1157 NZ LYS A 75 11.386 1.424 -5.975 1.00 0.00 N ATOM 0 H LYS A 75 10.675 -5.598 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 75 11.073 -4.498 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.923 -3.333 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.206 -3.331 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.499 -2.044 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.229 -2.325 -4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.331 -1.087 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.664 -0.624 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.278 0.445 -4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.932 -0.109 -4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.652 2.187 -5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.181 1.224 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.559 1.719 -6.532 1.00 0.00 H new ATOM 1171 N ARG A 76 8.998 -5.245 -3.581 1.00 0.00 N ATOM 1172 CA ARG A 76 7.783 -5.657 -2.908 1.00 0.00 C ATOM 1173 C ARG A 76 6.794 -4.523 -2.906 1.00 0.00 C ATOM 1174 O ARG A 76 5.709 -4.638 -3.460 1.00 0.00 O ATOM 1175 CB ARG A 76 8.077 -6.134 -1.493 1.00 0.00 C ATOM 1176 CG ARG A 76 6.853 -6.628 -0.722 1.00 0.00 C ATOM 1177 CD ARG A 76 7.251 -7.353 0.559 1.00 0.00 C ATOM 1178 NE ARG A 76 7.714 -8.728 0.298 1.00 0.00 N ATOM 1179 CZ ARG A 76 8.978 -9.183 0.428 1.00 0.00 C ATOM 1180 NH1 ARG A 76 9.994 -8.340 0.610 1.00 0.00 N ATOM 1181 NH2 ARG A 76 9.224 -10.484 0.321 1.00 0.00 N ATOM 0 H ARG A 76 9.805 -5.133 -2.968 1.00 0.00 H new ATOM 0 HA ARG A 76 7.349 -6.498 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.810 -6.939 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.536 -5.317 -0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.211 -5.782 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.270 -7.298 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.041 -6.794 1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.399 -7.381 1.239 1.00 0.00 H new ATOM 0 HE ARG A 76 7.012 -9.400 -0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.822 -7.336 0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.944 -8.699 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.459 -11.135 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.178 -10.832 0.419 1.00 0.00 H new ATOM 1195 N TRP A 77 7.184 -3.429 -2.329 1.00 0.00 N ATOM 1196 CA TRP A 77 6.329 -2.259 -2.302 1.00 0.00 C ATOM 1197 C TRP A 77 7.135 -1.000 -2.460 1.00 0.00 C ATOM 1198 O TRP A 77 8.373 -1.017 -2.357 1.00 0.00 O ATOM 1199 CB TRP A 77 5.463 -2.185 -1.015 1.00 0.00 C ATOM 1200 CG TRP A 77 6.248 -2.104 0.278 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.685 -3.140 1.050 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.662 -0.905 0.957 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.384 -2.660 2.131 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.376 -1.298 2.101 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.511 0.456 0.698 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.931 -0.381 2.985 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 7.058 1.363 1.574 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.763 0.942 2.706 1.00 0.00 C ATOM 0 H TRP A 77 8.086 -3.311 -1.868 1.00 0.00 H new ATOM 0 HA TRP A 77 5.647 -2.352 -3.147 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.811 -1.314 -1.083 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.818 -3.063 -0.977 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.508 -4.185 0.842 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.837 -3.233 2.843 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.973 0.792 -0.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.475 -0.705 3.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.941 2.420 1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.183 1.681 3.373 1.00 0.00 H new ATOM 1219 N GLU A 78 6.438 0.072 -2.686 1.00 0.00 N ATOM 1220 CA GLU A 78 7.024 1.383 -2.785 1.00 0.00 C ATOM 1221 C GLU A 78 5.967 2.366 -2.332 1.00 0.00 C ATOM 1222 O GLU A 78 4.778 2.017 -2.305 1.00 0.00 O ATOM 1223 CB GLU A 78 7.402 1.719 -4.231 1.00 0.00 C ATOM 1224 CG GLU A 78 8.375 2.881 -4.357 1.00 0.00 C ATOM 1225 CD GLU A 78 8.606 3.282 -5.776 1.00 0.00 C ATOM 1226 OE1 GLU A 78 9.080 2.478 -6.562 1.00 0.00 O ATOM 1227 OE2 GLU A 78 8.326 4.426 -6.130 1.00 0.00 O ATOM 0 H GLU A 78 5.426 0.064 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 78 7.929 1.427 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.842 0.837 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.495 1.954 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.990 3.735 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.326 2.605 -3.901 1.00 0.00 H new ATOM 1234 N TYR A 79 6.375 3.563 -1.971 1.00 0.00 N ATOM 1235 CA TYR A 79 5.445 4.586 -1.618 1.00 0.00 C ATOM 1236 C TYR A 79 4.842 5.163 -2.865 1.00 0.00 C ATOM 1237 O TYR A 79 5.466 5.170 -3.925 1.00 0.00 O ATOM 1238 CB TYR A 79 6.111 5.702 -0.810 1.00 0.00 C ATOM 1239 CG TYR A 79 6.368 5.372 0.637 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.374 5.566 1.579 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.595 4.887 1.068 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.584 5.289 2.905 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.816 4.603 2.405 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.805 4.809 3.317 1.00 0.00 C ATOM 1245 OH TYR A 79 7.004 4.516 4.651 1.00 0.00 O ATOM 0 H TYR A 79 7.355 3.842 -1.917 1.00 0.00 H new ATOM 0 HA TYR A 79 4.671 4.137 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.059 5.957 -1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.482 6.591 -0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.413 5.943 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.387 4.729 0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.793 5.447 3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.773 4.223 2.730 1.00 0.00 H new ATOM 0 HH TYR A 79 6.307 3.899 4.958 1.00 0.00 H new ATOM 1255 N CYS A 80 3.660 5.623 -2.749 1.00 0.00 N ATOM 1256 CA CYS A 80 2.975 6.245 -3.828 1.00 0.00 C ATOM 1257 C CYS A 80 2.912 7.722 -3.564 1.00 0.00 C ATOM 1258 O CYS A 80 2.538 8.152 -2.460 1.00 0.00 O ATOM 1259 CB CYS A 80 1.589 5.630 -3.981 1.00 0.00 C ATOM 1260 SG CYS A 80 1.612 3.950 -4.673 1.00 0.00 S ATOM 0 H CYS A 80 3.121 5.581 -1.884 1.00 0.00 H new ATOM 0 HA CYS A 80 3.504 6.085 -4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.102 5.606 -3.006 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.985 6.271 -4.624 1.00 0.00 H new ATOM 1265 N ASP A 81 3.287 8.515 -4.537 1.00 0.00 N ATOM 1266 CA ASP A 81 3.328 9.938 -4.325 1.00 0.00 C ATOM 1267 C ASP A 81 1.985 10.525 -4.639 1.00 0.00 C ATOM 1268 O ASP A 81 1.667 10.863 -5.781 1.00 0.00 O ATOM 1269 CB ASP A 81 4.435 10.618 -5.141 1.00 0.00 C ATOM 1270 CG ASP A 81 4.623 12.078 -4.764 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.295 12.354 -3.748 1.00 0.00 O ATOM 1272 OD2 ASP A 81 4.133 12.970 -5.478 1.00 0.00 O ATOM 0 H ASP A 81 3.564 8.205 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 81 3.567 10.119 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.373 10.084 -4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.195 10.548 -6.202 1.00 0.00 H new ATOM 1277 N ILE A 82 1.165 10.526 -3.641 1.00 0.00 N ATOM 1278 CA ILE A 82 -0.150 11.055 -3.727 1.00 0.00 C ATOM 1279 C ILE A 82 -0.100 12.514 -3.371 1.00 0.00 C ATOM 1280 O ILE A 82 0.675 12.899 -2.478 1.00 0.00 O ATOM 1281 CB ILE A 82 -1.069 10.332 -2.710 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -1.002 8.818 -2.930 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.521 10.843 -2.767 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.453 8.350 -4.294 1.00 0.00 C ATOM 0 H ILE A 82 1.399 10.149 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.538 10.915 -4.736 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.703 10.560 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.025 8.488 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.615 8.329 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.125 10.305 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.541 11.909 -2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.926 10.677 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.369 7.265 -4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.491 8.643 -4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.825 8.804 -5.061 1.00 0.00 H new ATOM 1494 N ALA B 108 -4.737 -4.791 13.738 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.599 -5.493 14.294 1.00 0.00 C ATOM 1496 C ALA B 108 -2.909 -6.324 13.238 1.00 0.00 C ATOM 1497 O ALA B 108 -1.671 -6.409 13.207 1.00 0.00 O ATOM 1498 CB ALA B 108 -4.015 -6.351 15.451 1.00 0.00 C ATOM 0 HA ALA B 108 -2.891 -4.748 14.658 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -3.144 -6.868 15.852 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.455 -5.726 16.228 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.749 -7.083 15.115 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.697 -6.935 12.366 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.144 -7.703 11.275 1.00 0.00 C ATOM 1506 C GLU B 109 -2.410 -6.763 10.337 1.00 0.00 C ATOM 1507 O GLU B 109 -1.271 -7.030 9.934 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.226 -8.476 10.525 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.661 -9.298 9.379 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.661 -10.197 8.742 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -5.781 -9.782 8.483 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -4.341 -11.371 8.487 1.00 0.00 O ATOM 0 H GLU B 109 -4.716 -6.911 12.397 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.450 -8.440 11.679 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.746 -9.136 11.220 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -4.966 -7.776 10.136 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.257 -8.624 8.624 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -2.829 -9.897 9.748 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.061 -5.648 10.040 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.516 -4.576 9.237 1.00 0.00 C ATOM 1521 C LEU B 110 -1.186 -4.116 9.784 1.00 0.00 C ATOM 1522 O LEU B 110 -0.234 -4.038 9.057 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.516 -3.408 9.166 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.695 -3.579 8.201 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -5.695 -2.455 8.378 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.207 -3.608 6.759 1.00 0.00 C ATOM 0 H LEU B 110 -4.011 -5.464 10.363 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.347 -4.949 8.227 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.915 -3.238 10.166 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -2.971 -2.508 8.883 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.183 -4.527 8.429 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.525 -2.594 7.685 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.072 -2.461 9.401 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.209 -1.500 8.176 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -5.058 -3.730 6.089 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.695 -2.673 6.529 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.517 -4.441 6.625 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.130 -3.881 11.083 1.00 0.00 N ATOM 1539 CA GLN B 111 0.085 -3.441 11.761 1.00 0.00 C ATOM 1540 C GLN B 111 1.208 -4.459 11.601 1.00 0.00 C ATOM 1541 O GLN B 111 2.349 -4.097 11.339 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.192 -3.234 13.233 1.00 0.00 C ATOM 1543 CG GLN B 111 0.928 -2.545 13.971 1.00 0.00 C ATOM 1544 CD GLN B 111 1.198 -1.135 13.482 1.00 0.00 C ATOM 1545 OE1 GLN B 111 0.305 -0.438 13.011 1.00 0.00 O ATOM 1546 NE2 GLN B 111 2.426 -0.705 13.585 1.00 0.00 N ATOM 0 H GLN B 111 -1.931 -3.990 11.705 1.00 0.00 H new ATOM 0 HA GLN B 111 0.400 -2.502 11.305 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.103 -2.646 13.343 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -0.380 -4.202 13.698 1.00 0.00 H new ATOM 0 HG2 GLN B 111 0.686 -2.512 15.033 1.00 0.00 H new ATOM 0 HG3 GLN B 111 1.838 -3.137 13.869 1.00 0.00 H new ATOM 0 HE21 GLN B 111 3.146 -1.309 13.981 1.00 0.00 H new ATOM 0 HE22 GLN B 111 2.665 0.235 13.269 1.00 0.00 H new ATOM 1555 N ARG B 112 0.867 -5.721 11.725 1.00 0.00 N ATOM 1556 CA ARG B 112 1.835 -6.804 11.631 1.00 0.00 C ATOM 1557 C ARG B 112 2.353 -6.911 10.211 1.00 0.00 C ATOM 1558 O ARG B 112 3.547 -7.059 9.992 1.00 0.00 O ATOM 1559 CB ARG B 112 1.169 -8.109 12.066 1.00 0.00 C ATOM 1560 CG ARG B 112 2.113 -9.253 12.404 1.00 0.00 C ATOM 1561 CD ARG B 112 2.681 -9.888 11.170 1.00 0.00 C ATOM 1562 NE ARG B 112 3.698 -10.894 11.457 1.00 0.00 N ATOM 1563 CZ ARG B 112 4.978 -10.820 11.065 1.00 0.00 C ATOM 1564 NH1 ARG B 112 5.436 -9.722 10.474 1.00 0.00 N ATOM 1565 NH2 ARG B 112 5.798 -11.835 11.293 1.00 0.00 N ATOM 0 H ARG B 112 -0.089 -6.032 11.894 1.00 0.00 H new ATOM 0 HA ARG B 112 2.682 -6.603 12.287 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.548 -7.905 12.939 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.501 -8.437 11.270 1.00 0.00 H new ATOM 0 HG2 ARG B 112 2.925 -8.882 13.029 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.580 -10.004 12.987 1.00 0.00 H new ATOM 0 HD2 ARG B 112 1.873 -10.349 10.602 1.00 0.00 H new ATOM 0 HD3 ARG B 112 3.114 -9.113 10.537 1.00 0.00 H new ATOM 0 HE ARG B 112 3.415 -11.713 11.995 1.00 0.00 H new ATOM 0 HH11 ARG B 112 4.813 -8.930 10.316 1.00 0.00 H new ATOM 0 HH12 ARG B 112 6.411 -9.671 10.178 1.00 0.00 H new ATOM 0 HH21 ARG B 112 5.455 -12.671 11.766 1.00 0.00 H new ATOM 0 HH22 ARG B 112 6.772 -11.780 10.995 1.00 0.00 H new ATOM 1579 N LEU B 113 1.455 -6.859 9.266 1.00 0.00 N ATOM 1580 CA LEU B 113 1.829 -6.927 7.853 1.00 0.00 C ATOM 1581 C LEU B 113 2.623 -5.682 7.479 1.00 0.00 C ATOM 1582 O LEU B 113 3.567 -5.734 6.696 1.00 0.00 O ATOM 1583 CB LEU B 113 0.586 -7.042 6.960 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.328 -8.249 7.194 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.531 -8.192 6.269 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.428 -9.548 6.995 1.00 0.00 C ATOM 0 H LEU B 113 0.453 -6.770 9.435 1.00 0.00 H new ATOM 0 HA LEU B 113 2.442 -7.815 7.697 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.008 -6.137 7.088 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.916 -7.063 5.921 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.678 -8.213 8.226 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.169 -9.057 6.449 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.094 -7.279 6.461 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.194 -8.199 5.233 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.243 -10.390 7.167 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.812 -9.593 5.976 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.259 -9.597 7.699 1.00 0.00 H new ATOM 1598 N LYS B 114 2.254 -4.579 8.085 1.00 0.00 N ATOM 1599 CA LYS B 114 2.885 -3.313 7.862 1.00 0.00 C ATOM 1600 C LYS B 114 4.300 -3.342 8.390 1.00 0.00 C ATOM 1601 O LYS B 114 5.232 -2.931 7.711 1.00 0.00 O ATOM 1602 CB LYS B 114 2.088 -2.246 8.576 1.00 0.00 C ATOM 1603 CG LYS B 114 2.431 -0.848 8.192 1.00 0.00 C ATOM 1604 CD LYS B 114 1.461 0.118 8.792 1.00 0.00 C ATOM 1605 CE LYS B 114 1.706 0.358 10.259 1.00 0.00 C ATOM 1606 NZ LYS B 114 0.715 1.293 10.818 1.00 0.00 N ATOM 0 H LYS B 114 1.490 -4.542 8.760 1.00 0.00 H new ATOM 0 HA LYS B 114 2.919 -3.098 6.794 1.00 0.00 H new ATOM 0 HB2 LYS B 114 1.029 -2.412 8.381 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.236 -2.360 9.650 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.441 -0.611 8.526 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.423 -0.752 7.106 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.523 1.066 8.258 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.448 -0.259 8.655 1.00 0.00 H new ATOM 0 HE2 LYS B 114 1.661 -0.589 10.798 1.00 0.00 H new ATOM 0 HE3 LYS B 114 2.709 0.759 10.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 0.682 1.186 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 0.985 2.269 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 -0.222 1.085 10.418 1.00 0.00 H new ATOM 1620 N ASN B 115 4.450 -3.845 9.599 1.00 0.00 N ATOM 1621 CA ASN B 115 5.751 -3.949 10.259 1.00 0.00 C ATOM 1622 C ASN B 115 6.603 -4.932 9.497 1.00 0.00 C ATOM 1623 O ASN B 115 7.795 -4.736 9.336 1.00 0.00 O ATOM 1624 CB ASN B 115 5.567 -4.299 11.789 1.00 0.00 C ATOM 1625 CG ASN B 115 5.376 -5.772 12.225 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.953 -6.712 11.679 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.538 -5.972 13.225 1.00 0.00 N ATOM 0 H ASN B 115 3.674 -4.197 10.160 1.00 0.00 H new ATOM 0 HA ASN B 115 6.276 -2.994 10.245 1.00 0.00 H new ATOM 0 HB2 ASN B 115 6.439 -3.914 12.317 1.00 0.00 H new ATOM 0 HB3 ASN B 115 4.704 -3.739 12.149 1.00 0.00 H new ATOM 0 HD21 ASN B 115 4.359 -6.919 13.559 1.00 0.00 H new ATOM 0 HD22 ASN B 115 4.070 -5.179 13.664 1.00 0.00 H new ATOM 1634 N GLU B 116 5.939 -5.937 8.955 1.00 0.00 N ATOM 1635 CA GLU B 116 6.565 -6.930 8.099 1.00 0.00 C ATOM 1636 C GLU B 116 7.160 -6.244 6.909 1.00 0.00 C ATOM 1637 O GLU B 116 8.349 -6.285 6.709 1.00 0.00 O ATOM 1638 CB GLU B 116 5.548 -7.975 7.633 1.00 0.00 C ATOM 1639 CG GLU B 116 6.126 -8.985 6.670 1.00 0.00 C ATOM 1640 CD GLU B 116 5.162 -10.070 6.288 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.841 -10.916 7.143 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.738 -10.131 5.105 1.00 0.00 O ATOM 0 H GLU B 116 4.940 -6.089 9.098 1.00 0.00 H new ATOM 0 HA GLU B 116 7.342 -7.441 8.667 1.00 0.00 H new ATOM 0 HB2 GLU B 116 5.151 -8.499 8.503 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.709 -7.468 7.156 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.455 -8.468 5.768 1.00 0.00 H new ATOM 0 HG3 GLU B 116 7.010 -9.437 7.118 1.00 0.00 H new ATOM 1649 N ARG B 117 6.310 -5.594 6.148 1.00 0.00 N ATOM 1650 CA ARG B 117 6.721 -4.827 4.971 1.00 0.00 C ATOM 1651 C ARG B 117 7.818 -3.840 5.297 1.00 0.00 C ATOM 1652 O ARG B 117 8.720 -3.620 4.486 1.00 0.00 O ATOM 1653 CB ARG B 117 5.596 -4.017 4.397 1.00 0.00 C ATOM 1654 CG ARG B 117 4.435 -4.759 3.815 1.00 0.00 C ATOM 1655 CD ARG B 117 3.527 -3.757 3.135 1.00 0.00 C ATOM 1656 NE ARG B 117 3.038 -2.720 4.064 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.397 -1.423 4.093 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.410 -0.966 3.379 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.733 -0.589 4.823 1.00 0.00 N ATOM 0 H ARG B 117 5.305 -5.576 6.320 1.00 0.00 H new ATOM 0 HA ARG B 117 7.062 -5.577 4.257 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.217 -3.364 5.183 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.008 -3.374 3.619 1.00 0.00 H new ATOM 0 HG2 ARG B 117 4.781 -5.505 3.100 1.00 0.00 H new ATOM 0 HG3 ARG B 117 3.894 -5.293 4.597 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.065 -3.282 2.315 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.676 -4.280 2.698 1.00 0.00 H new ATOM 0 HE ARG B 117 2.354 -3.018 4.759 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.943 -1.601 2.785 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.659 0.022 3.421 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.939 -0.914 5.375 1.00 0.00 H new ATOM 0 HH22 ARG B 117 3.002 0.394 4.847 1.00 0.00 H new ATOM 1673 N HIS B 118 7.700 -3.208 6.447 1.00 0.00 N ATOM 1674 CA HIS B 118 8.666 -2.240 6.896 1.00 0.00 C ATOM 1675 C HIS B 118 10.016 -2.894 7.120 1.00 0.00 C ATOM 1676 O HIS B 118 11.039 -2.369 6.672 1.00 0.00 O ATOM 1677 CB HIS B 118 8.152 -1.450 8.121 1.00 0.00 C ATOM 1678 CG HIS B 118 7.114 -0.383 7.815 1.00 0.00 C ATOM 1679 ND1 HIS B 118 5.955 -0.241 8.530 1.00 0.00 N ATOM 1680 CD2 HIS B 118 7.060 0.595 6.861 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.253 0.749 8.023 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.901 1.264 7.025 1.00 0.00 N ATOM 0 H HIS B 118 6.926 -3.356 7.095 1.00 0.00 H new ATOM 0 HA HIS B 118 8.808 -1.499 6.110 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.725 -2.155 8.835 1.00 0.00 H new ATOM 0 HB3 HIS B 118 9.003 -0.976 8.611 1.00 0.00 H new ATOM 0 HD1 HIS B 118 5.680 -0.812 9.329 1.00 0.00 H new ATOM 0 HD2 HIS B 118 7.811 0.796 6.111 1.00 0.00 H new ATOM 0 HE1 HIS B 118 4.290 1.080 8.381 1.00 0.00 H new ATOM 1691 N GLU B 119 10.010 -4.047 7.759 1.00 0.00 N ATOM 1692 CA GLU B 119 11.204 -4.834 7.914 1.00 0.00 C ATOM 1693 C GLU B 119 11.712 -5.321 6.577 1.00 0.00 C ATOM 1694 O GLU B 119 12.852 -5.108 6.256 1.00 0.00 O ATOM 1695 CB GLU B 119 10.974 -6.003 8.851 1.00 0.00 C ATOM 1696 CG GLU B 119 11.482 -5.750 10.246 1.00 0.00 C ATOM 1697 CD GLU B 119 10.879 -4.550 10.918 1.00 0.00 C ATOM 1698 OE1 GLU B 119 9.761 -4.651 11.470 1.00 0.00 O ATOM 1699 OE2 GLU B 119 11.535 -3.503 10.959 1.00 0.00 O ATOM 0 H GLU B 119 9.178 -4.458 8.182 1.00 0.00 H new ATOM 0 HA GLU B 119 11.965 -4.190 8.355 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.907 -6.223 8.893 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.466 -6.888 8.446 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.284 -6.631 10.857 1.00 0.00 H new ATOM 0 HG3 GLU B 119 12.564 -5.625 10.208 1.00 0.00 H new ATOM 1706 N GLU B 120 10.834 -5.936 5.801 1.00 0.00 N ATOM 1707 CA GLU B 120 11.138 -6.471 4.469 1.00 0.00 C ATOM 1708 C GLU B 120 11.832 -5.462 3.572 1.00 0.00 C ATOM 1709 O GLU B 120 12.762 -5.809 2.852 1.00 0.00 O ATOM 1710 CB GLU B 120 9.871 -6.969 3.771 1.00 0.00 C ATOM 1711 CG GLU B 120 9.237 -8.199 4.401 1.00 0.00 C ATOM 1712 CD GLU B 120 10.159 -9.389 4.403 1.00 0.00 C ATOM 1713 OE1 GLU B 120 10.194 -10.137 3.400 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.851 -9.619 5.392 1.00 0.00 O ATOM 0 H GLU B 120 9.864 -6.084 6.080 1.00 0.00 H new ATOM 0 HA GLU B 120 11.822 -7.304 4.634 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.137 -6.163 3.763 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.110 -7.193 2.731 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.945 -7.968 5.426 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.325 -8.451 3.859 1.00 0.00 H new ATOM 1721 N ALA B 121 11.390 -4.224 3.612 1.00 0.00 N ATOM 1722 CA ALA B 121 11.993 -3.192 2.788 1.00 0.00 C ATOM 1723 C ALA B 121 13.414 -2.898 3.237 1.00 0.00 C ATOM 1724 O ALA B 121 14.334 -2.785 2.408 1.00 0.00 O ATOM 1725 CB ALA B 121 11.152 -1.930 2.780 1.00 0.00 C ATOM 0 H ALA B 121 10.621 -3.906 4.201 1.00 0.00 H new ATOM 0 HA ALA B 121 12.034 -3.567 1.765 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.631 -1.177 2.154 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.162 -2.155 2.383 1.00 0.00 H new ATOM 0 HB3 ALA B 121 11.057 -1.549 3.797 1.00 0.00 H new