USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=20 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= -1.15 K(o=-1.1,f=-5.2!) USER MOD Set 1.2: B 114 LYS NZ :NH3+ -115:sc= 0.0864 (180deg=0) USER MOD Set 1.3: B 115 ASN :FLIP amide:sc= 0 F(o=-1.8,f=-1.1) USER MOD Set 2.1: A 79 TYR OH : rot 3:sc= 1.32 USER MOD Set 2.2: B 118 HIS : no HD1:sc= -1.03 K(o=0.29,f=-4.3!) USER MOD Set 3.1: A 30 GLN : amide:sc= 1.58 K(o=0.76,f=-8.4!) USER MOD Set 3.2: A 38 HIS : no HE2:sc= -0.823 K(o=0.76,f=-0.58) USER MOD Set 4.1: A 23 THR OG1 : rot 107:sc= 0.257 USER MOD Set 4.2: A 25 SER OG : rot -132:sc= 0.443 USER MOD Single : A 15 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.23) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 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 24 MET CE :methyl -156:sc= 0 (180deg=-0.247) USER MOD Single : A 34 SER OG : rot -100:sc= 0.0519 USER MOD Single : A 35 GLN : amide:sc= 0.192 X(o=0.19,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : +bothHN:sc= -2.66! C(o=-2.7!,f=-3.5!) USER MOD Single : A 42 TYR OH : rot -175:sc= 2.23 USER MOD Single : A 45 SER OG : rot 180:sc= -0.38 USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0.917 (180deg=0.704) USER MOD Single : A 49 ASN : amide:sc= -0.0223 K(o=-0.022,f=-2.4!) USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= 2.31 (180deg=1.74) USER MOD Single : A 51 ASN : amide:sc= -0.216 K(o=-0.22,f=-0.8) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.934! C(o=-0.93!,f=-4.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.823 K(o=0.82,f=-8.3!) USER MOD Single : A 70 THR OG1 : rot 85:sc= 0.939 USER MOD Single : A 71 THR OG1 : rot -84:sc= 0.894 USER MOD Single : A 74 ASN : amide:sc=-0.00155 X(o=-0.0015,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 1.08 (180deg=0.994) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -3.745 8.996 4.284 1.00 0.00 N ATOM 180 CA GLY A 13 -3.868 8.149 3.137 1.00 0.00 C ATOM 181 C GLY A 13 -5.024 7.192 3.167 1.00 0.00 C ATOM 182 O GLY A 13 -5.479 6.767 2.116 1.00 0.00 O ATOM 0 HA2 GLY A 13 -3.960 8.777 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.947 7.577 3.028 1.00 0.00 H new ATOM 186 N GLU A 14 -5.498 6.845 4.348 1.00 0.00 N ATOM 187 CA GLU A 14 -6.642 5.915 4.476 1.00 0.00 C ATOM 188 C GLU A 14 -7.904 6.448 3.771 1.00 0.00 C ATOM 189 O GLU A 14 -8.769 5.679 3.353 1.00 0.00 O ATOM 190 CB GLU A 14 -6.992 5.636 5.934 1.00 0.00 C ATOM 191 CG GLU A 14 -5.922 4.965 6.754 1.00 0.00 C ATOM 192 CD GLU A 14 -6.436 4.611 8.118 1.00 0.00 C ATOM 193 OE1 GLU A 14 -6.336 5.434 9.033 1.00 0.00 O ATOM 194 OE2 GLU A 14 -6.981 3.501 8.298 1.00 0.00 O ATOM 0 H GLU A 14 -5.124 7.181 5.235 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.320 4.991 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.249 6.581 6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.886 5.012 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.579 4.064 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.060 5.626 6.846 1.00 0.00 H new ATOM 201 N ASN A 15 -8.002 7.766 3.669 1.00 0.00 N ATOM 202 CA ASN A 15 -9.145 8.423 3.032 1.00 0.00 C ATOM 203 C ASN A 15 -8.885 8.641 1.526 1.00 0.00 C ATOM 204 O ASN A 15 -9.743 9.122 0.794 1.00 0.00 O ATOM 205 CB ASN A 15 -9.419 9.765 3.761 1.00 0.00 C ATOM 206 CG ASN A 15 -10.572 10.599 3.204 1.00 0.00 C ATOM 207 OD1 ASN A 15 -10.380 11.440 2.322 1.00 0.00 O ATOM 208 ND2 ASN A 15 -11.737 10.437 3.749 1.00 0.00 N ATOM 0 H ASN A 15 -7.296 8.412 4.023 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.026 7.787 3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.623 9.552 4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.511 10.367 3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.524 11.013 3.451 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.866 9.734 4.476 1.00 0.00 H new ATOM 215 N TYR A 16 -7.721 8.242 1.057 1.00 0.00 N ATOM 216 CA TYR A 16 -7.368 8.473 -0.328 1.00 0.00 C ATOM 217 C TYR A 16 -7.950 7.395 -1.228 1.00 0.00 C ATOM 218 O TYR A 16 -7.485 6.257 -1.230 1.00 0.00 O ATOM 219 CB TYR A 16 -5.840 8.574 -0.527 1.00 0.00 C ATOM 220 CG TYR A 16 -5.446 8.811 -1.971 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.645 10.043 -2.551 1.00 0.00 C ATOM 222 CD2 TYR A 16 -4.919 7.790 -2.760 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.331 10.278 -3.868 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.601 8.005 -4.088 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.813 9.269 -4.639 1.00 0.00 C ATOM 226 OH TYR A 16 -4.514 9.525 -5.963 1.00 0.00 O ATOM 0 H TYR A 16 -7.010 7.761 1.608 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.801 9.433 -0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.452 9.386 0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.372 7.655 -0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.058 10.845 -1.957 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.756 6.814 -2.326 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.492 11.257 -4.296 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.194 7.206 -4.690 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.266 10.468 -6.066 1.00 0.00 H new ATOM 236 N ASP A 17 -8.957 7.754 -1.988 1.00 0.00 N ATOM 237 CA ASP A 17 -9.564 6.814 -2.909 1.00 0.00 C ATOM 238 C ASP A 17 -9.316 7.246 -4.348 1.00 0.00 C ATOM 239 O ASP A 17 -10.032 6.859 -5.261 1.00 0.00 O ATOM 240 CB ASP A 17 -11.068 6.613 -2.625 1.00 0.00 C ATOM 241 CG ASP A 17 -11.997 7.738 -3.063 1.00 0.00 C ATOM 242 OD1 ASP A 17 -12.078 8.767 -2.371 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.732 7.553 -4.062 1.00 0.00 O ATOM 0 H ASP A 17 -9.374 8.685 -1.990 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.090 5.844 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.389 5.694 -3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.196 6.462 -1.553 1.00 0.00 H new ATOM 248 N GLY A 18 -8.233 7.978 -4.541 1.00 0.00 N ATOM 249 CA GLY A 18 -7.840 8.433 -5.866 1.00 0.00 C ATOM 250 C GLY A 18 -7.382 7.277 -6.755 1.00 0.00 C ATOM 251 O GLY A 18 -7.127 6.173 -6.269 1.00 0.00 O ATOM 0 H GLY A 18 -7.606 8.272 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.680 8.943 -6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.035 9.162 -5.775 1.00 0.00 H new ATOM 255 N LYS A 19 -7.218 7.535 -8.016 1.00 0.00 N ATOM 256 CA LYS A 19 -6.949 6.470 -8.984 1.00 0.00 C ATOM 257 C LYS A 19 -5.489 6.443 -9.471 1.00 0.00 C ATOM 258 O LYS A 19 -5.210 6.013 -10.591 1.00 0.00 O ATOM 259 CB LYS A 19 -7.947 6.525 -10.193 1.00 0.00 C ATOM 260 CG LYS A 19 -7.774 7.678 -11.205 1.00 0.00 C ATOM 261 CD LYS A 19 -7.955 9.044 -10.579 1.00 0.00 C ATOM 262 CE LYS A 19 -7.741 10.156 -11.563 1.00 0.00 C ATOM 263 NZ LYS A 19 -7.757 11.461 -10.886 1.00 0.00 N ATOM 0 H LYS A 19 -7.262 8.471 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.110 5.534 -8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.868 5.584 -10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.959 6.578 -9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.781 7.617 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.495 7.556 -12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.959 9.120 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.256 9.156 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.788 10.018 -12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.519 10.127 -12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.607 12.216 -11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.676 11.599 -10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.999 11.492 -10.175 1.00 0.00 H new ATOM 277 N ILE A 20 -4.562 6.856 -8.630 1.00 0.00 N ATOM 278 CA ILE A 20 -3.156 6.781 -8.994 1.00 0.00 C ATOM 279 C ILE A 20 -2.706 5.319 -8.877 1.00 0.00 C ATOM 280 O ILE A 20 -3.095 4.619 -7.929 1.00 0.00 O ATOM 281 CB ILE A 20 -2.260 7.707 -8.107 1.00 0.00 C ATOM 282 CG1 ILE A 20 -0.827 7.776 -8.655 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.257 7.234 -6.672 1.00 0.00 C ATOM 284 CD1 ILE A 20 0.095 8.716 -7.894 1.00 0.00 C ATOM 0 H ILE A 20 -4.749 7.241 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.041 7.136 -10.018 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.683 8.711 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.397 6.774 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.865 8.090 -9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.628 7.892 -6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.274 7.250 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.867 6.217 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.085 8.702 -8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.307 9.729 -7.931 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.168 8.392 -6.856 1.00 0.00 H new ATOM 296 N SER A 21 -1.959 4.853 -9.835 1.00 0.00 N ATOM 297 CA SER A 21 -1.532 3.487 -9.834 1.00 0.00 C ATOM 298 C SER A 21 -0.036 3.351 -10.110 1.00 0.00 C ATOM 299 O SER A 21 0.458 2.269 -10.476 1.00 0.00 O ATOM 300 CB SER A 21 -2.366 2.729 -10.839 1.00 0.00 C ATOM 301 OG SER A 21 -2.424 3.411 -12.087 1.00 0.00 O ATOM 0 H SER A 21 -1.632 5.403 -10.630 1.00 0.00 H new ATOM 0 HA SER A 21 -1.683 3.061 -8.842 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.946 1.734 -10.986 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.375 2.595 -10.449 1.00 0.00 H new ATOM 0 HG SER A 21 -2.969 2.895 -12.717 1.00 0.00 H new ATOM 307 N LYS A 22 0.681 4.427 -9.920 1.00 0.00 N ATOM 308 CA LYS A 22 2.118 4.415 -10.085 1.00 0.00 C ATOM 309 C LYS A 22 2.774 4.849 -8.798 1.00 0.00 C ATOM 310 O LYS A 22 2.259 5.729 -8.117 1.00 0.00 O ATOM 311 CB LYS A 22 2.572 5.299 -11.242 1.00 0.00 C ATOM 312 CG LYS A 22 2.049 4.887 -12.597 1.00 0.00 C ATOM 313 CD LYS A 22 2.622 5.772 -13.681 1.00 0.00 C ATOM 314 CE LYS A 22 1.995 5.473 -15.024 1.00 0.00 C ATOM 315 NZ LYS A 22 2.589 6.271 -16.115 1.00 0.00 N ATOM 0 H LYS A 22 0.294 5.331 -9.649 1.00 0.00 H new ATOM 0 HA LYS A 22 2.421 3.397 -10.328 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.258 6.324 -11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.662 5.300 -11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.311 3.847 -12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.961 4.949 -12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.456 6.818 -13.425 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.701 5.626 -13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.112 4.413 -15.248 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.924 5.672 -14.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.125 6.029 -17.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.455 7.283 -15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.606 6.063 -16.183 1.00 0.00 H new ATOM 329 N THR A 23 3.918 4.277 -8.494 1.00 0.00 N ATOM 330 CA THR A 23 4.573 4.496 -7.221 1.00 0.00 C ATOM 331 C THR A 23 5.396 5.806 -7.254 1.00 0.00 C ATOM 332 O THR A 23 5.254 6.599 -8.195 1.00 0.00 O ATOM 333 CB THR A 23 5.449 3.268 -6.915 1.00 0.00 C ATOM 334 OG1 THR A 23 6.371 3.078 -7.990 1.00 0.00 O ATOM 335 CG2 THR A 23 4.588 2.014 -6.762 1.00 0.00 C ATOM 0 H THR A 23 4.421 3.648 -9.120 1.00 0.00 H new ATOM 0 HA THR A 23 3.837 4.612 -6.425 1.00 0.00 H new ATOM 0 HB THR A 23 5.984 3.439 -5.981 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.270 3.337 -7.699 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.227 1.158 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.882 2.155 -5.944 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.040 1.834 -7.687 1.00 0.00 H new ATOM 343 N MET A 24 6.247 6.041 -6.260 1.00 0.00 N ATOM 344 CA MET A 24 7.030 7.266 -6.206 1.00 0.00 C ATOM 345 C MET A 24 8.047 7.333 -7.354 1.00 0.00 C ATOM 346 O MET A 24 8.435 8.421 -7.789 1.00 0.00 O ATOM 347 CB MET A 24 7.692 7.464 -4.811 1.00 0.00 C ATOM 348 CG MET A 24 8.805 6.479 -4.401 1.00 0.00 C ATOM 349 SD MET A 24 10.395 6.752 -5.243 1.00 0.00 S ATOM 350 CE MET A 24 11.400 5.453 -4.518 1.00 0.00 C ATOM 0 H MET A 24 6.410 5.400 -5.484 1.00 0.00 H new ATOM 0 HA MET A 24 6.345 8.103 -6.345 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.106 8.472 -4.776 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.907 7.416 -4.057 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.960 6.552 -3.325 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.468 5.463 -4.606 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.453 5.728 -4.583 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.124 5.320 -3.472 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.234 4.521 -5.058 1.00 0.00 H new ATOM 360 N SER A 25 8.466 6.182 -7.842 1.00 0.00 N ATOM 361 CA SER A 25 9.352 6.116 -8.959 1.00 0.00 C ATOM 362 C SER A 25 8.550 6.047 -10.254 1.00 0.00 C ATOM 363 O SER A 25 9.094 6.145 -11.354 1.00 0.00 O ATOM 364 CB SER A 25 10.263 4.907 -8.818 1.00 0.00 C ATOM 365 OG SER A 25 9.503 3.722 -8.683 1.00 0.00 O ATOM 0 H SER A 25 8.195 5.273 -7.467 1.00 0.00 H new ATOM 0 HA SER A 25 9.970 7.013 -8.988 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.913 4.831 -9.690 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.909 5.032 -7.949 1.00 0.00 H new ATOM 0 HG SER A 25 9.849 3.195 -7.933 1.00 0.00 H new ATOM 371 N GLY A 26 7.255 5.880 -10.109 1.00 0.00 N ATOM 372 CA GLY A 26 6.385 5.792 -11.233 1.00 0.00 C ATOM 373 C GLY A 26 6.262 4.389 -11.756 1.00 0.00 C ATOM 374 O GLY A 26 5.887 4.183 -12.916 1.00 0.00 O ATOM 0 H GLY A 26 6.787 5.803 -9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.398 6.160 -10.954 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.755 6.441 -12.027 1.00 0.00 H new ATOM 378 N LEU A 27 6.584 3.422 -10.923 1.00 0.00 N ATOM 379 CA LEU A 27 6.432 2.038 -11.287 1.00 0.00 C ATOM 380 C LEU A 27 4.973 1.679 -11.248 1.00 0.00 C ATOM 381 O LEU A 27 4.179 2.358 -10.605 1.00 0.00 O ATOM 382 CB LEU A 27 7.212 1.133 -10.347 1.00 0.00 C ATOM 383 CG LEU A 27 8.745 1.179 -10.451 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.385 0.359 -9.342 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.196 0.648 -11.798 1.00 0.00 C ATOM 0 H LEU A 27 6.954 3.575 -9.985 1.00 0.00 H new ATOM 0 HA LEU A 27 6.827 1.895 -12.293 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.934 1.386 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.891 0.106 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 27 9.060 2.217 -10.348 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.470 0.406 -9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.086 0.761 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.058 -0.678 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.284 0.686 -11.859 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.862 -0.383 -11.913 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.767 1.259 -12.592 1.00 0.00 H new ATOM 397 N GLU A 28 4.633 0.629 -11.900 1.00 0.00 N ATOM 398 CA GLU A 28 3.261 0.225 -12.008 1.00 0.00 C ATOM 399 C GLU A 28 2.869 -0.599 -10.801 1.00 0.00 C ATOM 400 O GLU A 28 3.548 -1.582 -10.459 1.00 0.00 O ATOM 401 CB GLU A 28 3.044 -0.569 -13.291 1.00 0.00 C ATOM 402 CG GLU A 28 1.616 -1.019 -13.492 1.00 0.00 C ATOM 403 CD GLU A 28 1.432 -1.797 -14.752 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.625 -3.030 -14.742 1.00 0.00 O ATOM 405 OE2 GLU A 28 1.035 -1.203 -15.775 1.00 0.00 O ATOM 0 H GLU A 28 5.293 0.016 -12.379 1.00 0.00 H new ATOM 0 HA GLU A 28 2.631 1.114 -12.044 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.346 0.042 -14.142 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.693 -1.444 -13.280 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.309 -1.630 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.963 -0.146 -13.509 1.00 0.00 H new ATOM 412 N CYS A 29 1.815 -0.203 -10.154 1.00 0.00 N ATOM 413 CA CYS A 29 1.338 -0.917 -9.014 1.00 0.00 C ATOM 414 C CYS A 29 0.614 -2.185 -9.397 1.00 0.00 C ATOM 415 O CYS A 29 -0.046 -2.268 -10.449 1.00 0.00 O ATOM 416 CB CYS A 29 0.467 -0.046 -8.120 1.00 0.00 C ATOM 417 SG CYS A 29 -0.320 -0.930 -6.725 1.00 0.00 S ATOM 0 H CYS A 29 1.265 0.620 -10.401 1.00 0.00 H new ATOM 0 HA CYS A 29 2.221 -1.203 -8.442 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.076 0.765 -7.721 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.313 0.411 -8.729 1.00 0.00 H new ATOM 422 N GLN A 30 0.774 -3.153 -8.550 1.00 0.00 N ATOM 423 CA GLN A 30 0.143 -4.437 -8.648 1.00 0.00 C ATOM 424 C GLN A 30 -1.173 -4.369 -7.901 1.00 0.00 C ATOM 425 O GLN A 30 -1.212 -3.906 -6.763 1.00 0.00 O ATOM 426 CB GLN A 30 1.043 -5.521 -8.026 1.00 0.00 C ATOM 427 CG GLN A 30 0.383 -6.895 -7.935 1.00 0.00 C ATOM 428 CD GLN A 30 1.213 -7.922 -7.192 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.448 -7.895 -7.199 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.545 -8.840 -6.541 1.00 0.00 N ATOM 0 H GLN A 30 1.376 -3.068 -7.731 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.026 -4.693 -9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.955 -5.605 -8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.339 -5.204 -7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.582 -6.793 -7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.185 -7.261 -8.943 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.475 -8.835 -6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.044 -9.561 -6.020 1.00 0.00 H new ATOM 439 N ALA A 31 -2.227 -4.821 -8.537 1.00 0.00 N ATOM 440 CA ALA A 31 -3.551 -4.797 -7.967 1.00 0.00 C ATOM 441 C ALA A 31 -3.620 -5.551 -6.649 1.00 0.00 C ATOM 442 O ALA A 31 -3.085 -6.652 -6.521 1.00 0.00 O ATOM 443 CB ALA A 31 -4.544 -5.377 -8.952 1.00 0.00 C ATOM 0 H ALA A 31 -2.188 -5.220 -9.475 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.803 -3.757 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.543 -5.357 -8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.535 -4.786 -9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.269 -6.407 -9.182 1.00 0.00 H new ATOM 449 N TRP A 32 -4.302 -4.952 -5.687 1.00 0.00 N ATOM 450 CA TRP A 32 -4.468 -5.492 -4.351 1.00 0.00 C ATOM 451 C TRP A 32 -5.151 -6.852 -4.406 1.00 0.00 C ATOM 452 O TRP A 32 -4.818 -7.776 -3.635 1.00 0.00 O ATOM 453 CB TRP A 32 -5.314 -4.536 -3.497 1.00 0.00 C ATOM 454 CG TRP A 32 -4.742 -3.155 -3.353 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.152 -2.028 -4.000 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.662 -2.756 -2.510 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.397 -0.961 -3.613 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.468 -1.378 -2.707 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.836 -3.427 -1.613 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.482 -0.661 -2.040 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.863 -2.712 -0.952 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.692 -1.342 -1.170 1.00 0.00 C ATOM 0 H TRP A 32 -4.767 -4.054 -5.819 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.481 -5.605 -3.903 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.308 -4.459 -3.938 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.438 -4.969 -2.504 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.959 -1.986 -4.716 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.509 -0.004 -3.948 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.956 -4.486 -1.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.349 0.398 -2.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.218 -3.220 -0.250 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.916 -0.814 -0.636 1.00 0.00 H new ATOM 473 N ASP A 33 -6.064 -6.984 -5.351 1.00 0.00 N ATOM 474 CA ASP A 33 -6.845 -8.198 -5.527 1.00 0.00 C ATOM 475 C ASP A 33 -6.076 -9.229 -6.333 1.00 0.00 C ATOM 476 O ASP A 33 -6.477 -10.379 -6.426 1.00 0.00 O ATOM 477 CB ASP A 33 -8.205 -7.901 -6.197 1.00 0.00 C ATOM 478 CG ASP A 33 -8.095 -7.354 -7.611 1.00 0.00 C ATOM 479 OD1 ASP A 33 -7.830 -6.145 -7.777 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.333 -8.101 -8.569 1.00 0.00 O ATOM 0 H ASP A 33 -6.287 -6.249 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.037 -8.607 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.795 -8.817 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.751 -7.185 -5.583 1.00 0.00 H new ATOM 485 N SER A 34 -4.959 -8.829 -6.878 1.00 0.00 N ATOM 486 CA SER A 34 -4.153 -9.706 -7.664 1.00 0.00 C ATOM 487 C SER A 34 -2.967 -10.155 -6.831 1.00 0.00 C ATOM 488 O SER A 34 -2.169 -9.343 -6.365 1.00 0.00 O ATOM 489 CB SER A 34 -3.686 -8.984 -8.928 1.00 0.00 C ATOM 490 OG SER A 34 -2.939 -9.845 -9.782 1.00 0.00 O ATOM 0 H SER A 34 -4.587 -7.884 -6.786 1.00 0.00 H new ATOM 0 HA SER A 34 -4.730 -10.580 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.551 -8.598 -9.467 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.074 -8.126 -8.651 1.00 0.00 H new ATOM 0 HG SER A 34 -1.982 -9.672 -9.664 1.00 0.00 H new ATOM 496 N GLN A 35 -2.836 -11.430 -6.639 1.00 0.00 N ATOM 497 CA GLN A 35 -1.770 -11.943 -5.825 1.00 0.00 C ATOM 498 C GLN A 35 -0.616 -12.436 -6.730 1.00 0.00 C ATOM 499 O GLN A 35 0.200 -13.269 -6.362 1.00 0.00 O ATOM 500 CB GLN A 35 -2.323 -13.027 -4.891 1.00 0.00 C ATOM 501 CG GLN A 35 -1.366 -13.439 -3.798 1.00 0.00 C ATOM 502 CD GLN A 35 -1.982 -14.360 -2.787 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.953 -15.567 -2.939 1.00 0.00 O ATOM 504 NE2 GLN A 35 -2.517 -13.797 -1.736 1.00 0.00 N ATOM 0 H GLN A 35 -3.453 -12.139 -7.034 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.352 -11.162 -5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.245 -12.665 -4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.583 -13.905 -5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.502 -13.929 -4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.999 -12.547 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.520 -12.781 -1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.931 -14.374 -1.004 1.00 0.00 H new ATOM 513 N SER A 36 -0.541 -11.861 -7.900 1.00 0.00 N ATOM 514 CA SER A 36 0.488 -12.161 -8.842 1.00 0.00 C ATOM 515 C SER A 36 1.025 -10.860 -9.432 1.00 0.00 C ATOM 516 O SER A 36 0.249 -10.028 -9.918 1.00 0.00 O ATOM 517 CB SER A 36 -0.050 -13.080 -9.933 1.00 0.00 C ATOM 518 OG SER A 36 -0.496 -14.313 -9.374 1.00 0.00 O ATOM 0 H SER A 36 -1.207 -11.160 -8.225 1.00 0.00 H new ATOM 0 HA SER A 36 1.305 -12.681 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.873 -12.592 -10.454 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.728 -13.270 -10.673 1.00 0.00 H new ATOM 0 HG SER A 36 -0.840 -14.890 -10.087 1.00 0.00 H new ATOM 524 N PRO A 37 2.344 -10.636 -9.346 1.00 0.00 N ATOM 525 CA PRO A 37 3.321 -11.722 -9.061 1.00 0.00 C ATOM 526 C PRO A 37 3.557 -11.897 -7.558 1.00 0.00 C ATOM 527 O PRO A 37 3.895 -12.977 -7.086 1.00 0.00 O ATOM 528 CB PRO A 37 4.602 -11.183 -9.705 1.00 0.00 C ATOM 529 CG PRO A 37 4.446 -9.719 -9.566 1.00 0.00 C ATOM 530 CD PRO A 37 3.030 -9.467 -9.936 1.00 0.00 C ATOM 0 HA PRO A 37 2.986 -12.691 -9.431 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.495 -11.545 -9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.687 -11.484 -10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.656 -9.391 -8.548 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.131 -9.181 -10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.662 -8.527 -9.524 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.894 -9.417 -11.016 1.00 0.00 H new ATOM 538 N HIS A 38 3.387 -10.824 -6.826 1.00 0.00 N ATOM 539 CA HIS A 38 3.668 -10.822 -5.414 1.00 0.00 C ATOM 540 C HIS A 38 2.530 -11.348 -4.559 1.00 0.00 C ATOM 541 O HIS A 38 1.404 -10.788 -4.553 1.00 0.00 O ATOM 542 CB HIS A 38 4.080 -9.435 -4.950 1.00 0.00 C ATOM 543 CG HIS A 38 5.339 -8.956 -5.578 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.379 -7.927 -6.481 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.612 -9.391 -5.451 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.612 -7.757 -6.882 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.380 -8.628 -6.275 1.00 0.00 N ATOM 0 H HIS A 38 3.052 -9.932 -7.191 1.00 0.00 H new ATOM 0 HA HIS A 38 4.497 -11.517 -5.276 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.279 -8.731 -5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.202 -9.443 -3.867 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.575 -7.381 -6.791 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.955 -10.194 -4.815 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.943 -7.019 -7.597 1.00 0.00 H new ATOM 556 N ALA A 39 2.835 -12.387 -3.814 1.00 0.00 N ATOM 557 CA ALA A 39 1.928 -12.984 -2.878 1.00 0.00 C ATOM 558 C ALA A 39 1.891 -12.100 -1.657 1.00 0.00 C ATOM 559 O ALA A 39 2.940 -11.668 -1.173 1.00 0.00 O ATOM 560 CB ALA A 39 2.376 -14.395 -2.514 1.00 0.00 C ATOM 0 H ALA A 39 3.745 -12.847 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 39 0.933 -13.069 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.673 -14.828 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.407 -15.010 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.369 -14.357 -2.065 1.00 0.00 H new ATOM 566 N HIS A 40 0.716 -11.814 -1.168 1.00 0.00 N ATOM 567 CA HIS A 40 0.577 -10.851 -0.093 1.00 0.00 C ATOM 568 C HIS A 40 -0.788 -11.005 0.536 1.00 0.00 C ATOM 569 O HIS A 40 -1.721 -11.462 -0.135 1.00 0.00 O ATOM 570 CB HIS A 40 0.757 -9.407 -0.644 1.00 0.00 C ATOM 571 CG HIS A 40 -0.332 -8.956 -1.588 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.428 -9.349 -2.896 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.405 -8.182 -1.363 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.523 -8.833 -3.409 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.124 -8.121 -2.501 1.00 0.00 N ATOM 0 H HIS A 40 -0.159 -12.227 -1.490 1.00 0.00 H new ATOM 0 HA HIS A 40 1.344 -11.031 0.660 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.802 -8.714 0.196 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.715 -9.345 -1.159 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.238 -9.943 -3.390 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.650 -7.693 -0.432 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.868 -8.977 -4.422 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.994 -7.603 -2.629 1.00 0.00 H new ATOM 584 N GLY A 41 -0.924 -10.575 1.764 1.00 0.00 N ATOM 585 CA GLY A 41 -2.161 -10.724 2.465 1.00 0.00 C ATOM 586 C GLY A 41 -2.976 -9.458 2.539 1.00 0.00 C ATOM 587 O GLY A 41 -3.720 -9.257 3.492 1.00 0.00 O ATOM 0 H GLY A 41 -0.185 -10.117 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.753 -11.498 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.954 -11.071 3.477 1.00 0.00 H new ATOM 591 N TYR A 42 -2.879 -8.611 1.543 1.00 0.00 N ATOM 592 CA TYR A 42 -3.685 -7.409 1.550 1.00 0.00 C ATOM 593 C TYR A 42 -4.829 -7.651 0.641 1.00 0.00 C ATOM 594 O TYR A 42 -4.790 -7.316 -0.541 1.00 0.00 O ATOM 595 CB TYR A 42 -2.927 -6.122 1.161 1.00 0.00 C ATOM 596 CG TYR A 42 -1.862 -5.667 2.140 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.666 -6.362 2.293 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.052 -4.523 2.899 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.303 -5.922 3.177 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.088 -4.077 3.775 1.00 0.00 C ATOM 601 CZ TYR A 42 0.087 -4.776 3.909 1.00 0.00 C ATOM 602 OH TYR A 42 1.051 -4.326 4.778 1.00 0.00 O ATOM 0 H TYR A 42 -2.267 -8.724 0.735 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.009 -7.221 2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.459 -6.277 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.652 -5.317 1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.492 -7.257 1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.975 -3.970 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.224 -6.474 3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.255 -3.181 4.355 1.00 0.00 H new ATOM 0 HH TYR A 42 0.710 -3.552 5.273 1.00 0.00 H new ATOM 612 N ILE A 43 -5.763 -8.385 1.156 1.00 0.00 N ATOM 613 CA ILE A 43 -6.924 -8.762 0.408 1.00 0.00 C ATOM 614 C ILE A 43 -8.042 -7.717 0.595 1.00 0.00 C ATOM 615 O ILE A 43 -8.477 -7.449 1.722 1.00 0.00 O ATOM 616 CB ILE A 43 -7.397 -10.173 0.850 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.210 -11.147 0.762 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.536 -10.656 -0.035 1.00 0.00 C ATOM 619 CD1 ILE A 43 -6.505 -12.542 1.247 1.00 0.00 C ATOM 0 H ILE A 43 -5.744 -8.742 2.111 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.674 -8.799 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.761 -10.126 1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.877 -11.200 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.381 -10.742 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.854 -11.647 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.374 -9.963 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.197 -10.705 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.611 -13.158 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.807 -12.507 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.310 -12.972 0.651 1.00 0.00 H new ATOM 631 N PRO A 44 -8.546 -7.153 -0.525 1.00 0.00 N ATOM 632 CA PRO A 44 -9.576 -6.084 -0.525 1.00 0.00 C ATOM 633 C PRO A 44 -10.893 -6.473 0.122 1.00 0.00 C ATOM 634 O PRO A 44 -11.645 -5.612 0.584 1.00 0.00 O ATOM 635 CB PRO A 44 -9.826 -5.835 -2.007 1.00 0.00 C ATOM 636 CG PRO A 44 -8.601 -6.298 -2.687 1.00 0.00 C ATOM 637 CD PRO A 44 -8.115 -7.471 -1.905 1.00 0.00 C ATOM 0 HA PRO A 44 -9.221 -5.229 0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.702 -6.382 -2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.011 -4.779 -2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.810 -6.577 -3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.849 -5.510 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.554 -8.403 -2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.033 -7.582 -1.974 1.00 0.00 H new ATOM 645 N SER A 45 -11.180 -7.743 0.159 1.00 0.00 N ATOM 646 CA SER A 45 -12.424 -8.188 0.679 1.00 0.00 C ATOM 647 C SER A 45 -12.391 -8.221 2.197 1.00 0.00 C ATOM 648 O SER A 45 -13.402 -7.966 2.855 1.00 0.00 O ATOM 649 CB SER A 45 -12.773 -9.546 0.069 1.00 0.00 C ATOM 650 OG SER A 45 -11.677 -10.446 0.181 1.00 0.00 O ATOM 0 H SER A 45 -10.561 -8.485 -0.168 1.00 0.00 H new ATOM 0 HA SER A 45 -13.212 -7.487 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.645 -9.963 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.041 -9.421 -0.980 1.00 0.00 H new ATOM 0 HG SER A 45 -11.921 -11.309 -0.213 1.00 0.00 H new ATOM 656 N LYS A 46 -11.212 -8.474 2.761 1.00 0.00 N ATOM 657 CA LYS A 46 -11.098 -8.567 4.166 1.00 0.00 C ATOM 658 C LYS A 46 -10.769 -7.212 4.778 1.00 0.00 C ATOM 659 O LYS A 46 -10.956 -7.003 5.979 1.00 0.00 O ATOM 660 CB LYS A 46 -10.093 -9.628 4.567 1.00 0.00 C ATOM 661 CG LYS A 46 -8.629 -9.249 4.466 1.00 0.00 C ATOM 662 CD LYS A 46 -7.731 -10.344 5.047 1.00 0.00 C ATOM 663 CE LYS A 46 -8.088 -10.641 6.509 1.00 0.00 C ATOM 664 NZ LYS A 46 -7.166 -11.600 7.132 1.00 0.00 N ATOM 0 H LYS A 46 -10.342 -8.614 2.247 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.065 -8.876 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.299 -9.920 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.261 -10.508 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.367 -9.076 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.456 -8.313 4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.832 -11.253 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.688 -10.035 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.078 -9.711 7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.103 -11.034 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.378 -11.676 8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.279 -12.532 6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.187 -11.272 7.006 1.00 0.00 H new ATOM 678 N PHE A 47 -10.270 -6.298 3.941 1.00 0.00 N ATOM 679 CA PHE A 47 -10.018 -4.913 4.347 1.00 0.00 C ATOM 680 C PHE A 47 -10.822 -3.976 3.420 1.00 0.00 C ATOM 681 O PHE A 47 -10.242 -3.205 2.643 1.00 0.00 O ATOM 682 CB PHE A 47 -8.517 -4.552 4.244 1.00 0.00 C ATOM 683 CG PHE A 47 -7.579 -5.502 4.941 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.636 -5.674 6.308 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.630 -6.211 4.222 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.768 -6.541 6.950 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.763 -7.077 4.858 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.835 -7.241 6.221 1.00 0.00 C ATOM 0 H PHE A 47 -10.031 -6.495 2.969 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.324 -4.797 5.387 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.243 -4.504 3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.371 -3.554 4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.366 -5.126 6.885 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.568 -6.085 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.823 -6.667 8.021 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.029 -7.625 4.285 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.159 -7.920 6.720 1.00 0.00 H new ATOM 698 N PRO A 48 -12.171 -4.020 3.485 1.00 0.00 N ATOM 699 CA PRO A 48 -13.023 -3.294 2.540 1.00 0.00 C ATOM 700 C PRO A 48 -13.070 -1.796 2.817 1.00 0.00 C ATOM 701 O PRO A 48 -13.036 -0.978 1.898 1.00 0.00 O ATOM 702 CB PRO A 48 -14.396 -3.928 2.765 1.00 0.00 C ATOM 703 CG PRO A 48 -14.378 -4.308 4.206 1.00 0.00 C ATOM 704 CD PRO A 48 -12.980 -4.755 4.491 1.00 0.00 C ATOM 0 HA PRO A 48 -12.658 -3.370 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.201 -3.227 2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.546 -4.797 2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.655 -3.463 4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.093 -5.105 4.409 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.678 -4.506 5.508 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.873 -5.834 4.382 1.00 0.00 H new ATOM 712 N ASN A 49 -13.107 -1.445 4.084 1.00 0.00 N ATOM 713 CA ASN A 49 -13.217 -0.067 4.532 1.00 0.00 C ATOM 714 C ASN A 49 -11.959 0.748 4.240 1.00 0.00 C ATOM 715 O ASN A 49 -11.958 1.969 4.381 1.00 0.00 O ATOM 716 CB ASN A 49 -13.559 -0.001 6.033 1.00 0.00 C ATOM 717 CG ASN A 49 -12.465 -0.533 6.961 1.00 0.00 C ATOM 718 OD1 ASN A 49 -11.707 -1.450 6.608 1.00 0.00 O ATOM 719 ND2 ASN A 49 -12.370 0.033 8.141 1.00 0.00 N ATOM 0 H ASN A 49 -13.061 -2.119 4.848 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.031 0.380 3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.770 1.035 6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.473 -0.568 6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.657 -0.279 8.800 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -13.009 0.785 8.399 1.00 0.00 H new ATOM 726 N LYS A 50 -10.885 0.088 3.829 1.00 0.00 N ATOM 727 CA LYS A 50 -9.682 0.788 3.509 1.00 0.00 C ATOM 728 C LYS A 50 -9.607 1.080 2.005 1.00 0.00 C ATOM 729 O LYS A 50 -8.615 1.615 1.513 1.00 0.00 O ATOM 730 CB LYS A 50 -8.462 0.022 4.006 1.00 0.00 C ATOM 731 CG LYS A 50 -8.434 -0.243 5.522 1.00 0.00 C ATOM 732 CD LYS A 50 -8.738 1.021 6.333 1.00 0.00 C ATOM 733 CE LYS A 50 -8.659 0.768 7.835 1.00 0.00 C ATOM 734 NZ LYS A 50 -7.279 0.887 8.367 1.00 0.00 N ATOM 0 H LYS A 50 -10.837 -0.924 3.715 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.691 1.749 4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.414 -0.934 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.566 0.579 3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.163 -1.015 5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.454 -0.628 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.032 1.806 6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.733 1.385 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.305 1.477 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.042 -0.229 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.162 0.244 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.597 0.636 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.109 1.865 8.676 1.00 0.00 H new ATOM 748 N ASN A 51 -10.676 0.682 1.295 1.00 0.00 N ATOM 749 CA ASN A 51 -10.894 0.975 -0.139 1.00 0.00 C ATOM 750 C ASN A 51 -9.767 0.388 -1.017 1.00 0.00 C ATOM 751 O ASN A 51 -9.326 1.006 -1.989 1.00 0.00 O ATOM 752 CB ASN A 51 -11.046 2.521 -0.346 1.00 0.00 C ATOM 753 CG ASN A 51 -11.759 2.964 -1.653 1.00 0.00 C ATOM 754 OD1 ASN A 51 -12.447 3.985 -1.672 1.00 0.00 O ATOM 755 ND2 ASN A 51 -11.580 2.259 -2.728 1.00 0.00 N ATOM 0 H ASN A 51 -11.432 0.135 1.708 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.818 0.491 -0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.597 2.929 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.053 2.970 -0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.012 2.548 -3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.007 1.416 -2.695 1.00 0.00 H new ATOM 762 N LEU A 52 -9.336 -0.815 -0.710 1.00 0.00 N ATOM 763 CA LEU A 52 -8.322 -1.483 -1.518 1.00 0.00 C ATOM 764 C LEU A 52 -8.917 -1.944 -2.815 1.00 0.00 C ATOM 765 O LEU A 52 -9.528 -2.984 -2.880 1.00 0.00 O ATOM 766 CB LEU A 52 -7.671 -2.663 -0.777 1.00 0.00 C ATOM 767 CG LEU A 52 -6.438 -2.350 0.071 1.00 0.00 C ATOM 768 CD1 LEU A 52 -6.727 -1.280 1.089 1.00 0.00 C ATOM 769 CD2 LEU A 52 -5.940 -3.613 0.755 1.00 0.00 C ATOM 0 H LEU A 52 -9.666 -1.355 0.090 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.534 -0.757 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.423 -3.114 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.393 -3.416 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.659 -1.973 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.829 -1.083 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.036 -0.367 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.526 -1.614 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.062 -3.379 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.724 -4.012 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.676 -4.355 0.001 1.00 0.00 H new ATOM 781 N LYS A 53 -8.794 -1.140 -3.832 1.00 0.00 N ATOM 782 CA LYS A 53 -9.339 -1.490 -5.108 1.00 0.00 C ATOM 783 C LYS A 53 -8.319 -1.295 -6.158 1.00 0.00 C ATOM 784 O LYS A 53 -7.506 -0.354 -6.092 1.00 0.00 O ATOM 785 CB LYS A 53 -10.580 -0.678 -5.470 1.00 0.00 C ATOM 786 CG LYS A 53 -11.753 -0.734 -4.478 1.00 0.00 C ATOM 787 CD LYS A 53 -12.718 -1.917 -4.705 1.00 0.00 C ATOM 788 CE LYS A 53 -12.085 -3.295 -4.540 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.078 -4.380 -4.676 1.00 0.00 N ATOM 0 H LYS A 53 -8.320 -0.237 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.637 -2.536 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.283 0.364 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.939 -1.019 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.355 -0.794 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.316 0.197 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.551 -1.828 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.135 -1.841 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.301 -3.425 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.608 -3.360 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.606 -5.299 -4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.813 -4.271 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.515 -4.335 -5.619 1.00 0.00 H new ATOM 803 N LYS A 54 -8.405 -2.156 -7.128 1.00 0.00 N ATOM 804 CA LYS A 54 -7.519 -2.211 -8.263 1.00 0.00 C ATOM 805 C LYS A 54 -6.063 -2.158 -7.818 1.00 0.00 C ATOM 806 O LYS A 54 -5.674 -2.851 -6.888 1.00 0.00 O ATOM 807 CB LYS A 54 -7.872 -1.108 -9.286 1.00 0.00 C ATOM 808 CG LYS A 54 -9.275 -1.235 -9.876 1.00 0.00 C ATOM 809 CD LYS A 54 -9.468 -2.590 -10.547 1.00 0.00 C ATOM 810 CE LYS A 54 -10.804 -2.690 -11.255 1.00 0.00 C ATOM 811 NZ LYS A 54 -10.960 -3.992 -11.936 1.00 0.00 N ATOM 0 H LYS A 54 -9.128 -2.875 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.655 -3.166 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.779 -0.135 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.144 -1.132 -10.097 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.017 -1.107 -9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.441 -0.439 -10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.665 -2.756 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.395 -3.379 -9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.610 -2.557 -10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.892 -1.884 -11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.885 -4.027 -12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.205 -4.108 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.901 -4.759 -11.236 1.00 0.00 H new ATOM 825 N ASN A 55 -5.290 -1.362 -8.476 1.00 0.00 N ATOM 826 CA ASN A 55 -3.885 -1.201 -8.186 1.00 0.00 C ATOM 827 C ASN A 55 -3.650 0.256 -7.826 1.00 0.00 C ATOM 828 O ASN A 55 -2.611 0.839 -8.115 1.00 0.00 O ATOM 829 CB ASN A 55 -3.071 -1.593 -9.428 1.00 0.00 C ATOM 830 CG ASN A 55 -3.290 -0.669 -10.621 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.383 -0.109 -10.831 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.277 -0.497 -11.411 1.00 0.00 N ATOM 0 H ASN A 55 -5.615 -0.786 -9.252 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.575 -1.837 -7.357 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.012 -1.596 -9.171 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.332 -2.611 -9.716 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.364 0.109 -12.227 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.393 -0.967 -11.217 1.00 0.00 H new ATOM 839 N TYR A 56 -4.629 0.827 -7.186 1.00 0.00 N ATOM 840 CA TYR A 56 -4.590 2.200 -6.808 1.00 0.00 C ATOM 841 C TYR A 56 -3.902 2.352 -5.468 1.00 0.00 C ATOM 842 O TYR A 56 -4.129 1.544 -4.570 1.00 0.00 O ATOM 843 CB TYR A 56 -6.003 2.746 -6.763 1.00 0.00 C ATOM 844 CG TYR A 56 -6.737 2.763 -8.100 1.00 0.00 C ATOM 845 CD1 TYR A 56 -6.059 2.849 -9.329 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.122 2.743 -8.129 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.756 2.910 -10.518 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.817 2.793 -9.319 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.130 2.879 -10.507 1.00 0.00 C ATOM 850 OH TYR A 56 -8.826 2.950 -11.694 1.00 0.00 O ATOM 0 H TYR A 56 -5.484 0.343 -6.911 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.019 2.769 -7.542 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.582 2.152 -6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.970 3.763 -6.372 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.979 2.868 -9.342 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.669 2.687 -7.200 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.223 2.982 -11.455 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.897 2.765 -9.318 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.788 2.914 -11.512 1.00 0.00 H new ATOM 860 N CYS A 57 -3.090 3.398 -5.319 1.00 0.00 N ATOM 861 CA CYS A 57 -2.311 3.571 -4.094 1.00 0.00 C ATOM 862 C CYS A 57 -3.225 3.802 -2.912 1.00 0.00 C ATOM 863 O CYS A 57 -4.093 4.694 -2.934 1.00 0.00 O ATOM 864 CB CYS A 57 -1.303 4.709 -4.208 1.00 0.00 C ATOM 865 SG CYS A 57 -0.103 4.551 -5.579 1.00 0.00 S ATOM 0 H CYS A 57 -2.955 4.128 -6.019 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.749 2.650 -3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.848 5.645 -4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.752 4.780 -3.270 1.00 0.00 H new ATOM 870 N ARG A 58 -3.055 2.999 -1.902 1.00 0.00 N ATOM 871 CA ARG A 58 -3.891 3.040 -0.734 1.00 0.00 C ATOM 872 C ARG A 58 -3.039 3.009 0.501 1.00 0.00 C ATOM 873 O ARG A 58 -1.828 2.789 0.420 1.00 0.00 O ATOM 874 CB ARG A 58 -4.854 1.836 -0.721 1.00 0.00 C ATOM 875 CG ARG A 58 -5.878 1.820 -1.835 1.00 0.00 C ATOM 876 CD ARG A 58 -6.751 3.056 -1.793 1.00 0.00 C ATOM 877 NE ARG A 58 -7.742 3.049 -2.861 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.736 3.870 -3.899 1.00 0.00 C ATOM 879 NH1 ARG A 58 -6.713 4.699 -4.090 1.00 0.00 N ATOM 880 NH2 ARG A 58 -8.737 3.844 -4.778 1.00 0.00 N ATOM 0 H ARG A 58 -2.324 2.289 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.473 3.961 -0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.266 0.920 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.379 1.821 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.371 1.762 -2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.500 0.929 -1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.255 3.113 -0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.127 3.946 -1.880 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.494 2.362 -2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.931 4.703 -3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.711 5.331 -4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.510 3.190 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.730 4.478 -5.577 1.00 0.00 H new ATOM 894 N ASN A 59 -3.656 3.253 1.620 1.00 0.00 N ATOM 895 CA ASN A 59 -3.005 3.146 2.905 1.00 0.00 C ATOM 896 C ASN A 59 -3.950 2.471 3.877 1.00 0.00 C ATOM 897 O ASN A 59 -4.715 3.126 4.552 1.00 0.00 O ATOM 898 CB ASN A 59 -2.519 4.519 3.459 1.00 0.00 C ATOM 899 CG ASN A 59 -1.863 4.402 4.843 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.384 3.337 5.231 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.785 5.498 5.559 1.00 0.00 N ATOM 0 H ASN A 59 -4.635 3.535 1.673 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.105 2.545 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.806 4.956 2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.366 5.202 3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.317 5.483 6.465 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.192 6.365 5.210 1.00 0.00 H new ATOM 908 N PRO A 60 -4.000 1.136 3.868 1.00 0.00 N ATOM 909 CA PRO A 60 -4.845 0.393 4.800 1.00 0.00 C ATOM 910 C PRO A 60 -4.190 0.264 6.162 1.00 0.00 C ATOM 911 O PRO A 60 -4.850 0.330 7.205 1.00 0.00 O ATOM 912 CB PRO A 60 -4.954 -0.987 4.152 1.00 0.00 C ATOM 913 CG PRO A 60 -3.712 -1.140 3.331 1.00 0.00 C ATOM 914 CD PRO A 60 -3.279 0.240 2.919 1.00 0.00 C ATOM 0 HA PRO A 60 -5.804 0.883 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.025 -1.771 4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.847 -1.060 3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.929 -1.633 3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.903 -1.761 2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.199 0.360 2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.549 0.452 1.885 1.00 0.00 H new ATOM 922 N ASP A 61 -2.900 0.092 6.105 1.00 0.00 N ATOM 923 CA ASP A 61 -2.000 -0.147 7.219 1.00 0.00 C ATOM 924 C ASP A 61 -2.051 0.901 8.276 1.00 0.00 C ATOM 925 O ASP A 61 -1.836 0.589 9.433 1.00 0.00 O ATOM 926 CB ASP A 61 -0.579 -0.134 6.715 1.00 0.00 C ATOM 927 CG ASP A 61 -0.298 -1.121 5.662 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.789 -0.925 4.552 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.496 -2.054 5.909 1.00 0.00 O ATOM 0 H ASP A 61 -2.403 0.115 5.214 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.313 -1.100 7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.351 0.861 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.093 -0.315 7.554 1.00 0.00 H new ATOM 934 N ARG A 62 -2.319 2.141 7.868 1.00 0.00 N ATOM 935 CA ARG A 62 -2.174 3.337 8.720 1.00 0.00 C ATOM 936 C ARG A 62 -0.699 3.659 8.791 1.00 0.00 C ATOM 937 O ARG A 62 -0.173 4.139 9.800 1.00 0.00 O ATOM 938 CB ARG A 62 -2.798 3.192 10.129 1.00 0.00 C ATOM 939 CG ARG A 62 -4.294 3.004 10.109 1.00 0.00 C ATOM 940 CD ARG A 62 -4.881 2.889 11.500 1.00 0.00 C ATOM 941 NE ARG A 62 -4.559 4.046 12.357 1.00 0.00 N ATOM 942 CZ ARG A 62 -5.410 5.045 12.643 1.00 0.00 C ATOM 943 NH1 ARG A 62 -6.442 5.295 11.839 1.00 0.00 N ATOM 944 NH2 ARG A 62 -5.155 5.861 13.658 1.00 0.00 N ATOM 0 H ARG A 62 -2.647 2.354 6.926 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.736 4.156 8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.340 2.342 10.635 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.559 4.079 10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.756 3.845 9.591 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.537 2.107 9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.964 2.789 11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.509 1.979 11.972 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.623 4.090 12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.587 4.727 11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.087 6.054 12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.314 5.729 14.220 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.800 6.620 13.877 1.00 0.00 H new ATOM 958 N ASP A 63 -0.045 3.390 7.668 1.00 0.00 N ATOM 959 CA ASP A 63 1.359 3.648 7.430 1.00 0.00 C ATOM 960 C ASP A 63 1.546 5.173 7.291 1.00 0.00 C ATOM 961 O ASP A 63 0.595 5.941 7.492 1.00 0.00 O ATOM 962 CB ASP A 63 1.779 2.906 6.128 1.00 0.00 C ATOM 963 CG ASP A 63 3.254 2.602 6.023 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.078 3.517 6.031 1.00 0.00 O ATOM 965 OD2 ASP A 63 3.606 1.406 5.964 1.00 0.00 O ATOM 0 H ASP A 63 -0.507 2.966 6.863 1.00 0.00 H new ATOM 0 HA ASP A 63 1.982 3.289 8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.224 1.970 6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.485 3.511 5.270 1.00 0.00 H new ATOM 970 N LEU A 64 2.712 5.610 6.928 1.00 0.00 N ATOM 971 CA LEU A 64 3.001 7.034 6.888 1.00 0.00 C ATOM 972 C LEU A 64 2.314 7.743 5.731 1.00 0.00 C ATOM 973 O LEU A 64 1.961 8.935 5.843 1.00 0.00 O ATOM 974 CB LEU A 64 4.511 7.340 6.907 1.00 0.00 C ATOM 975 CG LEU A 64 5.264 7.129 8.241 1.00 0.00 C ATOM 976 CD1 LEU A 64 5.266 5.673 8.686 1.00 0.00 C ATOM 977 CD2 LEU A 64 6.682 7.656 8.127 1.00 0.00 C ATOM 0 H LEU A 64 3.489 5.010 6.652 1.00 0.00 H new ATOM 0 HA LEU A 64 2.580 7.436 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.990 6.720 6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.648 8.378 6.604 1.00 0.00 H new ATOM 0 HG LEU A 64 4.730 7.690 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.808 5.581 9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.239 5.333 8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.752 5.061 7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.204 7.503 9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.205 7.124 7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.657 8.721 7.895 1.00 0.00 H new ATOM 989 N ARG A 65 2.116 7.039 4.653 1.00 0.00 N ATOM 990 CA ARG A 65 1.447 7.583 3.497 1.00 0.00 C ATOM 991 C ARG A 65 1.063 6.411 2.627 1.00 0.00 C ATOM 992 O ARG A 65 1.573 5.307 2.860 1.00 0.00 O ATOM 993 CB ARG A 65 2.359 8.573 2.702 1.00 0.00 C ATOM 994 CG ARG A 65 3.477 7.924 1.892 1.00 0.00 C ATOM 995 CD ARG A 65 4.272 8.956 1.104 1.00 0.00 C ATOM 996 NE ARG A 65 5.070 9.824 1.976 1.00 0.00 N ATOM 997 CZ ARG A 65 5.386 11.102 1.738 1.00 0.00 C ATOM 998 NH1 ARG A 65 4.881 11.735 0.699 1.00 0.00 N ATOM 999 NH2 ARG A 65 6.192 11.745 2.575 1.00 0.00 N ATOM 0 H ARG A 65 2.413 6.069 4.547 1.00 0.00 H new ATOM 0 HA ARG A 65 0.574 8.156 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.733 9.154 2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.804 9.276 3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.146 7.383 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.052 7.191 1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.931 8.446 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.588 9.566 0.514 1.00 0.00 H new ATOM 0 HE ARG A 65 5.416 9.416 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.243 11.251 0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.128 12.709 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.566 11.264 3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.437 12.719 2.400 1.00 0.00 H new ATOM 1013 N PRO A 66 0.139 6.591 1.661 1.00 0.00 N ATOM 1014 CA PRO A 66 -0.229 5.536 0.727 1.00 0.00 C ATOM 1015 C PRO A 66 0.956 4.984 -0.030 1.00 0.00 C ATOM 1016 O PRO A 66 1.954 5.671 -0.305 1.00 0.00 O ATOM 1017 CB PRO A 66 -1.204 6.222 -0.221 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.817 7.244 0.637 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.668 7.801 1.427 1.00 0.00 C ATOM 0 HA PRO A 66 -0.652 4.673 1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.694 6.664 -1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.944 5.526 -0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.306 8.018 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.577 6.813 1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.118 8.560 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.996 8.262 2.359 1.00 0.00 H new ATOM 1027 N TRP A 67 0.831 3.774 -0.381 1.00 0.00 N ATOM 1028 CA TRP A 67 1.847 3.043 -1.022 1.00 0.00 C ATOM 1029 C TRP A 67 1.163 2.071 -1.939 1.00 0.00 C ATOM 1030 O TRP A 67 -0.079 2.083 -2.021 1.00 0.00 O ATOM 1031 CB TRP A 67 2.729 2.330 0.032 1.00 0.00 C ATOM 1032 CG TRP A 67 1.960 1.421 0.935 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.309 1.759 2.091 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.756 0.026 0.755 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.703 0.657 2.617 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.965 -0.419 1.815 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.168 -0.890 -0.209 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.571 -1.738 1.934 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.780 -2.196 -0.088 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.988 -2.610 0.979 1.00 0.00 C ATOM 0 H TRP A 67 -0.021 3.236 -0.224 1.00 0.00 H new ATOM 0 HA TRP A 67 2.513 3.687 -1.597 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.500 1.754 -0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.240 3.081 0.635 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.280 2.749 2.521 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.145 0.638 3.470 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.784 -0.575 -1.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.047 -2.065 2.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.092 -2.916 -0.830 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.698 -3.648 1.050 1.00 0.00 H new ATOM 1051 N CYS A 68 1.910 1.264 -2.624 1.00 0.00 N ATOM 1052 CA CYS A 68 1.321 0.312 -3.497 1.00 0.00 C ATOM 1053 C CYS A 68 2.320 -0.800 -3.755 1.00 0.00 C ATOM 1054 O CYS A 68 3.531 -0.611 -3.531 1.00 0.00 O ATOM 1055 CB CYS A 68 0.916 0.997 -4.798 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.720 0.509 -5.387 1.00 0.00 S ATOM 0 H CYS A 68 2.929 1.249 -2.592 1.00 0.00 H new ATOM 0 HA CYS A 68 0.426 -0.116 -3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.934 2.077 -4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.654 0.767 -5.566 1.00 0.00 H new ATOM 1061 N PHE A 69 1.839 -1.958 -4.158 1.00 0.00 N ATOM 1062 CA PHE A 69 2.719 -3.053 -4.493 1.00 0.00 C ATOM 1063 C PHE A 69 3.263 -2.855 -5.882 1.00 0.00 C ATOM 1064 O PHE A 69 2.595 -2.306 -6.730 1.00 0.00 O ATOM 1065 CB PHE A 69 2.012 -4.404 -4.395 1.00 0.00 C ATOM 1066 CG PHE A 69 1.839 -4.916 -2.996 1.00 0.00 C ATOM 1067 CD1 PHE A 69 2.912 -5.474 -2.320 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.616 -4.862 -2.363 1.00 0.00 C ATOM 1069 CE1 PHE A 69 2.774 -5.962 -1.041 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.471 -5.349 -1.078 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.553 -5.899 -0.418 1.00 0.00 C ATOM 0 H PHE A 69 0.845 -2.163 -4.261 1.00 0.00 H new ATOM 0 HA PHE A 69 3.536 -3.059 -3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.031 -4.321 -4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.577 -5.138 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.875 -5.527 -2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.235 -4.436 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.622 -6.393 -0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.490 -5.300 -0.588 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.438 -6.279 0.586 1.00 0.00 H new ATOM 1081 N THR A 70 4.454 -3.268 -6.107 1.00 0.00 N ATOM 1082 CA THR A 70 5.071 -3.118 -7.392 1.00 0.00 C ATOM 1083 C THR A 70 4.850 -4.333 -8.281 1.00 0.00 C ATOM 1084 O THR A 70 4.707 -5.464 -7.793 1.00 0.00 O ATOM 1085 CB THR A 70 6.562 -2.908 -7.200 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.900 -3.275 -5.860 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.973 -1.479 -7.461 1.00 0.00 C ATOM 0 H THR A 70 5.041 -3.724 -5.408 1.00 0.00 H new ATOM 0 HA THR A 70 4.615 -2.259 -7.885 1.00 0.00 H new ATOM 0 HB THR A 70 7.096 -3.530 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.050 -4.242 -5.814 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.048 -1.376 -7.311 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.722 -1.210 -8.487 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.446 -0.817 -6.773 1.00 0.00 H new ATOM 1095 N THR A 71 4.787 -4.098 -9.574 1.00 0.00 N ATOM 1096 CA THR A 71 4.744 -5.164 -10.535 1.00 0.00 C ATOM 1097 C THR A 71 6.171 -5.577 -10.912 1.00 0.00 C ATOM 1098 O THR A 71 6.380 -6.542 -11.656 1.00 0.00 O ATOM 1099 CB THR A 71 3.959 -4.744 -11.789 1.00 0.00 C ATOM 1100 OG1 THR A 71 4.390 -3.447 -12.205 1.00 0.00 O ATOM 1101 CG2 THR A 71 2.463 -4.731 -11.526 1.00 0.00 C ATOM 0 H THR A 71 4.764 -3.163 -9.982 1.00 0.00 H new ATOM 0 HA THR A 71 4.230 -6.015 -10.088 1.00 0.00 H new ATOM 0 HB THR A 71 4.154 -5.471 -12.577 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.912 -2.763 -11.691 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.937 -4.430 -12.432 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.137 -5.728 -11.231 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.240 -4.025 -10.726 1.00 0.00 H new ATOM 1109 N ASP A 72 7.151 -4.828 -10.391 1.00 0.00 N ATOM 1110 CA ASP A 72 8.544 -5.135 -10.590 1.00 0.00 C ATOM 1111 C ASP A 72 8.864 -6.345 -9.742 1.00 0.00 C ATOM 1112 O ASP A 72 8.672 -6.301 -8.541 1.00 0.00 O ATOM 1113 CB ASP A 72 9.406 -3.947 -10.151 1.00 0.00 C ATOM 1114 CG ASP A 72 10.887 -4.211 -10.286 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.502 -4.705 -9.331 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.468 -3.910 -11.345 1.00 0.00 O ATOM 0 H ASP A 72 6.985 -3.997 -9.823 1.00 0.00 H new ATOM 0 HA ASP A 72 8.750 -5.336 -11.641 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.142 -3.074 -10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.179 -3.704 -9.113 1.00 0.00 H new ATOM 1121 N PRO A 73 9.303 -7.456 -10.350 1.00 0.00 N ATOM 1122 CA PRO A 73 9.573 -8.715 -9.634 1.00 0.00 C ATOM 1123 C PRO A 73 10.543 -8.583 -8.458 1.00 0.00 C ATOM 1124 O PRO A 73 10.462 -9.354 -7.495 1.00 0.00 O ATOM 1125 CB PRO A 73 10.151 -9.637 -10.707 1.00 0.00 C ATOM 1126 CG PRO A 73 9.686 -9.083 -11.989 1.00 0.00 C ATOM 1127 CD PRO A 73 9.539 -7.599 -11.798 1.00 0.00 C ATOM 0 HA PRO A 73 8.659 -9.087 -9.171 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.240 -9.660 -10.661 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.805 -10.662 -10.573 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.399 -9.301 -12.785 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.736 -9.530 -12.281 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.435 -7.064 -12.113 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.708 -7.200 -12.381 1.00 0.00 H new ATOM 1135 N ASN A 74 11.416 -7.609 -8.509 1.00 0.00 N ATOM 1136 CA ASN A 74 12.388 -7.428 -7.459 1.00 0.00 C ATOM 1137 C ASN A 74 11.819 -6.585 -6.326 1.00 0.00 C ATOM 1138 O ASN A 74 12.052 -6.870 -5.144 1.00 0.00 O ATOM 1139 CB ASN A 74 13.676 -6.812 -8.016 1.00 0.00 C ATOM 1140 CG ASN A 74 14.722 -6.516 -6.948 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.529 -7.379 -6.579 1.00 0.00 O ATOM 1142 ND2 ASN A 74 14.753 -5.296 -6.480 1.00 0.00 N ATOM 0 H ASN A 74 11.474 -6.928 -9.267 1.00 0.00 H new ATOM 0 HA ASN A 74 12.633 -8.408 -7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.104 -7.491 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.430 -5.887 -8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.457 -5.032 -5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.074 -4.608 -6.805 1.00 0.00 H new ATOM 1149 N LYS A 75 11.029 -5.599 -6.668 1.00 0.00 N ATOM 1150 CA LYS A 75 10.492 -4.687 -5.678 1.00 0.00 C ATOM 1151 C LYS A 75 9.215 -5.247 -5.097 1.00 0.00 C ATOM 1152 O LYS A 75 8.294 -5.563 -5.838 1.00 0.00 O ATOM 1153 CB LYS A 75 10.222 -3.335 -6.321 1.00 0.00 C ATOM 1154 CG LYS A 75 10.510 -2.186 -5.385 1.00 0.00 C ATOM 1155 CD LYS A 75 10.791 -0.917 -6.140 1.00 0.00 C ATOM 1156 CE LYS A 75 11.516 0.074 -5.254 1.00 0.00 C ATOM 1157 NZ LYS A 75 11.957 1.257 -6.001 1.00 0.00 N ATOM 0 H LYS A 75 10.740 -5.403 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 75 11.218 -4.563 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.834 -3.233 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.181 -3.289 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.659 -2.034 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.365 -2.433 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.394 -1.136 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.856 -0.482 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.859 0.383 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.380 -0.411 -4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.493 1.886 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.564 0.962 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.127 1.763 -6.371 1.00 0.00 H new ATOM 1171 N ARG A 76 9.137 -5.365 -3.792 1.00 0.00 N ATOM 1172 CA ARG A 76 7.944 -5.943 -3.190 1.00 0.00 C ATOM 1173 C ARG A 76 6.867 -4.892 -3.147 1.00 0.00 C ATOM 1174 O ARG A 76 5.730 -5.125 -3.566 1.00 0.00 O ATOM 1175 CB ARG A 76 8.216 -6.480 -1.785 1.00 0.00 C ATOM 1176 CG ARG A 76 7.149 -7.469 -1.319 1.00 0.00 C ATOM 1177 CD ARG A 76 7.410 -7.984 0.087 1.00 0.00 C ATOM 1178 NE ARG A 76 6.553 -9.143 0.406 1.00 0.00 N ATOM 1179 CZ ARG A 76 5.705 -9.250 1.448 1.00 0.00 C ATOM 1180 NH1 ARG A 76 5.503 -8.233 2.270 1.00 0.00 N ATOM 1181 NH2 ARG A 76 5.060 -10.381 1.660 1.00 0.00 N ATOM 0 H ARG A 76 9.863 -5.078 -3.135 1.00 0.00 H new ATOM 0 HA ARG A 76 7.623 -6.789 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.191 -6.968 -1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.265 -5.647 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.172 -6.987 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.111 -8.311 -2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.458 -8.268 0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.228 -7.186 0.807 1.00 0.00 H new ATOM 0 HE ARG A 76 6.608 -9.942 -0.225 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.993 -7.351 2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.858 -8.331 3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.203 -11.175 1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.418 -10.462 2.449 1.00 0.00 H new ATOM 1195 N TRP A 77 7.241 -3.732 -2.671 1.00 0.00 N ATOM 1196 CA TRP A 77 6.352 -2.597 -2.630 1.00 0.00 C ATOM 1197 C TRP A 77 7.154 -1.329 -2.686 1.00 0.00 C ATOM 1198 O TRP A 77 8.390 -1.354 -2.556 1.00 0.00 O ATOM 1199 CB TRP A 77 5.438 -2.593 -1.373 1.00 0.00 C ATOM 1200 CG TRP A 77 6.174 -2.500 -0.048 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.673 -3.526 0.697 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.469 -1.304 0.690 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.301 -3.033 1.815 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.180 -1.683 1.836 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.213 0.048 0.482 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.635 -0.763 2.770 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.662 0.957 1.407 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.368 0.549 2.540 1.00 0.00 C ATOM 0 H TRP A 77 8.173 -3.546 -2.300 1.00 0.00 H new ATOM 0 HA TRP A 77 5.696 -2.667 -3.497 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.746 -1.754 -1.447 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.837 -3.503 -1.375 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.587 -4.573 0.446 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.782 -3.594 2.518 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.670 0.376 -0.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.181 -1.078 3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.465 2.008 1.255 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.709 1.291 3.247 1.00 0.00 H new ATOM 1219 N GLU A 78 6.466 -0.242 -2.854 1.00 0.00 N ATOM 1220 CA GLU A 78 7.079 1.056 -2.854 1.00 0.00 C ATOM 1221 C GLU A 78 6.067 2.049 -2.317 1.00 0.00 C ATOM 1222 O GLU A 78 4.848 1.838 -2.464 1.00 0.00 O ATOM 1223 CB GLU A 78 7.498 1.482 -4.273 1.00 0.00 C ATOM 1224 CG GLU A 78 8.440 2.676 -4.293 1.00 0.00 C ATOM 1225 CD GLU A 78 8.813 3.112 -5.684 1.00 0.00 C ATOM 1226 OE1 GLU A 78 9.780 2.607 -6.243 1.00 0.00 O ATOM 1227 OE2 GLU A 78 8.149 3.975 -6.235 1.00 0.00 O ATOM 0 H GLU A 78 5.456 -0.227 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 78 7.976 1.026 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.980 0.640 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.605 1.723 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.971 3.510 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.347 2.425 -3.742 1.00 0.00 H new ATOM 1234 N TYR A 79 6.543 3.085 -1.646 1.00 0.00 N ATOM 1235 CA TYR A 79 5.691 4.154 -1.231 1.00 0.00 C ATOM 1236 C TYR A 79 5.171 4.862 -2.448 1.00 0.00 C ATOM 1237 O TYR A 79 5.850 4.943 -3.479 1.00 0.00 O ATOM 1238 CB TYR A 79 6.414 5.158 -0.324 1.00 0.00 C ATOM 1239 CG TYR A 79 6.461 4.790 1.144 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.346 4.986 1.945 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.610 4.290 1.737 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.366 4.698 3.289 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.637 3.987 3.091 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.510 4.200 3.861 1.00 0.00 C ATOM 1245 OH TYR A 79 6.529 3.908 5.210 1.00 0.00 O ATOM 0 H TYR A 79 7.522 3.196 -1.383 1.00 0.00 H new ATOM 0 HA TYR A 79 4.873 3.725 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.436 5.277 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.926 6.128 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.441 5.374 1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.495 4.134 1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.485 4.863 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.534 3.587 3.540 1.00 0.00 H new ATOM 0 HH TYR A 79 5.640 4.067 5.592 1.00 0.00 H new ATOM 1255 N CYS A 80 4.007 5.360 -2.348 1.00 0.00 N ATOM 1256 CA CYS A 80 3.422 6.038 -3.436 1.00 0.00 C ATOM 1257 C CYS A 80 3.457 7.487 -3.096 1.00 0.00 C ATOM 1258 O CYS A 80 3.272 7.872 -1.934 1.00 0.00 O ATOM 1259 CB CYS A 80 1.986 5.587 -3.630 1.00 0.00 C ATOM 1260 SG CYS A 80 1.238 6.045 -5.222 1.00 0.00 S ATOM 0 H CYS A 80 3.428 5.312 -1.510 1.00 0.00 H new ATOM 0 HA CYS A 80 3.960 5.831 -4.361 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.946 4.503 -3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.379 6.006 -2.828 1.00 0.00 H new ATOM 1265 N ASP A 81 3.722 8.275 -4.052 1.00 0.00 N ATOM 1266 CA ASP A 81 3.784 9.687 -3.839 1.00 0.00 C ATOM 1267 C ASP A 81 2.512 10.251 -4.337 1.00 0.00 C ATOM 1268 O ASP A 81 2.261 10.278 -5.544 1.00 0.00 O ATOM 1269 CB ASP A 81 4.955 10.325 -4.566 1.00 0.00 C ATOM 1270 CG ASP A 81 5.024 11.826 -4.344 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.518 12.257 -3.283 1.00 0.00 O ATOM 1272 OD2 ASP A 81 4.597 12.599 -5.224 1.00 0.00 O ATOM 0 H ASP A 81 3.905 7.978 -5.010 1.00 0.00 H new ATOM 0 HA ASP A 81 3.930 9.892 -2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.884 9.867 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.871 10.122 -5.634 1.00 0.00 H new ATOM 1277 N ILE A 82 1.682 10.610 -3.442 1.00 0.00 N ATOM 1278 CA ILE A 82 0.413 11.118 -3.791 1.00 0.00 C ATOM 1279 C ILE A 82 0.504 12.627 -3.857 1.00 0.00 C ATOM 1280 O ILE A 82 1.251 13.236 -3.064 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.633 10.727 -2.725 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.510 9.242 -2.354 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.034 11.020 -3.239 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -0.839 8.279 -3.471 1.00 0.00 C ATOM 0 H ILE A 82 1.861 10.561 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 82 0.110 10.705 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.447 11.320 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.508 9.050 -2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.170 9.037 -1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.766 10.741 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.126 12.084 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.216 10.445 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.724 7.255 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.867 8.437 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.163 8.449 -4.309 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.097 -4.430 13.291 1.00 0.00 N ATOM 1495 CA ALA B 108 -4.081 -5.114 14.063 1.00 0.00 C ATOM 1496 C ALA B 108 -3.330 -6.097 13.181 1.00 0.00 C ATOM 1497 O ALA B 108 -2.104 -6.266 13.318 1.00 0.00 O ATOM 1498 CB ALA B 108 -4.691 -5.809 15.257 1.00 0.00 C ATOM 0 HA ALA B 108 -3.371 -4.377 14.438 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -3.909 -6.316 15.822 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -5.181 -5.073 15.895 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -5.425 -6.540 14.917 1.00 0.00 H new ATOM 1504 N GLU B 109 -4.052 -6.731 12.259 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.424 -7.625 11.296 1.00 0.00 C ATOM 1506 C GLU B 109 -2.588 -6.779 10.350 1.00 0.00 C ATOM 1507 O GLU B 109 -1.441 -7.116 10.023 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.464 -8.430 10.501 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.836 -9.478 9.593 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.837 -10.293 8.818 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -5.376 -11.266 9.357 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -5.073 -10.015 7.632 1.00 0.00 O ATOM 0 H GLU B 109 -5.063 -6.642 12.161 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.803 -8.345 11.829 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -5.145 -8.921 11.196 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.062 -7.746 9.898 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.165 -8.982 8.892 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.226 -10.149 10.197 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.167 -5.653 9.961 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.523 -4.670 9.120 1.00 0.00 C ATOM 1521 C LEU B 110 -1.235 -4.159 9.736 1.00 0.00 C ATOM 1522 O LEU B 110 -0.280 -3.945 9.040 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.484 -3.527 8.815 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.588 -3.841 7.802 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -5.624 -2.735 7.772 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -3.988 -4.024 6.416 1.00 0.00 C ATOM 0 H LEU B 110 -4.117 -5.397 10.230 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.253 -5.154 8.182 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.951 -3.211 9.748 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -2.906 -2.680 8.445 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.078 -4.765 8.107 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.398 -2.981 7.045 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.074 -2.631 8.759 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.146 -1.797 7.490 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -4.781 -4.247 5.703 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.478 -3.109 6.117 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.274 -4.848 6.434 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.219 -3.997 11.049 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.015 -3.594 11.772 1.00 0.00 C ATOM 1540 C GLN B 111 1.111 -4.604 11.537 1.00 0.00 C ATOM 1541 O GLN B 111 2.223 -4.241 11.183 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.315 -3.501 13.257 1.00 0.00 C ATOM 1543 CG GLN B 111 0.841 -2.987 14.086 1.00 0.00 C ATOM 1544 CD GLN B 111 1.241 -1.566 13.749 1.00 0.00 C ATOM 1545 OE1 GLN B 111 2.077 -1.330 12.887 1.00 0.00 O ATOM 1546 NE2 GLN B 111 0.668 -0.616 14.441 1.00 0.00 N ATOM 0 H GLN B 111 -2.034 -4.139 11.645 1.00 0.00 H new ATOM 0 HA GLN B 111 0.304 -2.619 11.404 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.174 -2.846 13.404 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -0.601 -4.487 13.622 1.00 0.00 H new ATOM 0 HG2 GLN B 111 0.573 -3.040 15.141 1.00 0.00 H new ATOM 0 HG3 GLN B 111 1.700 -3.642 13.942 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -0.025 -0.850 15.152 1.00 0.00 H new ATOM 0 HE22 GLN B 111 0.914 0.359 14.270 1.00 0.00 H new ATOM 1555 N ARG B 112 0.778 -5.867 11.662 1.00 0.00 N ATOM 1556 CA ARG B 112 1.733 -6.979 11.528 1.00 0.00 C ATOM 1557 C ARG B 112 2.201 -7.058 10.073 1.00 0.00 C ATOM 1558 O ARG B 112 3.382 -7.279 9.806 1.00 0.00 O ATOM 1559 CB ARG B 112 0.997 -8.261 11.961 1.00 0.00 C ATOM 1560 CG ARG B 112 1.842 -9.475 12.379 1.00 0.00 C ATOM 1561 CD ARG B 112 1.852 -10.595 11.339 1.00 0.00 C ATOM 1562 NE ARG B 112 2.846 -10.424 10.283 1.00 0.00 N ATOM 1563 CZ ARG B 112 2.719 -10.889 9.026 1.00 0.00 C ATOM 1564 NH1 ARG B 112 1.559 -11.374 8.602 1.00 0.00 N ATOM 1565 NH2 ARG B 112 3.755 -10.882 8.219 1.00 0.00 N ATOM 0 H ARG B 112 -0.174 -6.172 11.863 1.00 0.00 H new ATOM 0 HA ARG B 112 2.617 -6.841 12.151 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.345 -8.005 12.796 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.354 -8.570 11.137 1.00 0.00 H new ATOM 0 HG2 ARG B 112 2.866 -9.150 12.562 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.459 -9.868 13.321 1.00 0.00 H new ATOM 0 HD2 ARG B 112 2.035 -11.543 11.845 1.00 0.00 H new ATOM 0 HD3 ARG B 112 0.864 -10.662 10.884 1.00 0.00 H new ATOM 0 HE ARG B 112 3.699 -9.915 10.515 1.00 0.00 H new ATOM 0 HH11 ARG B 112 0.755 -11.396 9.230 1.00 0.00 H new ATOM 0 HH12 ARG B 112 1.471 -11.724 7.648 1.00 0.00 H new ATOM 0 HH21 ARG B 112 4.653 -10.525 8.545 1.00 0.00 H new ATOM 0 HH22 ARG B 112 3.662 -11.234 7.266 1.00 0.00 H new ATOM 1579 N LEU B 113 1.280 -6.841 9.158 1.00 0.00 N ATOM 1580 CA LEU B 113 1.585 -6.815 7.722 1.00 0.00 C ATOM 1581 C LEU B 113 2.450 -5.599 7.376 1.00 0.00 C ATOM 1582 O LEU B 113 3.410 -5.701 6.596 1.00 0.00 O ATOM 1583 CB LEU B 113 0.296 -6.800 6.890 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.600 -8.041 6.972 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.893 -7.806 6.212 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.117 -9.257 6.404 1.00 0.00 C ATOM 0 H LEU B 113 0.297 -6.677 9.376 1.00 0.00 H new ATOM 0 HA LEU B 113 2.142 -7.720 7.480 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.294 -5.936 7.195 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.569 -6.647 5.846 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.831 -8.228 8.021 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.520 -8.695 6.278 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.421 -6.956 6.645 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.668 -7.598 5.166 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.535 -10.128 6.471 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.372 -9.074 5.360 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.028 -9.441 6.973 1.00 0.00 H new ATOM 1598 N LYS B 114 2.121 -4.463 7.979 1.00 0.00 N ATOM 1599 CA LYS B 114 2.860 -3.233 7.798 1.00 0.00 C ATOM 1600 C LYS B 114 4.279 -3.480 8.263 1.00 0.00 C ATOM 1601 O LYS B 114 5.236 -3.218 7.550 1.00 0.00 O ATOM 1602 CB LYS B 114 2.217 -2.116 8.643 1.00 0.00 C ATOM 1603 CG LYS B 114 2.613 -0.700 8.251 1.00 0.00 C ATOM 1604 CD LYS B 114 1.953 0.347 9.144 1.00 0.00 C ATOM 1605 CE LYS B 114 2.622 0.431 10.488 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.902 1.314 11.418 1.00 0.00 N ATOM 0 H LYS B 114 1.326 -4.376 8.612 1.00 0.00 H new ATOM 0 HA LYS B 114 2.850 -2.925 6.752 1.00 0.00 H new ATOM 0 HB2 LYS B 114 1.133 -2.206 8.572 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.482 -2.274 9.688 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.696 -0.597 8.311 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.333 -0.520 7.213 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.994 1.320 8.655 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.899 0.101 9.276 1.00 0.00 H new ATOM 0 HE2 LYS B 114 2.691 -0.568 10.919 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.642 0.795 10.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 2.497 2.136 11.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.019 1.638 10.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 1.681 0.793 12.290 1.00 0.00 H new ATOM 1620 N ASN B 115 4.379 -4.051 9.449 1.00 0.00 N ATOM 1621 CA ASN B 115 5.652 -4.421 10.078 1.00 0.00 C ATOM 1622 C ASN B 115 6.424 -5.403 9.202 1.00 0.00 C ATOM 1623 O ASN B 115 7.615 -5.258 9.023 1.00 0.00 O ATOM 1624 CB ASN B 115 5.384 -5.006 11.492 1.00 0.00 C ATOM 1625 CG ASN B 115 5.157 -3.953 12.587 1.00 0.00 C ATOM 1626 OD1 ASN B 115 4.501 -2.869 12.264 1.00 0.00 O flip ATOM 1627 ND2 ASN B 115 5.526 -4.154 13.738 1.00 0.00 N flip ATOM 0 H ASN B 115 3.566 -4.279 10.021 1.00 0.00 H new ATOM 0 HA ASN B 115 6.271 -3.530 10.185 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.509 -5.654 11.443 1.00 0.00 H new ATOM 0 HB3 ASN B 115 6.229 -5.632 11.778 1.00 0.00 H new ATOM 0 HD21 ASN B 115 6.037 -5.006 13.968 1.00 0.00 H new ATOM 0 HD22 ASN B 115 5.323 -3.469 14.466 1.00 0.00 H new ATOM 1634 N GLU B 116 5.710 -6.357 8.615 1.00 0.00 N ATOM 1635 CA GLU B 116 6.284 -7.343 7.689 1.00 0.00 C ATOM 1636 C GLU B 116 6.986 -6.638 6.558 1.00 0.00 C ATOM 1637 O GLU B 116 8.185 -6.821 6.342 1.00 0.00 O ATOM 1638 CB GLU B 116 5.174 -8.205 7.093 1.00 0.00 C ATOM 1639 CG GLU B 116 5.638 -9.082 5.948 1.00 0.00 C ATOM 1640 CD GLU B 116 4.517 -9.744 5.214 1.00 0.00 C ATOM 1641 OE1 GLU B 116 3.988 -9.134 4.262 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.166 -10.897 5.547 1.00 0.00 O ATOM 0 H GLU B 116 4.708 -6.474 8.766 1.00 0.00 H new ATOM 0 HA GLU B 116 6.989 -7.964 8.242 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.755 -8.836 7.877 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.371 -7.557 6.742 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.214 -8.477 5.247 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.310 -9.847 6.336 1.00 0.00 H new ATOM 1649 N ARG B 117 6.216 -5.850 5.840 1.00 0.00 N ATOM 1650 CA ARG B 117 6.712 -5.063 4.731 1.00 0.00 C ATOM 1651 C ARG B 117 7.851 -4.180 5.146 1.00 0.00 C ATOM 1652 O ARG B 117 8.738 -3.902 4.349 1.00 0.00 O ATOM 1653 CB ARG B 117 5.656 -4.165 4.169 1.00 0.00 C ATOM 1654 CG ARG B 117 4.527 -4.817 3.431 1.00 0.00 C ATOM 1655 CD ARG B 117 3.695 -3.727 2.800 1.00 0.00 C ATOM 1656 NE ARG B 117 3.140 -2.841 3.813 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.370 -1.536 3.991 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.239 -0.882 3.236 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.693 -0.889 4.900 1.00 0.00 N ATOM 0 H ARG B 117 5.217 -5.736 6.011 1.00 0.00 H new ATOM 0 HA ARG B 117 7.036 -5.787 3.983 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.233 -3.585 4.990 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.138 -3.458 3.494 1.00 0.00 H new ATOM 0 HG2 ARG B 117 4.911 -5.494 2.668 1.00 0.00 H new ATOM 0 HG3 ARG B 117 3.921 -5.414 4.112 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.308 -3.152 2.106 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.887 -4.172 2.219 1.00 0.00 H new ATOM 0 HE ARG B 117 2.492 -3.272 4.472 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.748 -1.374 2.502 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.399 0.114 3.389 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.999 -1.379 5.464 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.858 0.107 5.046 1.00 0.00 H new ATOM 1673 N HIS B 118 7.790 -3.707 6.362 1.00 0.00 N ATOM 1674 CA HIS B 118 8.801 -2.860 6.904 1.00 0.00 C ATOM 1675 C HIS B 118 10.077 -3.600 7.136 1.00 0.00 C ATOM 1676 O HIS B 118 11.126 -3.109 6.774 1.00 0.00 O ATOM 1677 CB HIS B 118 8.284 -2.050 8.092 1.00 0.00 C ATOM 1678 CG HIS B 118 7.391 -0.940 7.622 1.00 0.00 C ATOM 1679 ND1 HIS B 118 7.581 -0.316 6.407 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.220 -0.469 8.087 1.00 0.00 C ATOM 1681 CE1 HIS B 118 6.563 0.454 6.144 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.732 0.392 7.133 1.00 0.00 N ATOM 0 H HIS B 118 7.025 -3.906 7.006 1.00 0.00 H new ATOM 0 HA HIS B 118 9.061 -2.107 6.160 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.737 -2.701 8.773 1.00 0.00 H new ATOM 0 HB3 HIS B 118 9.124 -1.637 8.651 1.00 0.00 H new ATOM 0 HD2 HIS B 118 5.753 -0.719 9.028 1.00 0.00 H new ATOM 0 HE1 HIS B 118 6.435 1.045 5.249 1.00 0.00 H new ATOM 0 HE2 HIS B 118 4.851 0.903 7.195 1.00 0.00 H new ATOM 1691 N GLU B 119 9.983 -4.813 7.661 1.00 0.00 N ATOM 1692 CA GLU B 119 11.144 -5.679 7.744 1.00 0.00 C ATOM 1693 C GLU B 119 11.714 -5.907 6.365 1.00 0.00 C ATOM 1694 O GLU B 119 12.868 -5.641 6.137 1.00 0.00 O ATOM 1695 CB GLU B 119 10.830 -7.026 8.387 1.00 0.00 C ATOM 1696 CG GLU B 119 11.174 -7.118 9.856 1.00 0.00 C ATOM 1697 CD GLU B 119 10.319 -6.271 10.741 1.00 0.00 C ATOM 1698 OE1 GLU B 119 9.218 -6.721 11.124 1.00 0.00 O ATOM 1699 OE2 GLU B 119 10.743 -5.175 11.122 1.00 0.00 O ATOM 0 H GLU B 119 9.122 -5.215 8.032 1.00 0.00 H new ATOM 0 HA GLU B 119 11.871 -5.173 8.379 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.767 -7.234 8.263 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.372 -7.805 7.851 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.088 -8.157 10.173 1.00 0.00 H new ATOM 0 HG3 GLU B 119 12.216 -6.829 9.992 1.00 0.00 H new ATOM 1706 N GLU B 120 10.862 -6.347 5.452 1.00 0.00 N ATOM 1707 CA GLU B 120 11.235 -6.624 4.059 1.00 0.00 C ATOM 1708 C GLU B 120 11.981 -5.452 3.429 1.00 0.00 C ATOM 1709 O GLU B 120 13.087 -5.615 2.926 1.00 0.00 O ATOM 1710 CB GLU B 120 9.995 -6.937 3.201 1.00 0.00 C ATOM 1711 CG GLU B 120 9.190 -8.145 3.649 1.00 0.00 C ATOM 1712 CD GLU B 120 9.997 -9.413 3.662 1.00 0.00 C ATOM 1713 OE1 GLU B 120 10.070 -10.094 2.627 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.568 -9.756 4.711 1.00 0.00 O ATOM 0 H GLU B 120 9.878 -6.526 5.652 1.00 0.00 H new ATOM 0 HA GLU B 120 11.892 -7.493 4.084 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.342 -6.064 3.202 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.315 -7.095 2.171 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.795 -7.962 4.648 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.334 -8.272 2.986 1.00 0.00 H new ATOM 1721 N ALA B 121 11.391 -4.277 3.515 1.00 0.00 N ATOM 1722 CA ALA B 121 11.932 -3.090 2.880 1.00 0.00 C ATOM 1723 C ALA B 121 13.144 -2.532 3.602 1.00 0.00 C ATOM 1724 O ALA B 121 14.037 -1.947 2.978 1.00 0.00 O ATOM 1725 CB ALA B 121 10.871 -2.023 2.737 1.00 0.00 C ATOM 0 H ALA B 121 10.523 -4.117 4.027 1.00 0.00 H new ATOM 0 HA ALA B 121 12.266 -3.399 1.889 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.302 -1.144 2.258 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.052 -2.404 2.127 1.00 0.00 H new ATOM 0 HB3 ALA B 121 10.493 -1.751 3.723 1.00 0.00 H new