USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 910 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 80 GLN : amide:sc= -1.69 K(o=-2.9,f=-0.11) USER MOD Set 1.2: A 83 GLN : amide:sc= -1.23 K(o=-2.9,f=-0.11) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 114 THR OG1 : rot -82:sc= 0.802 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= -0.968 (180deg=-0.968) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 41 GLN : amide:sc= 0.0226 K(o=0.023,f=-0.61) USER MOD Single : A 43 ASN : amide:sc= -0.576 K(o=-0.58,f=-1.9!) USER MOD Single : A 45 MET CE :methyl 155:sc= -0.245 (180deg=-0.99) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0607 (180deg=-0.305) USER MOD Single : A 48 TYR OH : rot 165:sc= -0.0403 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 64:sc= 0.214 USER MOD Single : A 63 THR OG1 : rot -170:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.03 K(o=-1,f=-0.4) USER MOD Single : A 71 SER OG : rot 85:sc= 1.12 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -22:sc= 0.457 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl -170:sc= 0 (180deg=-0.153) USER MOD Single : A 94 THR OG1 : rot -23:sc= 0.303 USER MOD Single : A 95 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.022) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 131:sc= -0.263 (180deg=-1.12) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -151:sc= 0.321 (180deg=0.0814) USER MOD Single : A 124 MET CE :methyl 166:sc= -0.193 (180deg=-0.668) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.535 1.816 6.740 1.00 0.00 N ATOM 243 CA ALA A 19 19.043 3.187 6.706 1.00 0.00 C ATOM 244 C ALA A 19 18.233 3.462 5.443 1.00 0.00 C ATOM 245 O ALA A 19 17.314 4.281 5.454 1.00 0.00 O ATOM 246 CB ALA A 19 20.205 4.163 6.813 1.00 0.00 C ATOM 0 HA ALA A 19 18.380 3.326 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.826 5.185 6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.735 3.997 7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.888 4.008 5.978 1.00 0.00 H new ATOM 252 N GLU A 20 18.574 2.773 4.358 1.00 0.00 N ATOM 253 CA GLU A 20 17.874 2.954 3.090 1.00 0.00 C ATOM 254 C GLU A 20 16.387 2.640 3.237 1.00 0.00 C ATOM 255 O GLU A 20 15.533 3.430 2.829 1.00 0.00 O ATOM 256 CB GLU A 20 18.490 2.065 2.009 1.00 0.00 C ATOM 257 CG GLU A 20 18.030 2.414 0.603 1.00 0.00 C ATOM 258 CD GLU A 20 18.501 3.785 0.158 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.838 4.784 0.508 1.00 0.00 O ATOM 260 OE2 GLU A 20 19.534 3.860 -0.540 1.00 0.00 O ATOM 0 H GLU A 20 19.328 2.087 4.331 1.00 0.00 H new ATOM 0 HA GLU A 20 17.979 3.998 2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.576 2.146 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.238 1.025 2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.402 1.663 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.941 2.377 0.561 1.00 0.00 H new ATOM 267 N PHE A 21 16.084 1.483 3.821 1.00 0.00 N ATOM 268 CA PHE A 21 14.700 1.072 4.027 1.00 0.00 C ATOM 269 C PHE A 21 13.927 2.146 4.785 1.00 0.00 C ATOM 270 O PHE A 21 12.810 2.500 4.409 1.00 0.00 O ATOM 271 CB PHE A 21 14.642 -0.249 4.799 1.00 0.00 C ATOM 272 CG PHE A 21 13.257 -0.818 4.918 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.436 -0.464 5.977 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.774 -1.706 3.970 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.161 -0.983 6.088 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.499 -2.230 4.075 1.00 0.00 C ATOM 277 CZ PHE A 21 10.692 -1.867 5.136 1.00 0.00 C ATOM 0 H PHE A 21 16.778 0.816 4.159 1.00 0.00 H new ATOM 0 HA PHE A 21 14.240 0.932 3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.283 -0.978 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.049 -0.094 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.798 0.226 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.401 -1.992 3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.532 -0.698 6.918 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.135 -2.921 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.695 -2.274 5.221 1.00 0.00 H new ATOM 287 N ASP A 22 14.531 2.660 5.853 1.00 0.00 N ATOM 288 CA ASP A 22 13.903 3.694 6.668 1.00 0.00 C ATOM 289 C ASP A 22 13.543 4.909 5.821 1.00 0.00 C ATOM 290 O ASP A 22 12.500 5.531 6.023 1.00 0.00 O ATOM 291 CB ASP A 22 14.831 4.110 7.811 1.00 0.00 C ATOM 292 CG ASP A 22 15.103 2.974 8.778 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.228 2.692 9.623 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.189 2.365 8.688 1.00 0.00 O ATOM 0 H ASP A 22 15.457 2.376 6.174 1.00 0.00 H new ATOM 0 HA ASP A 22 12.986 3.282 7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.775 4.466 7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.385 4.945 8.352 1.00 0.00 H new ATOM 299 N ALA A 23 14.413 5.242 4.871 1.00 0.00 N ATOM 300 CA ALA A 23 14.180 6.379 3.989 1.00 0.00 C ATOM 301 C ALA A 23 12.879 6.200 3.220 1.00 0.00 C ATOM 302 O ALA A 23 12.073 7.126 3.115 1.00 0.00 O ATOM 303 CB ALA A 23 15.347 6.554 3.029 1.00 0.00 C ATOM 0 H ALA A 23 15.284 4.741 4.694 1.00 0.00 H new ATOM 0 HA ALA A 23 14.097 7.278 4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.157 7.407 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.262 6.727 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.459 5.654 2.425 1.00 0.00 H new ATOM 309 N VAL A 24 12.682 5.000 2.682 1.00 0.00 N ATOM 310 CA VAL A 24 11.474 4.691 1.927 1.00 0.00 C ATOM 311 C VAL A 24 10.234 4.861 2.798 1.00 0.00 C ATOM 312 O VAL A 24 9.211 5.374 2.344 1.00 0.00 O ATOM 313 CB VAL A 24 11.508 3.254 1.372 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.318 3.007 0.456 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.816 2.993 0.642 1.00 0.00 C ATOM 0 H VAL A 24 13.343 4.227 2.755 1.00 0.00 H new ATOM 0 HA VAL A 24 11.431 5.389 1.091 1.00 0.00 H new ATOM 0 HB VAL A 24 11.443 2.559 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.359 1.987 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.393 3.148 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.349 3.709 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.821 1.973 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.916 3.694 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.650 3.125 1.331 1.00 0.00 H new ATOM 325 N VAL A 25 10.332 4.425 4.052 1.00 0.00 N ATOM 326 CA VAL A 25 9.219 4.532 4.988 1.00 0.00 C ATOM 327 C VAL A 25 8.805 5.989 5.168 1.00 0.00 C ATOM 328 O VAL A 25 7.623 6.293 5.320 1.00 0.00 O ATOM 329 CB VAL A 25 9.575 3.935 6.364 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.370 3.968 7.292 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.098 2.514 6.212 1.00 0.00 C ATOM 0 H VAL A 25 11.171 3.995 4.442 1.00 0.00 H new ATOM 0 HA VAL A 25 8.390 3.965 4.565 1.00 0.00 H new ATOM 0 HB VAL A 25 10.363 4.544 6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.643 3.542 8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.044 4.999 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.558 3.386 6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.344 2.110 7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.334 1.893 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.992 2.520 5.588 1.00 0.00 H new ATOM 341 N GLY A 26 9.790 6.881 5.148 1.00 0.00 N ATOM 342 CA GLY A 26 9.512 8.297 5.305 1.00 0.00 C ATOM 343 C GLY A 26 8.702 8.854 4.152 1.00 0.00 C ATOM 344 O GLY A 26 7.699 9.536 4.363 1.00 0.00 O ATOM 0 H GLY A 26 10.776 6.649 5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.971 8.458 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.452 8.843 5.383 1.00 0.00 H new ATOM 348 N TYR A 27 9.134 8.560 2.928 1.00 0.00 N ATOM 349 CA TYR A 27 8.439 9.039 1.738 1.00 0.00 C ATOM 350 C TYR A 27 7.002 8.530 1.705 1.00 0.00 C ATOM 351 O TYR A 27 6.111 9.189 1.170 1.00 0.00 O ATOM 352 CB TYR A 27 9.175 8.592 0.472 1.00 0.00 C ATOM 353 CG TYR A 27 10.596 9.104 0.382 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.869 10.465 0.410 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.664 8.223 0.269 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.166 10.935 0.329 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.964 8.684 0.189 1.00 0.00 C ATOM 358 CZ TYR A 27 13.209 10.041 0.219 1.00 0.00 C ATOM 359 OH TYR A 27 14.502 10.503 0.139 1.00 0.00 O ATOM 0 H TYR A 27 9.960 7.994 2.735 1.00 0.00 H new ATOM 0 HA TYR A 27 8.422 10.128 1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.188 7.503 0.435 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.619 8.934 -0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.054 11.168 0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.475 7.160 0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.361 11.997 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.784 7.986 0.103 1.00 0.00 H new ATOM 0 HH TYR A 27 15.117 9.743 0.067 1.00 0.00 H new ATOM 369 N LEU A 28 6.785 7.353 2.283 1.00 0.00 N ATOM 370 CA LEU A 28 5.457 6.753 2.321 1.00 0.00 C ATOM 371 C LEU A 28 4.526 7.542 3.238 1.00 0.00 C ATOM 372 O LEU A 28 3.397 7.852 2.867 1.00 0.00 O ATOM 373 CB LEU A 28 5.545 5.298 2.788 1.00 0.00 C ATOM 374 CG LEU A 28 6.243 4.347 1.814 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.486 2.997 2.470 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.419 4.180 0.546 1.00 0.00 C ATOM 0 H LEU A 28 7.512 6.796 2.732 1.00 0.00 H new ATOM 0 HA LEU A 28 5.046 6.778 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.073 5.270 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.536 4.929 2.972 1.00 0.00 H new ATOM 0 HG LEU A 28 7.207 4.779 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.983 2.333 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.116 3.128 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.533 2.561 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.932 3.500 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.441 3.771 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.293 5.149 0.064 1.00 0.00 H new ATOM 388 N GLU A 29 5.011 7.862 4.435 1.00 0.00 N ATOM 389 CA GLU A 29 4.220 8.615 5.406 1.00 0.00 C ATOM 390 C GLU A 29 3.749 9.942 4.820 1.00 0.00 C ATOM 391 O GLU A 29 2.604 10.349 5.020 1.00 0.00 O ATOM 392 CB GLU A 29 5.040 8.868 6.673 1.00 0.00 C ATOM 393 CG GLU A 29 5.423 7.599 7.414 1.00 0.00 C ATOM 394 CD GLU A 29 6.303 7.870 8.619 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.753 8.134 9.709 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.543 7.818 8.473 1.00 0.00 O ATOM 0 H GLU A 29 5.946 7.612 4.756 1.00 0.00 H new ATOM 0 HA GLU A 29 3.342 8.021 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.947 9.411 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.469 9.511 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.518 7.085 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.944 6.928 6.732 1.00 0.00 H new ATOM 403 N ASP A 30 4.639 10.613 4.095 1.00 0.00 N ATOM 404 CA ASP A 30 4.318 11.897 3.481 1.00 0.00 C ATOM 405 C ASP A 30 3.202 11.752 2.450 1.00 0.00 C ATOM 406 O ASP A 30 2.395 12.665 2.265 1.00 0.00 O ATOM 407 CB ASP A 30 5.563 12.495 2.823 1.00 0.00 C ATOM 408 CG ASP A 30 6.609 12.912 3.838 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.488 14.024 4.392 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.550 12.127 4.078 1.00 0.00 O ATOM 0 H ASP A 30 5.590 10.288 3.918 1.00 0.00 H new ATOM 0 HA ASP A 30 3.971 12.568 4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.995 11.765 2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.275 13.360 2.226 1.00 0.00 H new ATOM 415 N ILE A 31 3.160 10.604 1.780 1.00 0.00 N ATOM 416 CA ILE A 31 2.140 10.345 0.770 1.00 0.00 C ATOM 417 C ILE A 31 0.799 10.014 1.418 1.00 0.00 C ATOM 418 O ILE A 31 -0.247 10.496 0.983 1.00 0.00 O ATOM 419 CB ILE A 31 2.552 9.189 -0.166 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.812 9.565 -0.949 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.415 8.840 -1.117 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.387 8.424 -1.761 1.00 0.00 C ATOM 0 H ILE A 31 3.820 9.839 1.918 1.00 0.00 H new ATOM 0 HA ILE A 31 2.039 11.256 0.180 1.00 0.00 H new ATOM 0 HB ILE A 31 2.770 8.311 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.580 10.394 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.570 9.921 -0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.724 8.023 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.541 8.535 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.165 9.712 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.278 8.765 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.652 7.602 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.646 8.082 -2.484 1.00 0.00 H new ATOM 434 N ILE A 32 0.836 9.189 2.458 1.00 0.00 N ATOM 435 CA ILE A 32 -0.377 8.791 3.164 1.00 0.00 C ATOM 436 C ILE A 32 -1.055 9.994 3.811 1.00 0.00 C ATOM 437 O ILE A 32 -2.281 10.053 3.905 1.00 0.00 O ATOM 438 CB ILE A 32 -0.076 7.739 4.251 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.621 6.524 3.634 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.360 7.320 4.953 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.149 5.543 4.660 1.00 0.00 C ATOM 0 H ILE A 32 1.693 8.782 2.832 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.046 8.355 2.422 1.00 0.00 H new ATOM 0 HB ILE A 32 0.591 8.182 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.080 6.008 2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.448 6.867 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.131 6.577 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.820 8.191 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.049 6.891 4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.630 4.708 4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.874 6.043 5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.323 5.171 5.267 1.00 0.00 H new ATOM 453 N MET A 33 -0.249 10.953 4.252 1.00 0.00 N ATOM 454 CA MET A 33 -0.771 12.153 4.894 1.00 0.00 C ATOM 455 C MET A 33 -0.985 13.270 3.878 1.00 0.00 C ATOM 456 O MET A 33 -1.326 14.395 4.243 1.00 0.00 O ATOM 457 CB MET A 33 0.180 12.621 5.998 1.00 0.00 C ATOM 458 CG MET A 33 0.334 11.622 7.133 1.00 0.00 C ATOM 459 SD MET A 33 1.441 12.205 8.432 1.00 0.00 S ATOM 460 CE MET A 33 2.985 12.333 7.534 1.00 0.00 C ATOM 0 H MET A 33 0.768 10.923 4.177 1.00 0.00 H new ATOM 0 HA MET A 33 -1.736 11.906 5.337 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.160 12.817 5.563 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.184 13.565 6.403 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.646 11.414 7.563 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.713 10.681 6.734 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.769 12.683 8.206 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.257 11.355 7.137 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.870 13.039 6.712 1.00 0.00 H new ATOM 470 N ASP A 34 -0.783 12.954 2.603 1.00 0.00 N ATOM 471 CA ASP A 34 -0.958 13.934 1.537 1.00 0.00 C ATOM 472 C ASP A 34 -2.440 14.150 1.242 1.00 0.00 C ATOM 473 O ASP A 34 -3.212 13.194 1.160 1.00 0.00 O ATOM 474 CB ASP A 34 -0.228 13.480 0.272 1.00 0.00 C ATOM 475 CG ASP A 34 -0.110 14.586 -0.758 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.865 15.364 -0.685 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.992 14.674 -1.637 1.00 0.00 O ATOM 0 H ASP A 34 -0.498 12.028 2.283 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.531 14.880 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.769 13.128 0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.758 12.635 -0.166 1.00 0.00 H new ATOM 482 N ASP A 35 -2.828 15.411 1.086 1.00 0.00 N ATOM 483 CA ASP A 35 -4.217 15.761 0.809 1.00 0.00 C ATOM 484 C ASP A 35 -4.712 15.102 -0.476 1.00 0.00 C ATOM 485 O ASP A 35 -5.834 14.601 -0.533 1.00 0.00 O ATOM 486 CB ASP A 35 -4.369 17.279 0.704 1.00 0.00 C ATOM 487 CG ASP A 35 -3.917 17.992 1.963 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.753 18.183 2.871 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.725 18.360 2.041 1.00 0.00 O ATOM 0 H ASP A 35 -2.198 16.211 1.147 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.824 15.392 1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.789 17.642 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.412 17.524 0.505 1.00 0.00 H new ATOM 494 N GLU A 36 -3.870 15.110 -1.504 1.00 0.00 N ATOM 495 CA GLU A 36 -4.223 14.517 -2.789 1.00 0.00 C ATOM 496 C GLU A 36 -4.475 13.018 -2.653 1.00 0.00 C ATOM 497 O GLU A 36 -5.258 12.439 -3.407 1.00 0.00 O ATOM 498 CB GLU A 36 -3.112 14.771 -3.810 1.00 0.00 C ATOM 499 CG GLU A 36 -3.454 14.310 -5.216 1.00 0.00 C ATOM 500 CD GLU A 36 -2.352 14.616 -6.210 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.285 15.770 -6.684 1.00 0.00 O ATOM 502 OE2 GLU A 36 -1.554 13.705 -6.513 1.00 0.00 O ATOM 0 H GLU A 36 -2.937 15.521 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.143 14.987 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.888 15.838 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.206 14.262 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.643 13.237 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.376 14.794 -5.540 1.00 0.00 H new ATOM 509 N PHE A 37 -3.806 12.394 -1.688 1.00 0.00 N ATOM 510 CA PHE A 37 -3.955 10.961 -1.457 1.00 0.00 C ATOM 511 C PHE A 37 -5.272 10.650 -0.752 1.00 0.00 C ATOM 512 O PHE A 37 -5.980 9.717 -1.126 1.00 0.00 O ATOM 513 CB PHE A 37 -2.780 10.431 -0.631 1.00 0.00 C ATOM 514 CG PHE A 37 -2.907 8.980 -0.262 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.653 7.988 -1.197 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.282 8.609 1.019 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.771 6.652 -0.859 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.402 7.276 1.362 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.146 6.296 0.422 1.00 0.00 C ATOM 0 H PHE A 37 -3.156 12.858 -1.054 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.962 10.464 -2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.858 10.574 -1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.692 11.022 0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.360 8.261 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.483 9.371 1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.570 5.888 -1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.696 7.000 2.364 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.239 5.254 0.688 1.00 0.00 H new ATOM 529 N GLN A 38 -5.593 11.436 0.271 1.00 0.00 N ATOM 530 CA GLN A 38 -6.828 11.243 1.024 1.00 0.00 C ATOM 531 C GLN A 38 -8.044 11.577 0.166 1.00 0.00 C ATOM 532 O GLN A 38 -9.099 10.955 0.295 1.00 0.00 O ATOM 533 CB GLN A 38 -6.824 12.111 2.284 1.00 0.00 C ATOM 534 CG GLN A 38 -5.692 11.782 3.245 1.00 0.00 C ATOM 535 CD GLN A 38 -5.733 12.624 4.506 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.190 13.767 4.489 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.254 12.059 5.608 1.00 0.00 N ATOM 0 H GLN A 38 -5.016 12.211 0.597 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.887 10.194 1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.750 13.159 1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.776 11.990 2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.745 10.727 3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.737 11.935 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.885 11.109 5.575 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.255 12.575 6.488 1.00 0.00 H new ATOM 546 N LEU A 39 -7.886 12.562 -0.713 1.00 0.00 N ATOM 547 CA LEU A 39 -8.967 12.986 -1.595 1.00 0.00 C ATOM 548 C LEU A 39 -9.272 11.908 -2.632 1.00 0.00 C ATOM 549 O LEU A 39 -10.432 11.572 -2.870 1.00 0.00 O ATOM 550 CB LEU A 39 -8.591 14.299 -2.291 1.00 0.00 C ATOM 551 CG LEU A 39 -9.733 15.011 -3.024 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.449 16.501 -3.126 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.937 14.417 -4.411 1.00 0.00 C ATOM 0 H LEU A 39 -7.017 13.082 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.862 13.146 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.181 14.980 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.795 14.095 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.649 14.867 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.269 16.993 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.352 16.922 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.522 16.658 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.752 14.937 -4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.022 14.529 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.183 13.359 -4.321 1.00 0.00 H new ATOM 565 N LEU A 40 -8.221 11.372 -3.243 1.00 0.00 N ATOM 566 CA LEU A 40 -8.370 10.334 -4.257 1.00 0.00 C ATOM 567 C LEU A 40 -8.938 9.054 -3.652 1.00 0.00 C ATOM 568 O LEU A 40 -9.913 8.498 -4.156 1.00 0.00 O ATOM 569 CB LEU A 40 -7.016 10.052 -4.919 1.00 0.00 C ATOM 570 CG LEU A 40 -7.025 8.967 -6.000 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.036 9.309 -7.104 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.693 7.609 -5.398 1.00 0.00 C ATOM 0 H LEU A 40 -7.255 11.640 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.071 10.690 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.647 10.978 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.305 9.763 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.026 8.920 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.055 8.528 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.311 10.262 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.033 9.382 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.704 6.851 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.703 7.645 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.433 7.357 -4.639 1.00 0.00 H new ATOM 584 N GLN A 41 -8.322 8.595 -2.569 1.00 0.00 N ATOM 585 CA GLN A 41 -8.754 7.374 -1.894 1.00 0.00 C ATOM 586 C GLN A 41 -10.234 7.430 -1.524 1.00 0.00 C ATOM 587 O GLN A 41 -10.987 6.500 -1.807 1.00 0.00 O ATOM 588 CB GLN A 41 -7.914 7.146 -0.636 1.00 0.00 C ATOM 589 CG GLN A 41 -8.161 5.800 0.026 1.00 0.00 C ATOM 590 CD GLN A 41 -7.341 5.611 1.287 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.035 6.572 1.992 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.979 4.367 1.575 1.00 0.00 N ATOM 0 H GLN A 41 -7.518 9.051 -2.137 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.611 6.544 -2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.858 7.226 -0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.127 7.939 0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.220 5.707 0.268 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.925 5.003 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.255 3.600 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.424 4.178 2.410 1.00 0.00 H new ATOM 601 N ARG A 42 -10.643 8.524 -0.890 1.00 0.00 N ATOM 602 CA ARG A 42 -12.032 8.696 -0.473 1.00 0.00 C ATOM 603 C ARG A 42 -12.973 8.767 -1.674 1.00 0.00 C ATOM 604 O ARG A 42 -14.116 8.315 -1.604 1.00 0.00 O ATOM 605 CB ARG A 42 -12.174 9.966 0.372 1.00 0.00 C ATOM 606 CG ARG A 42 -13.605 10.262 0.794 1.00 0.00 C ATOM 607 CD ARG A 42 -13.696 11.559 1.580 1.00 0.00 C ATOM 608 NE ARG A 42 -12.943 11.498 2.828 1.00 0.00 N ATOM 609 CZ ARG A 42 -12.977 12.448 3.759 1.00 0.00 C ATOM 610 NH1 ARG A 42 -13.726 13.528 3.581 1.00 0.00 N ATOM 611 NH2 ARG A 42 -12.263 12.318 4.868 1.00 0.00 N ATOM 0 H ARG A 42 -10.033 9.306 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.310 7.827 0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.554 9.870 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.789 10.814 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.240 10.325 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.984 9.440 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.319 12.380 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.741 11.778 1.798 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.357 10.680 2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.277 13.631 2.729 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.751 14.255 4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.686 11.489 5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.290 13.047 5.581 1.00 0.00 H new ATOM 625 N ASN A 43 -12.485 9.333 -2.772 1.00 0.00 N ATOM 626 CA ASN A 43 -13.285 9.473 -3.984 1.00 0.00 C ATOM 627 C ASN A 43 -13.734 8.115 -4.521 1.00 0.00 C ATOM 628 O ASN A 43 -14.907 7.924 -4.841 1.00 0.00 O ATOM 629 CB ASN A 43 -12.487 10.218 -5.058 1.00 0.00 C ATOM 630 CG ASN A 43 -13.343 10.629 -6.241 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.323 9.964 -6.577 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.973 11.731 -6.882 1.00 0.00 N ATOM 0 H ASN A 43 -11.538 9.703 -2.848 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.176 10.046 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.032 11.105 -4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.673 9.583 -5.407 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.508 12.057 -7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.154 12.252 -6.570 1.00 0.00 H new ATOM 639 N PHE A 44 -12.798 7.176 -4.618 1.00 0.00 N ATOM 640 CA PHE A 44 -13.104 5.843 -5.128 1.00 0.00 C ATOM 641 C PHE A 44 -13.785 4.978 -4.071 1.00 0.00 C ATOM 642 O PHE A 44 -14.756 4.282 -4.365 1.00 0.00 O ATOM 643 CB PHE A 44 -11.828 5.162 -5.631 1.00 0.00 C ATOM 644 CG PHE A 44 -11.314 5.741 -6.918 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.584 6.919 -6.924 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.565 5.108 -8.125 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.114 7.455 -8.107 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.098 5.639 -9.313 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.371 6.813 -9.304 1.00 0.00 C ATOM 0 H PHE A 44 -11.823 7.313 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.799 5.958 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -11.054 5.246 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -12.023 4.099 -5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.380 7.424 -5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.132 4.189 -8.138 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.547 8.374 -8.097 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.302 5.136 -10.247 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.004 7.229 -10.231 1.00 0.00 H new ATOM 659 N MET A 45 -13.277 5.025 -2.843 1.00 0.00 N ATOM 660 CA MET A 45 -13.852 4.244 -1.750 1.00 0.00 C ATOM 661 C MET A 45 -15.330 4.575 -1.569 1.00 0.00 C ATOM 662 O MET A 45 -16.101 3.768 -1.049 1.00 0.00 O ATOM 663 CB MET A 45 -13.097 4.502 -0.445 1.00 0.00 C ATOM 664 CG MET A 45 -11.726 3.845 -0.394 1.00 0.00 C ATOM 665 SD MET A 45 -10.934 4.014 1.217 1.00 0.00 S ATOM 666 CE MET A 45 -12.114 3.166 2.266 1.00 0.00 C ATOM 0 H MET A 45 -12.472 5.593 -2.579 1.00 0.00 H new ATOM 0 HA MET A 45 -13.758 3.189 -2.007 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.981 5.577 -0.309 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.696 4.138 0.390 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.825 2.787 -0.636 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.086 4.288 -1.157 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.607 2.794 3.157 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.903 3.858 2.560 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.550 2.329 1.720 1.00 0.00 H new ATOM 676 N ASP A 46 -15.713 5.773 -2.000 1.00 0.00 N ATOM 677 CA ASP A 46 -17.095 6.227 -1.895 1.00 0.00 C ATOM 678 C ASP A 46 -18.048 5.261 -2.598 1.00 0.00 C ATOM 679 O ASP A 46 -19.205 5.125 -2.208 1.00 0.00 O ATOM 680 CB ASP A 46 -17.234 7.627 -2.497 1.00 0.00 C ATOM 681 CG ASP A 46 -18.645 8.170 -2.378 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.464 7.894 -3.280 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.929 8.872 -1.385 1.00 0.00 O ATOM 0 H ASP A 46 -15.081 6.450 -2.428 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.361 6.260 -0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.543 8.305 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.946 7.598 -3.548 1.00 0.00 H new ATOM 688 N LYS A 47 -17.557 4.605 -3.645 1.00 0.00 N ATOM 689 CA LYS A 47 -18.366 3.657 -4.404 1.00 0.00 C ATOM 690 C LYS A 47 -18.033 2.216 -4.025 1.00 0.00 C ATOM 691 O LYS A 47 -18.924 1.378 -3.883 1.00 0.00 O ATOM 692 CB LYS A 47 -18.140 3.857 -5.903 1.00 0.00 C ATOM 693 CG LYS A 47 -18.530 5.240 -6.405 1.00 0.00 C ATOM 694 CD LYS A 47 -20.017 5.509 -6.221 1.00 0.00 C ATOM 695 CE LYS A 47 -20.405 6.877 -6.759 1.00 0.00 C ATOM 696 NZ LYS A 47 -20.131 6.998 -8.217 1.00 0.00 N ATOM 0 H LYS A 47 -16.602 4.713 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.413 3.843 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.088 3.682 -6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.712 3.108 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.955 5.996 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.272 5.330 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.594 4.738 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.271 5.447 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.464 7.053 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.854 7.648 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.631 7.827 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.108 7.110 -8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.462 6.141 -8.705 1.00 0.00 H new ATOM 710 N TYR A 48 -16.743 1.940 -3.869 1.00 0.00 N ATOM 711 CA TYR A 48 -16.268 0.602 -3.519 1.00 0.00 C ATOM 712 C TYR A 48 -16.925 0.070 -2.245 1.00 0.00 C ATOM 713 O TYR A 48 -17.350 -1.083 -2.196 1.00 0.00 O ATOM 714 CB TYR A 48 -14.747 0.615 -3.340 1.00 0.00 C ATOM 715 CG TYR A 48 -13.968 0.597 -4.638 1.00 0.00 C ATOM 716 CD1 TYR A 48 -14.204 1.540 -5.632 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.986 -0.361 -4.865 1.00 0.00 C ATOM 718 CE1 TYR A 48 -13.486 1.527 -6.813 1.00 0.00 C ATOM 719 CE2 TYR A 48 -12.265 -0.380 -6.043 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.518 0.565 -7.013 1.00 0.00 C ATOM 721 OH TYR A 48 -11.800 0.549 -8.187 1.00 0.00 O ATOM 0 H TYR A 48 -16.000 2.630 -3.980 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.543 -0.062 -4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.467 1.503 -2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.456 -0.249 -2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.961 2.295 -5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.784 -1.103 -4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.682 2.266 -7.575 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.507 -1.132 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.010 -0.022 -8.080 1.00 0.00 H new ATOM 731 N TYR A 49 -17.005 0.912 -1.218 1.00 0.00 N ATOM 732 CA TYR A 49 -17.591 0.508 0.061 1.00 0.00 C ATOM 733 C TYR A 49 -19.029 0.014 -0.107 1.00 0.00 C ATOM 734 O TYR A 49 -19.501 -0.818 0.667 1.00 0.00 O ATOM 735 CB TYR A 49 -17.540 1.671 1.062 1.00 0.00 C ATOM 736 CG TYR A 49 -18.832 2.454 1.175 1.00 0.00 C ATOM 737 CD1 TYR A 49 -19.282 3.248 0.127 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.602 2.395 2.330 1.00 0.00 C ATOM 739 CE1 TYR A 49 -20.464 3.959 0.226 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.784 3.104 2.437 1.00 0.00 C ATOM 741 CZ TYR A 49 -21.209 3.884 1.383 1.00 0.00 C ATOM 742 OH TYR A 49 -22.387 4.590 1.486 1.00 0.00 O ATOM 0 H TYR A 49 -16.673 1.876 -1.244 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.000 -0.322 0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.280 1.278 2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.741 2.352 0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.699 3.311 -0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.272 1.785 3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.801 4.569 -0.599 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.371 3.047 3.342 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.790 4.427 2.364 1.00 0.00 H new ATOM 752 N LEU A 50 -19.720 0.533 -1.117 1.00 0.00 N ATOM 753 CA LEU A 50 -21.104 0.153 -1.372 1.00 0.00 C ATOM 754 C LEU A 50 -21.185 -1.163 -2.142 1.00 0.00 C ATOM 755 O LEU A 50 -22.071 -1.981 -1.895 1.00 0.00 O ATOM 756 CB LEU A 50 -21.824 1.284 -2.109 1.00 0.00 C ATOM 757 CG LEU A 50 -22.230 1.001 -3.552 1.00 0.00 C ATOM 758 CD1 LEU A 50 -23.548 0.241 -3.597 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.336 2.307 -4.309 1.00 0.00 C ATOM 0 H LEU A 50 -19.343 1.218 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.605 -0.009 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -22.721 1.542 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -21.179 2.162 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 50 -21.470 0.378 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -23.822 0.048 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -23.440 -0.706 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -24.327 0.836 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.626 2.107 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.087 2.941 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -21.372 2.815 -4.295 1.00 0.00 H new ATOM 771 N GLU A 51 -20.257 -1.364 -3.071 1.00 0.00 N ATOM 772 CA GLU A 51 -20.230 -2.584 -3.869 1.00 0.00 C ATOM 773 C GLU A 51 -19.886 -3.789 -2.999 1.00 0.00 C ATOM 774 O GLU A 51 -20.510 -4.845 -3.105 1.00 0.00 O ATOM 775 CB GLU A 51 -19.216 -2.453 -5.004 1.00 0.00 C ATOM 776 CG GLU A 51 -19.541 -1.336 -5.981 1.00 0.00 C ATOM 777 CD GLU A 51 -20.853 -1.562 -6.707 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.836 -2.204 -7.779 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.898 -1.096 -6.205 1.00 0.00 O ATOM 0 H GLU A 51 -19.515 -0.699 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.222 -2.735 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.228 -2.277 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.166 -3.397 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.586 -0.389 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.736 -1.250 -6.711 1.00 0.00 H new ATOM 786 N PHE A 52 -18.890 -3.621 -2.136 1.00 0.00 N ATOM 787 CA PHE A 52 -18.465 -4.695 -1.248 1.00 0.00 C ATOM 788 C PHE A 52 -19.480 -4.908 -0.133 1.00 0.00 C ATOM 789 O PHE A 52 -19.402 -4.278 0.923 1.00 0.00 O ATOM 790 CB PHE A 52 -17.087 -4.388 -0.656 1.00 0.00 C ATOM 791 CG PHE A 52 -15.950 -4.736 -1.572 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.556 -3.865 -2.575 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.277 -5.938 -1.430 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.509 -4.188 -3.420 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.231 -6.267 -2.271 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.847 -5.390 -3.267 1.00 0.00 C ATOM 0 H PHE A 52 -18.364 -2.753 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.398 -5.612 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.034 -3.327 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -16.971 -4.937 0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.072 -2.924 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.573 -6.627 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.210 -3.501 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.715 -7.208 -2.150 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.030 -5.644 -3.925 1.00 0.00 H new ATOM 806 N GLU A 53 -20.438 -5.795 -0.380 1.00 0.00 N ATOM 807 CA GLU A 53 -21.471 -6.099 0.602 1.00 0.00 C ATOM 808 C GLU A 53 -20.960 -7.113 1.621 1.00 0.00 C ATOM 809 O GLU A 53 -20.081 -7.921 1.320 1.00 0.00 O ATOM 810 CB GLU A 53 -22.720 -6.637 -0.096 1.00 0.00 C ATOM 811 CG GLU A 53 -23.926 -6.766 0.821 1.00 0.00 C ATOM 812 CD GLU A 53 -24.403 -5.427 1.349 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.256 -4.798 0.689 1.00 0.00 O ATOM 814 OE2 GLU A 53 -23.923 -5.007 2.422 1.00 0.00 O ATOM 0 H GLU A 53 -20.520 -6.316 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.729 -5.180 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.974 -5.977 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.494 -7.614 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.739 -7.250 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.672 -7.414 1.660 1.00 0.00 H new ATOM 821 N ASP A 54 -21.515 -7.068 2.828 1.00 0.00 N ATOM 822 CA ASP A 54 -21.116 -7.970 3.893 1.00 0.00 C ATOM 823 C ASP A 54 -21.494 -9.414 3.572 1.00 0.00 C ATOM 824 O ASP A 54 -21.168 -10.332 4.326 1.00 0.00 O ATOM 825 CB ASP A 54 -21.770 -7.536 5.200 1.00 0.00 C ATOM 826 CG ASP A 54 -23.284 -7.528 5.116 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.901 -8.574 5.406 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.852 -6.474 4.758 1.00 0.00 O ATOM 0 H ASP A 54 -22.248 -6.409 3.090 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.031 -7.925 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.457 -8.207 6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.419 -6.539 5.465 1.00 0.00 H new ATOM 833 N THR A 55 -22.183 -9.612 2.452 1.00 0.00 N ATOM 834 CA THR A 55 -22.600 -10.947 2.039 1.00 0.00 C ATOM 835 C THR A 55 -21.395 -11.810 1.680 1.00 0.00 C ATOM 836 O THR A 55 -20.374 -11.305 1.214 1.00 0.00 O ATOM 837 CB THR A 55 -23.555 -10.895 0.832 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.932 -10.206 -0.259 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.856 -10.199 1.201 1.00 0.00 C ATOM 0 H THR A 55 -22.464 -8.866 1.816 1.00 0.00 H new ATOM 0 HA THR A 55 -23.125 -11.388 2.886 1.00 0.00 H new ATOM 0 HB THR A 55 -23.781 -11.918 0.532 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.546 -10.179 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.514 -10.174 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.343 -10.743 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.644 -9.180 1.525 1.00 0.00 H new ATOM 847 N GLU A 56 -21.523 -13.113 1.902 1.00 0.00 N ATOM 848 CA GLU A 56 -20.445 -14.049 1.605 1.00 0.00 C ATOM 849 C GLU A 56 -20.471 -14.462 0.136 1.00 0.00 C ATOM 850 O GLU A 56 -19.557 -15.129 -0.347 1.00 0.00 O ATOM 851 CB GLU A 56 -20.554 -15.285 2.500 1.00 0.00 C ATOM 852 CG GLU A 56 -20.391 -14.982 3.981 1.00 0.00 C ATOM 853 CD GLU A 56 -19.034 -14.390 4.308 1.00 0.00 C ATOM 854 OE1 GLU A 56 -18.087 -15.172 4.540 1.00 0.00 O ATOM 855 OE2 GLU A 56 -18.918 -13.147 4.331 1.00 0.00 O ATOM 0 H GLU A 56 -22.363 -13.546 2.287 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.497 -13.549 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -21.524 -15.755 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.795 -16.008 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -21.171 -14.288 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.531 -15.899 4.553 1.00 0.00 H new ATOM 862 N GLU A 57 -21.525 -14.059 -0.569 1.00 0.00 N ATOM 863 CA GLU A 57 -21.667 -14.385 -1.984 1.00 0.00 C ATOM 864 C GLU A 57 -20.829 -13.437 -2.836 1.00 0.00 C ATOM 865 O GLU A 57 -21.073 -12.230 -2.860 1.00 0.00 O ATOM 866 CB GLU A 57 -23.139 -14.308 -2.400 1.00 0.00 C ATOM 867 CG GLU A 57 -23.474 -15.132 -3.635 1.00 0.00 C ATOM 868 CD GLU A 57 -22.756 -14.646 -4.879 1.00 0.00 C ATOM 869 OE1 GLU A 57 -23.241 -13.679 -5.503 1.00 0.00 O ATOM 870 OE2 GLU A 57 -21.711 -15.233 -5.228 1.00 0.00 O ATOM 0 H GLU A 57 -22.292 -13.507 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.310 -15.402 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.759 -14.646 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.399 -13.266 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.211 -16.174 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.550 -15.100 -3.806 1.00 0.00 H new ATOM 877 N ASN A 58 -19.843 -13.990 -3.533 1.00 0.00 N ATOM 878 CA ASN A 58 -18.964 -13.191 -4.381 1.00 0.00 C ATOM 879 C ASN A 58 -19.436 -13.200 -5.831 1.00 0.00 C ATOM 880 O ASN A 58 -19.557 -14.258 -6.449 1.00 0.00 O ATOM 881 CB ASN A 58 -17.530 -13.715 -4.298 1.00 0.00 C ATOM 882 CG ASN A 58 -16.945 -13.577 -2.908 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.059 -14.481 -2.080 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.315 -12.439 -2.643 1.00 0.00 N ATOM 0 H ASN A 58 -19.632 -14.988 -3.528 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.994 -12.163 -4.019 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.511 -14.764 -4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.906 -13.172 -5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.902 -12.287 -1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.244 -11.716 -3.359 1.00 0.00 H new ATOM 891 N LYS A 59 -19.699 -12.013 -6.369 1.00 0.00 N ATOM 892 CA LYS A 59 -20.153 -11.879 -7.748 1.00 0.00 C ATOM 893 C LYS A 59 -18.967 -11.694 -8.690 1.00 0.00 C ATOM 894 O LYS A 59 -17.819 -11.621 -8.252 1.00 0.00 O ATOM 895 CB LYS A 59 -21.118 -10.699 -7.879 1.00 0.00 C ATOM 896 CG LYS A 59 -22.336 -10.809 -6.974 1.00 0.00 C ATOM 897 CD LYS A 59 -23.269 -9.620 -7.143 1.00 0.00 C ATOM 898 CE LYS A 59 -23.934 -9.620 -8.510 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.886 -8.486 -8.665 1.00 0.00 N ATOM 0 H LYS A 59 -19.605 -11.129 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.676 -12.794 -8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.585 -9.777 -7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -21.450 -10.624 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.875 -11.730 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -22.013 -10.874 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -24.033 -9.643 -6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.708 -8.695 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.170 -9.561 -9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.464 -10.561 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.318 -8.522 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -25.630 -8.556 -7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.376 -7.587 -8.552 1.00 0.00 H new ATOM 913 N LEU A 60 -19.253 -11.619 -9.986 1.00 0.00 N ATOM 914 CA LEU A 60 -18.207 -11.447 -10.989 1.00 0.00 C ATOM 915 C LEU A 60 -17.766 -9.989 -11.081 1.00 0.00 C ATOM 916 O LEU A 60 -16.691 -9.690 -11.601 1.00 0.00 O ATOM 917 CB LEU A 60 -18.697 -11.935 -12.355 1.00 0.00 C ATOM 918 CG LEU A 60 -17.667 -11.860 -13.486 1.00 0.00 C ATOM 919 CD1 LEU A 60 -16.459 -12.729 -13.171 1.00 0.00 C ATOM 920 CD2 LEU A 60 -18.298 -12.277 -14.806 1.00 0.00 C ATOM 0 H LEU A 60 -20.198 -11.674 -10.366 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.347 -12.044 -10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.028 -12.969 -12.256 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -19.569 -11.347 -12.641 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.329 -10.828 -13.576 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.740 -12.661 -13.987 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.994 -12.384 -12.248 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.777 -13.765 -13.052 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.553 -12.218 -15.600 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.664 -13.301 -14.727 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -19.129 -11.611 -15.038 1.00 0.00 H new ATOM 932 N ILE A 61 -18.599 -9.087 -10.573 1.00 0.00 N ATOM 933 CA ILE A 61 -18.293 -7.660 -10.602 1.00 0.00 C ATOM 934 C ILE A 61 -17.066 -7.343 -9.746 1.00 0.00 C ATOM 935 O ILE A 61 -16.429 -6.301 -9.912 1.00 0.00 O ATOM 936 CB ILE A 61 -19.491 -6.820 -10.109 1.00 0.00 C ATOM 937 CG1 ILE A 61 -19.239 -5.329 -10.353 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.756 -7.082 -8.633 1.00 0.00 C ATOM 939 CD1 ILE A 61 -19.250 -4.943 -11.816 1.00 0.00 C ATOM 0 H ILE A 61 -19.491 -9.318 -10.136 1.00 0.00 H new ATOM 0 HA ILE A 61 -18.082 -7.399 -11.639 1.00 0.00 H new ATOM 0 HB ILE A 61 -20.374 -7.116 -10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.999 -4.750 -9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.276 -5.057 -9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.604 -6.481 -8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.981 -8.138 -8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.874 -6.814 -8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -19.065 -3.873 -11.911 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.472 -5.494 -12.344 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.221 -5.183 -12.248 1.00 0.00 H new ATOM 951 N TYR A 62 -16.733 -8.255 -8.838 1.00 0.00 N ATOM 952 CA TYR A 62 -15.586 -8.070 -7.956 1.00 0.00 C ATOM 953 C TYR A 62 -14.269 -8.228 -8.714 1.00 0.00 C ATOM 954 O TYR A 62 -13.221 -7.782 -8.246 1.00 0.00 O ATOM 955 CB TYR A 62 -15.642 -9.064 -6.794 1.00 0.00 C ATOM 956 CG TYR A 62 -16.713 -8.743 -5.776 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.468 -7.850 -4.740 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.969 -9.330 -5.852 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.443 -7.552 -3.809 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.951 -9.036 -4.925 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.683 -8.147 -3.906 1.00 0.00 C ATOM 962 OH TYR A 62 -19.658 -7.852 -2.980 1.00 0.00 O ATOM 0 H TYR A 62 -17.240 -9.128 -8.694 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.631 -7.055 -7.562 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.817 -10.064 -7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.673 -9.083 -6.296 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.498 -7.381 -4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -18.182 -10.028 -6.648 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.236 -6.857 -3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.923 -9.500 -4.999 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.898 -6.904 -3.048 1.00 0.00 H new ATOM 972 N THR A 63 -14.325 -8.859 -9.884 1.00 0.00 N ATOM 973 CA THR A 63 -13.126 -9.067 -10.689 1.00 0.00 C ATOM 974 C THR A 63 -12.644 -7.758 -11.326 1.00 0.00 C ATOM 975 O THR A 63 -11.476 -7.396 -11.180 1.00 0.00 O ATOM 976 CB THR A 63 -13.348 -10.129 -11.786 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.834 -11.342 -11.200 1.00 0.00 O ATOM 978 CG2 THR A 63 -12.054 -10.409 -12.539 1.00 0.00 C ATOM 0 H THR A 63 -15.181 -9.233 -10.293 1.00 0.00 H new ATOM 0 HA THR A 63 -12.356 -9.431 -10.009 1.00 0.00 H new ATOM 0 HB THR A 63 -14.085 -9.743 -12.491 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.823 -12.057 -11.871 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.235 -11.161 -13.307 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.699 -9.491 -13.007 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.300 -10.776 -11.843 1.00 0.00 H new ATOM 986 N PRO A 64 -13.524 -7.024 -12.046 1.00 0.00 N ATOM 987 CA PRO A 64 -13.146 -5.752 -12.673 1.00 0.00 C ATOM 988 C PRO A 64 -12.846 -4.674 -11.638 1.00 0.00 C ATOM 989 O PRO A 64 -11.903 -3.897 -11.792 1.00 0.00 O ATOM 990 CB PRO A 64 -14.377 -5.373 -13.501 1.00 0.00 C ATOM 991 CG PRO A 64 -15.507 -6.083 -12.842 1.00 0.00 C ATOM 992 CD PRO A 64 -14.931 -7.370 -12.326 1.00 0.00 C ATOM 0 HA PRO A 64 -12.237 -5.845 -13.267 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.535 -4.295 -13.505 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.266 -5.683 -14.540 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.924 -5.487 -12.030 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.316 -6.271 -13.548 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.448 -7.711 -11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.010 -8.170 -13.062 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.656 -4.632 -10.580 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.471 -3.649 -9.516 1.00 0.00 C ATOM 1002 C ILE A 65 -12.091 -3.789 -8.877 1.00 0.00 C ATOM 1003 O ILE A 65 -11.403 -2.796 -8.639 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.557 -3.792 -8.428 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.930 -3.429 -8.999 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -14.231 -2.919 -7.223 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -17.077 -3.708 -8.050 1.00 0.00 C ATOM 0 H ILE A 65 -14.443 -5.265 -10.438 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.556 -2.662 -9.970 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.581 -4.831 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.936 -2.371 -9.262 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -16.089 -3.987 -9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -15.009 -3.035 -6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.271 -3.221 -6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.179 -1.875 -7.533 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -18.018 -3.426 -8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -17.098 -4.770 -7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.942 -3.129 -7.136 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.694 -5.028 -8.605 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.396 -5.297 -7.996 1.00 0.00 C ATOM 1021 C PHE A 66 -9.261 -4.842 -8.907 1.00 0.00 C ATOM 1022 O PHE A 66 -8.308 -4.210 -8.457 1.00 0.00 O ATOM 1023 CB PHE A 66 -10.255 -6.790 -7.687 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.938 -7.158 -7.064 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.662 -6.825 -5.747 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.978 -7.839 -7.793 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.453 -7.166 -5.171 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.766 -8.182 -7.222 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.504 -7.844 -5.910 1.00 0.00 C ATOM 0 H PHE A 66 -12.251 -5.861 -8.796 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.335 -4.733 -7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.060 -7.090 -7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.381 -7.356 -8.610 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.400 -6.293 -5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.178 -8.106 -8.820 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.251 -6.902 -4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.026 -8.713 -7.802 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.558 -8.109 -5.462 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.373 -5.167 -10.192 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.356 -4.792 -11.167 1.00 0.00 C ATOM 1041 C ASN A 67 -8.189 -3.275 -11.229 1.00 0.00 C ATOM 1042 O ASN A 67 -7.093 -2.773 -11.477 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.722 -5.332 -12.551 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.907 -6.839 -12.561 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -9.697 -7.372 -13.342 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.181 -7.536 -11.695 1.00 0.00 N ATOM 0 H ASN A 67 -10.158 -5.689 -10.581 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.409 -5.230 -10.851 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.641 -4.855 -12.891 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.940 -5.061 -13.261 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.266 -8.552 -11.659 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.538 -7.056 -11.065 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.282 -2.554 -10.999 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.258 -1.094 -11.029 1.00 0.00 C ATOM 1055 C GLU A 68 -8.483 -0.533 -9.841 1.00 0.00 C ATOM 1056 O GLU A 68 -7.754 0.450 -9.972 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.685 -0.541 -11.027 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.752 0.978 -11.056 1.00 0.00 C ATOM 1059 CD GLU A 68 -10.101 1.569 -12.293 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -8.882 1.836 -12.252 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -10.812 1.764 -13.301 1.00 0.00 O ATOM 0 H GLU A 68 -10.196 -2.956 -10.790 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.754 -0.785 -11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.219 -0.936 -11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.204 -0.902 -10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.795 1.293 -11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.263 1.376 -10.167 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.651 -1.160 -8.682 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.967 -0.726 -7.467 1.00 0.00 C ATOM 1070 C TYR A 69 -6.467 -1.002 -7.560 1.00 0.00 C ATOM 1071 O TYR A 69 -5.645 -0.199 -7.113 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.562 -1.441 -6.251 1.00 0.00 C ATOM 1073 CG TYR A 69 -8.012 -0.962 -4.926 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -6.884 -1.549 -4.367 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -8.625 0.073 -4.234 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -6.382 -1.116 -3.155 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -8.130 0.513 -3.022 1.00 0.00 C ATOM 1078 CZ TYR A 69 -7.009 -0.085 -2.486 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.512 0.350 -1.279 1.00 0.00 O ATOM 0 H TYR A 69 -9.256 -1.972 -8.557 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.109 0.349 -7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.643 -1.304 -6.255 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.376 -2.511 -6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.392 -2.357 -4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.504 0.542 -4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.504 -1.582 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.618 1.321 -2.497 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.068 1.082 -0.941 1.00 0.00 H new ATOM 1089 N ILE A 70 -6.121 -2.144 -8.142 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.727 -2.543 -8.295 1.00 0.00 C ATOM 1091 C ILE A 70 -4.031 -1.735 -9.390 1.00 0.00 C ATOM 1092 O ILE A 70 -2.820 -1.527 -9.345 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.611 -4.048 -8.616 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -5.347 -4.874 -7.555 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -3.149 -4.467 -8.706 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.789 -4.717 -6.154 1.00 0.00 C ATOM 0 H ILE A 70 -6.792 -2.814 -8.518 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.233 -2.342 -7.344 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.076 -4.234 -9.584 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.398 -4.586 -7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.306 -5.926 -7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.089 -5.531 -8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.656 -3.899 -9.495 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.655 -4.270 -7.754 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.364 -5.333 -5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.746 -5.033 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.856 -3.672 -5.851 1.00 0.00 H new ATOM 1108 N SER A 71 -4.798 -1.291 -10.377 1.00 0.00 N ATOM 1109 CA SER A 71 -4.243 -0.516 -11.480 1.00 0.00 C ATOM 1110 C SER A 71 -4.160 0.971 -11.141 1.00 0.00 C ATOM 1111 O SER A 71 -3.244 1.665 -11.579 1.00 0.00 O ATOM 1112 CB SER A 71 -5.090 -0.711 -12.738 1.00 0.00 C ATOM 1113 OG SER A 71 -5.068 -2.062 -13.164 1.00 0.00 O ATOM 0 H SER A 71 -5.803 -1.453 -10.437 1.00 0.00 H new ATOM 0 HA SER A 71 -3.230 -0.878 -11.659 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.117 -0.406 -12.539 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.716 -0.069 -13.535 1.00 0.00 H new ATOM 0 HG SER A 71 -5.749 -2.570 -12.675 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.126 1.460 -10.371 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.165 2.871 -9.998 1.00 0.00 C ATOM 1121 C LEU A 72 -4.401 3.165 -8.704 1.00 0.00 C ATOM 1122 O LEU A 72 -3.426 3.915 -8.707 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.616 3.327 -9.845 1.00 0.00 C ATOM 1124 CG LEU A 72 -6.796 4.804 -9.492 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -7.370 5.570 -10.673 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.689 4.951 -8.271 1.00 0.00 C ATOM 0 H LEU A 72 -5.892 0.902 -9.993 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.673 3.424 -10.799 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.145 3.125 -10.776 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.091 2.724 -9.071 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.819 5.225 -9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.491 6.619 -10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.692 5.490 -11.523 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.340 5.151 -10.942 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.808 6.008 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.666 4.514 -8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.235 4.436 -7.424 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.851 2.565 -7.605 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.245 2.796 -6.294 1.00 0.00 C ATOM 1140 C VAL A 73 -2.824 2.247 -6.182 1.00 0.00 C ATOM 1141 O VAL A 73 -1.885 3.000 -5.914 1.00 0.00 O ATOM 1142 CB VAL A 73 -5.107 2.188 -5.173 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.497 2.472 -3.809 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.527 2.726 -5.250 1.00 0.00 C ATOM 0 H VAL A 73 -5.635 1.913 -7.595 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.193 3.879 -6.182 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.138 1.107 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.123 2.033 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.499 2.037 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.432 3.549 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.126 2.288 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.512 3.810 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.963 2.466 -6.215 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.663 0.942 -6.374 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.345 0.319 -6.265 1.00 0.00 C ATOM 1156 C GLU A 74 -0.313 1.044 -7.125 1.00 0.00 C ATOM 1157 O GLU A 74 0.812 1.286 -6.688 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.414 -1.156 -6.662 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.103 -1.901 -6.472 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.201 -3.365 -6.852 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.020 -3.687 -8.039 1.00 0.00 O ATOM 1162 OE2 GLU A 74 -0.499 -4.190 -5.964 1.00 0.00 O ATOM 0 H GLU A 74 -3.420 0.298 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.031 0.393 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.189 -1.646 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.715 -1.228 -7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.671 -1.425 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.208 -1.820 -5.430 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.701 1.396 -8.347 1.00 0.00 N ATOM 1170 CA LYS A 75 0.201 2.095 -9.255 1.00 0.00 C ATOM 1171 C LYS A 75 0.388 3.547 -8.832 1.00 0.00 C ATOM 1172 O LYS A 75 1.396 4.170 -9.163 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.323 2.031 -10.690 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.315 0.629 -11.277 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.589 0.653 -12.771 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.527 -0.742 -13.373 1.00 0.00 C ATOM 1177 NZ LYS A 75 -0.770 -0.722 -14.841 1.00 0.00 N ATOM 0 H LYS A 75 -1.628 1.210 -8.729 1.00 0.00 H new ATOM 0 HA LYS A 75 1.169 1.597 -9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.341 2.421 -10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.283 2.683 -11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.651 0.160 -11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.068 0.019 -10.777 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.572 1.086 -12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.139 1.296 -13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.450 -1.181 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.268 -1.379 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.720 -1.691 -15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.713 -0.326 -15.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.048 -0.134 -15.304 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.585 4.087 -8.100 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.506 5.467 -7.633 1.00 0.00 C ATOM 1193 C TYR A 76 0.692 5.649 -6.708 1.00 0.00 C ATOM 1194 O TYR A 76 1.471 6.590 -6.865 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.796 5.866 -6.909 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.792 7.292 -6.400 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -2.124 8.350 -7.238 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.454 7.579 -5.083 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -2.117 9.654 -6.778 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.446 8.880 -4.616 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.779 9.912 -5.467 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.770 11.210 -5.005 1.00 0.00 O ATOM 0 H TYR A 76 -1.432 3.592 -7.820 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.380 6.114 -8.501 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.639 5.734 -7.588 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.955 5.190 -6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.392 8.150 -8.265 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.193 6.773 -4.414 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.375 10.466 -7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.180 9.087 -3.590 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.668 11.826 -5.761 1.00 0.00 H new ATOM 1212 N ILE A 77 0.837 4.742 -5.746 1.00 0.00 N ATOM 1213 CA ILE A 77 1.947 4.803 -4.802 1.00 0.00 C ATOM 1214 C ILE A 77 3.269 4.481 -5.491 1.00 0.00 C ATOM 1215 O ILE A 77 4.273 5.158 -5.275 1.00 0.00 O ATOM 1216 CB ILE A 77 1.747 3.822 -3.629 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.439 4.124 -2.895 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.927 3.894 -2.669 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.109 3.119 -1.810 1.00 0.00 C ATOM 0 H ILE A 77 0.201 3.958 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 77 1.974 5.821 -4.414 1.00 0.00 H new ATOM 0 HB ILE A 77 1.690 2.810 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.501 5.118 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.377 4.148 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.770 3.196 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.843 3.632 -3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.013 4.906 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.831 3.395 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.014 2.126 -2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.906 3.112 -1.066 1.00 0.00 H new ATOM 1231 N GLU A 78 3.258 3.442 -6.322 1.00 0.00 N ATOM 1232 CA GLU A 78 4.457 3.019 -7.040 1.00 0.00 C ATOM 1233 C GLU A 78 5.033 4.153 -7.888 1.00 0.00 C ATOM 1234 O GLU A 78 6.225 4.448 -7.816 1.00 0.00 O ATOM 1235 CB GLU A 78 4.141 1.815 -7.931 1.00 0.00 C ATOM 1236 CG GLU A 78 5.354 1.266 -8.664 1.00 0.00 C ATOM 1237 CD GLU A 78 5.006 0.109 -9.580 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.006 -1.046 -9.104 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.733 0.357 -10.773 1.00 0.00 O ATOM 0 H GLU A 78 2.431 2.877 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 78 5.205 2.737 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.708 1.024 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.385 2.103 -8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.812 2.063 -9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.096 0.938 -7.936 1.00 0.00 H new ATOM 1246 N GLU A 79 4.177 4.784 -8.686 1.00 0.00 N ATOM 1247 CA GLU A 79 4.599 5.878 -9.556 1.00 0.00 C ATOM 1248 C GLU A 79 5.173 7.043 -8.755 1.00 0.00 C ATOM 1249 O GLU A 79 6.230 7.577 -9.093 1.00 0.00 O ATOM 1250 CB GLU A 79 3.422 6.363 -10.406 1.00 0.00 C ATOM 1251 CG GLU A 79 2.993 5.370 -11.476 1.00 0.00 C ATOM 1252 CD GLU A 79 4.076 5.119 -12.507 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.152 5.889 -13.488 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.849 4.154 -12.333 1.00 0.00 O ATOM 0 H GLU A 79 3.185 4.556 -8.749 1.00 0.00 H new ATOM 0 HA GLU A 79 5.385 5.496 -10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.574 6.570 -9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.693 7.304 -10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.722 4.426 -11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.100 5.744 -11.976 1.00 0.00 H new ATOM 1261 N GLN A 80 4.476 7.430 -7.691 1.00 0.00 N ATOM 1262 CA GLN A 80 4.918 8.539 -6.849 1.00 0.00 C ATOM 1263 C GLN A 80 6.313 8.284 -6.289 1.00 0.00 C ATOM 1264 O GLN A 80 7.094 9.216 -6.099 1.00 0.00 O ATOM 1265 CB GLN A 80 3.929 8.759 -5.701 1.00 0.00 C ATOM 1266 CG GLN A 80 2.605 9.360 -6.145 1.00 0.00 C ATOM 1267 CD GLN A 80 2.753 10.768 -6.689 1.00 0.00 C ATOM 1268 OE1 GLN A 80 1.999 11.189 -7.567 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.726 11.507 -6.168 1.00 0.00 N ATOM 0 H GLN A 80 3.604 6.994 -7.391 1.00 0.00 H new ATOM 0 HA GLN A 80 4.956 9.435 -7.468 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.739 7.805 -5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.386 9.415 -4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.161 8.724 -6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.915 9.372 -5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.328 11.119 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.871 12.463 -6.494 1.00 0.00 H new ATOM 1278 N LEU A 81 6.621 7.018 -6.028 1.00 0.00 N ATOM 1279 CA LEU A 81 7.924 6.644 -5.492 1.00 0.00 C ATOM 1280 C LEU A 81 8.989 6.647 -6.585 1.00 0.00 C ATOM 1281 O LEU A 81 10.142 7.004 -6.341 1.00 0.00 O ATOM 1282 CB LEU A 81 7.848 5.265 -4.832 1.00 0.00 C ATOM 1283 CG LEU A 81 6.957 5.190 -3.590 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.821 3.752 -3.115 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.514 6.068 -2.478 1.00 0.00 C ATOM 0 H LEU A 81 5.986 6.234 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 81 8.206 7.382 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.483 4.547 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.856 4.955 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 81 5.967 5.559 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.184 3.719 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.376 3.148 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.806 3.356 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.867 6.002 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.516 5.730 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.558 7.102 -2.819 1.00 0.00 H new ATOM 1297 N LEU A 82 8.595 6.253 -7.793 1.00 0.00 N ATOM 1298 CA LEU A 82 9.516 6.207 -8.924 1.00 0.00 C ATOM 1299 C LEU A 82 9.957 7.608 -9.338 1.00 0.00 C ATOM 1300 O LEU A 82 11.012 7.778 -9.951 1.00 0.00 O ATOM 1301 CB LEU A 82 8.866 5.493 -10.112 1.00 0.00 C ATOM 1302 CG LEU A 82 8.597 4.000 -9.904 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.770 3.442 -11.053 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.906 3.236 -9.768 1.00 0.00 C ATOM 0 H LEU A 82 7.643 5.961 -8.014 1.00 0.00 H new ATOM 0 HA LEU A 82 10.399 5.650 -8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.922 5.988 -10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.509 5.613 -10.984 1.00 0.00 H new ATOM 0 HG LEU A 82 8.030 3.878 -8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.589 2.380 -10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.817 3.969 -11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.311 3.577 -11.990 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.695 2.177 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.499 3.366 -10.673 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.463 3.618 -8.912 1.00 0.00 H new ATOM 1316 N GLN A 83 9.145 8.608 -9.005 1.00 0.00 N ATOM 1317 CA GLN A 83 9.460 9.992 -9.348 1.00 0.00 C ATOM 1318 C GLN A 83 10.794 10.421 -8.744 1.00 0.00 C ATOM 1319 O GLN A 83 11.454 11.325 -9.258 1.00 0.00 O ATOM 1320 CB GLN A 83 8.351 10.931 -8.865 1.00 0.00 C ATOM 1321 CG GLN A 83 7.004 10.678 -9.524 1.00 0.00 C ATOM 1322 CD GLN A 83 5.944 11.676 -9.093 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.039 12.004 -9.859 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.051 12.162 -7.861 1.00 0.00 N ATOM 0 H GLN A 83 8.267 8.487 -8.500 1.00 0.00 H new ATOM 0 HA GLN A 83 9.535 10.053 -10.434 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.243 10.826 -7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.651 11.961 -9.056 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.120 10.722 -10.607 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.669 9.670 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.818 11.862 -7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.366 12.835 -7.517 1.00 0.00 H new ATOM 1333 N ARG A 84 11.186 9.772 -7.651 1.00 0.00 N ATOM 1334 CA ARG A 84 12.441 10.096 -6.979 1.00 0.00 C ATOM 1335 C ARG A 84 13.389 8.901 -6.981 1.00 0.00 C ATOM 1336 O ARG A 84 14.603 9.060 -6.849 1.00 0.00 O ATOM 1337 CB ARG A 84 12.168 10.544 -5.542 1.00 0.00 C ATOM 1338 CG ARG A 84 11.233 11.739 -5.444 1.00 0.00 C ATOM 1339 CD ARG A 84 10.887 12.058 -4.000 1.00 0.00 C ATOM 1340 NE ARG A 84 9.912 13.140 -3.898 1.00 0.00 N ATOM 1341 CZ ARG A 84 8.959 13.192 -2.971 1.00 0.00 C ATOM 1342 NH1 ARG A 84 8.850 12.223 -2.071 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.112 14.212 -2.944 1.00 0.00 N ATOM 0 H ARG A 84 10.654 9.020 -7.213 1.00 0.00 H new ATOM 0 HA ARG A 84 12.917 10.910 -7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.738 9.711 -4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.114 10.793 -5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.701 12.607 -5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.319 11.534 -6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.490 11.165 -3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.794 12.335 -3.462 1.00 0.00 H new ATOM 0 HE ARG A 84 9.964 13.900 -4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.498 11.435 -2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.118 12.266 -1.362 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.190 14.958 -3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.382 14.250 -2.233 1.00 0.00 H new ATOM 1357 N ILE A 85 12.828 7.706 -7.131 1.00 0.00 N ATOM 1358 CA ILE A 85 13.623 6.483 -7.147 1.00 0.00 C ATOM 1359 C ILE A 85 13.298 5.634 -8.376 1.00 0.00 C ATOM 1360 O ILE A 85 12.412 4.781 -8.332 1.00 0.00 O ATOM 1361 CB ILE A 85 13.383 5.643 -5.875 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.515 6.522 -4.626 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.363 4.480 -5.817 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.084 5.834 -3.349 1.00 0.00 C ATOM 0 H ILE A 85 11.825 7.558 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 85 14.670 6.783 -7.183 1.00 0.00 H new ATOM 0 HB ILE A 85 12.371 5.239 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.553 6.840 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.917 7.423 -4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.182 3.896 -4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.227 3.846 -6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.383 4.864 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.206 6.517 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.037 5.540 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.698 4.948 -3.188 1.00 0.00 H new ATOM 1376 N PRO A 86 14.009 5.861 -9.498 1.00 0.00 N ATOM 1377 CA PRO A 86 13.783 5.113 -10.738 1.00 0.00 C ATOM 1378 C PRO A 86 14.262 3.668 -10.643 1.00 0.00 C ATOM 1379 O PRO A 86 14.088 2.882 -11.574 1.00 0.00 O ATOM 1380 CB PRO A 86 14.607 5.882 -11.773 1.00 0.00 C ATOM 1381 CG PRO A 86 15.691 6.528 -10.982 1.00 0.00 C ATOM 1382 CD PRO A 86 15.085 6.862 -9.647 1.00 0.00 C ATOM 0 HA PRO A 86 12.723 5.044 -10.982 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.014 5.214 -12.532 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.000 6.623 -12.293 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.543 5.858 -10.867 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.056 7.426 -11.481 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.818 6.787 -8.843 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.693 7.879 -9.627 1.00 0.00 H new ATOM 1390 N GLU A 87 14.867 3.328 -9.511 1.00 0.00 N ATOM 1391 CA GLU A 87 15.374 1.979 -9.286 1.00 0.00 C ATOM 1392 C GLU A 87 14.599 1.283 -8.171 1.00 0.00 C ATOM 1393 O GLU A 87 15.042 0.268 -7.633 1.00 0.00 O ATOM 1394 CB GLU A 87 16.862 2.028 -8.934 1.00 0.00 C ATOM 1395 CG GLU A 87 17.167 2.882 -7.716 1.00 0.00 C ATOM 1396 CD GLU A 87 18.649 2.944 -7.403 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.329 3.846 -7.935 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.129 2.090 -6.629 1.00 0.00 O ATOM 0 H GLU A 87 15.019 3.969 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 87 15.241 1.408 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.219 1.014 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.417 2.416 -9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.792 3.892 -7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.634 2.482 -6.854 1.00 0.00 H new ATOM 1405 N PHE A 88 13.437 1.835 -7.833 1.00 0.00 N ATOM 1406 CA PHE A 88 12.600 1.275 -6.778 1.00 0.00 C ATOM 1407 C PHE A 88 11.892 0.007 -7.248 1.00 0.00 C ATOM 1408 O PHE A 88 11.336 -0.037 -8.345 1.00 0.00 O ATOM 1409 CB PHE A 88 11.567 2.307 -6.320 1.00 0.00 C ATOM 1410 CG PHE A 88 10.747 1.858 -5.143 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.242 1.967 -3.854 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.480 1.327 -5.327 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.490 1.555 -2.770 1.00 0.00 C ATOM 1414 CE2 PHE A 88 8.723 0.913 -4.247 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.228 1.028 -2.967 1.00 0.00 C ATOM 0 H PHE A 88 13.054 2.670 -8.275 1.00 0.00 H new ATOM 0 HA PHE A 88 13.247 1.014 -5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.081 3.233 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.900 2.534 -7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.227 2.379 -3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.080 1.236 -6.326 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.888 1.645 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.738 0.500 -4.404 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.638 0.707 -2.122 1.00 0.00 H new ATOM 1425 N ASN A 89 11.918 -1.021 -6.406 1.00 0.00 N ATOM 1426 CA ASN A 89 11.272 -2.290 -6.722 1.00 0.00 C ATOM 1427 C ASN A 89 10.131 -2.562 -5.747 1.00 0.00 C ATOM 1428 O ASN A 89 10.357 -3.001 -4.621 1.00 0.00 O ATOM 1429 CB ASN A 89 12.287 -3.434 -6.670 1.00 0.00 C ATOM 1430 CG ASN A 89 13.421 -3.245 -7.658 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.447 -2.646 -7.335 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.242 -3.757 -8.870 1.00 0.00 N ATOM 0 H ASN A 89 12.381 -1.000 -5.497 1.00 0.00 H new ATOM 0 HA ASN A 89 10.866 -2.227 -7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.695 -3.508 -5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.780 -4.376 -6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.971 -3.661 -9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.375 -4.246 -9.094 1.00 0.00 H new ATOM 1439 N MET A 90 8.906 -2.291 -6.188 1.00 0.00 N ATOM 1440 CA MET A 90 7.728 -2.495 -5.353 1.00 0.00 C ATOM 1441 C MET A 90 7.580 -3.962 -4.957 1.00 0.00 C ATOM 1442 O MET A 90 7.098 -4.276 -3.868 1.00 0.00 O ATOM 1443 CB MET A 90 6.473 -2.024 -6.093 1.00 0.00 C ATOM 1444 CG MET A 90 5.508 -1.237 -5.221 1.00 0.00 C ATOM 1445 SD MET A 90 4.904 -2.186 -3.813 1.00 0.00 S ATOM 1446 CE MET A 90 3.876 -0.965 -3.001 1.00 0.00 C ATOM 0 H MET A 90 8.704 -1.929 -7.120 1.00 0.00 H new ATOM 0 HA MET A 90 7.852 -1.908 -4.443 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.772 -1.405 -6.939 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.955 -2.892 -6.501 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.004 -0.336 -4.860 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.661 -0.914 -5.826 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.573 -1.337 -2.022 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.438 -0.039 -2.879 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.990 -0.774 -3.607 1.00 0.00 H new ATOM 1456 N ALA A 91 7.999 -4.856 -5.848 1.00 0.00 N ATOM 1457 CA ALA A 91 7.908 -6.290 -5.596 1.00 0.00 C ATOM 1458 C ALA A 91 8.844 -6.724 -4.472 1.00 0.00 C ATOM 1459 O ALA A 91 8.405 -7.290 -3.470 1.00 0.00 O ATOM 1460 CB ALA A 91 8.218 -7.065 -6.868 1.00 0.00 C ATOM 0 H ALA A 91 8.405 -4.612 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 91 6.888 -6.509 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.147 -8.134 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.503 -6.792 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.227 -6.824 -7.204 1.00 0.00 H new ATOM 1466 N ALA A 92 10.135 -6.456 -4.645 1.00 0.00 N ATOM 1467 CA ALA A 92 11.135 -6.824 -3.646 1.00 0.00 C ATOM 1468 C ALA A 92 10.934 -6.050 -2.348 1.00 0.00 C ATOM 1469 O ALA A 92 11.313 -6.516 -1.273 1.00 0.00 O ATOM 1470 CB ALA A 92 12.536 -6.586 -4.190 1.00 0.00 C ATOM 0 H ALA A 92 10.514 -5.986 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 92 11.014 -7.885 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.272 -6.864 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.687 -7.191 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.655 -5.532 -4.441 1.00 0.00 H new ATOM 1476 N PHE A 93 10.335 -4.869 -2.454 1.00 0.00 N ATOM 1477 CA PHE A 93 10.089 -4.032 -1.285 1.00 0.00 C ATOM 1478 C PHE A 93 9.113 -4.708 -0.327 1.00 0.00 C ATOM 1479 O PHE A 93 9.402 -4.861 0.859 1.00 0.00 O ATOM 1480 CB PHE A 93 9.542 -2.668 -1.716 1.00 0.00 C ATOM 1481 CG PHE A 93 9.177 -1.771 -0.567 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.158 -1.243 0.259 1.00 0.00 C ATOM 1483 CD2 PHE A 93 7.852 -1.455 -0.312 1.00 0.00 C ATOM 1484 CE1 PHE A 93 9.824 -0.418 1.315 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.512 -0.630 0.743 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.498 -0.111 1.557 1.00 0.00 C ATOM 0 H PHE A 93 10.011 -4.470 -3.335 1.00 0.00 H new ATOM 0 HA PHE A 93 11.036 -3.888 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.287 -2.167 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.661 -2.821 -2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.195 -1.480 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.076 -1.858 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.598 -0.013 1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.475 -0.392 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.234 0.534 2.382 1.00 0.00 H new ATOM 1496 N THR A 94 7.960 -5.113 -0.851 1.00 0.00 N ATOM 1497 CA THR A 94 6.938 -5.768 -0.043 1.00 0.00 C ATOM 1498 C THR A 94 7.427 -7.105 0.507 1.00 0.00 C ATOM 1499 O THR A 94 7.102 -7.475 1.635 1.00 0.00 O ATOM 1500 CB THR A 94 5.651 -6.004 -0.852 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.934 -6.813 -1.999 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.044 -4.681 -1.298 1.00 0.00 C ATOM 0 H THR A 94 7.710 -4.999 -1.833 1.00 0.00 H new ATOM 0 HA THR A 94 6.724 -5.097 0.789 1.00 0.00 H new ATOM 0 HB THR A 94 4.935 -6.519 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.884 -6.735 -2.228 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.135 -4.872 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.803 -4.078 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.759 -4.145 -1.923 1.00 0.00 H new ATOM 1510 N THR A 95 8.207 -7.824 -0.295 1.00 0.00 N ATOM 1511 CA THR A 95 8.735 -9.122 0.114 1.00 0.00 C ATOM 1512 C THR A 95 9.522 -9.008 1.417 1.00 0.00 C ATOM 1513 O THR A 95 9.300 -9.773 2.356 1.00 0.00 O ATOM 1514 CB THR A 95 9.644 -9.727 -0.971 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.975 -9.704 -2.238 1.00 0.00 O ATOM 1516 CG2 THR A 95 10.024 -11.159 -0.624 1.00 0.00 C ATOM 0 H THR A 95 8.487 -7.530 -1.231 1.00 0.00 H new ATOM 0 HA THR A 95 7.878 -9.779 0.265 1.00 0.00 H new ATOM 0 HB THR A 95 10.553 -9.128 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.993 -8.794 -2.601 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.666 -11.565 -1.406 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.556 -11.174 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.122 -11.766 -0.545 1.00 0.00 H new ATOM 1524 N THR A 96 10.441 -8.050 1.464 1.00 0.00 N ATOM 1525 CA THR A 96 11.260 -7.831 2.651 1.00 0.00 C ATOM 1526 C THR A 96 10.461 -7.116 3.736 1.00 0.00 C ATOM 1527 O THR A 96 10.716 -7.293 4.926 1.00 0.00 O ATOM 1528 CB THR A 96 12.516 -7.002 2.318 1.00 0.00 C ATOM 1529 OG1 THR A 96 13.274 -7.653 1.291 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.387 -6.812 3.551 1.00 0.00 C ATOM 0 H THR A 96 10.638 -7.412 0.693 1.00 0.00 H new ATOM 0 HA THR A 96 11.569 -8.811 3.015 1.00 0.00 H new ATOM 0 HB THR A 96 12.192 -6.022 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.070 -7.120 1.084 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.266 -6.224 3.288 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.819 -6.291 4.321 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.701 -7.785 3.928 1.00 0.00 H new ATOM 1538 N LEU A 97 9.492 -6.307 3.313 1.00 0.00 N ATOM 1539 CA LEU A 97 8.652 -5.555 4.242 1.00 0.00 C ATOM 1540 C LEU A 97 7.956 -6.488 5.230 1.00 0.00 C ATOM 1541 O LEU A 97 7.960 -6.239 6.435 1.00 0.00 O ATOM 1542 CB LEU A 97 7.603 -4.747 3.470 1.00 0.00 C ATOM 1543 CG LEU A 97 7.226 -3.394 4.082 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.192 -2.692 3.217 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.701 -3.565 5.502 1.00 0.00 C ATOM 0 H LEU A 97 9.269 -6.155 2.329 1.00 0.00 H new ATOM 0 HA LEU A 97 9.294 -4.875 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.973 -4.577 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.699 -5.350 3.382 1.00 0.00 H new ATOM 0 HG LEU A 97 8.125 -2.778 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.934 -1.732 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.602 -2.529 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.297 -3.311 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.441 -2.590 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.816 -4.201 5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.470 -4.026 6.121 1.00 0.00 H new ATOM 1557 N GLN A 98 7.367 -7.562 4.709 1.00 0.00 N ATOM 1558 CA GLN A 98 6.657 -8.532 5.541 1.00 0.00 C ATOM 1559 C GLN A 98 7.526 -8.999 6.703 1.00 0.00 C ATOM 1560 O GLN A 98 7.021 -9.366 7.764 1.00 0.00 O ATOM 1561 CB GLN A 98 6.223 -9.731 4.697 1.00 0.00 C ATOM 1562 CG GLN A 98 5.272 -9.366 3.568 1.00 0.00 C ATOM 1563 CD GLN A 98 4.922 -10.551 2.687 1.00 0.00 C ATOM 1564 OE1 GLN A 98 3.824 -10.625 2.137 1.00 0.00 O ATOM 1565 NE2 GLN A 98 5.858 -11.484 2.546 1.00 0.00 N ATOM 0 H GLN A 98 7.367 -7.783 3.713 1.00 0.00 H new ATOM 0 HA GLN A 98 5.773 -8.043 5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.108 -10.208 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.742 -10.465 5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.357 -8.950 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.724 -8.585 2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 98 6.755 -11.382 3.021 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.679 -12.302 1.963 1.00 0.00 H new ATOM 1574 N HIS A 99 8.836 -8.983 6.493 1.00 0.00 N ATOM 1575 CA HIS A 99 9.782 -9.392 7.521 1.00 0.00 C ATOM 1576 C HIS A 99 10.203 -8.192 8.365 1.00 0.00 C ATOM 1577 O HIS A 99 10.341 -8.288 9.586 1.00 0.00 O ATOM 1578 CB HIS A 99 11.004 -10.045 6.869 1.00 0.00 C ATOM 1579 CG HIS A 99 12.160 -10.252 7.799 1.00 0.00 C ATOM 1580 ND1 HIS A 99 12.065 -10.964 8.977 1.00 0.00 N ATOM 1581 CD2 HIS A 99 13.445 -9.838 7.713 1.00 0.00 C ATOM 1582 CE1 HIS A 99 13.244 -10.978 9.576 1.00 0.00 C ATOM 1583 NE2 HIS A 99 14.097 -10.302 8.829 1.00 0.00 N ATOM 0 H HIS A 99 9.268 -8.690 5.617 1.00 0.00 H new ATOM 0 HA HIS A 99 9.302 -10.118 8.177 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.709 -11.009 6.454 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.331 -9.425 6.034 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.877 -9.252 6.916 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.470 -11.460 10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 99 15.082 -10.149 9.046 1.00 0.00 H new ATOM 1592 N HIS A 100 10.378 -7.051 7.706 1.00 0.00 N ATOM 1593 CA HIS A 100 10.787 -5.831 8.388 1.00 0.00 C ATOM 1594 C HIS A 100 9.676 -5.320 9.298 1.00 0.00 C ATOM 1595 O HIS A 100 9.861 -4.348 10.031 1.00 0.00 O ATOM 1596 CB HIS A 100 11.167 -4.753 7.371 1.00 0.00 C ATOM 1597 CG HIS A 100 12.211 -3.802 7.869 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.963 -2.840 8.827 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.519 -3.674 7.541 1.00 0.00 C ATOM 1600 CE1 HIS A 100 13.071 -2.160 9.063 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.029 -2.647 8.297 1.00 0.00 N ATOM 0 H HIS A 100 10.243 -6.947 6.700 1.00 0.00 H new ATOM 0 HA HIS A 100 11.658 -6.062 9.001 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.529 -5.234 6.462 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.274 -4.190 7.100 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.060 -4.269 6.820 1.00 0.00 H new ATOM 0 HE1 HIS A 100 13.175 -1.345 9.763 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.993 -2.314 8.271 1.00 0.00 H new ATOM 1610 N LYS A 101 8.519 -5.978 9.246 1.00 0.00 N ATOM 1611 CA LYS A 101 7.384 -5.588 10.073 1.00 0.00 C ATOM 1612 C LYS A 101 7.739 -5.667 11.553 1.00 0.00 C ATOM 1613 O LYS A 101 7.075 -5.056 12.391 1.00 0.00 O ATOM 1614 CB LYS A 101 6.169 -6.473 9.785 1.00 0.00 C ATOM 1615 CG LYS A 101 5.607 -6.303 8.383 1.00 0.00 C ATOM 1616 CD LYS A 101 4.203 -6.882 8.268 1.00 0.00 C ATOM 1617 CE LYS A 101 4.192 -8.386 8.497 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.807 -8.929 8.548 1.00 0.00 N ATOM 0 H LYS A 101 8.345 -6.781 8.641 1.00 0.00 H new ATOM 0 HA LYS A 101 7.134 -4.556 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.448 -7.517 9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.387 -6.248 10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.587 -5.244 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.264 -6.794 7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.550 -6.399 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.799 -6.662 7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.746 -8.879 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.706 -8.615 9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.842 -9.956 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.285 -8.477 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.324 -8.733 7.648 1.00 0.00 H new ATOM 1632 N ASP A 102 8.786 -6.427 11.871 1.00 0.00 N ATOM 1633 CA ASP A 102 9.223 -6.573 13.257 1.00 0.00 C ATOM 1634 C ASP A 102 9.487 -5.207 13.887 1.00 0.00 C ATOM 1635 O ASP A 102 9.478 -5.062 15.109 1.00 0.00 O ATOM 1636 CB ASP A 102 10.485 -7.435 13.335 1.00 0.00 C ATOM 1637 CG ASP A 102 10.232 -8.872 12.922 1.00 0.00 C ATOM 1638 OD1 ASP A 102 9.422 -9.548 13.589 1.00 0.00 O ATOM 1639 OD2 ASP A 102 10.845 -9.321 11.931 1.00 0.00 O ATOM 0 H ASP A 102 9.343 -6.947 11.193 1.00 0.00 H new ATOM 0 HA ASP A 102 8.425 -7.066 13.812 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.255 -7.006 12.693 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.872 -7.416 14.354 1.00 0.00 H new ATOM 1644 N GLU A 103 9.719 -4.207 13.040 1.00 0.00 N ATOM 1645 CA GLU A 103 9.982 -2.849 13.504 1.00 0.00 C ATOM 1646 C GLU A 103 8.961 -1.877 12.918 1.00 0.00 C ATOM 1647 O GLU A 103 8.483 -0.973 13.605 1.00 0.00 O ATOM 1648 CB GLU A 103 11.403 -2.427 13.115 1.00 0.00 C ATOM 1649 CG GLU A 103 11.922 -1.220 13.883 1.00 0.00 C ATOM 1650 CD GLU A 103 11.242 0.073 13.479 1.00 0.00 C ATOM 1651 OE1 GLU A 103 11.465 0.529 12.338 1.00 0.00 O ATOM 1652 OE2 GLU A 103 10.489 0.631 14.304 1.00 0.00 O ATOM 0 H GLU A 103 9.730 -4.313 12.026 1.00 0.00 H new ATOM 0 HA GLU A 103 9.893 -2.828 14.590 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.078 -3.267 13.279 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.426 -2.203 12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.775 -1.384 14.950 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.996 -1.126 13.720 1.00 0.00 H new ATOM 1659 N VAL A 104 8.627 -2.074 11.645 1.00 0.00 N ATOM 1660 CA VAL A 104 7.662 -1.219 10.961 1.00 0.00 C ATOM 1661 C VAL A 104 6.288 -1.302 11.620 1.00 0.00 C ATOM 1662 O VAL A 104 5.896 -2.350 12.134 1.00 0.00 O ATOM 1663 CB VAL A 104 7.534 -1.602 9.472 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.565 -0.673 8.753 1.00 0.00 C ATOM 1665 CG2 VAL A 104 8.896 -1.582 8.799 1.00 0.00 C ATOM 0 H VAL A 104 9.012 -2.820 11.066 1.00 0.00 H new ATOM 0 HA VAL A 104 8.033 -0.197 11.035 1.00 0.00 H new ATOM 0 HB VAL A 104 7.135 -2.615 9.414 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.492 -0.964 7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.582 -0.742 9.218 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.927 0.353 8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.787 -1.855 7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.323 -0.582 8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.556 -2.295 9.292 1.00 0.00 H new ATOM 1675 N ALA A 105 5.562 -0.187 11.604 1.00 0.00 N ATOM 1676 CA ALA A 105 4.230 -0.128 12.195 1.00 0.00 C ATOM 1677 C ALA A 105 3.237 -0.965 11.395 1.00 0.00 C ATOM 1678 O ALA A 105 2.906 -0.631 10.256 1.00 0.00 O ATOM 1679 CB ALA A 105 3.757 1.315 12.281 1.00 0.00 C ATOM 0 H ALA A 105 5.876 0.689 11.187 1.00 0.00 H new ATOM 0 HA ALA A 105 4.286 -0.542 13.202 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.761 1.346 12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.447 1.888 12.900 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.723 1.747 11.281 1.00 0.00 H new ATOM 1685 N GLY A 106 2.766 -2.052 11.998 1.00 0.00 N ATOM 1686 CA GLY A 106 1.813 -2.920 11.330 1.00 0.00 C ATOM 1687 C GLY A 106 0.483 -2.237 11.079 1.00 0.00 C ATOM 1688 O GLY A 106 -0.208 -2.547 10.109 1.00 0.00 O ATOM 0 H GLY A 106 3.028 -2.348 12.939 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.232 -3.252 10.380 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.651 -3.811 11.936 1.00 0.00 H new ATOM 1692 N ASP A 107 0.123 -1.309 11.959 1.00 0.00 N ATOM 1693 CA ASP A 107 -1.136 -0.581 11.836 1.00 0.00 C ATOM 1694 C ASP A 107 -1.193 0.223 10.540 1.00 0.00 C ATOM 1695 O ASP A 107 -2.229 0.271 9.877 1.00 0.00 O ATOM 1696 CB ASP A 107 -1.326 0.350 13.036 1.00 0.00 C ATOM 1697 CG ASP A 107 -2.558 1.223 12.902 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -3.657 0.757 13.266 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -2.422 2.372 12.432 1.00 0.00 O ATOM 0 H ASP A 107 0.686 -1.042 12.767 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.943 -1.313 11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.404 -0.246 13.946 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.445 0.983 13.144 1.00 0.00 H new ATOM 1704 N ILE A 108 -0.077 0.853 10.184 1.00 0.00 N ATOM 1705 CA ILE A 108 -0.015 1.662 8.970 1.00 0.00 C ATOM 1706 C ILE A 108 0.013 0.792 7.715 1.00 0.00 C ATOM 1707 O ILE A 108 -0.753 1.020 6.778 1.00 0.00 O ATOM 1708 CB ILE A 108 1.221 2.584 8.970 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.199 3.501 10.197 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.271 3.403 7.686 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.458 4.327 10.361 1.00 0.00 C ATOM 0 H ILE A 108 0.793 0.820 10.716 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.918 2.273 8.959 1.00 0.00 H new ATOM 0 HB ILE A 108 2.118 1.967 9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.342 4.171 10.124 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.054 2.894 11.091 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.149 4.049 7.700 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.328 2.732 6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.372 4.014 7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.370 4.951 11.250 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.317 3.664 10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.594 4.961 9.485 1.00 0.00 H new ATOM 1723 N PHE A 109 0.893 -0.204 7.700 1.00 0.00 N ATOM 1724 CA PHE A 109 1.010 -1.098 6.552 1.00 0.00 C ATOM 1725 C PHE A 109 -0.270 -1.901 6.349 1.00 0.00 C ATOM 1726 O PHE A 109 -0.595 -2.282 5.227 1.00 0.00 O ATOM 1727 CB PHE A 109 2.205 -2.045 6.702 1.00 0.00 C ATOM 1728 CG PHE A 109 2.373 -2.981 5.533 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.394 -2.496 4.232 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.499 -4.347 5.735 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.539 -3.353 3.156 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.645 -5.209 4.663 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.664 -4.712 3.373 1.00 0.00 C ATOM 0 H PHE A 109 1.533 -0.412 8.466 1.00 0.00 H new ATOM 0 HA PHE A 109 1.174 -0.475 5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.114 -1.456 6.821 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.084 -2.631 7.613 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.296 -1.435 4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.483 -4.742 6.740 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.554 -2.961 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.744 -6.271 4.834 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.776 -5.385 2.536 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.993 -2.153 7.440 1.00 0.00 N ATOM 1744 CA ASP A 110 -2.235 -2.921 7.380 1.00 0.00 C ATOM 1745 C ASP A 110 -3.142 -2.408 6.267 1.00 0.00 C ATOM 1746 O ASP A 110 -3.919 -3.167 5.688 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.968 -2.850 8.722 1.00 0.00 C ATOM 1748 CG ASP A 110 -4.291 -3.590 8.697 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.285 -4.824 8.887 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -5.334 -2.934 8.490 1.00 0.00 O ATOM 0 H ASP A 110 -0.739 -1.836 8.376 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.979 -3.959 7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.334 -3.271 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.143 -1.806 8.983 1.00 0.00 H new ATOM 1755 N MET A 111 -3.038 -1.116 5.971 1.00 0.00 N ATOM 1756 CA MET A 111 -3.837 -0.515 4.911 1.00 0.00 C ATOM 1757 C MET A 111 -3.332 -0.988 3.552 1.00 0.00 C ATOM 1758 O MET A 111 -4.100 -1.466 2.717 1.00 0.00 O ATOM 1759 CB MET A 111 -3.765 1.010 4.992 1.00 0.00 C ATOM 1760 CG MET A 111 -4.552 1.716 3.899 1.00 0.00 C ATOM 1761 SD MET A 111 -4.206 3.484 3.825 1.00 0.00 S ATOM 1762 CE MET A 111 -2.466 3.471 3.398 1.00 0.00 C ATOM 0 H MET A 111 -2.411 -0.468 6.448 1.00 0.00 H new ATOM 0 HA MET A 111 -4.875 -0.823 5.035 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.140 1.332 5.964 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.721 1.320 4.934 1.00 0.00 H new ATOM 0 HG2 MET A 111 -4.316 1.263 2.936 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.618 1.565 4.069 1.00 0.00 H new ATOM 0 HE1 MET A 111 -2.292 4.147 2.561 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.878 3.797 4.256 1.00 0.00 H new ATOM 0 HE3 MET A 111 -2.168 2.461 3.117 1.00 0.00 H new ATOM 1772 N LEU A 112 -2.025 -0.860 3.353 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.388 -1.269 2.109 1.00 0.00 C ATOM 1774 C LEU A 112 -1.464 -2.782 1.934 1.00 0.00 C ATOM 1775 O LEU A 112 -1.392 -3.293 0.821 1.00 0.00 O ATOM 1776 CB LEU A 112 0.074 -0.817 2.090 1.00 0.00 C ATOM 1777 CG LEU A 112 0.294 0.687 2.274 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.780 1.007 2.318 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.387 1.468 1.159 1.00 0.00 C ATOM 0 H LEU A 112 -1.382 -0.473 4.044 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.920 -0.797 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.611 -1.346 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.519 -1.120 1.142 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.151 0.985 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.917 2.080 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.242 0.478 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.248 0.693 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.219 2.535 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.028 1.166 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.458 1.264 1.173 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.618 -3.489 3.049 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.697 -4.945 3.037 1.00 0.00 C ATOM 1793 C LEU A 113 -2.731 -5.428 2.027 1.00 0.00 C ATOM 1794 O LEU A 113 -2.626 -6.536 1.498 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.035 -5.467 4.437 1.00 0.00 C ATOM 1796 CG LEU A 113 -2.089 -6.991 4.573 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.768 -7.619 4.154 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.433 -7.382 6.002 1.00 0.00 C ATOM 0 H LEU A 113 -1.691 -3.074 3.978 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.725 -5.337 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.295 -5.082 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.000 -5.058 4.736 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.869 -7.366 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.830 -8.702 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.559 -7.367 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.033 -7.239 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.468 -8.468 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.673 -6.991 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.405 -6.967 6.269 1.00 0.00 H new ATOM 1810 N THR A 114 -3.732 -4.593 1.765 1.00 0.00 N ATOM 1811 CA THR A 114 -4.788 -4.930 0.816 1.00 0.00 C ATOM 1812 C THR A 114 -4.237 -5.148 -0.596 1.00 0.00 C ATOM 1813 O THR A 114 -4.994 -5.437 -1.524 1.00 0.00 O ATOM 1814 CB THR A 114 -5.862 -3.829 0.766 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.277 -2.592 0.342 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.512 -3.646 2.129 1.00 0.00 C ATOM 0 H THR A 114 -3.834 -3.675 2.198 1.00 0.00 H new ATOM 0 HA THR A 114 -5.234 -5.860 1.168 1.00 0.00 H new ATOM 0 HB THR A 114 -6.628 -4.132 0.052 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.855 -2.150 1.108 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.268 -2.863 2.069 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.981 -4.580 2.437 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.753 -3.363 2.859 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.921 -5.014 -0.755 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.286 -5.199 -2.057 1.00 0.00 C ATOM 1826 C PHE A 115 -2.432 -6.640 -2.539 1.00 0.00 C ATOM 1827 O PHE A 115 -2.448 -6.900 -3.743 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.798 -4.829 -1.995 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.519 -3.350 -2.085 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.225 -2.545 -2.969 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.461 -2.766 -1.292 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.962 -1.193 -3.058 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.724 -1.413 -1.378 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.014 -0.625 -2.261 1.00 0.00 C ATOM 0 H PHE A 115 -2.276 -4.779 -0.000 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.789 -4.539 -2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.380 -5.209 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.276 -5.335 -2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.989 -2.982 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.023 -3.377 -0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.519 -0.579 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.486 -0.971 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.221 0.433 -2.329 1.00 0.00 H new ATOM 1844 N THR A 116 -2.536 -7.573 -1.597 1.00 0.00 N ATOM 1845 CA THR A 116 -2.675 -8.985 -1.940 1.00 0.00 C ATOM 1846 C THR A 116 -3.652 -9.699 -1.011 1.00 0.00 C ATOM 1847 O THR A 116 -4.355 -10.620 -1.429 1.00 0.00 O ATOM 1848 CB THR A 116 -1.317 -9.710 -1.889 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.714 -9.533 -0.601 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.382 -9.186 -2.969 1.00 0.00 C ATOM 0 H THR A 116 -2.527 -7.379 -0.596 1.00 0.00 H new ATOM 0 HA THR A 116 -3.065 -9.018 -2.957 1.00 0.00 H new ATOM 0 HB THR A 116 -1.491 -10.772 -2.065 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.148 -9.998 -0.577 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.570 -9.713 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.830 -9.350 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.216 -8.119 -2.820 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.696 -9.272 0.246 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.588 -9.882 1.227 1.00 0.00 C ATOM 1860 C ASP A 117 -6.034 -9.456 0.988 1.00 0.00 C ATOM 1861 O ASP A 117 -6.478 -8.418 1.480 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.154 -9.508 2.646 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.815 -10.374 3.700 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.353 -11.517 3.904 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.792 -9.911 4.323 1.00 0.00 O ATOM 0 H ASP A 117 -3.126 -8.508 0.610 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.527 -10.964 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.071 -9.603 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.398 -8.462 2.834 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.763 -10.269 0.226 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.160 -9.984 -0.090 1.00 0.00 C ATOM 1872 C PHE A 118 -9.005 -9.919 1.180 1.00 0.00 C ATOM 1873 O PHE A 118 -10.036 -9.247 1.217 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.714 -11.054 -1.037 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.141 -10.821 -1.447 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.444 -9.959 -2.488 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.178 -11.470 -0.794 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.755 -9.745 -2.869 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.491 -11.259 -1.171 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.780 -10.396 -2.211 1.00 0.00 C ATOM 0 H PHE A 118 -6.408 -11.132 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.208 -9.012 -0.581 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.091 -11.093 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.639 -12.028 -0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.647 -9.448 -3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.957 -12.147 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.978 -9.069 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.290 -11.768 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.805 -10.231 -2.509 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.561 -10.621 2.218 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.278 -10.643 3.489 1.00 0.00 C ATOM 1892 C LEU A 119 -9.259 -9.268 4.147 1.00 0.00 C ATOM 1893 O LEU A 119 -10.245 -8.846 4.752 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.663 -11.682 4.435 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.999 -13.145 4.122 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.502 -13.372 4.161 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.434 -13.552 2.769 1.00 0.00 C ATOM 0 H LEU A 119 -7.709 -11.182 2.204 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.313 -10.917 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.579 -11.565 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.992 -11.462 5.451 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.537 -13.769 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.718 -14.416 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.881 -13.129 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.986 -12.734 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.685 -14.594 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.862 -12.920 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.350 -13.435 2.777 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.131 -8.575 4.026 1.00 0.00 N ATOM 1910 CA ALA A 120 -7.983 -7.248 4.611 1.00 0.00 C ATOM 1911 C ALA A 120 -8.730 -6.204 3.791 1.00 0.00 C ATOM 1912 O ALA A 120 -9.239 -5.224 4.333 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.510 -6.884 4.722 1.00 0.00 C ATOM 0 H ALA A 120 -7.307 -8.911 3.528 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.417 -7.265 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.413 -5.891 5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.002 -7.611 5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.058 -6.889 3.730 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.791 -6.422 2.482 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.475 -5.502 1.579 1.00 0.00 C ATOM 1921 C PHE A 121 -10.970 -5.442 1.894 1.00 0.00 C ATOM 1922 O PHE A 121 -11.529 -4.365 2.124 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.253 -5.943 0.128 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.541 -4.881 -0.899 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.087 -3.583 -0.728 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.261 -5.189 -2.043 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.346 -2.612 -1.677 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.521 -4.223 -2.996 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.063 -2.932 -2.813 1.00 0.00 C ATOM 0 H PHE A 121 -8.374 -7.230 2.021 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.061 -4.503 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.219 -6.269 0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.884 -6.808 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.524 -3.327 0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.623 -6.196 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.988 -1.604 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.082 -4.477 -3.883 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.265 -2.175 -3.557 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.608 -6.608 1.912 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.036 -6.696 2.198 1.00 0.00 C ATOM 1941 C LYS A 122 -13.344 -6.186 3.602 1.00 0.00 C ATOM 1942 O LYS A 122 -14.215 -5.337 3.786 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.516 -8.142 2.053 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.008 -8.314 2.285 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.441 -9.757 2.085 1.00 0.00 C ATOM 1946 CE LYS A 122 -16.933 -9.928 2.316 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.371 -11.335 2.106 1.00 0.00 N ATOM 0 H LYS A 122 -11.158 -7.506 1.732 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.564 -6.069 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.269 -8.500 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.972 -8.769 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.259 -7.995 3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.560 -7.669 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.189 -10.077 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.890 -10.402 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.181 -9.619 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.482 -9.272 1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.361 -11.347 1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.770 -11.782 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.289 -11.861 2.999 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.619 -6.709 4.587 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.816 -6.310 5.975 1.00 0.00 C ATOM 1963 C GLU A 123 -12.616 -4.808 6.144 1.00 0.00 C ATOM 1964 O GLU A 123 -13.228 -4.183 7.012 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.853 -7.071 6.889 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.069 -6.791 8.368 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.096 -7.548 9.251 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.382 -8.718 9.583 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -10.049 -6.971 9.612 1.00 0.00 O ATOM 0 H GLU A 123 -11.891 -7.409 4.449 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.841 -6.555 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.964 -8.140 6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.829 -6.808 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.964 -5.722 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.089 -7.063 8.641 1.00 0.00 H new ATOM 1976 N MET A 124 -11.755 -4.231 5.311 1.00 0.00 N ATOM 1977 CA MET A 124 -11.480 -2.802 5.371 1.00 0.00 C ATOM 1978 C MET A 124 -12.737 -2.000 5.056 1.00 0.00 C ATOM 1979 O MET A 124 -13.077 -1.057 5.771 1.00 0.00 O ATOM 1980 CB MET A 124 -10.364 -2.426 4.396 1.00 0.00 C ATOM 1981 CG MET A 124 -9.961 -0.962 4.469 1.00 0.00 C ATOM 1982 SD MET A 124 -8.617 -0.552 3.339 1.00 0.00 S ATOM 1983 CE MET A 124 -9.373 -0.934 1.761 1.00 0.00 C ATOM 0 H MET A 124 -11.237 -4.731 4.588 1.00 0.00 H new ATOM 0 HA MET A 124 -11.156 -2.563 6.384 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.491 -3.045 4.600 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.687 -2.655 3.381 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.826 -0.340 4.239 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.658 -0.723 5.489 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.773 -0.507 0.957 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.429 -2.015 1.637 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.378 -0.513 1.727 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.423 -2.377 3.980 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.647 -1.687 3.581 1.00 0.00 C ATOM 1995 C PHE A 125 -15.741 -1.852 4.634 1.00 0.00 C ATOM 1996 O PHE A 125 -16.460 -0.902 4.944 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.141 -2.205 2.230 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.242 -1.844 1.082 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.020 -0.517 0.750 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.617 -2.831 0.337 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.193 -0.181 -0.305 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.791 -2.502 -0.719 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.577 -1.175 -1.040 1.00 0.00 C ATOM 0 H PHE A 125 -13.155 -3.151 3.372 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.415 -0.626 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.236 -3.290 2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.137 -1.806 2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.499 0.264 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.778 -3.870 0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.029 0.857 -0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.312 -3.281 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.929 -0.916 -1.864 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.864 -3.060 5.178 1.00 0.00 N ATOM 2014 CA LEU A 126 -16.872 -3.339 6.197 1.00 0.00 C ATOM 2015 C LEU A 126 -16.703 -2.410 7.394 1.00 0.00 C ATOM 2016 O LEU A 126 -17.672 -1.825 7.881 1.00 0.00 O ATOM 2017 CB LEU A 126 -16.787 -4.800 6.649 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.627 -5.787 5.833 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.197 -5.791 4.373 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.519 -7.185 6.421 1.00 0.00 C ATOM 0 H LEU A 126 -15.280 -3.859 4.931 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.854 -3.163 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -15.744 -5.116 6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.098 -4.859 7.692 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.668 -5.467 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.809 -6.500 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.325 -4.793 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.149 -6.083 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.121 -7.876 5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.478 -7.507 6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -17.881 -7.176 7.449 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.467 -2.279 7.865 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.167 -1.414 8.999 1.00 0.00 C ATOM 2034 C ASP A 127 -15.458 0.042 8.648 1.00 0.00 C ATOM 2035 O ASP A 127 -15.992 0.795 9.464 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.704 -1.572 9.416 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.333 -0.683 10.587 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.599 -1.080 11.741 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -12.779 0.410 10.350 1.00 0.00 O ATOM 0 H ASP A 127 -14.656 -2.762 7.478 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.803 -1.706 9.834 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.516 -2.613 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.061 -1.337 8.568 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.101 0.429 7.426 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.325 1.791 6.955 1.00 0.00 C ATOM 2046 C TYR A 128 -16.803 2.154 7.048 1.00 0.00 C ATOM 2047 O TYR A 128 -17.155 3.291 7.362 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.839 1.937 5.510 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.022 3.325 4.940 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.161 4.359 5.287 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.054 3.600 4.052 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.324 5.628 4.764 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.223 4.866 3.525 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.357 5.876 3.884 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.522 7.138 3.360 1.00 0.00 O ATOM 0 H TYR A 128 -14.655 -0.184 6.744 1.00 0.00 H new ATOM 0 HA TYR A 128 -14.759 2.473 7.590 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.783 1.672 5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.374 1.224 4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.352 4.168 5.976 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.735 2.811 3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.646 6.421 5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.030 5.063 2.835 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.294 7.143 2.757 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.663 1.177 6.774 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.104 1.387 6.835 1.00 0.00 C ATOM 2067 C ARG A 129 -19.561 1.539 8.282 1.00 0.00 C ATOM 2068 O ARG A 129 -20.463 2.324 8.580 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.840 0.221 6.174 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.352 0.383 6.163 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.040 -0.854 5.606 1.00 0.00 C ATOM 2072 NE ARG A 129 -21.589 -1.173 4.253 1.00 0.00 N ATOM 2073 CZ ARG A 129 -21.726 -2.372 3.693 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -22.299 -3.362 4.366 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -21.291 -2.582 2.458 1.00 0.00 N ATOM 0 H ARG A 129 -17.386 0.232 6.508 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.340 2.304 6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.487 0.114 5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.586 -0.701 6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.706 0.573 7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.622 1.252 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.845 -1.703 6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -23.119 -0.697 5.600 1.00 0.00 H new ATOM 0 HE ARG A 129 -21.144 -0.435 3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.636 -3.205 5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -22.402 -4.280 3.933 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -20.851 -1.824 1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -21.397 -3.502 2.030 1.00 0.00 H new ATOM 2089 N ALA A 130 -18.930 0.783 9.177 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.264 0.832 10.595 1.00 0.00 C ATOM 2091 C ALA A 130 -19.037 2.229 11.159 1.00 0.00 C ATOM 2092 O ALA A 130 -19.761 2.676 12.049 1.00 0.00 O ATOM 2093 CB ALA A 130 -18.446 -0.192 11.367 1.00 0.00 C ATOM 0 H ALA A 130 -18.183 0.129 8.943 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.321 0.590 10.705 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -18.706 -0.143 12.424 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -18.660 -1.191 10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.384 0.023 11.245 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.025 2.913 10.635 1.00 0.00 N ATOM 2100 CA GLU A 131 -17.704 4.264 11.081 1.00 0.00 C ATOM 2101 C GLU A 131 -18.798 5.240 10.663 1.00 0.00 C ATOM 2102 O GLU A 131 -19.080 6.213 11.363 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.361 4.710 10.499 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.204 3.789 10.856 1.00 0.00 C ATOM 2105 CD GLU A 131 -13.887 4.256 10.268 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -13.630 3.963 9.081 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -13.111 4.912 10.994 1.00 0.00 O ATOM 0 H GLU A 131 -17.414 2.554 9.902 1.00 0.00 H new ATOM 0 HA GLU A 131 -17.636 4.258 12.169 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.446 4.768 9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.137 5.716 10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.113 3.729 11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.421 2.783 10.498 1.00 0.00 H new