USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 LYS NZ :NH3+ -110:sc= 1.31 (180deg=-0.284) USER MOD Set 1.2: A 56 TYR OH : rot 39:sc= -1.4 USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= 0.469 (180deg=0.0746) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= 1.12 (180deg=0.723) USER MOD Single : A 16 ASN : amide:sc=-0.00148 X(o=-0.0015,f=-0.076) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.226 USER MOD Single : A 26 GLN : amide:sc= -0.652 K(o=-0.65,f=-1.7!) USER MOD Single : A 27 CYS SG : rot 180:sc= -0.092 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.17 K(o=-2.2,f=-9.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0044 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -156:sc= 0.988 USER MOD Single : A 55 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-0.83) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 73 ASN : amide:sc= 0.11 K(o=0.11,f=-4.2!) USER MOD Single : A 76 LYS NZ :NH3+ -136:sc= 0.0784 (180deg=-0.638) USER MOD Single : A 80 TYR OH : rot -178:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.849 17.352 6.781 1.00 0.00 N ATOM 174 CA ILE A 11 11.564 16.665 6.774 1.00 0.00 C ATOM 175 C ILE A 11 10.410 17.654 6.899 1.00 0.00 C ATOM 176 O ILE A 11 10.514 18.659 7.601 1.00 0.00 O ATOM 177 CB ILE A 11 11.469 15.637 7.918 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.596 14.608 7.803 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.112 14.950 7.901 1.00 0.00 C ATOM 180 CD1 ILE A 11 13.354 14.395 9.094 1.00 0.00 C ATOM 0 HA ILE A 11 11.491 16.144 5.820 1.00 0.00 H new ATOM 0 HB ILE A 11 11.577 16.161 8.868 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.176 13.657 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.294 14.930 7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.060 14.227 8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.326 15.694 8.026 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.976 14.436 6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.137 13.653 8.938 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.803 15.336 9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.668 14.042 9.864 1.00 0.00 H new ATOM 192 N ALA A 12 9.310 17.362 6.213 1.00 0.00 N ATOM 193 CA ALA A 12 8.136 18.223 6.249 1.00 0.00 C ATOM 194 C ALA A 12 6.891 17.439 6.652 1.00 0.00 C ATOM 195 O ALA A 12 6.467 16.523 5.947 1.00 0.00 O ATOM 196 CB ALA A 12 7.927 18.889 4.897 1.00 0.00 C ATOM 0 H ALA A 12 9.208 16.535 5.625 1.00 0.00 H new ATOM 0 HA ALA A 12 8.306 18.995 7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.046 19.529 4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.801 19.491 4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.784 18.125 4.133 1.00 0.00 H new ATOM 202 N LYS A 13 6.311 17.803 7.790 1.00 0.00 N ATOM 203 CA LYS A 13 5.115 17.135 8.288 1.00 0.00 C ATOM 204 C LYS A 13 4.136 18.142 8.884 1.00 0.00 C ATOM 205 O LYS A 13 4.542 19.155 9.453 1.00 0.00 O ATOM 206 CB LYS A 13 5.490 16.089 9.340 1.00 0.00 C ATOM 207 CG LYS A 13 5.886 16.687 10.679 1.00 0.00 C ATOM 208 CD LYS A 13 6.430 15.629 11.624 1.00 0.00 C ATOM 209 CE LYS A 13 7.840 15.209 11.237 1.00 0.00 C ATOM 210 NZ LYS A 13 8.662 14.862 12.430 1.00 0.00 N ATOM 0 H LYS A 13 6.650 18.558 8.386 1.00 0.00 H new ATOM 0 HA LYS A 13 4.631 16.639 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.646 15.416 9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.316 15.486 8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.639 17.460 10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.021 17.171 11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.431 16.016 12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.774 14.759 11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.792 14.351 10.567 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.322 16.017 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.320 14.094 12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.202 15.697 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.039 14.552 13.203 1.00 0.00 H new ATOM 224 N LYS A 14 2.846 17.856 8.751 1.00 0.00 N ATOM 225 CA LYS A 14 1.809 18.735 9.278 1.00 0.00 C ATOM 226 C LYS A 14 1.287 18.220 10.615 1.00 0.00 C ATOM 227 O LYS A 14 0.649 17.168 10.679 1.00 0.00 O ATOM 228 CB LYS A 14 0.655 18.853 8.280 1.00 0.00 C ATOM 229 CG LYS A 14 0.948 19.789 7.120 1.00 0.00 C ATOM 230 CD LYS A 14 0.193 21.101 7.257 1.00 0.00 C ATOM 231 CE LYS A 14 -0.291 21.609 5.907 1.00 0.00 C ATOM 232 NZ LYS A 14 -1.695 22.102 5.971 1.00 0.00 N ATOM 0 H LYS A 14 2.493 17.022 8.282 1.00 0.00 H new ATOM 0 HA LYS A 14 2.248 19.720 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.422 17.863 7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.233 19.205 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.019 19.988 7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.672 19.306 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.659 20.964 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.840 21.848 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.361 22.413 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.220 20.808 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.107 22.103 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.254 21.479 6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.706 23.069 6.354 1.00 0.00 H new ATOM 246 N ILE A 15 1.560 18.966 11.680 1.00 0.00 N ATOM 247 CA ILE A 15 1.116 18.585 13.014 1.00 0.00 C ATOM 248 C ILE A 15 -0.032 19.472 13.486 1.00 0.00 C ATOM 249 O ILE A 15 -0.227 20.575 12.976 1.00 0.00 O ATOM 250 CB ILE A 15 2.266 18.667 14.036 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.840 20.085 14.078 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.352 17.659 13.691 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.322 20.501 15.450 1.00 0.00 C ATOM 0 H ILE A 15 2.087 19.839 11.644 1.00 0.00 H new ATOM 0 HA ILE A 15 0.772 17.553 12.948 1.00 0.00 H new ATOM 0 HB ILE A 15 1.874 18.426 15.024 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.669 20.154 13.374 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.077 20.787 13.741 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.158 17.728 14.421 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.933 16.653 13.707 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.744 17.873 12.697 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.716 21.516 15.405 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.491 20.465 16.154 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.107 19.822 15.781 1.00 0.00 H new ATOM 265 N ASN A 16 -0.787 18.983 14.464 1.00 0.00 N ATOM 266 CA ASN A 16 -1.915 19.732 15.006 1.00 0.00 C ATOM 267 C ASN A 16 -1.683 20.080 16.473 1.00 0.00 C ATOM 268 O ASN A 16 -2.273 21.023 16.999 1.00 0.00 O ATOM 269 CB ASN A 16 -3.207 18.926 14.859 1.00 0.00 C ATOM 270 CG ASN A 16 -3.907 19.190 13.540 1.00 0.00 C ATOM 271 OD1 ASN A 16 -4.278 20.324 13.238 1.00 0.00 O ATOM 272 ND2 ASN A 16 -4.091 18.140 12.748 1.00 0.00 N ATOM 0 H ASN A 16 -0.638 18.072 14.897 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.008 20.660 14.442 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.980 17.863 14.940 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.881 19.172 15.680 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.557 18.256 11.848 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.767 17.218 13.040 1.00 0.00 H new ATOM 279 N SER A 17 -0.819 19.311 17.128 1.00 0.00 N ATOM 280 CA SER A 17 -0.511 19.535 18.536 1.00 0.00 C ATOM 281 C SER A 17 0.805 20.290 18.690 1.00 0.00 C ATOM 282 O SER A 17 1.749 20.079 17.928 1.00 0.00 O ATOM 283 CB SER A 17 -0.438 18.201 19.282 1.00 0.00 C ATOM 284 OG SER A 17 -1.490 17.338 18.889 1.00 0.00 O ATOM 0 H SER A 17 -0.320 18.528 16.707 1.00 0.00 H new ATOM 0 HA SER A 17 -1.309 20.140 18.966 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.521 17.723 19.085 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.491 18.378 20.356 1.00 0.00 H new ATOM 0 HG SER A 17 -1.420 16.492 19.379 1.00 0.00 H new ATOM 290 N VAL A 18 0.861 21.173 19.682 1.00 0.00 N ATOM 291 CA VAL A 18 2.061 21.960 19.939 1.00 0.00 C ATOM 292 C VAL A 18 3.049 21.188 20.807 1.00 0.00 C ATOM 293 O VAL A 18 4.203 21.590 20.959 1.00 0.00 O ATOM 294 CB VAL A 18 1.721 23.293 20.630 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.715 24.081 19.804 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.192 23.046 22.035 1.00 0.00 C ATOM 0 H VAL A 18 0.089 21.361 20.321 1.00 0.00 H new ATOM 0 HA VAL A 18 2.517 22.167 18.971 1.00 0.00 H new ATOM 0 HB VAL A 18 2.633 23.884 20.709 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.487 25.020 20.308 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.136 24.290 18.820 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.199 23.498 19.691 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.957 23.999 22.508 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.291 22.435 21.982 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.949 22.526 22.623 1.00 0.00 H new ATOM 306 N ASP A 19 2.589 20.079 21.374 1.00 0.00 N ATOM 307 CA ASP A 19 3.433 19.249 22.226 1.00 0.00 C ATOM 308 C ASP A 19 4.613 18.686 21.439 1.00 0.00 C ATOM 309 O ASP A 19 5.719 18.559 21.966 1.00 0.00 O ATOM 310 CB ASP A 19 2.616 18.106 22.831 1.00 0.00 C ATOM 311 CG ASP A 19 1.686 18.578 23.931 1.00 0.00 C ATOM 312 OD1 ASP A 19 1.466 19.802 24.036 1.00 0.00 O ATOM 313 OD2 ASP A 19 1.179 17.723 24.687 1.00 0.00 O ATOM 0 H ASP A 19 1.636 19.733 21.259 1.00 0.00 H new ATOM 0 HA ASP A 19 3.821 19.874 23.031 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.031 17.626 22.046 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.293 17.351 23.231 1.00 0.00 H new ATOM 318 N ASP A 20 4.371 18.351 20.177 1.00 0.00 N ATOM 319 CA ASP A 20 5.413 17.803 19.318 1.00 0.00 C ATOM 320 C ASP A 20 6.266 18.917 18.719 1.00 0.00 C ATOM 321 O ASP A 20 6.410 19.015 17.500 1.00 0.00 O ATOM 322 CB ASP A 20 4.793 16.962 18.201 1.00 0.00 C ATOM 323 CG ASP A 20 4.488 15.545 18.644 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.425 15.333 19.264 1.00 0.00 O ATOM 325 OD2 ASP A 20 5.312 14.647 18.372 1.00 0.00 O ATOM 0 H ASP A 20 3.461 18.450 19.726 1.00 0.00 H new ATOM 0 HA ASP A 20 6.055 17.167 19.928 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.874 17.438 17.859 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.474 16.935 17.350 1.00 0.00 H new ATOM 330 N ILE A 21 6.828 19.754 19.584 1.00 0.00 N ATOM 331 CA ILE A 21 7.667 20.861 19.140 1.00 0.00 C ATOM 332 C ILE A 21 9.015 20.849 19.853 1.00 0.00 C ATOM 333 O ILE A 21 9.089 20.606 21.058 1.00 0.00 O ATOM 334 CB ILE A 21 6.982 22.219 19.383 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.683 22.310 18.579 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.920 23.358 19.015 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.864 23.543 18.892 1.00 0.00 C ATOM 0 H ILE A 21 6.718 19.687 20.596 1.00 0.00 H new ATOM 0 HA ILE A 21 7.824 20.729 18.069 1.00 0.00 H new ATOM 0 HB ILE A 21 6.738 22.303 20.442 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.922 22.303 17.516 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.080 21.424 18.776 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.422 24.311 19.192 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.820 23.300 19.627 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.191 23.280 17.962 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.958 23.542 18.286 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.594 23.542 19.948 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.449 24.435 18.668 1.00 0.00 H new ATOM 349 N ILE A 22 10.078 21.116 19.102 1.00 0.00 N ATOM 350 CA ILE A 22 11.423 21.140 19.663 1.00 0.00 C ATOM 351 C ILE A 22 12.162 22.413 19.266 1.00 0.00 C ATOM 352 O ILE A 22 11.609 23.276 18.583 1.00 0.00 O ATOM 353 CB ILE A 22 12.244 19.920 19.206 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.162 19.761 17.687 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.753 18.660 19.903 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.303 18.960 17.100 1.00 0.00 C ATOM 0 H ILE A 22 10.034 21.319 18.103 1.00 0.00 H new ATOM 0 HA ILE A 22 11.314 21.110 20.747 1.00 0.00 H new ATOM 0 HB ILE A 22 13.287 20.080 19.479 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.220 19.277 17.431 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.148 20.749 17.227 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.343 17.806 19.570 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.860 18.776 20.982 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.704 18.494 19.658 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.179 18.888 16.019 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.248 19.454 17.325 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.305 17.959 17.532 1.00 0.00 H new ATOM 368 N ILE A 23 13.414 22.523 19.697 1.00 0.00 N ATOM 369 CA ILE A 23 14.229 23.690 19.384 1.00 0.00 C ATOM 370 C ILE A 23 14.634 23.700 17.914 1.00 0.00 C ATOM 371 O ILE A 23 14.879 24.757 17.333 1.00 0.00 O ATOM 372 CB ILE A 23 15.499 23.739 20.255 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.126 23.877 21.732 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.395 24.888 19.819 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.873 22.553 22.418 1.00 0.00 C ATOM 0 H ILE A 23 13.886 21.818 20.264 1.00 0.00 H new ATOM 0 HA ILE A 23 13.618 24.568 19.596 1.00 0.00 H new ATOM 0 HB ILE A 23 16.048 22.806 20.125 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.928 24.400 22.253 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.234 24.497 21.817 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.288 24.910 20.443 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.684 24.749 18.777 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.856 25.830 19.924 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.614 22.728 23.462 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.051 22.037 21.922 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.772 21.938 22.365 1.00 0.00 H new ATOM 387 N LYS A 24 14.700 22.515 17.316 1.00 0.00 N ATOM 388 CA LYS A 24 15.071 22.385 15.912 1.00 0.00 C ATOM 389 C LYS A 24 13.835 22.401 15.019 1.00 0.00 C ATOM 390 O LYS A 24 13.934 22.226 13.804 1.00 0.00 O ATOM 391 CB LYS A 24 15.859 21.092 15.689 1.00 0.00 C ATOM 392 CG LYS A 24 17.282 21.148 16.216 1.00 0.00 C ATOM 393 CD LYS A 24 17.386 20.550 17.608 1.00 0.00 C ATOM 394 CE LYS A 24 18.826 20.521 18.097 1.00 0.00 C ATOM 395 NZ LYS A 24 18.907 20.359 19.575 1.00 0.00 N ATOM 0 H LYS A 24 14.501 21.630 17.783 1.00 0.00 H new ATOM 0 HA LYS A 24 15.699 23.236 15.648 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.334 20.268 16.173 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.884 20.871 14.622 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.943 20.609 15.537 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.622 22.183 16.238 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.777 21.131 18.301 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.983 19.537 17.601 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.358 19.702 17.612 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.327 21.444 17.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.905 20.344 19.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.422 21.154 20.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.451 19.466 19.852 1.00 0.00 H new ATOM 409 N CYS A 25 12.673 22.612 15.628 1.00 0.00 N ATOM 410 CA CYS A 25 11.418 22.652 14.886 1.00 0.00 C ATOM 411 C CYS A 25 11.107 24.069 14.418 1.00 0.00 C ATOM 412 O CYS A 25 11.307 25.034 15.155 1.00 0.00 O ATOM 413 CB CYS A 25 10.273 22.126 15.753 1.00 0.00 C ATOM 414 SG CYS A 25 8.626 22.480 15.096 1.00 0.00 S ATOM 0 H CYS A 25 12.574 22.758 16.633 1.00 0.00 H new ATOM 0 HA CYS A 25 11.523 22.014 14.008 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.383 21.047 15.866 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.356 22.561 16.749 1.00 0.00 H new ATOM 0 HG CYS A 25 7.725 21.994 15.898 1.00 0.00 H new ATOM 420 N GLN A 26 10.619 24.187 13.187 1.00 0.00 N ATOM 421 CA GLN A 26 10.283 25.487 12.620 1.00 0.00 C ATOM 422 C GLN A 26 8.821 25.532 12.187 1.00 0.00 C ATOM 423 O GLN A 26 8.347 24.645 11.475 1.00 0.00 O ATOM 424 CB GLN A 26 11.190 25.796 11.427 1.00 0.00 C ATOM 425 CG GLN A 26 12.646 26.009 11.809 1.00 0.00 C ATOM 426 CD GLN A 26 13.421 26.769 10.751 1.00 0.00 C ATOM 427 OE1 GLN A 26 13.200 27.962 10.539 1.00 0.00 O ATOM 428 NE2 GLN A 26 14.337 26.081 10.079 1.00 0.00 N ATOM 0 H GLN A 26 10.448 23.398 12.564 1.00 0.00 H new ATOM 0 HA GLN A 26 10.437 26.242 13.391 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.127 24.976 10.711 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.821 26.689 10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.694 26.554 12.752 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.119 25.041 11.976 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.488 25.094 10.287 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.890 26.540 9.355 1.00 0.00 H new ATOM 437 N CYS A 27 8.112 26.567 12.622 1.00 0.00 N ATOM 438 CA CYS A 27 6.703 26.726 12.280 1.00 0.00 C ATOM 439 C CYS A 27 6.379 28.185 11.975 1.00 0.00 C ATOM 440 O CYS A 27 7.184 29.079 12.240 1.00 0.00 O ATOM 441 CB CYS A 27 5.820 26.224 13.423 1.00 0.00 C ATOM 442 SG CYS A 27 6.210 26.950 15.032 1.00 0.00 S ATOM 0 H CYS A 27 8.489 27.309 13.212 1.00 0.00 H new ATOM 0 HA CYS A 27 6.502 26.133 11.387 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.778 26.437 13.183 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.916 25.140 13.493 1.00 0.00 H new ATOM 0 HG CYS A 27 5.408 26.465 15.933 1.00 0.00 H new ATOM 448 N TRP A 28 5.197 28.418 11.416 1.00 0.00 N ATOM 449 CA TRP A 28 4.768 29.769 11.073 1.00 0.00 C ATOM 450 C TRP A 28 4.018 30.414 12.234 1.00 0.00 C ATOM 451 O TRP A 28 3.187 29.775 12.880 1.00 0.00 O ATOM 452 CB TRP A 28 3.879 29.743 9.828 1.00 0.00 C ATOM 453 CG TRP A 28 4.625 29.405 8.573 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.066 28.171 8.189 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.017 30.314 7.538 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.710 28.258 6.978 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.693 29.561 6.557 1.00 0.00 C ATOM 458 CE3 TRP A 28 4.862 31.689 7.344 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.212 30.140 5.402 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.378 32.262 6.197 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.046 31.489 5.238 1.00 0.00 C ATOM 0 H TRP A 28 4.519 27.690 11.191 1.00 0.00 H new ATOM 0 HA TRP A 28 5.657 30.364 10.864 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.081 29.015 9.975 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.404 30.717 9.709 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.929 27.261 8.754 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.132 27.478 6.474 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.348 32.293 8.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.727 29.546 4.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.264 33.324 6.037 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.438 31.967 4.352 1.00 0.00 H new ATOM 472 N VAL A 29 4.318 31.682 12.494 1.00 0.00 N ATOM 473 CA VAL A 29 3.671 32.413 13.578 1.00 0.00 C ATOM 474 C VAL A 29 2.787 33.531 13.035 1.00 0.00 C ATOM 475 O VAL A 29 3.140 34.197 12.062 1.00 0.00 O ATOM 476 CB VAL A 29 4.707 33.016 14.545 1.00 0.00 C ATOM 477 CG1 VAL A 29 4.016 33.633 15.751 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.710 31.957 14.978 1.00 0.00 C ATOM 0 H VAL A 29 5.004 32.225 11.970 1.00 0.00 H new ATOM 0 HA VAL A 29 3.054 31.696 14.120 1.00 0.00 H new ATOM 0 HB VAL A 29 5.249 33.806 14.024 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.764 34.054 16.423 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.341 34.422 15.419 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.447 32.866 16.276 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.435 32.400 15.661 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.186 31.144 15.482 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.228 31.567 14.102 1.00 0.00 H new ATOM 488 N GLN A 30 1.639 33.732 13.673 1.00 0.00 N ATOM 489 CA GLN A 30 0.704 34.770 13.254 1.00 0.00 C ATOM 490 C GLN A 30 1.094 36.122 13.841 1.00 0.00 C ATOM 491 O GLN A 30 1.078 36.311 15.058 1.00 0.00 O ATOM 492 CB GLN A 30 -0.719 34.406 13.679 1.00 0.00 C ATOM 493 CG GLN A 30 -1.791 34.957 12.752 1.00 0.00 C ATOM 494 CD GLN A 30 -3.171 34.938 13.379 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.566 35.879 14.068 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.913 33.862 13.143 1.00 0.00 N ATOM 0 H GLN A 30 1.334 33.190 14.482 1.00 0.00 H new ATOM 0 HA GLN A 30 0.743 34.842 12.167 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.810 33.321 13.722 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.895 34.780 14.687 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.536 35.980 12.475 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.806 34.372 11.832 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.545 33.106 12.566 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.850 33.792 13.539 1.00 0.00 H new ATOM 505 N LYS A 31 1.443 37.062 12.970 1.00 0.00 N ATOM 506 CA LYS A 31 1.836 38.399 13.401 1.00 0.00 C ATOM 507 C LYS A 31 1.331 39.456 12.425 1.00 0.00 C ATOM 508 O LYS A 31 1.421 39.286 11.210 1.00 0.00 O ATOM 509 CB LYS A 31 3.359 38.490 13.525 1.00 0.00 C ATOM 510 CG LYS A 31 3.825 39.238 14.761 1.00 0.00 C ATOM 511 CD LYS A 31 3.392 38.533 16.036 1.00 0.00 C ATOM 512 CE LYS A 31 4.065 39.133 17.261 1.00 0.00 C ATOM 513 NZ LYS A 31 5.261 38.348 17.677 1.00 0.00 N ATOM 0 H LYS A 31 1.462 36.923 11.960 1.00 0.00 H new ATOM 0 HA LYS A 31 1.386 38.586 14.376 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.774 37.482 13.542 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.758 38.984 12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.911 39.328 14.745 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.421 40.250 14.749 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.310 38.604 16.143 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.636 37.473 15.968 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.361 40.160 17.046 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.352 39.172 18.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.061 37.859 18.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.488 37.647 16.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.070 38.989 17.805 1.00 0.00 H new ATOM 527 N ASN A 32 0.800 40.548 12.965 1.00 0.00 N ATOM 528 CA ASN A 32 0.281 41.634 12.141 1.00 0.00 C ATOM 529 C ASN A 32 -0.728 41.110 11.123 1.00 0.00 C ATOM 530 O ASN A 32 -0.626 41.394 9.930 1.00 0.00 O ATOM 531 CB ASN A 32 1.426 42.347 11.420 1.00 0.00 C ATOM 532 CG ASN A 32 2.234 43.231 12.350 1.00 0.00 C ATOM 533 OD1 ASN A 32 3.376 42.917 12.687 1.00 0.00 O ATOM 534 ND2 ASN A 32 1.643 44.343 12.770 1.00 0.00 N ATOM 0 H ASN A 32 0.718 40.705 13.970 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.225 42.344 12.796 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.083 41.606 10.966 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.020 42.952 10.609 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.137 44.977 13.398 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.695 44.563 12.465 1.00 0.00 H new ATOM 541 N ASP A 33 -1.702 40.345 11.604 1.00 0.00 N ATOM 542 CA ASP A 33 -2.731 39.782 10.737 1.00 0.00 C ATOM 543 C ASP A 33 -2.104 39.046 9.557 1.00 0.00 C ATOM 544 O ASP A 33 -2.700 38.955 8.484 1.00 0.00 O ATOM 545 CB ASP A 33 -3.660 40.886 10.231 1.00 0.00 C ATOM 546 CG ASP A 33 -4.674 41.313 11.273 1.00 0.00 C ATOM 547 OD1 ASP A 33 -4.697 40.705 12.364 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.445 42.257 10.999 1.00 0.00 O ATOM 0 H ASP A 33 -1.801 40.101 12.589 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.312 39.067 11.320 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.065 41.749 9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.183 40.537 9.341 1.00 0.00 H new ATOM 553 N GLU A 34 -0.899 38.524 9.764 1.00 0.00 N ATOM 554 CA GLU A 34 -0.192 37.798 8.716 1.00 0.00 C ATOM 555 C GLU A 34 0.524 36.577 9.288 1.00 0.00 C ATOM 556 O GLU A 34 0.506 36.345 10.496 1.00 0.00 O ATOM 557 CB GLU A 34 0.816 38.715 8.020 1.00 0.00 C ATOM 558 CG GLU A 34 0.178 39.702 7.058 1.00 0.00 C ATOM 559 CD GLU A 34 -0.082 39.099 5.691 1.00 0.00 C ATOM 560 OE1 GLU A 34 0.828 38.436 5.151 1.00 0.00 O ATOM 561 OE2 GLU A 34 -1.197 39.290 5.161 1.00 0.00 O ATOM 0 H GLU A 34 -0.393 38.590 10.647 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.927 37.458 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.375 39.267 8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.535 38.103 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.762 40.058 7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.828 40.570 6.950 1.00 0.00 H new ATOM 568 N GLU A 35 1.152 35.802 8.410 1.00 0.00 N ATOM 569 CA GLU A 35 1.873 34.605 8.827 1.00 0.00 C ATOM 570 C GLU A 35 3.323 34.650 8.354 1.00 0.00 C ATOM 571 O GLU A 35 3.595 34.840 7.168 1.00 0.00 O ATOM 572 CB GLU A 35 1.186 33.352 8.280 1.00 0.00 C ATOM 573 CG GLU A 35 0.916 33.409 6.786 1.00 0.00 C ATOM 574 CD GLU A 35 -0.542 33.170 6.447 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.190 32.365 7.148 1.00 0.00 O ATOM 576 OE2 GLU A 35 -1.036 33.788 5.480 1.00 0.00 O ATOM 0 H GLU A 35 1.176 35.981 7.406 1.00 0.00 H new ATOM 0 HA GLU A 35 1.865 34.569 9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.808 32.483 8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.242 33.206 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.219 34.383 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.530 32.663 6.281 1.00 0.00 H new ATOM 583 N ARG A 36 4.250 34.476 9.290 1.00 0.00 N ATOM 584 CA ARG A 36 5.673 34.499 8.970 1.00 0.00 C ATOM 585 C ARG A 36 6.377 33.270 9.538 1.00 0.00 C ATOM 586 O ARG A 36 6.009 32.765 10.599 1.00 0.00 O ATOM 587 CB ARG A 36 6.320 35.771 9.520 1.00 0.00 C ATOM 588 CG ARG A 36 5.830 37.043 8.849 1.00 0.00 C ATOM 589 CD ARG A 36 6.645 38.252 9.281 1.00 0.00 C ATOM 590 NE ARG A 36 6.207 39.475 8.614 1.00 0.00 N ATOM 591 CZ ARG A 36 6.434 39.734 7.331 1.00 0.00 C ATOM 592 NH1 ARG A 36 7.090 38.860 6.581 1.00 0.00 N ATOM 593 NH2 ARG A 36 6.004 40.870 6.796 1.00 0.00 N ATOM 0 H ARG A 36 4.042 34.318 10.276 1.00 0.00 H new ATOM 0 HA ARG A 36 5.777 34.487 7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.122 35.836 10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.401 35.700 9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.890 36.931 7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.780 37.204 9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.562 38.378 10.360 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.698 38.077 9.061 1.00 0.00 H new ATOM 0 HE ARG A 36 5.699 40.168 9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.422 37.986 6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.263 39.061 5.596 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.499 41.545 7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.179 41.068 5.811 1.00 0.00 H new ATOM 607 N LEU A 37 7.391 32.794 8.824 1.00 0.00 N ATOM 608 CA LEU A 37 8.148 31.624 9.256 1.00 0.00 C ATOM 609 C LEU A 37 8.999 31.947 10.479 1.00 0.00 C ATOM 610 O LEU A 37 9.780 32.898 10.471 1.00 0.00 O ATOM 611 CB LEU A 37 9.039 31.120 8.119 1.00 0.00 C ATOM 612 CG LEU A 37 9.683 29.749 8.328 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.828 28.657 7.706 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.088 29.726 7.745 1.00 0.00 C ATOM 0 H LEU A 37 7.708 33.200 7.944 1.00 0.00 H new ATOM 0 HA LEU A 37 7.438 30.842 9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.444 31.084 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.831 31.850 7.954 1.00 0.00 H new ATOM 0 HG LEU A 37 9.752 29.561 9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.302 27.689 7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.842 28.658 8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.726 28.840 6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.531 28.743 7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.042 29.936 6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.699 30.483 8.238 1.00 0.00 H new ATOM 626 N ALA A 38 8.844 31.147 11.529 1.00 0.00 N ATOM 627 CA ALA A 38 9.601 31.346 12.759 1.00 0.00 C ATOM 628 C ALA A 38 10.233 30.041 13.231 1.00 0.00 C ATOM 629 O ALA A 38 9.609 28.982 13.172 1.00 0.00 O ATOM 630 CB ALA A 38 8.704 31.923 13.844 1.00 0.00 C ATOM 0 H ALA A 38 8.201 30.355 11.552 1.00 0.00 H new ATOM 0 HA ALA A 38 10.403 32.054 12.552 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.283 32.066 14.756 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.304 32.882 13.514 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.882 31.235 14.040 1.00 0.00 H new ATOM 636 N GLU A 39 11.475 30.125 13.699 1.00 0.00 N ATOM 637 CA GLU A 39 12.190 28.949 14.180 1.00 0.00 C ATOM 638 C GLU A 39 12.152 28.874 15.703 1.00 0.00 C ATOM 639 O GLU A 39 12.478 29.842 16.391 1.00 0.00 O ATOM 640 CB GLU A 39 13.642 28.974 13.696 1.00 0.00 C ATOM 641 CG GLU A 39 14.514 27.905 14.331 1.00 0.00 C ATOM 642 CD GLU A 39 15.895 27.832 13.708 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.020 27.244 12.613 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.849 28.362 14.314 1.00 0.00 O ATOM 0 H GLU A 39 12.006 30.994 13.755 1.00 0.00 H new ATOM 0 HA GLU A 39 11.695 28.065 13.777 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.657 28.848 12.613 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.070 29.954 13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.611 28.107 15.398 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.024 26.936 14.233 1.00 0.00 H new ATOM 651 N ILE A 40 11.752 27.718 16.223 1.00 0.00 N ATOM 652 CA ILE A 40 11.671 27.516 17.664 1.00 0.00 C ATOM 653 C ILE A 40 13.047 27.620 18.312 1.00 0.00 C ATOM 654 O ILE A 40 14.046 27.167 17.750 1.00 0.00 O ATOM 655 CB ILE A 40 11.057 26.146 18.007 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.660 26.021 17.395 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.999 25.954 19.515 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.657 26.993 17.975 1.00 0.00 C ATOM 0 H ILE A 40 11.479 26.907 15.667 1.00 0.00 H new ATOM 0 HA ILE A 40 11.027 28.302 18.057 1.00 0.00 H new ATOM 0 HB ILE A 40 11.690 25.365 17.585 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.728 26.181 16.319 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.297 25.004 17.544 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.563 24.981 19.741 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.007 26.004 19.927 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.386 26.739 19.958 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.690 26.847 17.495 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.560 26.819 19.047 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.998 28.014 17.802 1.00 0.00 H new ATOM 670 N LEU A 41 13.094 28.218 19.497 1.00 0.00 N ATOM 671 CA LEU A 41 14.348 28.380 20.224 1.00 0.00 C ATOM 672 C LEU A 41 14.332 27.583 21.524 1.00 0.00 C ATOM 673 O LEU A 41 15.308 26.916 21.868 1.00 0.00 O ATOM 674 CB LEU A 41 14.600 29.859 20.522 1.00 0.00 C ATOM 675 CG LEU A 41 15.085 30.708 19.347 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.286 32.153 19.779 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.374 30.137 18.773 1.00 0.00 C ATOM 0 H LEU A 41 12.278 28.599 19.975 1.00 0.00 H new ATOM 0 HA LEU A 41 15.154 27.999 19.597 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.676 30.295 20.902 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.337 29.927 21.322 1.00 0.00 H new ATOM 0 HG LEU A 41 14.322 30.686 18.568 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.631 32.742 18.929 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.342 32.559 20.142 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.029 32.195 20.575 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.705 30.754 17.937 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.144 30.129 19.545 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.198 29.119 18.425 1.00 0.00 H new ATOM 689 N SER A 42 13.215 27.654 22.241 1.00 0.00 N ATOM 690 CA SER A 42 13.071 26.940 23.505 1.00 0.00 C ATOM 691 C SER A 42 11.601 26.675 23.814 1.00 0.00 C ATOM 692 O SER A 42 10.711 27.151 23.109 1.00 0.00 O ATOM 693 CB SER A 42 13.708 27.740 24.643 1.00 0.00 C ATOM 694 OG SER A 42 14.583 26.930 25.408 1.00 0.00 O ATOM 0 H SER A 42 12.397 28.198 21.969 1.00 0.00 H new ATOM 0 HA SER A 42 13.583 25.982 23.414 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.257 28.587 24.233 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.928 28.147 25.287 1.00 0.00 H new ATOM 0 HG SER A 42 14.979 27.465 26.128 1.00 0.00 H new ATOM 700 N ILE A 43 11.355 25.912 24.874 1.00 0.00 N ATOM 701 CA ILE A 43 9.993 25.584 25.279 1.00 0.00 C ATOM 702 C ILE A 43 9.765 25.906 26.751 1.00 0.00 C ATOM 703 O ILE A 43 10.669 25.773 27.574 1.00 0.00 O ATOM 704 CB ILE A 43 9.677 24.096 25.035 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.958 23.724 23.578 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.229 23.798 25.394 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.898 22.236 23.312 1.00 0.00 C ATOM 0 H ILE A 43 12.080 25.510 25.468 1.00 0.00 H new ATOM 0 HA ILE A 43 9.326 26.194 24.669 1.00 0.00 H new ATOM 0 HB ILE A 43 10.322 23.493 25.674 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.236 24.229 22.937 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.945 24.095 23.301 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.020 22.743 25.217 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.060 24.030 26.446 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.568 24.408 24.777 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.107 22.046 22.259 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.640 21.726 23.927 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.904 21.862 23.558 1.00 0.00 H new ATOM 719 N ASN A 44 8.548 26.330 27.077 1.00 0.00 N ATOM 720 CA ASN A 44 8.199 26.671 28.451 1.00 0.00 C ATOM 721 C ASN A 44 6.793 26.187 28.792 1.00 0.00 C ATOM 722 O ASN A 44 5.801 26.835 28.454 1.00 0.00 O ATOM 723 CB ASN A 44 8.295 28.183 28.664 1.00 0.00 C ATOM 724 CG ASN A 44 7.806 28.606 30.036 1.00 0.00 C ATOM 725 OD1 ASN A 44 7.868 27.836 30.994 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.315 29.836 30.135 1.00 0.00 N ATOM 0 H ASN A 44 7.787 26.446 26.408 1.00 0.00 H new ATOM 0 HA ASN A 44 8.907 26.172 29.113 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.330 28.500 28.537 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.709 28.693 27.899 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.970 30.177 31.032 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.283 30.440 29.314 1.00 0.00 H new ATOM 733 N THR A 45 6.713 25.042 29.463 1.00 0.00 N ATOM 734 CA THR A 45 5.430 24.470 29.849 1.00 0.00 C ATOM 735 C THR A 45 5.109 24.774 31.308 1.00 0.00 C ATOM 736 O THR A 45 4.669 23.898 32.053 1.00 0.00 O ATOM 737 CB THR A 45 5.408 22.944 29.638 1.00 0.00 C ATOM 738 OG1 THR A 45 6.599 22.359 30.176 1.00 0.00 O ATOM 739 CG2 THR A 45 5.292 22.604 28.160 1.00 0.00 C ATOM 0 H THR A 45 7.523 24.493 29.750 1.00 0.00 H new ATOM 0 HA THR A 45 4.675 24.929 29.210 1.00 0.00 H new ATOM 0 HB THR A 45 4.539 22.539 30.156 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.577 21.389 30.040 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.278 21.521 28.036 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.370 23.027 27.761 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.144 23.020 27.623 1.00 0.00 H new ATOM 747 N ARG A 46 5.331 26.021 31.710 1.00 0.00 N ATOM 748 CA ARG A 46 5.065 26.441 33.081 1.00 0.00 C ATOM 749 C ARG A 46 3.725 27.164 33.178 1.00 0.00 C ATOM 750 O ARG A 46 3.409 27.774 34.200 1.00 0.00 O ATOM 751 CB ARG A 46 6.186 27.352 33.585 1.00 0.00 C ATOM 752 CG ARG A 46 6.083 28.781 33.079 1.00 0.00 C ATOM 753 CD ARG A 46 7.292 29.607 33.490 1.00 0.00 C ATOM 754 NE ARG A 46 7.011 31.039 33.466 1.00 0.00 N ATOM 755 CZ ARG A 46 7.783 31.950 34.047 1.00 0.00 C ATOM 756 NH1 ARG A 46 8.879 31.579 34.695 1.00 0.00 N ATOM 757 NH2 ARG A 46 7.461 33.235 33.981 1.00 0.00 N ATOM 0 H ARG A 46 5.694 26.758 31.106 1.00 0.00 H new ATOM 0 HA ARG A 46 5.023 25.549 33.706 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.174 27.360 34.675 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.146 26.936 33.280 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.996 28.778 31.993 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.176 29.242 33.470 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.606 29.316 34.493 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.124 29.390 32.820 1.00 0.00 H new ATOM 0 HE ARG A 46 6.175 31.358 32.976 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.131 30.592 34.748 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.470 32.281 35.140 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.619 33.525 33.483 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.055 33.933 34.428 1.00 0.00 H new ATOM 771 N LYS A 47 2.941 27.091 32.109 1.00 0.00 N ATOM 772 CA LYS A 47 1.634 27.738 32.072 1.00 0.00 C ATOM 773 C LYS A 47 0.608 26.853 31.371 1.00 0.00 C ATOM 774 O LYS A 47 0.943 25.785 30.859 1.00 0.00 O ATOM 775 CB LYS A 47 1.730 29.088 31.358 1.00 0.00 C ATOM 776 CG LYS A 47 0.783 30.138 31.912 1.00 0.00 C ATOM 777 CD LYS A 47 1.368 31.535 31.794 1.00 0.00 C ATOM 778 CE LYS A 47 0.669 32.513 32.728 1.00 0.00 C ATOM 779 NZ LYS A 47 -0.755 32.722 32.346 1.00 0.00 N ATOM 0 H LYS A 47 3.187 26.590 31.255 1.00 0.00 H new ATOM 0 HA LYS A 47 1.308 27.899 33.099 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.753 29.457 31.433 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.520 28.945 30.298 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.165 30.093 31.376 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.568 29.920 32.958 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.432 31.506 32.027 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.276 31.884 30.765 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.720 32.138 33.750 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.193 33.468 32.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.196 33.394 33.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.803 33.103 31.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.262 31.815 32.386 1.00 0.00 H new ATOM 793 N ALA A 48 -0.641 27.304 31.352 1.00 0.00 N ATOM 794 CA ALA A 48 -1.715 26.555 30.711 1.00 0.00 C ATOM 795 C ALA A 48 -2.662 27.485 29.961 1.00 0.00 C ATOM 796 O ALA A 48 -3.433 28.237 30.558 1.00 0.00 O ATOM 797 CB ALA A 48 -2.479 25.740 31.744 1.00 0.00 C ATOM 0 H ALA A 48 -0.935 28.185 31.773 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.268 25.875 29.986 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.278 25.186 31.252 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.799 25.041 32.231 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.908 26.409 32.490 1.00 0.00 H new ATOM 803 N PRO A 49 -2.606 27.435 28.622 1.00 0.00 N ATOM 804 CA PRO A 49 -1.692 26.544 27.901 1.00 0.00 C ATOM 805 C PRO A 49 -0.234 26.969 28.045 1.00 0.00 C ATOM 806 O PRO A 49 0.074 28.075 28.488 1.00 0.00 O ATOM 807 CB PRO A 49 -2.146 26.674 26.445 1.00 0.00 C ATOM 808 CG PRO A 49 -2.791 28.014 26.367 1.00 0.00 C ATOM 809 CD PRO A 49 -3.429 28.245 27.709 1.00 0.00 C ATOM 0 HA PRO A 49 -1.729 25.524 28.284 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.302 26.601 25.759 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.845 25.882 26.176 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.057 28.788 26.146 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.535 28.043 25.571 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.415 29.300 27.984 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.471 27.927 27.718 1.00 0.00 H new ATOM 817 N PRO A 50 0.685 26.071 27.661 1.00 0.00 N ATOM 818 CA PRO A 50 2.126 26.331 27.737 1.00 0.00 C ATOM 819 C PRO A 50 2.580 27.376 26.723 1.00 0.00 C ATOM 820 O PRO A 50 1.857 27.697 25.780 1.00 0.00 O ATOM 821 CB PRO A 50 2.749 24.970 27.419 1.00 0.00 C ATOM 822 CG PRO A 50 1.721 24.263 26.606 1.00 0.00 C ATOM 823 CD PRO A 50 0.389 24.733 27.123 1.00 0.00 C ATOM 0 HA PRO A 50 2.418 26.732 28.708 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.682 25.081 26.867 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.981 24.418 28.330 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.833 24.496 25.547 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.819 23.182 26.707 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.358 24.775 26.330 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.001 24.067 27.893 1.00 0.00 H new ATOM 831 N LYS A 51 3.783 27.903 26.923 1.00 0.00 N ATOM 832 CA LYS A 51 4.337 28.910 26.026 1.00 0.00 C ATOM 833 C LYS A 51 5.575 28.380 25.310 1.00 0.00 C ATOM 834 O LYS A 51 6.189 27.408 25.749 1.00 0.00 O ATOM 835 CB LYS A 51 4.689 30.179 26.806 1.00 0.00 C ATOM 836 CG LYS A 51 3.481 31.024 27.172 1.00 0.00 C ATOM 837 CD LYS A 51 3.845 32.118 28.161 1.00 0.00 C ATOM 838 CE LYS A 51 2.822 33.243 28.148 1.00 0.00 C ATOM 839 NZ LYS A 51 3.447 34.565 28.431 1.00 0.00 N ATOM 0 H LYS A 51 4.394 27.649 27.699 1.00 0.00 H new ATOM 0 HA LYS A 51 3.581 29.149 25.278 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.216 29.900 27.718 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.376 30.781 26.212 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.062 31.472 26.271 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.707 30.387 27.601 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.911 31.696 29.164 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.830 32.517 27.918 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.330 33.275 27.176 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.050 33.040 28.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.717 35.305 28.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.895 34.543 29.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.166 34.771 27.708 1.00 0.00 H new ATOM 853 N PHE A 52 5.936 29.026 24.206 1.00 0.00 N ATOM 854 CA PHE A 52 7.102 28.620 23.430 1.00 0.00 C ATOM 855 C PHE A 52 7.875 29.837 22.932 1.00 0.00 C ATOM 856 O PHE A 52 7.304 30.909 22.728 1.00 0.00 O ATOM 857 CB PHE A 52 6.674 27.753 22.244 1.00 0.00 C ATOM 858 CG PHE A 52 5.900 26.529 22.644 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.555 26.618 22.963 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.518 25.291 22.701 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.840 25.494 23.331 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.808 24.163 23.067 1.00 0.00 C ATOM 863 CZ PHE A 52 4.467 24.265 23.384 1.00 0.00 C ATOM 0 H PHE A 52 5.438 29.832 23.829 1.00 0.00 H new ATOM 0 HA PHE A 52 7.756 28.038 24.080 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.066 28.353 21.567 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.561 27.447 21.689 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.059 27.577 22.924 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.567 25.206 22.457 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.792 25.577 23.577 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.301 23.203 23.105 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.911 23.385 23.673 1.00 0.00 H new ATOM 873 N TYR A 53 9.178 29.664 22.738 1.00 0.00 N ATOM 874 CA TYR A 53 10.031 30.749 22.267 1.00 0.00 C ATOM 875 C TYR A 53 10.292 30.625 20.769 1.00 0.00 C ATOM 876 O TYR A 53 10.908 29.662 20.312 1.00 0.00 O ATOM 877 CB TYR A 53 11.357 30.750 23.029 1.00 0.00 C ATOM 878 CG TYR A 53 12.001 32.115 23.122 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.269 33.223 23.532 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.340 32.297 22.799 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.853 34.473 23.617 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.932 33.543 22.883 1.00 0.00 C ATOM 883 CZ TYR A 53 13.185 34.627 23.293 1.00 0.00 C ATOM 884 OH TYR A 53 13.770 35.869 23.376 1.00 0.00 O ATOM 0 H TYR A 53 9.666 28.783 22.900 1.00 0.00 H new ATOM 0 HA TYR A 53 9.514 31.691 22.450 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.188 30.368 24.036 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.048 30.064 22.539 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.227 33.105 23.788 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.928 31.450 22.477 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.270 35.324 23.935 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.974 33.667 22.629 1.00 0.00 H new ATOM 0 HH TYR A 53 14.546 35.905 22.779 1.00 0.00 H new ATOM 894 N VAL A 54 9.819 31.608 20.009 1.00 0.00 N ATOM 895 CA VAL A 54 10.002 31.611 18.563 1.00 0.00 C ATOM 896 C VAL A 54 10.924 32.745 18.128 1.00 0.00 C ATOM 897 O VAL A 54 11.035 33.765 18.809 1.00 0.00 O ATOM 898 CB VAL A 54 8.656 31.749 17.828 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.831 30.480 17.982 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.890 32.959 18.341 1.00 0.00 C ATOM 0 H VAL A 54 9.306 32.412 20.371 1.00 0.00 H new ATOM 0 HA VAL A 54 10.456 30.656 18.299 1.00 0.00 H new ATOM 0 HB VAL A 54 8.855 31.898 16.767 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.883 30.596 17.456 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.379 29.637 17.561 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.639 30.297 19.039 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.941 33.041 17.810 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.700 32.844 19.408 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.479 33.861 18.173 1.00 0.00 H new ATOM 910 N HIS A 55 11.585 32.560 16.990 1.00 0.00 N ATOM 911 CA HIS A 55 12.498 33.568 16.463 1.00 0.00 C ATOM 912 C HIS A 55 12.291 33.757 14.963 1.00 0.00 C ATOM 913 O HIS A 55 12.540 32.847 14.172 1.00 0.00 O ATOM 914 CB HIS A 55 13.947 33.170 16.743 1.00 0.00 C ATOM 915 CG HIS A 55 14.943 33.896 15.892 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.878 35.251 15.648 1.00 0.00 N ATOM 917 CD2 HIS A 55 16.034 33.447 15.228 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.885 35.605 14.869 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.601 34.528 14.600 1.00 0.00 N ATOM 0 H HIS A 55 11.506 31.721 16.415 1.00 0.00 H new ATOM 0 HA HIS A 55 12.285 34.513 16.963 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.171 33.360 17.793 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.058 32.098 16.583 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.392 32.428 15.198 1.00 0.00 H new ATOM 0 HE1 HIS A 55 16.088 36.604 14.513 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.439 34.504 14.020 1.00 0.00 H new ATOM 927 N TYR A 56 11.834 34.944 14.579 1.00 0.00 N ATOM 928 CA TYR A 56 11.591 35.251 13.175 1.00 0.00 C ATOM 929 C TYR A 56 12.882 35.167 12.367 1.00 0.00 C ATOM 930 O TYR A 56 13.754 36.030 12.475 1.00 0.00 O ATOM 931 CB TYR A 56 10.979 36.646 13.035 1.00 0.00 C ATOM 932 CG TYR A 56 9.554 36.735 13.533 1.00 0.00 C ATOM 933 CD1 TYR A 56 8.490 36.346 12.728 1.00 0.00 C ATOM 934 CD2 TYR A 56 9.271 37.207 14.809 1.00 0.00 C ATOM 935 CE1 TYR A 56 7.187 36.426 13.178 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.971 37.289 15.268 1.00 0.00 C ATOM 937 CZ TYR A 56 6.933 36.898 14.449 1.00 0.00 C ATOM 938 OH TYR A 56 5.636 36.978 14.902 1.00 0.00 O ATOM 0 H TYR A 56 11.625 35.709 15.220 1.00 0.00 H new ATOM 0 HA TYR A 56 10.891 34.513 12.784 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.592 37.360 13.585 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.008 36.943 11.987 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.686 35.975 11.733 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.082 37.515 15.453 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.372 36.121 12.539 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.769 37.657 16.263 1.00 0.00 H new ATOM 0 HH TYR A 56 5.132 36.197 14.591 1.00 0.00 H new ATOM 948 N VAL A 57 12.998 34.120 11.556 1.00 0.00 N ATOM 949 CA VAL A 57 14.182 33.922 10.727 1.00 0.00 C ATOM 950 C VAL A 57 14.370 35.079 9.752 1.00 0.00 C ATOM 951 O VAL A 57 15.495 35.442 9.413 1.00 0.00 O ATOM 952 CB VAL A 57 14.097 32.605 9.934 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.397 32.347 9.187 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.767 31.445 10.862 1.00 0.00 C ATOM 0 H VAL A 57 12.287 33.396 11.455 1.00 0.00 H new ATOM 0 HA VAL A 57 15.037 33.877 11.401 1.00 0.00 H new ATOM 0 HB VAL A 57 13.295 32.693 9.201 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.318 31.412 8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.587 33.166 8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.219 32.278 9.900 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.711 30.522 10.285 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.545 31.352 11.620 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.808 31.629 11.347 1.00 0.00 H new ATOM 964 N ASN A 58 13.258 35.654 9.304 1.00 0.00 N ATOM 965 CA ASN A 58 13.300 36.771 8.367 1.00 0.00 C ATOM 966 C ASN A 58 13.752 38.050 9.065 1.00 0.00 C ATOM 967 O ASN A 58 14.250 38.976 8.424 1.00 0.00 O ATOM 968 CB ASN A 58 11.925 36.982 7.731 1.00 0.00 C ATOM 969 CG ASN A 58 11.490 35.799 6.888 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.893 35.664 5.732 1.00 0.00 O ATOM 971 ND2 ASN A 58 10.663 34.934 7.463 1.00 0.00 N ATOM 0 H ASN A 58 12.318 35.365 9.574 1.00 0.00 H new ATOM 0 HA ASN A 58 14.021 36.531 7.586 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.188 37.156 8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.948 37.878 7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.336 34.119 6.944 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.354 35.085 8.423 1.00 0.00 H new ATOM 978 N TYR A 59 13.576 38.093 10.380 1.00 0.00 N ATOM 979 CA TYR A 59 13.964 39.259 11.166 1.00 0.00 C ATOM 980 C TYR A 59 15.192 38.957 12.019 1.00 0.00 C ATOM 981 O TYR A 59 15.766 37.873 11.938 1.00 0.00 O ATOM 982 CB TYR A 59 12.805 39.707 12.059 1.00 0.00 C ATOM 983 CG TYR A 59 11.686 40.386 11.303 1.00 0.00 C ATOM 984 CD1 TYR A 59 10.840 39.659 10.474 1.00 0.00 C ATOM 985 CD2 TYR A 59 11.474 41.754 11.418 1.00 0.00 C ATOM 986 CE1 TYR A 59 9.816 40.275 9.781 1.00 0.00 C ATOM 987 CE2 TYR A 59 10.451 42.379 10.730 1.00 0.00 C ATOM 988 CZ TYR A 59 9.625 41.635 9.913 1.00 0.00 C ATOM 989 OH TYR A 59 8.607 42.253 9.225 1.00 0.00 O ATOM 0 H TYR A 59 13.167 37.334 10.925 1.00 0.00 H new ATOM 0 HA TYR A 59 14.214 40.065 10.475 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.404 38.839 12.582 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.186 40.390 12.819 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.986 38.594 10.370 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.120 42.339 12.056 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.169 39.695 9.140 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.299 43.443 10.831 1.00 0.00 H new ATOM 0 HH TYR A 59 8.609 43.211 9.429 1.00 0.00 H new ATOM 999 N ASN A 60 15.587 39.926 12.838 1.00 0.00 N ATOM 1000 CA ASN A 60 16.747 39.766 13.708 1.00 0.00 C ATOM 1001 C ASN A 60 16.367 39.037 14.993 1.00 0.00 C ATOM 1002 O ASN A 60 15.190 38.778 15.249 1.00 0.00 O ATOM 1003 CB ASN A 60 17.353 41.130 14.042 1.00 0.00 C ATOM 1004 CG ASN A 60 18.392 41.566 13.028 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.553 41.161 13.098 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.980 42.396 12.077 1.00 0.00 N ATOM 0 H ASN A 60 15.121 40.830 12.918 1.00 0.00 H new ATOM 0 HA ASN A 60 17.488 39.168 13.177 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.559 41.876 14.088 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.809 41.089 15.031 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.635 42.723 11.367 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.009 42.706 12.057 1.00 0.00 H new ATOM 1013 N LYS A 61 17.370 38.709 15.800 1.00 0.00 N ATOM 1014 CA LYS A 61 17.142 38.012 17.061 1.00 0.00 C ATOM 1015 C LYS A 61 16.380 38.897 18.042 1.00 0.00 C ATOM 1016 O LYS A 61 15.884 38.422 19.064 1.00 0.00 O ATOM 1017 CB LYS A 61 18.475 37.580 17.676 1.00 0.00 C ATOM 1018 CG LYS A 61 19.151 36.444 16.928 1.00 0.00 C ATOM 1019 CD LYS A 61 19.953 35.558 17.866 1.00 0.00 C ATOM 1020 CE LYS A 61 19.100 34.436 18.437 1.00 0.00 C ATOM 1021 NZ LYS A 61 19.234 33.180 17.648 1.00 0.00 N ATOM 0 H LYS A 61 18.350 38.915 15.603 1.00 0.00 H new ATOM 0 HA LYS A 61 16.540 37.127 16.855 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.148 38.437 17.703 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.307 37.274 18.709 1.00 0.00 H new ATOM 0 HG2 LYS A 61 18.398 35.845 16.416 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.809 36.853 16.161 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.803 35.134 17.331 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.357 36.160 18.680 1.00 0.00 H new ATOM 0 HE2 LYS A 61 19.391 34.248 19.470 1.00 0.00 H new ATOM 0 HE3 LYS A 61 18.055 34.746 18.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.637 32.440 18.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.932 33.352 16.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 20.227 32.870 17.655 1.00 0.00 H new ATOM 1035 N ARG A 62 16.290 40.184 17.724 1.00 0.00 N ATOM 1036 CA ARG A 62 15.588 41.135 18.578 1.00 0.00 C ATOM 1037 C ARG A 62 14.081 41.062 18.348 1.00 0.00 C ATOM 1038 O ARG A 62 13.310 41.786 18.979 1.00 0.00 O ATOM 1039 CB ARG A 62 16.087 42.556 18.312 1.00 0.00 C ATOM 1040 CG ARG A 62 15.633 43.122 16.976 1.00 0.00 C ATOM 1041 CD ARG A 62 16.587 44.194 16.473 1.00 0.00 C ATOM 1042 NE ARG A 62 16.309 45.498 17.068 1.00 0.00 N ATOM 1043 CZ ARG A 62 16.961 46.608 16.743 1.00 0.00 C ATOM 1044 NH1 ARG A 62 17.923 46.573 15.832 1.00 0.00 N ATOM 1045 NH2 ARG A 62 16.649 47.757 17.329 1.00 0.00 N ATOM 0 H ARG A 62 16.694 40.592 16.881 1.00 0.00 H new ATOM 0 HA ARG A 62 15.793 40.874 19.616 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.738 43.210 19.111 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.176 42.562 18.348 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.567 42.318 16.242 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.633 43.543 17.079 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.612 43.903 16.701 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.510 44.267 15.388 1.00 0.00 H new ATOM 0 HE ARG A 62 15.573 45.560 17.772 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.164 45.692 15.379 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.422 47.427 15.584 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.908 47.788 18.029 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.150 48.610 17.079 1.00 0.00 H new ATOM 1059 N LEU A 63 13.668 40.184 17.440 1.00 0.00 N ATOM 1060 CA LEU A 63 12.253 40.016 17.126 1.00 0.00 C ATOM 1061 C LEU A 63 11.673 38.808 17.855 1.00 0.00 C ATOM 1062 O LEU A 63 10.474 38.751 18.126 1.00 0.00 O ATOM 1063 CB LEU A 63 12.061 39.856 15.617 1.00 0.00 C ATOM 1064 CG LEU A 63 11.428 41.044 14.892 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.082 41.390 15.508 1.00 0.00 C ATOM 1066 CD2 LEU A 63 12.358 42.248 14.927 1.00 0.00 C ATOM 0 H LEU A 63 14.293 39.578 16.908 1.00 0.00 H new ATOM 0 HA LEU A 63 11.723 40.908 17.461 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.033 39.657 15.166 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.442 38.976 15.441 1.00 0.00 H new ATOM 0 HG LEU A 63 11.267 40.765 13.851 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.647 42.238 14.979 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.415 40.532 15.429 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.218 41.649 16.558 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.891 43.084 14.406 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.552 42.528 15.962 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.299 41.996 14.437 1.00 0.00 H new ATOM 1078 N ASP A 64 12.532 37.846 18.171 1.00 0.00 N ATOM 1079 CA ASP A 64 12.106 36.640 18.871 1.00 0.00 C ATOM 1080 C ASP A 64 11.330 36.992 20.137 1.00 0.00 C ATOM 1081 O ASP A 64 11.458 38.095 20.667 1.00 0.00 O ATOM 1082 CB ASP A 64 13.317 35.775 19.225 1.00 0.00 C ATOM 1083 CG ASP A 64 14.117 36.344 20.380 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.010 37.562 20.634 1.00 0.00 O ATOM 1085 OD2 ASP A 64 14.851 35.570 21.031 1.00 0.00 O ATOM 0 H ASP A 64 13.528 37.878 17.954 1.00 0.00 H new ATOM 0 HA ASP A 64 11.449 36.078 18.208 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.980 34.770 19.480 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.962 35.682 18.351 1.00 0.00 H new ATOM 1090 N GLU A 65 10.526 36.047 20.613 1.00 0.00 N ATOM 1091 CA GLU A 65 9.728 36.259 21.815 1.00 0.00 C ATOM 1092 C GLU A 65 8.992 34.983 22.213 1.00 0.00 C ATOM 1093 O GLU A 65 9.160 33.937 21.586 1.00 0.00 O ATOM 1094 CB GLU A 65 8.723 37.392 21.594 1.00 0.00 C ATOM 1095 CG GLU A 65 7.701 37.095 20.509 1.00 0.00 C ATOM 1096 CD GLU A 65 6.350 37.722 20.794 1.00 0.00 C ATOM 1097 OE1 GLU A 65 6.304 38.710 21.556 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.339 37.225 20.254 1.00 0.00 O ATOM 0 H GLU A 65 10.410 35.128 20.185 1.00 0.00 H new ATOM 0 HA GLU A 65 10.404 36.535 22.624 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.200 37.590 22.530 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.265 38.301 21.332 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.074 37.463 19.553 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.583 36.016 20.411 1.00 0.00 H new ATOM 1105 N TRP A 66 8.179 35.077 23.258 1.00 0.00 N ATOM 1106 CA TRP A 66 7.418 33.930 23.740 1.00 0.00 C ATOM 1107 C TRP A 66 5.978 33.983 23.242 1.00 0.00 C ATOM 1108 O TRP A 66 5.203 34.851 23.647 1.00 0.00 O ATOM 1109 CB TRP A 66 7.440 33.883 25.269 1.00 0.00 C ATOM 1110 CG TRP A 66 8.824 33.830 25.841 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.664 34.886 26.052 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.529 32.661 26.274 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.849 34.444 26.590 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.791 33.083 26.736 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.216 31.300 26.317 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.737 32.191 27.234 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.156 30.416 26.811 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.404 30.864 27.264 1.00 0.00 C ATOM 0 H TRP A 66 8.029 35.935 23.788 1.00 0.00 H new ATOM 0 HA TRP A 66 7.885 33.026 23.349 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.926 34.761 25.660 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.881 33.010 25.607 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.431 35.917 25.829 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.643 35.034 26.840 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.257 30.945 25.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.699 32.534 27.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.925 29.362 26.849 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.117 30.148 27.644 1.00 0.00 H new ATOM 1129 N ILE A 67 5.625 33.052 22.362 1.00 0.00 N ATOM 1130 CA ILE A 67 4.277 32.993 21.811 1.00 0.00 C ATOM 1131 C ILE A 67 3.497 31.818 22.390 1.00 0.00 C ATOM 1132 O ILE A 67 4.080 30.822 22.820 1.00 0.00 O ATOM 1133 CB ILE A 67 4.302 32.873 20.276 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.073 31.621 19.853 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.920 34.117 19.656 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.739 31.148 18.456 1.00 0.00 C ATOM 0 H ILE A 67 6.254 32.328 22.015 1.00 0.00 H new ATOM 0 HA ILE A 67 3.782 33.924 22.086 1.00 0.00 H new ATOM 0 HB ILE A 67 3.277 32.784 19.917 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.142 31.825 19.913 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.862 30.818 20.560 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.930 34.016 18.571 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.332 34.992 19.934 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.941 34.236 20.019 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.323 30.257 18.224 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.677 30.912 18.396 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.977 31.934 17.739 1.00 0.00 H new ATOM 1148 N THR A 68 2.173 31.939 22.396 1.00 0.00 N ATOM 1149 CA THR A 68 1.312 30.887 22.921 1.00 0.00 C ATOM 1150 C THR A 68 0.731 30.039 21.795 1.00 0.00 C ATOM 1151 O THR A 68 0.933 30.331 20.615 1.00 0.00 O ATOM 1152 CB THR A 68 0.157 31.471 23.756 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.076 32.833 23.384 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.472 31.392 25.243 1.00 0.00 C ATOM 0 H THR A 68 1.674 32.755 22.043 1.00 0.00 H new ATOM 0 HA THR A 68 1.933 30.260 23.561 1.00 0.00 H new ATOM 0 HB THR A 68 -0.739 30.883 23.559 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.813 33.197 23.918 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.357 31.810 25.813 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.620 30.351 25.529 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.379 31.959 25.453 1.00 0.00 H new ATOM 1162 N THR A 69 0.007 28.987 22.165 1.00 0.00 N ATOM 1163 CA THR A 69 -0.602 28.096 21.186 1.00 0.00 C ATOM 1164 C THR A 69 -1.486 28.870 20.214 1.00 0.00 C ATOM 1165 O THR A 69 -1.461 28.624 19.008 1.00 0.00 O ATOM 1166 CB THR A 69 -1.446 27.003 21.870 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.498 27.603 22.634 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.581 26.141 22.777 1.00 0.00 C ATOM 0 H THR A 69 -0.172 28.732 23.136 1.00 0.00 H new ATOM 0 HA THR A 69 0.213 27.625 20.636 1.00 0.00 H new ATOM 0 HB THR A 69 -1.877 26.369 21.095 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.031 26.902 23.064 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.198 25.376 23.249 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.201 25.663 22.187 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.125 26.765 23.546 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.265 29.805 20.746 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.155 30.616 19.924 1.00 0.00 C ATOM 1178 C ASP A 70 -2.358 31.536 19.003 1.00 0.00 C ATOM 1179 O ASP A 70 -2.907 32.127 18.073 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.088 31.445 20.809 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.145 30.597 21.489 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -4.832 29.448 21.867 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -6.284 31.082 21.644 1.00 0.00 O ATOM 0 H ASP A 70 -2.298 30.020 21.743 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.752 29.944 19.308 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.500 31.964 21.566 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.574 32.210 20.203 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.061 31.652 19.270 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.189 32.501 18.468 1.00 0.00 C ATOM 1190 C ARG A 71 0.592 31.672 17.452 1.00 0.00 C ATOM 1191 O ARG A 71 1.393 32.207 16.685 1.00 0.00 O ATOM 1192 CB ARG A 71 0.780 33.269 19.368 1.00 0.00 C ATOM 1193 CG ARG A 71 0.108 34.342 20.210 1.00 0.00 C ATOM 1194 CD ARG A 71 1.068 35.475 20.538 1.00 0.00 C ATOM 1195 NE ARG A 71 0.373 36.643 21.073 1.00 0.00 N ATOM 1196 CZ ARG A 71 -0.261 37.532 20.316 1.00 0.00 C ATOM 1197 NH1 ARG A 71 -0.287 37.386 18.998 1.00 0.00 N ATOM 1198 NH2 ARG A 71 -0.870 38.569 20.876 1.00 0.00 N ATOM 0 H ARG A 71 -0.591 31.169 20.036 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.813 33.213 17.928 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.285 32.564 20.028 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.548 33.733 18.749 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.755 34.738 19.675 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.265 33.900 21.134 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.805 35.128 21.263 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.615 35.759 19.639 1.00 0.00 H new ATOM 0 HE ARG A 71 0.374 36.784 22.083 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.180 36.590 18.564 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.774 38.070 18.419 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.852 38.685 21.889 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.356 39.251 20.293 1.00 0.00 H new ATOM 1212 N ILE A 72 0.354 30.365 17.454 1.00 0.00 N ATOM 1213 CA ILE A 72 1.035 29.464 16.533 1.00 0.00 C ATOM 1214 C ILE A 72 0.145 29.119 15.344 1.00 0.00 C ATOM 1215 O ILE A 72 -1.065 28.955 15.488 1.00 0.00 O ATOM 1216 CB ILE A 72 1.463 28.161 17.234 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.417 28.468 18.390 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.116 27.214 16.239 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.482 27.369 19.428 1.00 0.00 C ATOM 0 H ILE A 72 -0.305 29.906 18.083 1.00 0.00 H new ATOM 0 HA ILE A 72 1.924 29.986 16.180 1.00 0.00 H new ATOM 0 HB ILE A 72 0.575 27.675 17.639 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.417 28.638 17.990 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.104 29.394 18.872 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.413 26.298 16.750 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.408 26.974 15.446 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.996 27.690 15.807 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.177 27.655 20.217 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.492 27.213 19.856 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.824 26.446 18.960 1.00 0.00 H new ATOM 1231 N ASN A 73 0.756 29.009 14.168 1.00 0.00 N ATOM 1232 CA ASN A 73 0.019 28.682 12.952 1.00 0.00 C ATOM 1233 C ASN A 73 0.165 27.203 12.609 1.00 0.00 C ATOM 1234 O ASN A 73 1.210 26.767 12.123 1.00 0.00 O ATOM 1235 CB ASN A 73 0.514 29.539 11.785 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.532 29.696 10.699 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -1.365 28.813 10.491 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.494 30.825 10.000 1.00 0.00 N ATOM 0 H ASN A 73 1.758 29.141 14.032 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.036 28.894 13.128 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.799 30.523 12.156 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.410 29.087 11.360 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.173 30.988 9.256 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.214 31.529 10.207 1.00 0.00 H new ATOM 1245 N LEU A 74 -0.889 26.435 12.864 1.00 0.00 N ATOM 1246 CA LEU A 74 -0.879 25.004 12.581 1.00 0.00 C ATOM 1247 C LEU A 74 -1.500 24.714 11.218 1.00 0.00 C ATOM 1248 O LEU A 74 -1.992 23.613 10.971 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.636 24.244 13.671 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.902 24.070 15.002 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -1.891 23.811 16.127 1.00 0.00 C ATOM 1252 CD2 LEU A 74 0.110 22.937 14.908 1.00 0.00 C ATOM 0 H LEU A 74 -1.761 26.779 13.266 1.00 0.00 H new ATOM 0 HA LEU A 74 0.158 24.669 12.566 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.575 24.763 13.862 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.890 23.256 13.287 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.366 24.993 15.223 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.351 23.690 17.066 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.577 24.654 16.209 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.455 22.903 15.913 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.623 22.827 15.863 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.405 22.008 14.664 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.838 23.163 14.129 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.471 25.708 10.337 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.027 25.558 8.998 1.00 0.00 C ATOM 1266 C ASP A 75 -0.925 25.286 7.979 1.00 0.00 C ATOM 1267 O ASP A 75 -1.172 24.707 6.921 1.00 0.00 O ATOM 1268 CB ASP A 75 -2.806 26.814 8.603 1.00 0.00 C ATOM 1269 CG ASP A 75 -3.777 26.560 7.466 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.777 25.846 7.688 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -3.536 27.077 6.355 1.00 0.00 O ATOM 0 H ASP A 75 -1.068 26.626 10.526 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.707 24.706 9.007 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.354 27.185 9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.105 27.596 8.310 1.00 0.00 H new ATOM 1276 N LYS A 76 0.291 25.709 8.304 1.00 0.00 N ATOM 1277 CA LYS A 76 1.433 25.512 7.418 1.00 0.00 C ATOM 1278 C LYS A 76 2.268 24.317 7.865 1.00 0.00 C ATOM 1279 O LYS A 76 2.439 24.080 9.060 1.00 0.00 O ATOM 1280 CB LYS A 76 2.302 26.771 7.384 1.00 0.00 C ATOM 1281 CG LYS A 76 1.812 27.822 6.402 1.00 0.00 C ATOM 1282 CD LYS A 76 0.662 28.631 6.979 1.00 0.00 C ATOM 1283 CE LYS A 76 0.643 30.046 6.423 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.398 30.215 5.372 1.00 0.00 N ATOM 0 H LYS A 76 0.512 26.191 9.175 1.00 0.00 H new ATOM 0 HA LYS A 76 1.053 25.313 6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.335 27.206 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.323 26.491 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.633 28.490 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.491 27.338 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.282 28.137 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.749 28.667 8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.459 30.752 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.621 30.286 6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.001 30.748 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.713 29.280 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.208 30.735 5.766 1.00 0.00 H new ATOM 1298 N GLU A 77 2.787 23.568 6.897 1.00 0.00 N ATOM 1299 CA GLU A 77 3.606 22.398 7.193 1.00 0.00 C ATOM 1300 C GLU A 77 4.732 22.752 8.159 1.00 0.00 C ATOM 1301 O GLU A 77 5.251 23.869 8.143 1.00 0.00 O ATOM 1302 CB GLU A 77 4.189 21.817 5.903 1.00 0.00 C ATOM 1303 CG GLU A 77 3.150 21.570 4.822 1.00 0.00 C ATOM 1304 CD GLU A 77 3.552 20.460 3.870 1.00 0.00 C ATOM 1305 OE1 GLU A 77 3.977 19.389 4.353 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.442 20.662 2.643 1.00 0.00 O ATOM 0 H GLU A 77 2.655 23.750 5.902 1.00 0.00 H new ATOM 0 HA GLU A 77 2.969 21.650 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.947 22.499 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.692 20.878 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.198 21.316 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.993 22.489 4.257 1.00 0.00 H new ATOM 1313 N VAL A 78 5.105 21.794 9.001 1.00 0.00 N ATOM 1314 CA VAL A 78 6.170 22.003 9.975 1.00 0.00 C ATOM 1315 C VAL A 78 7.479 21.381 9.501 1.00 0.00 C ATOM 1316 O VAL A 78 7.491 20.283 8.943 1.00 0.00 O ATOM 1317 CB VAL A 78 5.800 21.410 11.347 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.965 21.540 12.317 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.556 22.086 11.902 1.00 0.00 C ATOM 0 H VAL A 78 4.685 20.865 9.028 1.00 0.00 H new ATOM 0 HA VAL A 78 6.299 23.081 10.076 1.00 0.00 H new ATOM 0 HB VAL A 78 5.582 20.350 11.218 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.685 21.116 13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.829 21.005 11.922 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.217 22.593 12.444 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.309 21.654 12.872 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.743 23.154 12.017 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.723 21.935 11.215 1.00 0.00 H new ATOM 1329 N LEU A 79 8.580 22.090 9.725 1.00 0.00 N ATOM 1330 CA LEU A 79 9.896 21.608 9.321 1.00 0.00 C ATOM 1331 C LEU A 79 10.648 21.019 10.510 1.00 0.00 C ATOM 1332 O LEU A 79 10.823 21.678 11.536 1.00 0.00 O ATOM 1333 CB LEU A 79 10.709 22.745 8.701 1.00 0.00 C ATOM 1334 CG LEU A 79 10.250 23.224 7.323 1.00 0.00 C ATOM 1335 CD1 LEU A 79 11.164 24.326 6.810 1.00 0.00 C ATOM 1336 CD2 LEU A 79 10.208 22.063 6.341 1.00 0.00 C ATOM 0 H LEU A 79 8.587 23.001 10.184 1.00 0.00 H new ATOM 0 HA LEU A 79 9.756 20.823 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.689 23.594 9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.747 22.423 8.624 1.00 0.00 H new ATOM 0 HG LEU A 79 9.243 23.630 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.822 24.655 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.143 25.168 7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.183 23.946 6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.879 22.423 5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.203 21.627 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.512 21.306 6.702 1.00 0.00 H new ATOM 1348 N TYR A 80 11.094 19.776 10.365 1.00 0.00 N ATOM 1349 CA TYR A 80 11.828 19.098 11.427 1.00 0.00 C ATOM 1350 C TYR A 80 13.264 18.813 11.000 1.00 0.00 C ATOM 1351 O TYR A 80 13.586 18.752 9.813 1.00 0.00 O ATOM 1352 CB TYR A 80 11.127 17.793 11.807 1.00 0.00 C ATOM 1353 CG TYR A 80 9.884 17.993 12.643 1.00 0.00 C ATOM 1354 CD1 TYR A 80 8.653 18.236 12.046 1.00 0.00 C ATOM 1355 CD2 TYR A 80 9.940 17.941 14.031 1.00 0.00 C ATOM 1356 CE1 TYR A 80 7.514 18.420 12.806 1.00 0.00 C ATOM 1357 CE2 TYR A 80 8.806 18.123 14.799 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.596 18.363 14.182 1.00 0.00 C ATOM 1359 OH TYR A 80 6.465 18.546 14.944 1.00 0.00 O ATOM 0 H TYR A 80 10.960 19.217 9.522 1.00 0.00 H new ATOM 0 HA TYR A 80 11.851 19.756 12.296 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.860 17.256 10.897 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.826 17.162 12.356 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.585 18.282 10.969 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.886 17.755 14.517 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.565 18.607 12.326 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.867 18.078 15.876 1.00 0.00 H new ATOM 0 HH TYR A 80 6.701 18.506 15.894 1.00 0.00 H new ATOM 1369 N PRO A 81 14.150 18.632 11.991 1.00 0.00 N ATOM 1370 CA PRO A 81 15.567 18.348 11.744 1.00 0.00 C ATOM 1371 C PRO A 81 15.786 16.956 11.161 1.00 0.00 C ATOM 1372 O PRO A 81 14.886 16.117 11.176 1.00 0.00 O ATOM 1373 CB PRO A 81 16.197 18.451 13.135 1.00 0.00 C ATOM 1374 CG PRO A 81 15.083 18.155 14.078 1.00 0.00 C ATOM 1375 CD PRO A 81 13.837 18.690 13.428 1.00 0.00 C ATOM 0 HA PRO A 81 15.999 19.033 11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.015 17.740 13.253 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.610 19.444 13.310 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.999 17.083 14.259 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.253 18.629 15.045 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.964 18.085 13.674 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.621 19.708 13.751 1.00 0.00 H new