USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 605 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 Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -172:sc=-0.00167 (180deg=-0.0885) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.35) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -3.1! C(o=-3.1!,f=-6.3!) USER MOD Single : A 28 HIS : no HD1:sc= 0.589 K(o=0.59,f=-5.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -120:sc= 0.186 USER MOD Single : A 36 SER OG : rot 180:sc= -1.89! USER MOD Single : A 37 MET CE :methyl -168:sc= 0 (180deg=-0.159) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 138:sc= 0.87 (180deg=0.145) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.186 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00805 K(o=-0.008,f=-1.1) USER MOD Single : A 54 SER OG : rot -30:sc= -1.45! USER MOD Single : A 65 ASN : amide:sc= -1.07 K(o=-1.1,f=-3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 167:sc= -2.09! (180deg=-2.62!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc=-0.00764 K(o=-0.0076,f=-0.99) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 0.621 2.233 0.840 1.00 0.00 N ATOM 158 CA TYR A 14 -0.297 1.562 1.722 1.00 0.00 C ATOM 159 C TYR A 14 -0.534 0.158 1.239 1.00 0.00 C ATOM 160 O TYR A 14 -0.342 -0.143 0.062 1.00 0.00 O ATOM 161 CB TYR A 14 -1.619 2.323 1.843 1.00 0.00 C ATOM 162 CG TYR A 14 -1.497 3.665 2.533 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.188 4.818 1.823 1.00 0.00 C ATOM 164 CD2 TYR A 14 -1.698 3.772 3.901 1.00 0.00 C ATOM 165 CE1 TYR A 14 -1.081 6.038 2.461 1.00 0.00 C ATOM 166 CE2 TYR A 14 -1.594 4.986 4.544 1.00 0.00 C ATOM 167 CZ TYR A 14 -1.286 6.115 3.823 1.00 0.00 C ATOM 168 OH TYR A 14 -1.180 7.324 4.467 1.00 0.00 O ATOM 0 HA TYR A 14 0.149 1.527 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.031 2.475 0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.332 1.707 2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.029 4.760 0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.940 2.888 4.472 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.838 6.927 1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.754 5.050 5.610 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.356 7.202 5.423 1.00 0.00 H new ATOM 178 N ILE A 15 -0.946 -0.692 2.131 1.00 0.00 N ATOM 179 CA ILE A 15 -1.145 -2.081 1.821 1.00 0.00 C ATOM 180 C ILE A 15 -2.613 -2.410 1.954 1.00 0.00 C ATOM 181 O ILE A 15 -3.374 -1.670 2.574 1.00 0.00 O ATOM 182 CB ILE A 15 -0.360 -2.985 2.787 1.00 0.00 C ATOM 183 CG1 ILE A 15 -1.066 -3.050 4.133 1.00 0.00 C ATOM 184 CG2 ILE A 15 1.051 -2.476 2.948 1.00 0.00 C ATOM 185 CD1 ILE A 15 -0.363 -3.908 5.151 1.00 0.00 C ATOM 0 H ILE A 15 -1.155 -0.444 3.098 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.792 -2.257 0.805 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.315 -3.992 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.164 -2.040 4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.075 -3.433 3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.596 -3.125 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.549 -2.473 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.029 -1.462 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.928 -3.903 6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.288 -4.929 4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.637 -3.514 5.331 1.00 0.00 H new ATOM 197 N LYS A 16 -3.013 -3.480 1.371 1.00 0.00 N ATOM 198 CA LYS A 16 -4.380 -3.882 1.450 1.00 0.00 C ATOM 199 C LYS A 16 -4.527 -5.024 2.434 1.00 0.00 C ATOM 200 O LYS A 16 -3.653 -5.863 2.553 1.00 0.00 O ATOM 201 CB LYS A 16 -4.873 -4.293 0.090 1.00 0.00 C ATOM 202 CG LYS A 16 -6.381 -4.431 0.001 1.00 0.00 C ATOM 203 CD LYS A 16 -6.831 -4.905 -1.377 1.00 0.00 C ATOM 204 CE LYS A 16 -6.583 -3.863 -2.459 1.00 0.00 C ATOM 205 NZ LYS A 16 -7.438 -2.656 -2.291 1.00 0.00 N ATOM 0 H LYS A 16 -2.413 -4.101 0.829 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.980 -3.042 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.541 -3.559 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.414 -5.244 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.726 -5.136 0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.847 -3.471 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.302 -5.823 -1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.893 -5.147 -1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.534 -3.567 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.773 -4.306 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.333 -2.038 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.433 -2.945 -2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.146 -2.140 -1.436 1.00 0.00 H new ATOM 219 N ILE A 17 -5.592 -5.017 3.155 1.00 0.00 N ATOM 220 CA ILE A 17 -5.883 -6.066 4.101 1.00 0.00 C ATOM 221 C ILE A 17 -7.218 -6.688 3.813 1.00 0.00 C ATOM 222 O ILE A 17 -8.226 -5.986 3.668 1.00 0.00 O ATOM 223 CB ILE A 17 -5.848 -5.563 5.559 1.00 0.00 C ATOM 224 CG1 ILE A 17 -4.438 -5.102 5.938 1.00 0.00 C ATOM 225 CG2 ILE A 17 -6.350 -6.631 6.518 1.00 0.00 C ATOM 226 CD1 ILE A 17 -3.388 -6.199 5.871 1.00 0.00 C ATOM 0 H ILE A 17 -6.299 -4.283 3.114 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.101 -6.817 3.987 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.517 -4.706 5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.142 -4.290 5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.460 -4.696 6.949 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.314 -6.249 7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.377 -6.894 6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.719 -7.516 6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.417 -5.791 6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.657 -7.003 6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.335 -6.590 4.855 1.00 0.00 H new ATOM 238 N LYS A 18 -7.231 -7.995 3.705 1.00 0.00 N ATOM 239 CA LYS A 18 -8.452 -8.694 3.492 1.00 0.00 C ATOM 240 C LYS A 18 -8.895 -9.294 4.819 1.00 0.00 C ATOM 241 O LYS A 18 -8.335 -10.290 5.284 1.00 0.00 O ATOM 242 CB LYS A 18 -8.279 -9.798 2.437 1.00 0.00 C ATOM 243 CG LYS A 18 -7.310 -9.444 1.293 1.00 0.00 C ATOM 244 CD LYS A 18 -7.422 -10.423 0.138 1.00 0.00 C ATOM 245 CE LYS A 18 -6.875 -11.787 0.489 1.00 0.00 C ATOM 246 NZ LYS A 18 -6.951 -12.717 -0.662 1.00 0.00 N ATOM 0 H LYS A 18 -6.402 -8.587 3.763 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.208 -8.003 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.923 -10.702 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.255 -10.031 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.521 -8.436 0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.287 -9.442 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.467 -10.518 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.883 -10.028 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.839 -11.692 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.435 -12.199 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.567 -13.643 -0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.943 -12.826 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.396 -12.335 -1.454 1.00 0.00 H new ATOM 260 N VAL A 19 -9.876 -8.671 5.429 1.00 0.00 N ATOM 261 CA VAL A 19 -10.403 -9.108 6.698 1.00 0.00 C ATOM 262 C VAL A 19 -11.392 -10.237 6.484 1.00 0.00 C ATOM 263 O VAL A 19 -12.369 -10.065 5.780 1.00 0.00 O ATOM 264 CB VAL A 19 -11.130 -7.943 7.413 1.00 0.00 C ATOM 265 CG1 VAL A 19 -11.781 -8.418 8.690 1.00 0.00 C ATOM 266 CG2 VAL A 19 -10.177 -6.784 7.693 1.00 0.00 C ATOM 0 H VAL A 19 -10.334 -7.840 5.054 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.571 -9.450 7.313 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.911 -7.580 6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.285 -7.582 9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.508 -9.196 8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.020 -8.819 9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.717 -5.982 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.363 -7.128 8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.769 -6.413 6.753 1.00 0.00 H new ATOM 276 N VAL A 20 -11.132 -11.378 7.096 1.00 0.00 N ATOM 277 CA VAL A 20 -12.006 -12.529 6.970 1.00 0.00 C ATOM 278 C VAL A 20 -12.730 -12.791 8.289 1.00 0.00 C ATOM 279 O VAL A 20 -12.102 -12.993 9.334 1.00 0.00 O ATOM 280 CB VAL A 20 -11.217 -13.797 6.555 1.00 0.00 C ATOM 281 CG1 VAL A 20 -12.147 -14.997 6.425 1.00 0.00 C ATOM 282 CG2 VAL A 20 -10.464 -13.559 5.253 1.00 0.00 C ATOM 0 H VAL A 20 -10.317 -11.532 7.689 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.734 -12.305 6.190 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.490 -14.014 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.570 -15.874 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.634 -15.185 7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.903 -14.791 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.917 -14.461 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.173 -13.311 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.763 -12.735 5.384 1.00 0.00 H new ATOM 292 N GLY A 21 -14.049 -12.768 8.233 1.00 0.00 N ATOM 293 CA GLY A 21 -14.854 -12.990 9.420 1.00 0.00 C ATOM 294 C GLY A 21 -15.215 -14.452 9.626 1.00 0.00 C ATOM 295 O GLY A 21 -14.768 -15.319 8.877 1.00 0.00 O ATOM 0 H GLY A 21 -14.584 -12.598 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -14.311 -12.629 10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.769 -12.402 9.347 1.00 0.00 H new ATOM 299 N GLN A 22 -16.051 -14.711 10.625 1.00 0.00 N ATOM 300 CA GLN A 22 -16.446 -16.076 10.991 1.00 0.00 C ATOM 301 C GLN A 22 -17.218 -16.780 9.890 1.00 0.00 C ATOM 302 O GLN A 22 -17.031 -17.970 9.654 1.00 0.00 O ATOM 303 CB GLN A 22 -17.249 -16.085 12.287 1.00 0.00 C ATOM 304 CG GLN A 22 -16.432 -15.759 13.527 1.00 0.00 C ATOM 305 CD GLN A 22 -15.326 -16.768 13.774 1.00 0.00 C ATOM 306 OE1 GLN A 22 -14.196 -16.586 13.333 1.00 0.00 O ATOM 307 NE2 GLN A 22 -15.649 -17.840 14.469 1.00 0.00 N ATOM 0 H GLN A 22 -16.475 -13.987 11.205 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.521 -16.632 11.142 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -18.063 -15.365 12.202 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.704 -17.067 12.413 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.996 -14.766 13.421 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -17.091 -15.727 14.395 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.601 -17.954 14.818 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.947 -18.556 14.658 1.00 0.00 H new ATOM 316 N ASP A 23 -18.072 -16.051 9.213 1.00 0.00 N ATOM 317 CA ASP A 23 -18.851 -16.611 8.121 1.00 0.00 C ATOM 318 C ASP A 23 -18.054 -16.505 6.837 1.00 0.00 C ATOM 319 O ASP A 23 -18.609 -16.522 5.739 1.00 0.00 O ATOM 320 CB ASP A 23 -20.180 -15.866 7.974 1.00 0.00 C ATOM 321 CG ASP A 23 -21.040 -15.930 9.217 1.00 0.00 C ATOM 322 OD1 ASP A 23 -21.763 -16.929 9.393 1.00 0.00 O ATOM 323 OD2 ASP A 23 -21.002 -14.981 10.024 1.00 0.00 O ATOM 0 H ASP A 23 -18.250 -15.063 9.396 1.00 0.00 H new ATOM 0 HA ASP A 23 -19.066 -17.658 8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.979 -14.822 7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.734 -16.287 7.135 1.00 0.00 H new ATOM 328 N SER A 24 -16.727 -16.389 7.001 1.00 0.00 N ATOM 329 CA SER A 24 -15.797 -16.237 5.893 1.00 0.00 C ATOM 330 C SER A 24 -16.043 -14.917 5.192 1.00 0.00 C ATOM 331 O SER A 24 -15.808 -14.778 3.994 1.00 0.00 O ATOM 332 CB SER A 24 -15.925 -17.408 4.910 1.00 0.00 C ATOM 333 OG SER A 24 -15.658 -18.649 5.557 1.00 0.00 O ATOM 0 H SER A 24 -16.276 -16.399 7.916 1.00 0.00 H new ATOM 0 HA SER A 24 -14.780 -16.241 6.286 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.929 -17.423 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.231 -17.269 4.081 1.00 0.00 H new ATOM 0 HG SER A 24 -15.747 -19.381 4.911 1.00 0.00 H new ATOM 339 N ASN A 25 -16.475 -13.932 5.968 1.00 0.00 N ATOM 340 CA ASN A 25 -16.785 -12.615 5.418 1.00 0.00 C ATOM 341 C ASN A 25 -15.515 -11.847 5.194 1.00 0.00 C ATOM 342 O ASN A 25 -14.889 -11.396 6.139 1.00 0.00 O ATOM 343 CB ASN A 25 -17.679 -11.810 6.363 1.00 0.00 C ATOM 344 CG ASN A 25 -18.921 -12.547 6.782 1.00 0.00 C ATOM 345 OD1 ASN A 25 -18.942 -13.177 7.835 1.00 0.00 O ATOM 346 ND2 ASN A 25 -19.959 -12.477 5.970 1.00 0.00 N ATOM 0 H ASN A 25 -16.619 -14.017 6.974 1.00 0.00 H new ATOM 0 HA ASN A 25 -17.313 -12.767 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.107 -11.542 7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.965 -10.878 5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.826 -12.959 6.208 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.894 -11.941 5.105 1.00 0.00 H new ATOM 353 N GLU A 26 -15.133 -11.705 3.965 1.00 0.00 N ATOM 354 CA GLU A 26 -13.931 -10.991 3.639 1.00 0.00 C ATOM 355 C GLU A 26 -14.242 -9.597 3.113 1.00 0.00 C ATOM 356 O GLU A 26 -15.145 -9.410 2.295 1.00 0.00 O ATOM 357 CB GLU A 26 -13.082 -11.774 2.647 1.00 0.00 C ATOM 358 CG GLU A 26 -11.806 -11.062 2.231 1.00 0.00 C ATOM 359 CD GLU A 26 -11.002 -11.848 1.228 1.00 0.00 C ATOM 360 OE1 GLU A 26 -10.828 -11.359 0.086 1.00 0.00 O ATOM 361 OE2 GLU A 26 -10.543 -12.951 1.564 1.00 0.00 O ATOM 0 H GLU A 26 -15.639 -12.076 3.161 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.354 -10.877 4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.822 -12.737 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.678 -11.980 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.059 -10.090 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.195 -10.875 3.114 1.00 0.00 H new ATOM 368 N VAL A 27 -13.510 -8.627 3.613 1.00 0.00 N ATOM 369 CA VAL A 27 -13.648 -7.245 3.197 1.00 0.00 C ATOM 370 C VAL A 27 -12.270 -6.643 3.002 1.00 0.00 C ATOM 371 O VAL A 27 -11.338 -6.955 3.748 1.00 0.00 O ATOM 372 CB VAL A 27 -14.475 -6.415 4.217 1.00 0.00 C ATOM 373 CG1 VAL A 27 -13.826 -6.431 5.583 1.00 0.00 C ATOM 374 CG2 VAL A 27 -14.677 -4.984 3.728 1.00 0.00 C ATOM 0 H VAL A 27 -12.795 -8.774 4.326 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.194 -7.220 2.254 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.457 -6.880 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.425 -5.842 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.759 -7.458 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.825 -6.004 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.259 -4.427 4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.707 -4.505 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.209 -4.996 2.777 1.00 0.00 H new ATOM 384 N HIS A 28 -12.130 -5.813 1.992 1.00 0.00 N ATOM 385 CA HIS A 28 -10.837 -5.252 1.669 1.00 0.00 C ATOM 386 C HIS A 28 -10.702 -3.830 2.164 1.00 0.00 C ATOM 387 O HIS A 28 -11.414 -2.931 1.723 1.00 0.00 O ATOM 388 CB HIS A 28 -10.584 -5.308 0.159 1.00 0.00 C ATOM 389 CG HIS A 28 -10.401 -6.697 -0.382 1.00 0.00 C ATOM 390 ND1 HIS A 28 -10.011 -6.957 -1.679 1.00 0.00 N ATOM 391 CD2 HIS A 28 -10.570 -7.908 0.201 1.00 0.00 C ATOM 392 CE1 HIS A 28 -9.952 -8.266 -1.865 1.00 0.00 C ATOM 393 NE2 HIS A 28 -10.286 -8.860 -0.738 1.00 0.00 N ATOM 0 H HIS A 28 -12.891 -5.513 1.383 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.087 -5.857 2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -11.421 -4.837 -0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.696 -4.720 -0.072 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.874 -8.088 1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.677 -8.762 -2.784 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.326 -9.868 -0.590 1.00 0.00 H new ATOM 401 N PHE A 29 -9.797 -3.643 3.091 1.00 0.00 N ATOM 402 CA PHE A 29 -9.471 -2.329 3.605 1.00 0.00 C ATOM 403 C PHE A 29 -8.042 -1.970 3.264 1.00 0.00 C ATOM 404 O PHE A 29 -7.182 -2.843 3.168 1.00 0.00 O ATOM 405 CB PHE A 29 -9.667 -2.253 5.120 1.00 0.00 C ATOM 406 CG PHE A 29 -11.100 -2.215 5.567 1.00 0.00 C ATOM 407 CD1 PHE A 29 -11.710 -3.332 6.110 1.00 0.00 C ATOM 408 CD2 PHE A 29 -11.837 -1.046 5.451 1.00 0.00 C ATOM 409 CE1 PHE A 29 -13.025 -3.281 6.528 1.00 0.00 C ATOM 410 CE2 PHE A 29 -13.152 -0.993 5.865 1.00 0.00 C ATOM 411 CZ PHE A 29 -13.747 -2.112 6.405 1.00 0.00 C ATOM 0 H PHE A 29 -9.260 -4.400 3.515 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.150 -1.617 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.180 -3.113 5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.160 -1.363 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.153 -4.252 6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.375 -0.165 5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.490 -4.159 6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -13.714 -0.076 5.766 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.776 -2.074 6.731 1.00 0.00 H new ATOM 421 N ARG A 30 -7.790 -0.697 3.060 1.00 0.00 N ATOM 422 CA ARG A 30 -6.453 -0.240 2.772 1.00 0.00 C ATOM 423 C ARG A 30 -5.857 0.400 4.021 1.00 0.00 C ATOM 424 O ARG A 30 -6.395 1.374 4.552 1.00 0.00 O ATOM 425 CB ARG A 30 -6.448 0.760 1.615 1.00 0.00 C ATOM 426 CG ARG A 30 -5.055 1.176 1.190 1.00 0.00 C ATOM 427 CD ARG A 30 -4.373 0.094 0.363 1.00 0.00 C ATOM 428 NE ARG A 30 -4.851 0.057 -1.021 1.00 0.00 N ATOM 429 CZ ARG A 30 -4.408 -0.802 -1.943 1.00 0.00 C ATOM 430 NH1 ARG A 30 -3.510 -1.719 -1.617 1.00 0.00 N ATOM 431 NH2 ARG A 30 -4.859 -0.735 -3.189 1.00 0.00 N ATOM 0 H ARG A 30 -8.495 0.040 3.089 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.849 -1.097 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.965 0.321 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.011 1.646 1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.111 2.097 0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.454 1.392 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.296 0.263 0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.545 -0.876 0.829 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.567 0.729 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.156 -1.770 -0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.172 -2.375 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.546 -0.026 -3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.519 -1.392 -3.891 1.00 0.00 H new ATOM 445 N VAL A 31 -4.759 -0.150 4.472 1.00 0.00 N ATOM 446 CA VAL A 31 -4.082 0.313 5.677 1.00 0.00 C ATOM 447 C VAL A 31 -2.590 0.413 5.412 1.00 0.00 C ATOM 448 O VAL A 31 -2.120 0.021 4.360 1.00 0.00 O ATOM 449 CB VAL A 31 -4.323 -0.627 6.882 1.00 0.00 C ATOM 450 CG1 VAL A 31 -5.808 -0.739 7.203 1.00 0.00 C ATOM 451 CG2 VAL A 31 -3.719 -1.990 6.634 1.00 0.00 C ATOM 0 H VAL A 31 -4.299 -0.938 4.017 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.494 1.290 5.930 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.826 -0.191 7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.947 -1.406 8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.203 0.247 7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.338 -1.139 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.902 -2.632 7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.174 -2.434 5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.645 -1.889 6.479 1.00 0.00 H new ATOM 461 N LYS A 32 -1.864 0.958 6.335 1.00 0.00 N ATOM 462 CA LYS A 32 -0.437 1.101 6.178 1.00 0.00 C ATOM 463 C LYS A 32 0.265 -0.135 6.728 1.00 0.00 C ATOM 464 O LYS A 32 -0.332 -0.898 7.482 1.00 0.00 O ATOM 465 CB LYS A 32 0.044 2.341 6.921 1.00 0.00 C ATOM 466 CG LYS A 32 1.361 2.894 6.403 1.00 0.00 C ATOM 467 CD LYS A 32 1.745 4.167 7.127 1.00 0.00 C ATOM 468 CE LYS A 32 3.014 4.772 6.550 1.00 0.00 C ATOM 469 NZ LYS A 32 3.386 6.033 7.232 1.00 0.00 N ATOM 0 H LYS A 32 -2.232 1.317 7.216 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.202 1.207 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.719 3.116 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.153 2.100 7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.146 2.149 6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.280 3.091 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.931 4.888 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.890 3.955 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.831 4.056 6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.874 4.963 5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.257 6.413 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.618 6.726 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.545 5.847 8.243 1.00 0.00 H new ATOM 483 N TYR A 33 1.523 -0.331 6.350 1.00 0.00 N ATOM 484 CA TYR A 33 2.322 -1.426 6.904 1.00 0.00 C ATOM 485 C TYR A 33 2.361 -1.316 8.430 1.00 0.00 C ATOM 486 O TYR A 33 2.267 -2.313 9.137 1.00 0.00 O ATOM 487 CB TYR A 33 3.770 -1.352 6.389 1.00 0.00 C ATOM 488 CG TYR A 33 3.974 -1.702 4.929 1.00 0.00 C ATOM 489 CD1 TYR A 33 3.940 -0.722 3.942 1.00 0.00 C ATOM 490 CD2 TYR A 33 4.227 -3.014 4.541 1.00 0.00 C ATOM 491 CE1 TYR A 33 4.149 -1.040 2.611 1.00 0.00 C ATOM 492 CE2 TYR A 33 4.435 -3.341 3.213 1.00 0.00 C ATOM 493 CZ TYR A 33 4.397 -2.353 2.252 1.00 0.00 C ATOM 494 OH TYR A 33 4.604 -2.677 0.923 1.00 0.00 O ATOM 0 H TYR A 33 2.012 0.248 5.667 1.00 0.00 H new ATOM 0 HA TYR A 33 1.866 -2.367 6.596 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.143 -0.341 6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.384 -2.021 6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.747 0.304 4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.262 -3.791 5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.119 -0.267 1.857 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.626 -4.366 2.930 1.00 0.00 H new ATOM 0 HH TYR A 33 4.766 -3.640 0.842 1.00 0.00 H new ATOM 504 N GLY A 34 2.481 -0.088 8.920 1.00 0.00 N ATOM 505 CA GLY A 34 2.550 0.155 10.344 1.00 0.00 C ATOM 506 C GLY A 34 1.235 0.633 10.910 1.00 0.00 C ATOM 507 O GLY A 34 1.206 1.467 11.822 1.00 0.00 O ATOM 0 H GLY A 34 2.532 0.753 8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.850 -0.762 10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.321 0.898 10.546 1.00 0.00 H new ATOM 511 N THR A 35 0.148 0.155 10.338 1.00 0.00 N ATOM 512 CA THR A 35 -1.159 0.492 10.805 1.00 0.00 C ATOM 513 C THR A 35 -1.451 -0.118 12.183 1.00 0.00 C ATOM 514 O THR A 35 -1.183 -1.295 12.436 1.00 0.00 O ATOM 515 CB THR A 35 -2.229 0.091 9.772 1.00 0.00 C ATOM 516 OG1 THR A 35 -2.555 1.220 8.945 1.00 0.00 O ATOM 517 CG2 THR A 35 -3.477 -0.472 10.424 1.00 0.00 C ATOM 0 H THR A 35 0.158 -0.477 9.537 1.00 0.00 H new ATOM 0 HA THR A 35 -1.196 1.575 10.926 1.00 0.00 H new ATOM 0 HB THR A 35 -1.811 -0.703 9.154 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.508 1.428 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.201 -0.740 9.654 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.217 -1.359 11.002 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.912 0.277 11.086 1.00 0.00 H new ATOM 525 N SER A 36 -1.985 0.709 13.061 1.00 0.00 N ATOM 526 CA SER A 36 -2.312 0.311 14.407 1.00 0.00 C ATOM 527 C SER A 36 -3.613 -0.475 14.423 1.00 0.00 C ATOM 528 O SER A 36 -4.405 -0.384 13.488 1.00 0.00 O ATOM 529 CB SER A 36 -2.436 1.552 15.287 1.00 0.00 C ATOM 530 OG SER A 36 -3.563 2.332 14.922 1.00 0.00 O ATOM 0 H SER A 36 -2.204 1.683 12.853 1.00 0.00 H new ATOM 0 HA SER A 36 -1.519 -0.328 14.795 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.521 1.253 16.332 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.531 2.154 15.201 1.00 0.00 H new ATOM 0 HG SER A 36 -3.618 3.119 15.503 1.00 0.00 H new ATOM 536 N MET A 37 -3.847 -1.217 15.498 1.00 0.00 N ATOM 537 CA MET A 37 -5.075 -2.010 15.622 1.00 0.00 C ATOM 538 C MET A 37 -6.312 -1.117 15.558 1.00 0.00 C ATOM 539 O MET A 37 -7.353 -1.517 15.042 1.00 0.00 O ATOM 540 CB MET A 37 -5.091 -2.785 16.942 1.00 0.00 C ATOM 541 CG MET A 37 -5.251 -1.905 18.176 1.00 0.00 C ATOM 542 SD MET A 37 -5.343 -2.844 19.707 1.00 0.00 S ATOM 543 CE MET A 37 -5.572 -1.522 20.888 1.00 0.00 C ATOM 0 H MET A 37 -3.212 -1.290 16.293 1.00 0.00 H new ATOM 0 HA MET A 37 -5.094 -2.712 14.788 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.906 -3.509 16.917 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.164 -3.351 17.030 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.411 -1.212 18.232 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.154 -1.304 18.071 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.435 -1.909 21.898 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.842 -0.735 20.699 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.578 -1.115 20.788 1.00 0.00 H new ATOM 553 N ALA A 38 -6.174 0.101 16.058 1.00 0.00 N ATOM 554 CA ALA A 38 -7.274 1.043 16.121 1.00 0.00 C ATOM 555 C ALA A 38 -7.791 1.389 14.743 1.00 0.00 C ATOM 556 O ALA A 38 -8.985 1.538 14.549 1.00 0.00 O ATOM 557 CB ALA A 38 -6.864 2.300 16.864 1.00 0.00 C ATOM 0 H ALA A 38 -5.296 0.462 16.431 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.084 0.562 16.669 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.705 2.993 16.899 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.565 2.041 17.880 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.027 2.771 16.348 1.00 0.00 H new ATOM 563 N LYS A 39 -6.886 1.486 13.789 1.00 0.00 N ATOM 564 CA LYS A 39 -7.235 1.905 12.439 1.00 0.00 C ATOM 565 C LYS A 39 -8.253 0.945 11.824 1.00 0.00 C ATOM 566 O LYS A 39 -9.198 1.368 11.170 1.00 0.00 O ATOM 567 CB LYS A 39 -5.972 1.943 11.572 1.00 0.00 C ATOM 568 CG LYS A 39 -4.881 2.871 12.116 1.00 0.00 C ATOM 569 CD LYS A 39 -5.305 4.326 12.113 1.00 0.00 C ATOM 570 CE LYS A 39 -5.464 4.846 10.708 1.00 0.00 C ATOM 571 NZ LYS A 39 -5.829 6.281 10.691 1.00 0.00 N ATOM 0 H LYS A 39 -5.896 1.280 13.922 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.679 2.899 12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.569 0.934 11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.242 2.264 10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.627 2.572 13.133 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.978 2.757 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.246 4.434 12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.564 4.924 12.643 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.533 4.701 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.232 4.270 10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.929 6.602 9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.730 6.416 11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.084 6.834 11.161 1.00 0.00 H new ATOM 585 N LEU A 40 -8.060 -0.343 12.057 1.00 0.00 N ATOM 586 CA LEU A 40 -8.957 -1.355 11.516 1.00 0.00 C ATOM 587 C LEU A 40 -10.148 -1.633 12.436 1.00 0.00 C ATOM 588 O LEU A 40 -11.281 -1.703 11.980 1.00 0.00 O ATOM 589 CB LEU A 40 -8.217 -2.664 11.167 1.00 0.00 C ATOM 590 CG LEU A 40 -7.237 -3.218 12.214 1.00 0.00 C ATOM 591 CD1 LEU A 40 -7.130 -4.722 12.078 1.00 0.00 C ATOM 592 CD2 LEU A 40 -5.866 -2.606 12.019 1.00 0.00 C ATOM 0 H LEU A 40 -7.292 -0.714 12.616 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.351 -0.939 10.589 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.965 -3.431 10.965 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.666 -2.504 10.240 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.611 -2.966 13.206 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.434 -5.106 12.823 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.111 -5.172 12.232 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.768 -4.972 11.081 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.180 -3.005 12.766 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.498 -2.848 11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.932 -1.524 12.129 1.00 0.00 H new ATOM 604 N LYS A 41 -9.881 -1.790 13.728 1.00 0.00 N ATOM 605 CA LYS A 41 -10.921 -2.125 14.707 1.00 0.00 C ATOM 606 C LYS A 41 -11.964 -1.050 14.802 1.00 0.00 C ATOM 607 O LYS A 41 -13.154 -1.335 14.797 1.00 0.00 O ATOM 608 CB LYS A 41 -10.282 -2.350 16.059 1.00 0.00 C ATOM 609 CG LYS A 41 -9.454 -3.608 16.125 1.00 0.00 C ATOM 610 CD LYS A 41 -8.582 -3.631 17.349 1.00 0.00 C ATOM 611 CE LYS A 41 -9.397 -3.727 18.634 1.00 0.00 C ATOM 612 NZ LYS A 41 -8.528 -3.797 19.836 1.00 0.00 N ATOM 0 H LYS A 41 -8.948 -1.691 14.128 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.420 -3.035 14.375 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.651 -1.495 16.302 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.062 -2.396 16.819 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.111 -4.477 16.129 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.832 -3.683 15.233 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.898 -4.478 17.290 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.971 -2.729 17.375 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.056 -2.862 18.712 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.034 -4.610 18.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.923 -3.195 20.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.478 -4.780 20.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.573 -3.465 19.593 1.00 0.00 H new ATOM 626 N LYS A 42 -11.519 0.175 14.865 1.00 0.00 N ATOM 627 CA LYS A 42 -12.422 1.307 14.890 1.00 0.00 C ATOM 628 C LYS A 42 -13.231 1.340 13.611 1.00 0.00 C ATOM 629 O LYS A 42 -14.429 1.580 13.629 1.00 0.00 O ATOM 630 CB LYS A 42 -11.639 2.614 15.044 1.00 0.00 C ATOM 631 CG LYS A 42 -12.497 3.871 15.060 1.00 0.00 C ATOM 632 CD LYS A 42 -11.648 5.119 15.277 1.00 0.00 C ATOM 633 CE LYS A 42 -10.702 5.367 14.107 1.00 0.00 C ATOM 634 NZ LYS A 42 -9.895 6.600 14.294 1.00 0.00 N ATOM 0 H LYS A 42 -10.530 0.422 14.900 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.094 1.202 15.742 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.065 2.571 15.969 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.922 2.690 14.227 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.038 3.956 14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.243 3.794 15.851 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.299 5.984 15.409 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.071 5.012 16.195 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.036 4.512 13.992 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.279 5.448 13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.266 6.731 13.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.529 7.420 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.324 6.514 15.159 1.00 0.00 H new ATOM 648 N SER A 43 -12.553 1.080 12.508 1.00 0.00 N ATOM 649 CA SER A 43 -13.159 1.150 11.191 1.00 0.00 C ATOM 650 C SER A 43 -14.199 0.032 10.965 1.00 0.00 C ATOM 651 O SER A 43 -15.342 0.299 10.561 1.00 0.00 O ATOM 652 CB SER A 43 -12.056 1.085 10.121 1.00 0.00 C ATOM 653 OG SER A 43 -12.592 1.194 8.812 1.00 0.00 O ATOM 0 H SER A 43 -11.568 0.815 12.500 1.00 0.00 H new ATOM 0 HA SER A 43 -13.694 2.096 11.115 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.338 1.887 10.289 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.512 0.145 10.215 1.00 0.00 H new ATOM 0 HG SER A 43 -11.865 1.150 8.156 1.00 0.00 H new ATOM 659 N TYR A 44 -13.801 -1.209 11.230 1.00 0.00 N ATOM 660 CA TYR A 44 -14.667 -2.354 11.023 1.00 0.00 C ATOM 661 C TYR A 44 -15.827 -2.367 11.994 1.00 0.00 C ATOM 662 O TYR A 44 -16.979 -2.543 11.591 1.00 0.00 O ATOM 663 CB TYR A 44 -13.874 -3.636 11.156 1.00 0.00 C ATOM 664 CG TYR A 44 -14.646 -4.860 10.756 1.00 0.00 C ATOM 665 CD1 TYR A 44 -14.586 -5.332 9.460 1.00 0.00 C ATOM 666 CD2 TYR A 44 -15.452 -5.532 11.664 1.00 0.00 C ATOM 667 CE1 TYR A 44 -15.301 -6.434 9.073 1.00 0.00 C ATOM 668 CE2 TYR A 44 -16.172 -6.643 11.287 1.00 0.00 C ATOM 669 CZ TYR A 44 -16.092 -7.090 9.985 1.00 0.00 C ATOM 670 OH TYR A 44 -16.816 -8.186 9.588 1.00 0.00 O ATOM 0 H TYR A 44 -12.876 -1.443 11.591 1.00 0.00 H new ATOM 0 HA TYR A 44 -15.076 -2.277 10.016 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -12.977 -3.565 10.541 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.545 -3.745 12.189 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -13.964 -4.823 8.738 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -15.515 -5.178 12.682 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -15.243 -6.786 8.054 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -16.793 -7.159 12.004 1.00 0.00 H new ATOM 0 HH TYR A 44 -17.323 -8.537 10.350 1.00 0.00 H new ATOM 680 N ALA A 45 -15.528 -2.167 13.273 1.00 0.00 N ATOM 681 CA ALA A 45 -16.560 -2.160 14.305 1.00 0.00 C ATOM 682 C ALA A 45 -17.561 -1.063 14.017 1.00 0.00 C ATOM 683 O ALA A 45 -18.740 -1.159 14.358 1.00 0.00 O ATOM 684 CB ALA A 45 -15.952 -1.973 15.687 1.00 0.00 C ATOM 0 H ALA A 45 -14.582 -2.008 13.620 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.069 -3.124 14.293 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.744 -1.972 16.436 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -15.259 -2.789 15.893 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.417 -1.024 15.724 1.00 0.00 H new ATOM 690 N ASP A 46 -17.073 -0.031 13.380 1.00 0.00 N ATOM 691 CA ASP A 46 -17.878 1.122 13.014 1.00 0.00 C ATOM 692 C ASP A 46 -18.982 0.751 12.039 1.00 0.00 C ATOM 693 O ASP A 46 -20.133 1.130 12.230 1.00 0.00 O ATOM 694 CB ASP A 46 -17.000 2.187 12.382 1.00 0.00 C ATOM 695 CG ASP A 46 -17.755 3.442 12.034 1.00 0.00 C ATOM 696 OD1 ASP A 46 -18.209 3.565 10.877 1.00 0.00 O ATOM 697 OD2 ASP A 46 -17.886 4.322 12.909 1.00 0.00 O ATOM 0 H ASP A 46 -16.096 0.041 13.094 1.00 0.00 H new ATOM 0 HA ASP A 46 -18.337 1.502 13.927 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.190 2.435 13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.542 1.783 11.479 1.00 0.00 H new ATOM 702 N ARG A 47 -18.634 -0.013 10.999 1.00 0.00 N ATOM 703 CA ARG A 47 -19.601 -0.345 9.954 1.00 0.00 C ATOM 704 C ARG A 47 -20.672 -1.282 10.484 1.00 0.00 C ATOM 705 O ARG A 47 -21.815 -1.255 10.035 1.00 0.00 O ATOM 706 CB ARG A 47 -18.929 -1.012 8.738 1.00 0.00 C ATOM 707 CG ARG A 47 -18.554 -2.480 8.950 1.00 0.00 C ATOM 708 CD ARG A 47 -18.177 -3.139 7.640 1.00 0.00 C ATOM 709 NE ARG A 47 -17.925 -4.576 7.784 1.00 0.00 N ATOM 710 CZ ARG A 47 -17.847 -5.425 6.747 1.00 0.00 C ATOM 711 NH1 ARG A 47 -17.985 -4.971 5.503 1.00 0.00 N ATOM 712 NH2 ARG A 47 -17.638 -6.725 6.954 1.00 0.00 N ATOM 0 H ARG A 47 -17.703 -0.407 10.861 1.00 0.00 H new ATOM 0 HA ARG A 47 -20.050 0.597 9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.601 -0.941 7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.029 -0.453 8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.720 -2.549 9.649 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.392 -3.012 9.401 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.978 -2.985 6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.286 -2.656 7.238 1.00 0.00 H new ATOM 0 HE ARG A 47 -17.802 -4.952 8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.150 -3.978 5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.926 -5.616 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.536 -7.080 7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.580 -7.365 6.162 1.00 0.00 H new ATOM 726 N THR A 48 -20.294 -2.098 11.439 1.00 0.00 N ATOM 727 CA THR A 48 -21.184 -3.101 11.967 1.00 0.00 C ATOM 728 C THR A 48 -21.957 -2.591 13.189 1.00 0.00 C ATOM 729 O THR A 48 -23.029 -3.095 13.509 1.00 0.00 O ATOM 730 CB THR A 48 -20.417 -4.415 12.275 1.00 0.00 C ATOM 731 OG1 THR A 48 -21.272 -5.375 12.895 1.00 0.00 O ATOM 732 CG2 THR A 48 -19.204 -4.157 13.150 1.00 0.00 C ATOM 0 H THR A 48 -19.369 -2.085 11.868 1.00 0.00 H new ATOM 0 HA THR A 48 -21.925 -3.323 11.199 1.00 0.00 H new ATOM 0 HB THR A 48 -20.072 -4.818 11.323 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.766 -6.194 13.078 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.690 -5.098 13.346 1.00 0.00 H new ATOM 0 HG22 THR A 48 -18.526 -3.473 12.640 1.00 0.00 H new ATOM 0 HG23 THR A 48 -19.523 -3.714 14.093 1.00 0.00 H new ATOM 740 N GLY A 49 -21.430 -1.565 13.840 1.00 0.00 N ATOM 741 CA GLY A 49 -22.102 -1.007 14.995 1.00 0.00 C ATOM 742 C GLY A 49 -21.827 -1.779 16.270 1.00 0.00 C ATOM 743 O GLY A 49 -22.608 -1.726 17.218 1.00 0.00 O ATOM 0 H GLY A 49 -20.552 -1.110 13.590 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.786 0.028 15.128 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -23.176 -0.991 14.811 1.00 0.00 H new ATOM 747 N VAL A 50 -20.722 -2.492 16.294 1.00 0.00 N ATOM 748 CA VAL A 50 -20.332 -3.260 17.463 1.00 0.00 C ATOM 749 C VAL A 50 -19.302 -2.464 18.260 1.00 0.00 C ATOM 750 O VAL A 50 -18.677 -1.542 17.720 1.00 0.00 O ATOM 751 CB VAL A 50 -19.721 -4.634 17.059 1.00 0.00 C ATOM 752 CG1 VAL A 50 -18.378 -4.459 16.388 1.00 0.00 C ATOM 753 CG2 VAL A 50 -19.601 -5.556 18.254 1.00 0.00 C ATOM 0 H VAL A 50 -20.071 -2.558 15.512 1.00 0.00 H new ATOM 0 HA VAL A 50 -21.220 -3.447 18.066 1.00 0.00 H new ATOM 0 HB VAL A 50 -20.402 -5.095 16.343 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -17.976 -5.436 16.118 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -18.496 -3.854 15.489 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.691 -3.961 17.073 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.171 -6.507 17.938 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -18.957 -5.098 19.004 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.589 -5.729 18.681 1.00 0.00 H new ATOM 763 N ALA A 51 -19.151 -2.784 19.539 1.00 0.00 N ATOM 764 CA ALA A 51 -18.165 -2.122 20.369 1.00 0.00 C ATOM 765 C ALA A 51 -16.772 -2.347 19.784 1.00 0.00 C ATOM 766 O ALA A 51 -16.414 -3.476 19.434 1.00 0.00 O ATOM 767 CB ALA A 51 -18.247 -2.649 21.804 1.00 0.00 C ATOM 0 H ALA A 51 -19.700 -3.497 20.019 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.366 -1.051 20.390 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.502 -2.145 22.420 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -19.241 -2.455 22.206 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.056 -3.722 21.809 1.00 0.00 H new ATOM 773 N VAL A 52 -15.999 -1.280 19.679 1.00 0.00 N ATOM 774 CA VAL A 52 -14.663 -1.350 19.099 1.00 0.00 C ATOM 775 C VAL A 52 -13.777 -2.280 19.909 1.00 0.00 C ATOM 776 O VAL A 52 -13.060 -3.116 19.359 1.00 0.00 O ATOM 777 CB VAL A 52 -14.006 0.052 19.024 1.00 0.00 C ATOM 778 CG1 VAL A 52 -12.544 -0.050 18.607 1.00 0.00 C ATOM 779 CG2 VAL A 52 -14.774 0.953 18.067 1.00 0.00 C ATOM 0 H VAL A 52 -16.273 -0.348 19.989 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.767 -1.740 18.087 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.042 0.494 20.019 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.108 0.948 18.562 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.999 -0.652 19.334 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.478 -0.519 17.625 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.297 1.933 18.028 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.774 0.510 17.071 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.801 1.063 18.416 1.00 0.00 H new ATOM 789 N ASN A 53 -13.855 -2.142 21.215 1.00 0.00 N ATOM 790 CA ASN A 53 -13.060 -2.954 22.123 1.00 0.00 C ATOM 791 C ASN A 53 -13.482 -4.413 22.061 1.00 0.00 C ATOM 792 O ASN A 53 -12.662 -5.313 22.225 1.00 0.00 O ATOM 793 CB ASN A 53 -13.188 -2.437 23.557 1.00 0.00 C ATOM 794 CG ASN A 53 -12.498 -1.103 23.767 1.00 0.00 C ATOM 795 OD1 ASN A 53 -11.534 -0.770 23.075 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.986 -0.332 24.718 1.00 0.00 N ATOM 0 H ASN A 53 -14.466 -1.470 21.679 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.018 -2.881 21.810 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.244 -2.338 23.809 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.764 -3.171 24.242 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.564 0.578 24.904 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.786 -0.645 25.268 1.00 0.00 H new ATOM 803 N SER A 54 -14.768 -4.644 21.824 1.00 0.00 N ATOM 804 CA SER A 54 -15.300 -5.994 21.776 1.00 0.00 C ATOM 805 C SER A 54 -14.946 -6.703 20.474 1.00 0.00 C ATOM 806 O SER A 54 -15.097 -7.913 20.368 1.00 0.00 O ATOM 807 CB SER A 54 -16.818 -5.988 21.966 1.00 0.00 C ATOM 808 OG SER A 54 -17.487 -5.418 20.861 1.00 0.00 O ATOM 0 H SER A 54 -15.459 -3.911 21.662 1.00 0.00 H new ATOM 0 HA SER A 54 -14.837 -6.545 22.595 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.169 -7.009 22.115 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.068 -5.430 22.868 1.00 0.00 H new ATOM 0 HG SER A 54 -16.915 -4.738 20.447 1.00 0.00 H new ATOM 814 N LEU A 55 -14.472 -5.953 19.495 1.00 0.00 N ATOM 815 CA LEU A 55 -14.140 -6.521 18.201 1.00 0.00 C ATOM 816 C LEU A 55 -12.652 -6.839 18.173 1.00 0.00 C ATOM 817 O LEU A 55 -11.823 -5.986 18.489 1.00 0.00 O ATOM 818 CB LEU A 55 -14.512 -5.522 17.085 1.00 0.00 C ATOM 819 CG LEU A 55 -14.844 -6.112 15.697 1.00 0.00 C ATOM 820 CD1 LEU A 55 -13.635 -6.781 15.079 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.993 -7.105 15.797 1.00 0.00 C ATOM 0 H LEU A 55 -14.308 -4.949 19.572 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.703 -7.440 18.035 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.372 -4.943 17.422 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.684 -4.823 16.967 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.144 -5.286 15.052 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.902 -7.186 14.103 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.835 -6.050 14.962 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.296 -7.590 15.727 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.212 -7.509 14.809 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.714 -7.918 16.468 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.877 -6.600 16.186 1.00 0.00 H new ATOM 833 N ARG A 56 -12.311 -8.063 17.801 1.00 0.00 N ATOM 834 CA ARG A 56 -10.926 -8.485 17.842 1.00 0.00 C ATOM 835 C ARG A 56 -10.432 -8.935 16.483 1.00 0.00 C ATOM 836 O ARG A 56 -11.041 -9.795 15.839 1.00 0.00 O ATOM 837 CB ARG A 56 -10.712 -9.631 18.851 1.00 0.00 C ATOM 838 CG ARG A 56 -11.080 -9.311 20.295 1.00 0.00 C ATOM 839 CD ARG A 56 -12.507 -9.727 20.630 1.00 0.00 C ATOM 840 NE ARG A 56 -12.806 -9.514 22.048 1.00 0.00 N ATOM 841 CZ ARG A 56 -13.774 -10.130 22.732 1.00 0.00 C ATOM 842 NH1 ARG A 56 -14.570 -11.013 22.135 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.945 -9.861 24.019 1.00 0.00 N ATOM 0 H ARG A 56 -12.967 -8.771 17.472 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.354 -7.613 18.158 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.298 -10.491 18.527 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.664 -9.929 18.819 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.388 -9.820 20.966 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.965 -8.241 20.469 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.207 -9.157 20.019 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.649 -10.778 20.380 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.229 -8.842 22.553 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.444 -11.226 21.145 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.306 -11.478 22.667 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.338 -9.185 24.484 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.683 -10.330 24.544 1.00 0.00 H new ATOM 857 N PHE A 57 -9.330 -8.354 16.059 1.00 0.00 N ATOM 858 CA PHE A 57 -8.657 -8.774 14.848 1.00 0.00 C ATOM 859 C PHE A 57 -7.408 -9.526 15.215 1.00 0.00 C ATOM 860 O PHE A 57 -6.601 -9.055 16.026 1.00 0.00 O ATOM 861 CB PHE A 57 -8.282 -7.586 13.980 1.00 0.00 C ATOM 862 CG PHE A 57 -9.432 -6.935 13.291 1.00 0.00 C ATOM 863 CD1 PHE A 57 -10.233 -6.038 13.946 1.00 0.00 C ATOM 864 CD2 PHE A 57 -9.685 -7.204 11.969 1.00 0.00 C ATOM 865 CE1 PHE A 57 -11.272 -5.420 13.294 1.00 0.00 C ATOM 866 CE2 PHE A 57 -10.719 -6.596 11.313 1.00 0.00 C ATOM 867 CZ PHE A 57 -11.513 -5.703 11.974 1.00 0.00 C ATOM 0 H PHE A 57 -8.876 -7.579 16.543 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.338 -9.410 14.282 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.779 -6.844 14.600 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.563 -7.914 13.229 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.046 -5.814 14.986 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.058 -7.906 11.439 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.897 -4.713 13.819 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.908 -6.822 10.274 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.330 -5.220 11.458 1.00 0.00 H new ATOM 877 N LEU A 58 -7.244 -10.677 14.639 1.00 0.00 N ATOM 878 CA LEU A 58 -6.100 -11.497 14.921 1.00 0.00 C ATOM 879 C LEU A 58 -5.385 -11.882 13.656 1.00 0.00 C ATOM 880 O LEU A 58 -5.995 -12.037 12.603 1.00 0.00 O ATOM 881 CB LEU A 58 -6.492 -12.751 15.708 1.00 0.00 C ATOM 882 CG LEU A 58 -6.442 -12.626 17.237 1.00 0.00 C ATOM 883 CD1 LEU A 58 -7.539 -11.724 17.766 1.00 0.00 C ATOM 884 CD2 LEU A 58 -6.506 -13.979 17.897 1.00 0.00 C ATOM 0 H LEU A 58 -7.895 -11.076 13.962 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.422 -10.906 15.536 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.504 -13.036 15.419 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.833 -13.566 15.408 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.486 -12.166 17.487 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.468 -11.663 18.852 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.428 -10.727 17.338 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.511 -12.132 17.489 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.469 -13.858 18.980 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.436 -14.476 17.619 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.660 -14.584 17.570 1.00 0.00 H new ATOM 896 N PHE A 59 -4.095 -12.012 13.759 1.00 0.00 N ATOM 897 CA PHE A 59 -3.289 -12.421 12.652 1.00 0.00 C ATOM 898 C PHE A 59 -2.614 -13.730 13.004 1.00 0.00 C ATOM 899 O PHE A 59 -1.816 -13.783 13.924 1.00 0.00 O ATOM 900 CB PHE A 59 -2.251 -11.346 12.325 1.00 0.00 C ATOM 901 CG PHE A 59 -1.438 -11.668 11.115 1.00 0.00 C ATOM 902 CD1 PHE A 59 -2.051 -11.847 9.893 1.00 0.00 C ATOM 903 CD2 PHE A 59 -0.065 -11.780 11.194 1.00 0.00 C ATOM 904 CE1 PHE A 59 -1.311 -12.135 8.768 1.00 0.00 C ATOM 905 CE2 PHE A 59 0.685 -12.072 10.072 1.00 0.00 C ATOM 906 CZ PHE A 59 0.060 -12.250 8.857 1.00 0.00 C ATOM 0 H PHE A 59 -3.573 -11.836 14.617 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.913 -12.560 11.769 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.758 -10.394 12.172 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.586 -11.219 13.179 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.125 -11.760 9.817 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.429 -11.638 12.144 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.804 -12.271 7.817 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.759 -12.161 10.147 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.642 -12.479 7.977 1.00 0.00 H new ATOM 916 N ASP A 60 -2.972 -14.789 12.292 1.00 0.00 N ATOM 917 CA ASP A 60 -2.434 -16.137 12.550 1.00 0.00 C ATOM 918 C ASP A 60 -2.660 -16.583 13.990 1.00 0.00 C ATOM 919 O ASP A 60 -1.885 -17.364 14.543 1.00 0.00 O ATOM 920 CB ASP A 60 -0.951 -16.244 12.194 1.00 0.00 C ATOM 921 CG ASP A 60 -0.682 -16.072 10.722 1.00 0.00 C ATOM 922 OD1 ASP A 60 -1.315 -16.783 9.914 1.00 0.00 O ATOM 923 OD2 ASP A 60 0.186 -15.256 10.365 1.00 0.00 O ATOM 0 H ASP A 60 -3.639 -14.749 11.521 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.990 -16.809 11.896 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.395 -15.489 12.749 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.576 -17.216 12.515 1.00 0.00 H new ATOM 928 N GLY A 61 -3.725 -16.096 14.584 1.00 0.00 N ATOM 929 CA GLY A 61 -4.088 -16.516 15.920 1.00 0.00 C ATOM 930 C GLY A 61 -3.524 -15.637 17.008 1.00 0.00 C ATOM 931 O GLY A 61 -3.646 -15.957 18.191 1.00 0.00 O ATOM 0 H GLY A 61 -4.354 -15.411 14.166 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.175 -16.530 16.004 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.743 -17.538 16.076 1.00 0.00 H new ATOM 935 N ARG A 62 -2.902 -14.540 16.633 1.00 0.00 N ATOM 936 CA ARG A 62 -2.392 -13.603 17.613 1.00 0.00 C ATOM 937 C ARG A 62 -3.029 -12.251 17.403 1.00 0.00 C ATOM 938 O ARG A 62 -3.188 -11.792 16.274 1.00 0.00 O ATOM 939 CB ARG A 62 -0.850 -13.546 17.567 1.00 0.00 C ATOM 940 CG ARG A 62 -0.245 -13.076 16.249 1.00 0.00 C ATOM 941 CD ARG A 62 -0.135 -11.562 16.173 1.00 0.00 C ATOM 942 NE ARG A 62 0.935 -11.046 17.024 1.00 0.00 N ATOM 943 CZ ARG A 62 1.121 -9.758 17.289 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.267 -8.860 16.826 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.152 -9.369 18.029 1.00 0.00 N ATOM 0 H ARG A 62 -2.737 -14.275 15.662 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.658 -13.942 18.614 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.505 -12.883 18.361 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.461 -14.540 17.790 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.745 -13.517 16.128 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.857 -13.436 15.422 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.047 -11.263 15.141 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.083 -11.114 16.472 1.00 0.00 H new ATOM 0 HE ARG A 62 1.580 -11.717 17.441 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.532 -9.157 16.267 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.408 -7.870 17.028 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.806 -10.060 18.397 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.291 -8.379 18.230 1.00 0.00 H new ATOM 959 N ARG A 63 -3.413 -11.642 18.488 1.00 0.00 N ATOM 960 CA ARG A 63 -4.125 -10.379 18.466 1.00 0.00 C ATOM 961 C ARG A 63 -3.276 -9.247 17.954 1.00 0.00 C ATOM 962 O ARG A 63 -2.085 -9.170 18.229 1.00 0.00 O ATOM 963 CB ARG A 63 -4.669 -10.089 19.852 1.00 0.00 C ATOM 964 CG ARG A 63 -3.599 -10.026 20.920 1.00 0.00 C ATOM 965 CD ARG A 63 -4.193 -10.258 22.284 1.00 0.00 C ATOM 966 NE ARG A 63 -5.190 -9.246 22.653 1.00 0.00 N ATOM 967 CZ ARG A 63 -4.925 -8.137 23.349 1.00 0.00 C ATOM 968 NH1 ARG A 63 -3.685 -7.868 23.740 1.00 0.00 N ATOM 969 NH2 ARG A 63 -5.909 -7.296 23.654 1.00 0.00 N ATOM 0 H ARG A 63 -3.243 -12.005 19.426 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.955 -10.465 17.765 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.207 -9.141 19.831 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.392 -10.860 20.118 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.833 -10.775 20.719 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.108 -9.053 20.893 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.657 -11.244 22.310 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.395 -10.262 23.026 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.154 -9.400 22.357 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.927 -8.510 23.509 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.491 -7.019 24.271 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.863 -7.498 23.357 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.709 -6.449 24.185 1.00 0.00 H new ATOM 983 N ILE A 64 -3.903 -8.381 17.199 1.00 0.00 N ATOM 984 CA ILE A 64 -3.240 -7.233 16.621 1.00 0.00 C ATOM 985 C ILE A 64 -3.451 -6.029 17.520 1.00 0.00 C ATOM 986 O ILE A 64 -4.587 -5.638 17.789 1.00 0.00 O ATOM 987 CB ILE A 64 -3.813 -6.933 15.212 1.00 0.00 C ATOM 988 CG1 ILE A 64 -3.642 -8.159 14.312 1.00 0.00 C ATOM 989 CG2 ILE A 64 -3.124 -5.718 14.589 1.00 0.00 C ATOM 990 CD1 ILE A 64 -4.361 -8.047 12.989 1.00 0.00 C ATOM 0 H ILE A 64 -4.893 -8.450 16.965 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.175 -7.446 16.529 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.874 -6.705 15.311 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.580 -8.316 14.126 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.007 -9.040 14.840 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.544 -5.528 13.601 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.281 -4.846 15.223 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.055 -5.913 14.498 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.194 -8.953 12.406 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.429 -7.921 13.165 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.980 -7.186 12.439 1.00 0.00 H new ATOM 1002 N ASN A 65 -2.362 -5.459 18.000 1.00 0.00 N ATOM 1003 CA ASN A 65 -2.429 -4.317 18.891 1.00 0.00 C ATOM 1004 C ASN A 65 -1.730 -3.113 18.298 1.00 0.00 C ATOM 1005 O ASN A 65 -0.967 -3.230 17.347 1.00 0.00 O ATOM 1006 CB ASN A 65 -1.836 -4.650 20.266 1.00 0.00 C ATOM 1007 CG ASN A 65 -2.616 -5.724 20.997 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -2.305 -6.910 20.906 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -3.630 -5.314 21.734 1.00 0.00 N ATOM 0 H ASN A 65 -1.415 -5.771 17.786 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.483 -4.071 19.021 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.804 -4.978 20.142 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.812 -3.746 20.875 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.188 -5.990 22.255 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.856 -4.321 21.783 1.00 0.00 H new ATOM 1016 N ASP A 66 -2.000 -1.949 18.876 1.00 0.00 N ATOM 1017 CA ASP A 66 -1.392 -0.689 18.437 1.00 0.00 C ATOM 1018 C ASP A 66 0.082 -0.671 18.810 1.00 0.00 C ATOM 1019 O ASP A 66 0.845 0.179 18.361 1.00 0.00 O ATOM 1020 CB ASP A 66 -2.099 0.501 19.110 1.00 0.00 C ATOM 1021 CG ASP A 66 -1.976 0.475 20.631 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -2.337 -0.551 21.246 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -1.516 1.479 21.217 1.00 0.00 O ATOM 0 H ASP A 66 -2.644 -1.847 19.660 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.497 -0.607 17.355 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.676 1.431 18.731 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.154 0.495 18.835 1.00 0.00 H new ATOM 1028 N ASP A 67 0.461 -1.619 19.643 1.00 0.00 N ATOM 1029 CA ASP A 67 1.827 -1.747 20.114 1.00 0.00 C ATOM 1030 C ASP A 67 2.695 -2.466 19.089 1.00 0.00 C ATOM 1031 O ASP A 67 3.922 -2.332 19.093 1.00 0.00 O ATOM 1032 CB ASP A 67 1.843 -2.526 21.435 1.00 0.00 C ATOM 1033 CG ASP A 67 3.220 -2.613 22.055 1.00 0.00 C ATOM 1034 OD1 ASP A 67 3.719 -1.580 22.546 1.00 0.00 O ATOM 1035 OD2 ASP A 67 3.807 -3.718 22.067 1.00 0.00 O ATOM 0 H ASP A 67 -0.173 -2.327 20.015 1.00 0.00 H new ATOM 0 HA ASP A 67 2.233 -0.747 20.267 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.163 -2.048 22.140 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.465 -3.533 21.261 1.00 0.00 H new ATOM 1040 N ASP A 68 2.059 -3.213 18.201 1.00 0.00 N ATOM 1041 CA ASP A 68 2.782 -4.018 17.227 1.00 0.00 C ATOM 1042 C ASP A 68 3.382 -3.188 16.108 1.00 0.00 C ATOM 1043 O ASP A 68 2.798 -2.203 15.660 1.00 0.00 O ATOM 1044 CB ASP A 68 1.891 -5.110 16.651 1.00 0.00 C ATOM 1045 CG ASP A 68 1.458 -6.120 17.686 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.332 -6.703 18.356 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.244 -6.362 17.818 1.00 0.00 O ATOM 0 H ASP A 68 1.043 -3.279 18.134 1.00 0.00 H new ATOM 0 HA ASP A 68 3.609 -4.480 17.766 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.008 -4.654 16.204 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.424 -5.623 15.851 1.00 0.00 H new ATOM 1052 N THR A 69 4.556 -3.597 15.671 1.00 0.00 N ATOM 1053 CA THR A 69 5.247 -2.952 14.580 1.00 0.00 C ATOM 1054 C THR A 69 4.872 -3.623 13.258 1.00 0.00 C ATOM 1055 O THR A 69 4.392 -4.765 13.252 1.00 0.00 O ATOM 1056 CB THR A 69 6.776 -3.049 14.773 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.173 -4.431 14.808 1.00 0.00 O ATOM 1058 CG2 THR A 69 7.203 -2.361 16.062 1.00 0.00 C ATOM 0 H THR A 69 5.058 -4.391 16.067 1.00 0.00 H new ATOM 0 HA THR A 69 4.952 -1.903 14.562 1.00 0.00 H new ATOM 0 HB THR A 69 7.263 -2.549 13.936 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.144 -4.490 14.929 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.284 -2.442 16.177 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.920 -1.309 16.024 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.711 -2.839 16.909 1.00 0.00 H new ATOM 1066 N PRO A 70 5.100 -2.947 12.119 1.00 0.00 N ATOM 1067 CA PRO A 70 4.819 -3.516 10.794 1.00 0.00 C ATOM 1068 C PRO A 70 5.620 -4.790 10.544 1.00 0.00 C ATOM 1069 O PRO A 70 5.194 -5.670 9.796 1.00 0.00 O ATOM 1070 CB PRO A 70 5.283 -2.411 9.824 1.00 0.00 C ATOM 1071 CG PRO A 70 6.169 -1.533 10.637 1.00 0.00 C ATOM 1072 CD PRO A 70 5.606 -1.570 12.020 1.00 0.00 C ATOM 0 HA PRO A 70 3.771 -3.793 10.682 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.818 -2.832 8.973 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.435 -1.855 9.424 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.198 -1.892 10.622 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.181 -0.516 10.245 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.366 -1.361 12.773 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.813 -0.835 12.155 1.00 0.00 H new ATOM 1080 N LYS A 71 6.767 -4.897 11.204 1.00 0.00 N ATOM 1081 CA LYS A 71 7.636 -6.011 11.035 1.00 0.00 C ATOM 1082 C LYS A 71 7.129 -7.231 11.808 1.00 0.00 C ATOM 1083 O LYS A 71 7.182 -8.352 11.308 1.00 0.00 O ATOM 1084 CB LYS A 71 9.075 -5.606 11.425 1.00 0.00 C ATOM 1085 CG LYS A 71 9.933 -6.728 11.949 1.00 0.00 C ATOM 1086 CD LYS A 71 9.815 -6.825 13.455 1.00 0.00 C ATOM 1087 CE LYS A 71 9.854 -8.257 13.910 1.00 0.00 C ATOM 1088 NZ LYS A 71 11.162 -8.906 13.629 1.00 0.00 N ATOM 0 H LYS A 71 7.104 -4.201 11.869 1.00 0.00 H new ATOM 0 HA LYS A 71 7.649 -6.308 9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.563 -5.173 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.023 -4.824 12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.629 -7.670 11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.973 -6.560 11.670 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.628 -6.269 13.923 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.883 -6.362 13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.652 -8.301 14.980 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.060 -8.815 13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.139 -9.891 13.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.345 -8.890 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.918 -8.392 14.124 1.00 0.00 H new ATOM 1102 N THR A 72 6.625 -7.017 13.021 1.00 0.00 N ATOM 1103 CA THR A 72 6.130 -8.127 13.817 1.00 0.00 C ATOM 1104 C THR A 72 4.771 -8.595 13.303 1.00 0.00 C ATOM 1105 O THR A 72 4.442 -9.774 13.397 1.00 0.00 O ATOM 1106 CB THR A 72 6.060 -7.792 15.337 1.00 0.00 C ATOM 1107 OG1 THR A 72 5.888 -8.995 16.096 1.00 0.00 O ATOM 1108 CG2 THR A 72 4.913 -6.849 15.645 1.00 0.00 C ATOM 0 H THR A 72 6.551 -6.101 13.464 1.00 0.00 H new ATOM 0 HA THR A 72 6.848 -8.939 13.707 1.00 0.00 H new ATOM 0 HB THR A 72 6.996 -7.305 15.610 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.846 -8.776 17.050 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.894 -6.637 16.714 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.048 -5.919 15.093 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.972 -7.313 15.350 1.00 0.00 H new ATOM 1116 N LEU A 73 3.979 -7.662 12.754 1.00 0.00 N ATOM 1117 CA LEU A 73 2.689 -8.017 12.183 1.00 0.00 C ATOM 1118 C LEU A 73 2.878 -8.774 10.882 1.00 0.00 C ATOM 1119 O LEU A 73 2.020 -9.531 10.479 1.00 0.00 O ATOM 1120 CB LEU A 73 1.830 -6.779 11.957 1.00 0.00 C ATOM 1121 CG LEU A 73 1.358 -6.063 13.223 1.00 0.00 C ATOM 1122 CD1 LEU A 73 0.687 -4.742 12.879 1.00 0.00 C ATOM 1123 CD2 LEU A 73 0.406 -6.955 14.007 1.00 0.00 C ATOM 0 H LEU A 73 4.212 -6.671 12.698 1.00 0.00 H new ATOM 0 HA LEU A 73 2.171 -8.662 12.893 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.396 -6.072 11.351 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.954 -7.068 11.376 1.00 0.00 H new ATOM 0 HG LEU A 73 2.229 -5.849 13.842 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.360 -4.251 13.795 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.395 -4.099 12.356 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.175 -4.928 12.239 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.077 -6.434 14.906 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.459 -7.195 13.389 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.918 -7.875 14.288 1.00 0.00 H new ATOM 1135 N GLU A 74 4.021 -8.534 10.232 1.00 0.00 N ATOM 1136 CA GLU A 74 4.432 -9.253 9.015 1.00 0.00 C ATOM 1137 C GLU A 74 3.340 -9.247 7.911 1.00 0.00 C ATOM 1138 O GLU A 74 3.329 -10.106 7.024 1.00 0.00 O ATOM 1139 CB GLU A 74 4.811 -10.689 9.397 1.00 0.00 C ATOM 1140 CG GLU A 74 5.640 -11.424 8.364 1.00 0.00 C ATOM 1141 CD GLU A 74 6.058 -12.785 8.844 1.00 0.00 C ATOM 1142 OE1 GLU A 74 6.963 -12.865 9.697 1.00 0.00 O ATOM 1143 OE2 GLU A 74 5.483 -13.787 8.386 1.00 0.00 O ATOM 0 H GLU A 74 4.694 -7.831 10.535 1.00 0.00 H new ATOM 0 HA GLU A 74 5.291 -8.734 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.364 -10.666 10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.897 -11.255 9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.066 -11.525 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.526 -10.836 8.125 1.00 0.00 H new ATOM 1150 N MET A 75 2.458 -8.264 7.948 1.00 0.00 N ATOM 1151 CA MET A 75 1.396 -8.163 6.954 1.00 0.00 C ATOM 1152 C MET A 75 1.919 -7.559 5.656 1.00 0.00 C ATOM 1153 O MET A 75 2.970 -6.912 5.642 1.00 0.00 O ATOM 1154 CB MET A 75 0.204 -7.357 7.491 1.00 0.00 C ATOM 1155 CG MET A 75 0.546 -5.938 7.920 1.00 0.00 C ATOM 1156 SD MET A 75 -0.905 -5.010 8.467 1.00 0.00 S ATOM 1157 CE MET A 75 -1.376 -5.927 9.929 1.00 0.00 C ATOM 0 H MET A 75 2.453 -7.525 8.651 1.00 0.00 H new ATOM 0 HA MET A 75 1.046 -9.173 6.741 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.567 -7.315 6.721 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.224 -7.887 8.342 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.277 -5.973 8.728 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.016 -5.414 7.088 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.103 -5.351 10.501 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.817 -6.879 9.635 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.494 -6.110 10.543 1.00 0.00 H new ATOM 1167 N GLU A 76 1.189 -7.762 4.573 1.00 0.00 N ATOM 1168 CA GLU A 76 1.596 -7.266 3.276 1.00 0.00 C ATOM 1169 C GLU A 76 0.381 -6.822 2.490 1.00 0.00 C ATOM 1170 O GLU A 76 -0.744 -6.896 2.984 1.00 0.00 O ATOM 1171 CB GLU A 76 2.356 -8.335 2.486 1.00 0.00 C ATOM 1172 CG GLU A 76 1.539 -9.577 2.179 1.00 0.00 C ATOM 1173 CD GLU A 76 2.221 -10.488 1.188 1.00 0.00 C ATOM 1174 OE1 GLU A 76 2.917 -11.425 1.612 1.00 0.00 O ATOM 1175 OE2 GLU A 76 2.056 -10.267 -0.034 1.00 0.00 O ATOM 0 H GLU A 76 0.305 -8.271 4.570 1.00 0.00 H new ATOM 0 HA GLU A 76 2.262 -6.418 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.703 -7.901 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.242 -8.626 3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.355 -10.124 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.567 -9.280 1.785 1.00 0.00 H new ATOM 1182 N ASP A 77 0.609 -6.367 1.275 1.00 0.00 N ATOM 1183 CA ASP A 77 -0.464 -5.904 0.423 1.00 0.00 C ATOM 1184 C ASP A 77 -1.389 -7.046 0.029 1.00 0.00 C ATOM 1185 O ASP A 77 -0.963 -8.025 -0.595 1.00 0.00 O ATOM 1186 CB ASP A 77 0.093 -5.231 -0.823 1.00 0.00 C ATOM 1187 CG ASP A 77 -0.990 -4.645 -1.699 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -1.589 -3.628 -1.298 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -1.239 -5.186 -2.797 1.00 0.00 O ATOM 0 H ASP A 77 1.536 -6.308 0.854 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.044 -5.175 0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.783 -4.441 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.667 -5.957 -1.398 1.00 0.00 H new ATOM 1194 N ASP A 78 -2.643 -6.905 0.435 1.00 0.00 N ATOM 1195 CA ASP A 78 -3.727 -7.854 0.148 1.00 0.00 C ATOM 1196 C ASP A 78 -3.536 -9.138 0.945 1.00 0.00 C ATOM 1197 O ASP A 78 -3.883 -10.229 0.501 1.00 0.00 O ATOM 1198 CB ASP A 78 -3.830 -8.127 -1.359 1.00 0.00 C ATOM 1199 CG ASP A 78 -5.089 -8.867 -1.781 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -6.150 -8.223 -1.897 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -5.012 -10.096 -2.033 1.00 0.00 O ATOM 0 H ASP A 78 -2.951 -6.106 0.990 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.672 -7.409 0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.787 -7.177 -1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.961 -8.707 -1.671 1.00 0.00 H new ATOM 1206 N ASP A 79 -2.987 -9.000 2.145 1.00 0.00 N ATOM 1207 CA ASP A 79 -2.832 -10.147 3.022 1.00 0.00 C ATOM 1208 C ASP A 79 -4.129 -10.363 3.770 1.00 0.00 C ATOM 1209 O ASP A 79 -5.065 -9.581 3.630 1.00 0.00 O ATOM 1210 CB ASP A 79 -1.672 -9.983 4.003 1.00 0.00 C ATOM 1211 CG ASP A 79 -1.105 -11.327 4.447 1.00 0.00 C ATOM 1212 OD1 ASP A 79 -0.113 -11.788 3.843 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -1.655 -11.932 5.381 1.00 0.00 O ATOM 0 H ASP A 79 -2.647 -8.118 2.527 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.596 -11.016 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.883 -9.393 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.012 -9.426 4.876 1.00 0.00 H new ATOM 1218 N VAL A 80 -4.186 -11.387 4.566 1.00 0.00 N ATOM 1219 CA VAL A 80 -5.407 -11.743 5.236 1.00 0.00 C ATOM 1220 C VAL A 80 -5.325 -11.491 6.731 1.00 0.00 C ATOM 1221 O VAL A 80 -4.260 -11.575 7.340 1.00 0.00 O ATOM 1222 CB VAL A 80 -5.767 -13.218 4.982 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -6.051 -13.439 3.511 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -4.639 -14.124 5.446 1.00 0.00 C ATOM 0 H VAL A 80 -3.395 -11.998 4.771 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.189 -11.107 4.823 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.663 -13.463 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.305 -14.486 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.886 -12.809 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.167 -13.181 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.908 -15.164 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.728 -13.881 4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.471 -13.978 6.513 1.00 0.00 H new ATOM 1234 N ILE A 81 -6.458 -11.178 7.295 1.00 0.00 N ATOM 1235 CA ILE A 81 -6.592 -10.901 8.701 1.00 0.00 C ATOM 1236 C ILE A 81 -7.851 -11.566 9.243 1.00 0.00 C ATOM 1237 O ILE A 81 -8.888 -11.570 8.581 1.00 0.00 O ATOM 1238 CB ILE A 81 -6.575 -9.365 8.964 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -5.163 -8.919 9.384 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -7.631 -8.930 9.962 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -5.019 -7.428 9.611 1.00 0.00 C ATOM 0 H ILE A 81 -7.335 -11.106 6.779 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.740 -11.322 9.235 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.832 -8.864 8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.888 -9.442 10.300 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.454 -9.227 8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.573 -7.851 10.106 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.619 -9.193 9.584 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.461 -9.433 10.914 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.994 -7.202 9.904 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.260 -6.895 8.691 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.700 -7.113 10.402 1.00 0.00 H new ATOM 1253 N GLU A 82 -7.752 -12.140 10.429 1.00 0.00 N ATOM 1254 CA GLU A 82 -8.850 -12.901 10.999 1.00 0.00 C ATOM 1255 C GLU A 82 -9.621 -12.085 12.021 1.00 0.00 C ATOM 1256 O GLU A 82 -9.052 -11.256 12.729 1.00 0.00 O ATOM 1257 CB GLU A 82 -8.306 -14.151 11.675 1.00 0.00 C ATOM 1258 CG GLU A 82 -7.484 -15.038 10.761 1.00 0.00 C ATOM 1259 CD GLU A 82 -6.920 -16.238 11.486 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -5.957 -16.077 12.266 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -7.440 -17.356 11.281 1.00 0.00 O ATOM 0 H GLU A 82 -6.920 -12.093 11.018 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.527 -13.169 10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.692 -13.854 12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.140 -14.729 12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.105 -15.376 9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.667 -14.457 10.333 1.00 0.00 H new ATOM 1268 N VAL A 83 -10.912 -12.317 12.087 1.00 0.00 N ATOM 1269 CA VAL A 83 -11.757 -11.680 13.079 1.00 0.00 C ATOM 1270 C VAL A 83 -12.389 -12.716 13.967 1.00 0.00 C ATOM 1271 O VAL A 83 -12.956 -13.697 13.490 1.00 0.00 O ATOM 1272 CB VAL A 83 -12.868 -10.812 12.448 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -13.809 -10.264 13.516 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -12.265 -9.675 11.686 1.00 0.00 C ATOM 0 H VAL A 83 -11.407 -12.950 11.459 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.111 -11.023 13.661 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.441 -11.444 11.769 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.581 -9.657 13.044 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.275 -11.092 14.050 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.244 -9.651 14.218 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.058 -9.071 11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.671 -9.059 12.361 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.625 -10.066 10.895 1.00 0.00 H new ATOM 1284 N TYR A 84 -12.264 -12.514 15.245 1.00 0.00 N ATOM 1285 CA TYR A 84 -12.857 -13.384 16.217 1.00 0.00 C ATOM 1286 C TYR A 84 -14.132 -12.777 16.752 1.00 0.00 C ATOM 1287 O TYR A 84 -14.417 -11.602 16.501 1.00 0.00 O ATOM 1288 CB TYR A 84 -11.872 -13.733 17.324 1.00 0.00 C ATOM 1289 CG TYR A 84 -10.836 -14.746 16.882 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -9.700 -14.357 16.192 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -11.008 -16.099 17.149 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -8.763 -15.287 15.777 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -10.075 -17.031 16.742 1.00 0.00 C ATOM 1294 CZ TYR A 84 -8.956 -16.621 16.056 1.00 0.00 C ATOM 1295 OH TYR A 84 -8.023 -17.550 15.646 1.00 0.00 O ATOM 0 H TYR A 84 -11.743 -11.734 15.646 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.118 -14.324 15.731 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.369 -12.825 17.657 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.418 -14.127 18.181 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.543 -13.311 15.974 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.887 -16.427 17.684 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.884 -14.968 15.237 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.223 -18.078 16.961 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.309 -18.445 15.923 1.00 0.00 H new ATOM 1305 N GLN A 85 -14.891 -13.558 17.489 1.00 0.00 N ATOM 1306 CA GLN A 85 -16.193 -13.126 17.946 1.00 0.00 C ATOM 1307 C GLN A 85 -16.084 -11.997 18.944 1.00 0.00 C ATOM 1308 O GLN A 85 -15.107 -11.890 19.691 1.00 0.00 O ATOM 1309 CB GLN A 85 -16.955 -14.293 18.541 1.00 0.00 C ATOM 1310 CG GLN A 85 -17.374 -15.321 17.517 1.00 0.00 C ATOM 1311 CD GLN A 85 -17.951 -16.559 18.146 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -17.557 -16.956 19.245 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -18.894 -17.168 17.473 1.00 0.00 N ATOM 0 H GLN A 85 -14.628 -14.498 17.785 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.743 -12.750 17.083 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -16.334 -14.775 19.296 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.842 -13.916 19.051 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.112 -14.881 16.846 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -16.512 -15.595 16.908 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -19.190 -16.805 16.567 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -19.333 -18.006 17.855 1.00 0.00 H new ATOM 1322 N GLU A 86 -17.083 -11.151 18.928 1.00 0.00 N ATOM 1323 CA GLU A 86 -17.114 -9.956 19.728 1.00 0.00 C ATOM 1324 C GLU A 86 -17.848 -10.162 21.050 1.00 0.00 C ATOM 1325 O GLU A 86 -18.668 -11.066 21.190 1.00 0.00 O ATOM 1326 CB GLU A 86 -17.767 -8.813 18.941 1.00 0.00 C ATOM 1327 CG GLU A 86 -19.165 -9.130 18.420 1.00 0.00 C ATOM 1328 CD GLU A 86 -19.170 -10.034 17.203 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -19.121 -9.516 16.078 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -19.228 -11.274 17.379 1.00 0.00 O ATOM 0 H GLU A 86 -17.912 -11.277 18.347 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.082 -9.699 19.965 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.821 -7.932 19.580 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.127 -8.556 18.097 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.741 -9.603 19.215 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.671 -8.197 18.171 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.525 -9.309 22.013 1.00 0.00 N ATOM 1338 CA GLN A 87 -18.146 -9.328 23.339 1.00 0.00 C ATOM 1339 C GLN A 87 -19.620 -8.961 23.259 1.00 0.00 C ATOM 1340 O GLN A 87 -20.457 -9.564 23.925 1.00 0.00 O ATOM 1341 CB GLN A 87 -17.406 -8.380 24.294 1.00 0.00 C ATOM 1342 CG GLN A 87 -17.994 -8.315 25.690 1.00 0.00 C ATOM 1343 CD GLN A 87 -17.155 -7.487 26.641 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -15.940 -7.393 26.492 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -17.794 -6.886 27.620 1.00 0.00 N ATOM 0 H GLN A 87 -16.822 -8.579 21.900 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.073 -10.343 23.730 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -16.365 -8.695 24.365 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.407 -7.378 23.865 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.998 -7.894 25.637 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -18.093 -9.326 26.085 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.805 -6.990 27.709 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.279 -6.316 28.291 1.00 0.00 H new ATOM 1354 N LEU A 88 -19.927 -7.958 22.444 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.304 -7.531 22.252 1.00 0.00 C ATOM 1356 C LEU A 88 -22.101 -8.667 21.630 1.00 0.00 C ATOM 1357 O LEU A 88 -23.250 -8.919 21.995 1.00 0.00 O ATOM 1358 CB LEU A 88 -21.361 -6.278 21.372 1.00 0.00 C ATOM 1359 CG LEU A 88 -22.758 -5.709 21.107 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -23.426 -5.305 22.409 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -22.681 -4.520 20.162 1.00 0.00 C ATOM 0 H LEU A 88 -19.241 -7.427 21.907 1.00 0.00 H new ATOM 0 HA LEU A 88 -21.741 -7.278 23.218 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -20.756 -5.501 21.840 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -20.896 -6.509 20.414 1.00 0.00 H new ATOM 0 HG LEU A 88 -23.359 -6.487 20.636 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -24.417 -4.903 22.200 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -23.517 -6.177 23.057 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -22.824 -4.545 22.906 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -23.683 -4.130 19.986 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -22.061 -3.741 20.607 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -22.243 -4.836 19.215 1.00 0.00 H new