USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 959 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 99 TYR OH : rot 180:sc= 0.542 USER MOD Set 1.2: A 101 LYS NZ :NH3+ 150:sc= 0.585 (180deg=-0.0134) USER MOD Set 2.1: A 52 CYS SG : rot 170:sc= -0.0182 USER MOD Set 2.2: A 54 TYR OH : rot 46:sc= 0.204 USER MOD Set 2.3: A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -32:sc= 0.237 USER MOD Single : A 17 THR OG1 : rot 73:sc= 1.12 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.128 K(o=0.13,f=-2.5!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot 19:sc= 0.0451 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0.13 USER MOD Single : A 45 ASN : amide:sc= -0.143 K(o=-0.14,f=-3.5!) USER MOD Single : A 49 CYS SG : rot 24:sc= 1.38 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 177:sc= 0 (180deg=-0.0321) USER MOD Single : A 61 GLN : amide:sc= -0.0255 K(o=-0.026,f=-0.95) USER MOD Single : A 64 CYS SG : rot -149:sc= -8.8! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot -91:sc= 1.46 USER MOD Single : A 75 GLN : amide:sc= 0.12 X(o=0.12,f=-0.25) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 84 GLN : amide:sc= -0.0301 X(o=-0.03,f=-0.03) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.311 USER MOD Single : A 105 CYS SG : rot 19:sc= -0.0483 USER MOD Single : A 108 CYS SG : rot -167:sc= -0.0521 USER MOD Single : A 116 LYS NZ :NH3+ -116:sc= 0.395 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.185 K(o=-0.19,f=-10!) USER MOD Single : A 124 MET CE :methyl -111:sc=-0.000838 (180deg=-0.0941) USER MOD Single : A 128 ASN : amide:sc= 0.669 K(o=0.67,f=-0.48) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 191 N THR A 13 21.834 20.399 2.094 1.00 0.00 N ATOM 192 CA THR A 13 20.731 19.591 2.671 1.00 0.00 C ATOM 193 C THR A 13 19.540 20.411 3.164 1.00 0.00 C ATOM 194 O THR A 13 18.399 20.072 2.852 1.00 0.00 O ATOM 195 CB THR A 13 21.241 18.720 3.830 1.00 0.00 C ATOM 196 OG1 THR A 13 21.970 19.520 4.742 1.00 0.00 O ATOM 197 CG2 THR A 13 22.149 17.593 3.340 1.00 0.00 C ATOM 0 HA THR A 13 20.376 18.974 1.846 1.00 0.00 H new ATOM 0 HB THR A 13 20.369 18.278 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.413 20.247 4.257 1.00 0.00 H new ATOM 0 HG21 THR A 13 22.487 17.002 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.596 16.954 2.651 1.00 0.00 H new ATOM 0 HG23 THR A 13 23.012 18.018 2.828 1.00 0.00 H new ATOM 205 N PHE A 14 19.785 21.501 3.892 1.00 0.00 N ATOM 206 CA PHE A 14 18.737 22.350 4.471 1.00 0.00 C ATOM 207 C PHE A 14 17.888 23.048 3.399 1.00 0.00 C ATOM 208 O PHE A 14 16.666 23.107 3.507 1.00 0.00 O ATOM 209 CB PHE A 14 19.397 23.382 5.393 1.00 0.00 C ATOM 210 CG PHE A 14 18.503 23.837 6.534 1.00 0.00 C ATOM 211 CD1 PHE A 14 17.479 24.780 6.309 1.00 0.00 C ATOM 212 CD2 PHE A 14 18.684 23.302 7.823 1.00 0.00 C ATOM 213 CE1 PHE A 14 16.649 25.188 7.368 1.00 0.00 C ATOM 214 CE2 PHE A 14 17.852 23.710 8.882 1.00 0.00 C ATOM 215 CZ PHE A 14 16.835 24.655 8.655 1.00 0.00 C ATOM 0 H PHE A 14 20.729 21.826 4.100 1.00 0.00 H new ATOM 0 HA PHE A 14 18.055 21.716 5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 14 20.311 22.956 5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 14 19.689 24.250 4.803 1.00 0.00 H new ATOM 0 HD1 PHE A 14 17.332 25.190 5.321 1.00 0.00 H new ATOM 0 HD2 PHE A 14 19.464 22.576 8.000 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.867 25.912 7.192 1.00 0.00 H new ATOM 0 HE2 PHE A 14 17.994 23.297 9.870 1.00 0.00 H new ATOM 0 HZ PHE A 14 16.198 24.970 9.468 1.00 0.00 H new ATOM 225 N LEU A 15 18.542 23.547 2.343 1.00 0.00 N ATOM 226 CA LEU A 15 17.896 24.120 1.161 1.00 0.00 C ATOM 227 C LEU A 15 17.259 23.025 0.294 1.00 0.00 C ATOM 228 O LEU A 15 16.139 23.188 -0.171 1.00 0.00 O ATOM 229 CB LEU A 15 18.942 24.947 0.389 1.00 0.00 C ATOM 230 CG LEU A 15 18.435 25.536 -0.942 1.00 0.00 C ATOM 231 CD1 LEU A 15 17.251 26.496 -0.749 1.00 0.00 C ATOM 232 CD2 LEU A 15 19.585 26.268 -1.648 1.00 0.00 C ATOM 0 H LEU A 15 19.560 23.563 2.288 1.00 0.00 H new ATOM 0 HA LEU A 15 17.080 24.777 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 15 19.284 25.763 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.808 24.316 0.186 1.00 0.00 H new ATOM 0 HG LEU A 15 18.080 24.706 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.934 26.882 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.423 25.963 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.555 27.325 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.227 26.685 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.950 27.073 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.395 25.567 -1.846 1.00 0.00 H new ATOM 244 N ASP A 16 17.917 21.878 0.129 1.00 0.00 N ATOM 245 CA ASP A 16 17.410 20.738 -0.656 1.00 0.00 C ATOM 246 C ASP A 16 16.111 20.153 -0.072 1.00 0.00 C ATOM 247 O ASP A 16 15.273 19.608 -0.796 1.00 0.00 O ATOM 248 CB ASP A 16 18.501 19.666 -0.716 1.00 0.00 C ATOM 249 CG ASP A 16 18.163 18.577 -1.745 1.00 0.00 C ATOM 250 OD1 ASP A 16 18.385 18.808 -2.956 1.00 0.00 O ATOM 251 OD2 ASP A 16 17.696 17.491 -1.328 1.00 0.00 O ATOM 0 H ASP A 16 18.834 21.706 0.542 1.00 0.00 H new ATOM 0 HA ASP A 16 17.165 21.090 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.454 20.129 -0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 16 18.622 19.213 0.268 1.00 0.00 H new ATOM 256 N THR A 17 15.922 20.354 1.237 1.00 0.00 N ATOM 257 CA THR A 17 14.688 20.052 1.981 1.00 0.00 C ATOM 258 C THR A 17 13.540 20.974 1.561 1.00 0.00 C ATOM 259 O THR A 17 12.382 20.603 1.706 1.00 0.00 O ATOM 260 CB THR A 17 14.953 20.112 3.493 1.00 0.00 C ATOM 261 OG1 THR A 17 15.942 19.157 3.818 1.00 0.00 O ATOM 262 CG2 THR A 17 13.730 19.771 4.348 1.00 0.00 C ATOM 0 H THR A 17 16.651 20.747 1.833 1.00 0.00 H new ATOM 0 HA THR A 17 14.375 19.037 1.736 1.00 0.00 H new ATOM 0 HB THR A 17 15.250 21.139 3.707 1.00 0.00 H new ATOM 0 HG1 THR A 17 16.815 19.468 3.499 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.995 19.835 5.403 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.927 20.476 4.132 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.396 18.759 4.118 1.00 0.00 H new ATOM 270 N ILE A 18 13.829 22.145 0.985 1.00 0.00 N ATOM 271 CA ILE A 18 12.832 23.078 0.434 1.00 0.00 C ATOM 272 C ILE A 18 12.498 22.722 -1.013 1.00 0.00 C ATOM 273 O ILE A 18 11.335 22.781 -1.404 1.00 0.00 O ATOM 274 CB ILE A 18 13.321 24.542 0.544 1.00 0.00 C ATOM 275 CG1 ILE A 18 14.009 24.848 1.895 1.00 0.00 C ATOM 276 CG2 ILE A 18 12.154 25.513 0.278 1.00 0.00 C ATOM 277 CD1 ILE A 18 13.164 24.593 3.150 1.00 0.00 C ATOM 0 H ILE A 18 14.786 22.482 0.885 1.00 0.00 H new ATOM 0 HA ILE A 18 11.921 22.985 1.025 1.00 0.00 H new ATOM 0 HB ILE A 18 14.084 24.686 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.916 24.247 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.318 25.893 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.510 26.540 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.760 25.343 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.366 25.344 1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.746 24.841 4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.269 25.214 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 18 12.876 23.542 3.187 1.00 0.00 H new ATOM 289 N ILE A 19 13.490 22.287 -1.795 1.00 0.00 N ATOM 290 CA ILE A 19 13.278 21.806 -3.168 1.00 0.00 C ATOM 291 C ILE A 19 12.294 20.625 -3.176 1.00 0.00 C ATOM 292 O ILE A 19 11.295 20.655 -3.896 1.00 0.00 O ATOM 293 CB ILE A 19 14.634 21.505 -3.857 1.00 0.00 C ATOM 294 CG1 ILE A 19 15.399 22.777 -4.296 1.00 0.00 C ATOM 295 CG2 ILE A 19 14.418 20.690 -5.142 1.00 0.00 C ATOM 296 CD1 ILE A 19 15.934 23.708 -3.210 1.00 0.00 C ATOM 0 H ILE A 19 14.465 22.257 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 19 12.811 22.589 -3.765 1.00 0.00 H new ATOM 0 HB ILE A 19 15.212 20.966 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.243 22.463 -4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.737 23.359 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.381 20.489 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.929 19.747 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.790 21.256 -5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.445 24.552 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 19 15.105 24.074 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.634 23.164 -2.577 1.00 0.00 H new ATOM 308 N ARG A 20 12.512 19.612 -2.330 1.00 0.00 N ATOM 309 CA ARG A 20 11.685 18.395 -2.332 1.00 0.00 C ATOM 310 C ARG A 20 10.228 18.619 -1.876 1.00 0.00 C ATOM 311 O ARG A 20 9.371 17.778 -2.148 1.00 0.00 O ATOM 312 CB ARG A 20 12.372 17.292 -1.508 1.00 0.00 C ATOM 313 CG ARG A 20 12.435 17.619 -0.008 1.00 0.00 C ATOM 314 CD ARG A 20 13.190 16.567 0.810 1.00 0.00 C ATOM 315 NE ARG A 20 14.640 16.578 0.537 1.00 0.00 N ATOM 316 CZ ARG A 20 15.555 15.860 1.180 1.00 0.00 C ATOM 317 NH1 ARG A 20 15.243 15.053 2.173 1.00 0.00 N ATOM 318 NH2 ARG A 20 16.816 15.942 0.823 1.00 0.00 N ATOM 0 H ARG A 20 13.256 19.609 -1.632 1.00 0.00 H new ATOM 0 HA ARG A 20 11.605 18.076 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.836 16.353 -1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.384 17.141 -1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.917 18.588 0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.420 17.711 0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.021 16.746 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.788 15.579 0.586 1.00 0.00 H new ATOM 0 HE ARG A 20 14.969 17.190 -0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.272 14.964 2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.973 14.517 2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.090 16.555 0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.522 15.393 1.314 1.00 0.00 H new ATOM 332 N LYS A 21 9.920 19.743 -1.213 1.00 0.00 N ATOM 333 CA LYS A 21 8.544 20.155 -0.888 1.00 0.00 C ATOM 334 C LYS A 21 7.764 20.593 -2.138 1.00 0.00 C ATOM 335 O LYS A 21 6.565 20.318 -2.235 1.00 0.00 O ATOM 336 CB LYS A 21 8.604 21.301 0.138 1.00 0.00 C ATOM 337 CG LYS A 21 9.050 20.811 1.521 1.00 0.00 C ATOM 338 CD LYS A 21 9.350 21.983 2.465 1.00 0.00 C ATOM 339 CE LYS A 21 8.070 22.757 2.811 1.00 0.00 C ATOM 340 NZ LYS A 21 8.297 23.777 3.873 1.00 0.00 N ATOM 0 H LYS A 21 10.627 20.400 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 21 8.013 19.300 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.294 22.068 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.622 21.768 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.271 20.184 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.939 20.189 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.810 21.609 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.070 22.655 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.691 23.247 1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.302 22.057 3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.406 24.274 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.634 23.308 4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.010 24.462 3.550 1.00 0.00 H new ATOM 354 N PHE A 22 8.437 21.252 -3.093 1.00 0.00 N ATOM 355 CA PHE A 22 7.829 21.703 -4.350 1.00 0.00 C ATOM 356 C PHE A 22 7.994 20.704 -5.513 1.00 0.00 C ATOM 357 O PHE A 22 7.164 20.707 -6.425 1.00 0.00 O ATOM 358 CB PHE A 22 8.290 23.138 -4.669 1.00 0.00 C ATOM 359 CG PHE A 22 9.721 23.389 -5.115 1.00 0.00 C ATOM 360 CD1 PHE A 22 10.149 22.997 -6.399 1.00 0.00 C ATOM 361 CD2 PHE A 22 10.574 24.170 -4.308 1.00 0.00 C ATOM 362 CE1 PHE A 22 11.420 23.375 -6.869 1.00 0.00 C ATOM 363 CE2 PHE A 22 11.826 24.585 -4.797 1.00 0.00 C ATOM 364 CZ PHE A 22 12.251 24.180 -6.075 1.00 0.00 C ATOM 0 H PHE A 22 9.426 21.488 -3.012 1.00 0.00 H new ATOM 0 HA PHE A 22 6.748 21.734 -4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.634 23.525 -5.449 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.116 23.741 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.499 22.404 -7.025 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.265 24.450 -3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.756 23.046 -7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 22 12.461 25.215 -4.191 1.00 0.00 H new ATOM 0 HZ PHE A 22 13.217 24.489 -6.445 1.00 0.00 H new ATOM 374 N GLU A 23 9.005 19.825 -5.482 1.00 0.00 N ATOM 375 CA GLU A 23 9.176 18.744 -6.469 1.00 0.00 C ATOM 376 C GLU A 23 8.249 17.531 -6.238 1.00 0.00 C ATOM 377 O GLU A 23 7.730 17.303 -5.141 1.00 0.00 O ATOM 378 CB GLU A 23 10.641 18.271 -6.539 1.00 0.00 C ATOM 379 CG GLU A 23 11.596 19.361 -7.034 1.00 0.00 C ATOM 380 CD GLU A 23 12.882 18.779 -7.648 1.00 0.00 C ATOM 381 OE1 GLU A 23 13.519 17.888 -7.036 1.00 0.00 O ATOM 382 OE2 GLU A 23 13.263 19.211 -8.763 1.00 0.00 O ATOM 0 H GLU A 23 9.733 19.842 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 23 8.887 19.186 -7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.958 17.939 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.708 17.408 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.088 19.976 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.857 20.016 -6.203 1.00 0.00 H new ATOM 424 N ARG A 27 8.886 11.275 -3.595 1.00 0.00 N ATOM 425 CA ARG A 27 7.680 10.722 -2.963 1.00 0.00 C ATOM 426 C ARG A 27 7.797 9.230 -2.610 1.00 0.00 C ATOM 427 O ARG A 27 8.694 8.515 -3.057 1.00 0.00 O ATOM 428 CB ARG A 27 6.453 11.010 -3.847 1.00 0.00 C ATOM 429 CG ARG A 27 6.305 12.483 -4.275 1.00 0.00 C ATOM 430 CD ARG A 27 6.376 13.504 -3.127 1.00 0.00 C ATOM 431 NE ARG A 27 6.176 14.876 -3.625 1.00 0.00 N ATOM 432 CZ ARG A 27 5.013 15.470 -3.865 1.00 0.00 C ATOM 433 NH1 ARG A 27 3.856 14.886 -3.627 1.00 0.00 N ATOM 434 NH2 ARG A 27 5.020 16.686 -4.365 1.00 0.00 N ATOM 0 HA ARG A 27 7.557 11.226 -2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.511 10.389 -4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.554 10.709 -3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.087 12.716 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.351 12.602 -4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.617 13.270 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.344 13.431 -2.631 1.00 0.00 H new ATOM 0 HE ARG A 27 7.017 15.426 -3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.831 13.941 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.985 15.379 -3.826 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.906 17.152 -4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.139 17.163 -4.558 1.00 0.00 H new ATOM 448 N LYS A 28 6.866 8.753 -1.781 1.00 0.00 N ATOM 449 CA LYS A 28 6.878 7.409 -1.187 1.00 0.00 C ATOM 450 C LYS A 28 6.039 6.429 -2.027 1.00 0.00 C ATOM 451 O LYS A 28 4.879 6.710 -2.324 1.00 0.00 O ATOM 452 CB LYS A 28 6.356 7.485 0.265 1.00 0.00 C ATOM 453 CG LYS A 28 7.003 8.594 1.118 1.00 0.00 C ATOM 454 CD LYS A 28 6.084 9.827 1.254 1.00 0.00 C ATOM 455 CE LYS A 28 6.883 11.002 1.830 1.00 0.00 C ATOM 456 NZ LYS A 28 6.100 12.270 1.903 1.00 0.00 N ATOM 0 H LYS A 28 6.058 9.305 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 28 7.901 7.033 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.278 7.643 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.527 6.524 0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.233 8.202 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.948 8.894 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.673 10.096 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.240 9.595 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.231 10.740 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.769 11.165 1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.696 13.024 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.789 12.541 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.268 12.130 2.511 1.00 0.00 H new ATOM 470 N PHE A 29 6.598 5.267 -2.372 1.00 0.00 N ATOM 471 CA PHE A 29 5.930 4.232 -3.168 1.00 0.00 C ATOM 472 C PHE A 29 6.565 2.843 -3.031 1.00 0.00 C ATOM 473 O PHE A 29 7.722 2.697 -2.630 1.00 0.00 O ATOM 474 CB PHE A 29 5.861 4.667 -4.645 1.00 0.00 C ATOM 475 CG PHE A 29 7.212 4.906 -5.295 1.00 0.00 C ATOM 476 CD1 PHE A 29 7.947 3.824 -5.817 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.746 6.208 -5.363 1.00 0.00 C ATOM 478 CE1 PHE A 29 9.216 4.039 -6.385 1.00 0.00 C ATOM 479 CE2 PHE A 29 9.012 6.423 -5.937 1.00 0.00 C ATOM 480 CZ PHE A 29 9.749 5.339 -6.444 1.00 0.00 C ATOM 0 H PHE A 29 7.548 5.013 -2.101 1.00 0.00 H new ATOM 0 HA PHE A 29 4.921 4.132 -2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.330 3.902 -5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.272 5.581 -4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.535 2.826 -5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.182 7.043 -4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.781 3.206 -6.776 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.418 7.422 -5.988 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.724 5.504 -6.879 1.00 0.00 H new ATOM 490 N ILE A 30 5.793 1.824 -3.411 1.00 0.00 N ATOM 491 CA ILE A 30 6.158 0.400 -3.449 1.00 0.00 C ATOM 492 C ILE A 30 5.546 -0.276 -4.678 1.00 0.00 C ATOM 493 O ILE A 30 4.515 0.168 -5.178 1.00 0.00 O ATOM 494 CB ILE A 30 5.733 -0.314 -2.141 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.199 -0.312 -1.936 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.447 0.311 -0.934 1.00 0.00 C ATOM 497 CD1 ILE A 30 3.775 -0.774 -0.540 1.00 0.00 C ATOM 0 H ILE A 30 4.833 1.977 -3.721 1.00 0.00 H new ATOM 0 HA ILE A 30 7.242 0.323 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 30 6.035 -1.357 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.817 0.694 -2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.739 -0.961 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.138 -0.201 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.525 0.212 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.185 1.367 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.688 -0.749 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.127 -1.791 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.207 -0.111 0.210 1.00 0.00 H new ATOM 509 N ILE A 31 6.165 -1.351 -5.164 1.00 0.00 N ATOM 510 CA ILE A 31 5.682 -2.155 -6.292 1.00 0.00 C ATOM 511 C ILE A 31 5.365 -3.568 -5.803 1.00 0.00 C ATOM 512 O ILE A 31 6.160 -4.203 -5.106 1.00 0.00 O ATOM 513 CB ILE A 31 6.679 -2.153 -7.478 1.00 0.00 C ATOM 514 CG1 ILE A 31 6.999 -0.712 -7.952 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.091 -2.945 -8.664 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.274 -0.112 -7.347 1.00 0.00 C ATOM 0 H ILE A 31 7.041 -1.699 -4.775 1.00 0.00 H new ATOM 0 HA ILE A 31 4.767 -1.706 -6.679 1.00 0.00 H new ATOM 0 HB ILE A 31 7.600 -2.620 -7.130 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.093 -0.713 -9.038 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.156 -0.066 -7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.799 -2.938 -9.493 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.902 -3.974 -8.357 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.156 -2.484 -8.982 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.420 0.897 -7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.179 -0.075 -6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.130 -0.731 -7.615 1.00 0.00 H new ATOM 528 N ALA A 32 4.192 -4.053 -6.197 1.00 0.00 N ATOM 529 CA ALA A 32 3.602 -5.311 -5.776 1.00 0.00 C ATOM 530 C ALA A 32 3.298 -6.195 -6.987 1.00 0.00 C ATOM 531 O ALA A 32 2.846 -5.699 -8.021 1.00 0.00 O ATOM 532 CB ALA A 32 2.314 -4.971 -5.021 1.00 0.00 C ATOM 0 H ALA A 32 3.598 -3.548 -6.855 1.00 0.00 H new ATOM 0 HA ALA A 32 4.290 -5.865 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.836 -5.891 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.552 -4.349 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.637 -4.430 -5.682 1.00 0.00 H new ATOM 538 N ASN A 33 3.484 -7.507 -6.861 1.00 0.00 N ATOM 539 CA ASN A 33 3.056 -8.441 -7.901 1.00 0.00 C ATOM 540 C ASN A 33 1.518 -8.558 -7.944 1.00 0.00 C ATOM 541 O ASN A 33 0.896 -8.900 -6.937 1.00 0.00 O ATOM 542 CB ASN A 33 3.725 -9.799 -7.655 1.00 0.00 C ATOM 543 CG ASN A 33 3.796 -10.605 -8.942 1.00 0.00 C ATOM 544 OD1 ASN A 33 2.787 -10.964 -9.532 1.00 0.00 O ATOM 545 ND2 ASN A 33 4.995 -10.856 -9.429 1.00 0.00 N ATOM 0 H ASN A 33 3.926 -7.946 -6.053 1.00 0.00 H new ATOM 0 HA ASN A 33 3.366 -8.068 -8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.729 -9.649 -7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.165 -10.355 -6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.092 -11.357 -10.312 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.826 -10.549 -8.923 1.00 0.00 H new ATOM 552 N ALA A 34 0.885 -8.307 -9.097 1.00 0.00 N ATOM 553 CA ALA A 34 -0.574 -8.448 -9.241 1.00 0.00 C ATOM 554 C ALA A 34 -1.008 -9.925 -9.296 1.00 0.00 C ATOM 555 O ALA A 34 -2.044 -10.295 -8.744 1.00 0.00 O ATOM 556 CB ALA A 34 -1.034 -7.684 -10.492 1.00 0.00 C ATOM 0 H ALA A 34 1.360 -8.004 -9.947 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.053 -8.020 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.114 -7.785 -10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.777 -6.630 -10.390 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.538 -8.094 -11.372 1.00 0.00 H new ATOM 562 N ARG A 35 -0.181 -10.797 -9.887 1.00 0.00 N ATOM 563 CA ARG A 35 -0.460 -12.226 -10.137 1.00 0.00 C ATOM 564 C ARG A 35 -0.241 -13.116 -8.888 1.00 0.00 C ATOM 565 O ARG A 35 0.210 -14.258 -8.995 1.00 0.00 O ATOM 566 CB ARG A 35 0.367 -12.704 -11.352 1.00 0.00 C ATOM 567 CG ARG A 35 0.199 -11.803 -12.593 1.00 0.00 C ATOM 568 CD ARG A 35 0.860 -12.391 -13.846 1.00 0.00 C ATOM 569 NE ARG A 35 2.321 -12.533 -13.690 1.00 0.00 N ATOM 570 CZ ARG A 35 3.118 -13.323 -14.403 1.00 0.00 C ATOM 571 NH1 ARG A 35 2.663 -14.071 -15.389 1.00 0.00 N ATOM 572 NH2 ARG A 35 4.405 -13.375 -14.133 1.00 0.00 N ATOM 0 H ARG A 35 0.742 -10.519 -10.220 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.520 -12.328 -10.369 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.421 -12.738 -11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.071 -13.722 -11.607 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.863 -11.651 -12.785 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.629 -10.823 -12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.423 -13.366 -14.062 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.648 -11.750 -14.702 1.00 0.00 H new ATOM 0 HE ARG A 35 2.763 -11.969 -12.964 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.671 -14.055 -15.625 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.303 -14.666 -15.915 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.791 -12.809 -13.377 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.017 -13.981 -14.680 1.00 0.00 H new ATOM 586 N VAL A 36 -0.520 -12.579 -7.695 1.00 0.00 N ATOM 587 CA VAL A 36 -0.263 -13.174 -6.366 1.00 0.00 C ATOM 588 C VAL A 36 -1.398 -12.762 -5.421 1.00 0.00 C ATOM 589 O VAL A 36 -1.752 -11.587 -5.372 1.00 0.00 O ATOM 590 CB VAL A 36 1.112 -12.722 -5.795 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.333 -13.172 -4.339 1.00 0.00 C ATOM 592 CG2 VAL A 36 2.288 -13.248 -6.633 1.00 0.00 C ATOM 0 H VAL A 36 -0.958 -11.661 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.229 -14.259 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 36 1.083 -11.633 -5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.309 -12.828 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.555 -12.748 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.292 -14.260 -4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.227 -12.907 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.268 -14.338 -6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.205 -12.873 -7.653 1.00 0.00 H new ATOM 602 N GLU A 37 -1.947 -13.719 -4.665 1.00 0.00 N ATOM 603 CA GLU A 37 -3.151 -13.543 -3.832 1.00 0.00 C ATOM 604 C GLU A 37 -3.011 -12.419 -2.786 1.00 0.00 C ATOM 605 O GLU A 37 -3.935 -11.628 -2.582 1.00 0.00 O ATOM 606 CB GLU A 37 -3.460 -14.886 -3.147 1.00 0.00 C ATOM 607 CG GLU A 37 -4.795 -14.892 -2.391 1.00 0.00 C ATOM 608 CD GLU A 37 -5.105 -16.293 -1.843 1.00 0.00 C ATOM 609 OE1 GLU A 37 -4.664 -16.619 -0.715 1.00 0.00 O ATOM 610 OE2 GLU A 37 -5.797 -17.080 -2.533 1.00 0.00 O ATOM 0 H GLU A 37 -1.560 -14.661 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.972 -13.237 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.474 -15.674 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.656 -15.124 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.757 -14.176 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.596 -14.571 -3.057 1.00 0.00 H new ATOM 617 N ASN A 38 -1.841 -12.323 -2.144 1.00 0.00 N ATOM 618 CA ASN A 38 -1.546 -11.326 -1.103 1.00 0.00 C ATOM 619 C ASN A 38 -1.072 -9.963 -1.657 1.00 0.00 C ATOM 620 O ASN A 38 -0.936 -9.016 -0.883 1.00 0.00 O ATOM 621 CB ASN A 38 -0.482 -11.921 -0.162 1.00 0.00 C ATOM 622 CG ASN A 38 -0.988 -13.154 0.586 1.00 0.00 C ATOM 623 OD1 ASN A 38 -1.957 -13.098 1.334 1.00 0.00 O ATOM 624 ND2 ASN A 38 -0.354 -14.301 0.407 1.00 0.00 N ATOM 0 H ASN A 38 -1.057 -12.947 -2.335 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.475 -11.114 -0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.402 -12.188 -0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.174 -11.163 0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.672 -15.140 0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.452 -14.346 -0.216 1.00 0.00 H new ATOM 631 N CYS A 39 -0.756 -9.864 -2.959 1.00 0.00 N ATOM 632 CA CYS A 39 -0.007 -8.748 -3.572 1.00 0.00 C ATOM 633 C CYS A 39 1.238 -8.366 -2.745 1.00 0.00 C ATOM 634 O CYS A 39 1.342 -7.265 -2.199 1.00 0.00 O ATOM 635 CB CYS A 39 -0.957 -7.576 -3.875 1.00 0.00 C ATOM 636 SG CYS A 39 -2.029 -8.033 -5.271 1.00 0.00 S ATOM 0 H CYS A 39 -1.022 -10.579 -3.637 1.00 0.00 H new ATOM 0 HA CYS A 39 0.397 -9.071 -4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.560 -7.343 -2.997 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.385 -6.680 -4.116 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.034 -9.326 -5.409 1.00 0.00 H new ATOM 642 N ALA A 40 2.165 -9.322 -2.614 1.00 0.00 N ATOM 643 CA ALA A 40 3.416 -9.155 -1.875 1.00 0.00 C ATOM 644 C ALA A 40 4.310 -8.060 -2.494 1.00 0.00 C ATOM 645 O ALA A 40 4.393 -7.946 -3.718 1.00 0.00 O ATOM 646 CB ALA A 40 4.134 -10.512 -1.812 1.00 0.00 C ATOM 0 H ALA A 40 2.062 -10.249 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 40 3.192 -8.818 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.070 -10.403 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.498 -11.237 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.345 -10.859 -2.823 1.00 0.00 H new ATOM 652 N VAL A 41 5.007 -7.302 -1.641 1.00 0.00 N ATOM 653 CA VAL A 41 6.009 -6.298 -2.042 1.00 0.00 C ATOM 654 C VAL A 41 7.138 -7.004 -2.794 1.00 0.00 C ATOM 655 O VAL A 41 7.852 -7.826 -2.218 1.00 0.00 O ATOM 656 CB VAL A 41 6.603 -5.527 -0.823 1.00 0.00 C ATOM 657 CG1 VAL A 41 7.610 -4.453 -1.267 1.00 0.00 C ATOM 658 CG2 VAL A 41 5.559 -4.871 0.103 1.00 0.00 C ATOM 0 H VAL A 41 4.891 -7.368 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 41 5.512 -5.565 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 41 7.101 -6.304 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.002 -3.937 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.430 -4.925 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.112 -3.734 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.068 -4.359 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.970 -4.151 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.900 -5.638 0.510 1.00 0.00 H new ATOM 668 N ILE A 42 7.305 -6.664 -4.075 1.00 0.00 N ATOM 669 CA ILE A 42 8.463 -7.103 -4.884 1.00 0.00 C ATOM 670 C ILE A 42 9.551 -6.031 -4.971 1.00 0.00 C ATOM 671 O ILE A 42 10.713 -6.361 -5.217 1.00 0.00 O ATOM 672 CB ILE A 42 8.040 -7.582 -6.289 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.230 -6.532 -7.079 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.278 -8.903 -6.137 1.00 0.00 C ATOM 675 CD1 ILE A 42 6.956 -6.939 -8.530 1.00 0.00 C ATOM 0 H ILE A 42 6.646 -6.077 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 42 8.893 -7.958 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 42 8.938 -7.736 -6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.280 -6.360 -6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.771 -5.586 -7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.969 -9.260 -7.119 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.925 -9.644 -5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.397 -8.745 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.383 -6.155 -9.026 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.902 -7.083 -9.052 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.388 -7.869 -8.546 1.00 0.00 H new ATOM 687 N TYR A 43 9.195 -4.768 -4.724 1.00 0.00 N ATOM 688 CA TYR A 43 10.131 -3.648 -4.675 1.00 0.00 C ATOM 689 C TYR A 43 9.579 -2.483 -3.841 1.00 0.00 C ATOM 690 O TYR A 43 8.370 -2.277 -3.760 1.00 0.00 O ATOM 691 CB TYR A 43 10.462 -3.194 -6.105 1.00 0.00 C ATOM 692 CG TYR A 43 11.801 -2.487 -6.200 1.00 0.00 C ATOM 693 CD1 TYR A 43 12.989 -3.242 -6.243 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.868 -1.079 -6.174 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.240 -2.596 -6.261 1.00 0.00 C ATOM 696 CE2 TYR A 43 13.115 -0.426 -6.196 1.00 0.00 C ATOM 697 CZ TYR A 43 14.307 -1.184 -6.237 1.00 0.00 C ATOM 698 OH TYR A 43 15.519 -0.563 -6.224 1.00 0.00 O ATOM 0 H TYR A 43 8.229 -4.493 -4.549 1.00 0.00 H new ATOM 0 HA TYR A 43 11.045 -3.983 -4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.466 -4.061 -6.765 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.677 -2.526 -6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.940 -4.321 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.958 -0.498 -6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.148 -3.179 -6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.161 0.653 -6.182 1.00 0.00 H new ATOM 0 HH TYR A 43 15.389 0.408 -6.209 1.00 0.00 H new ATOM 708 N CYS A 44 10.453 -1.675 -3.248 1.00 0.00 N ATOM 709 CA CYS A 44 10.061 -0.537 -2.414 1.00 0.00 C ATOM 710 C CYS A 44 11.111 0.582 -2.382 1.00 0.00 C ATOM 711 O CYS A 44 12.298 0.329 -2.597 1.00 0.00 O ATOM 712 CB CYS A 44 9.696 -1.064 -1.020 1.00 0.00 C ATOM 713 SG CYS A 44 11.074 -1.987 -0.277 1.00 0.00 S ATOM 0 H CYS A 44 11.463 -1.791 -3.332 1.00 0.00 H new ATOM 0 HA CYS A 44 9.187 -0.058 -2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.425 -0.229 -0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.821 -1.709 -1.091 1.00 0.00 H new ATOM 0 HG CYS A 44 10.726 -2.413 0.901 1.00 0.00 H new ATOM 719 N ASN A 45 10.663 1.815 -2.129 1.00 0.00 N ATOM 720 CA ASN A 45 11.560 2.987 -2.084 1.00 0.00 C ATOM 721 C ASN A 45 12.319 3.095 -0.733 1.00 0.00 C ATOM 722 O ASN A 45 12.270 2.185 0.093 1.00 0.00 O ATOM 723 CB ASN A 45 10.749 4.260 -2.432 1.00 0.00 C ATOM 724 CG ASN A 45 11.599 5.424 -2.957 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.809 5.329 -3.111 1.00 0.00 O ATOM 726 ND2 ASN A 45 11.011 6.577 -3.214 1.00 0.00 N ATOM 0 H ASN A 45 9.683 2.034 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 45 12.343 2.868 -2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.999 4.006 -3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.212 4.589 -1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.564 7.371 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.003 6.674 -3.091 1.00 0.00 H new ATOM 733 N ASP A 46 12.985 4.224 -0.473 1.00 0.00 N ATOM 734 CA ASP A 46 13.571 4.583 0.831 1.00 0.00 C ATOM 735 C ASP A 46 12.703 5.589 1.613 1.00 0.00 C ATOM 736 O ASP A 46 12.779 5.647 2.841 1.00 0.00 O ATOM 737 CB ASP A 46 14.972 5.170 0.605 1.00 0.00 C ATOM 738 CG ASP A 46 15.962 4.125 0.065 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.451 3.291 0.864 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.273 4.158 -1.151 1.00 0.00 O ATOM 0 H ASP A 46 13.138 4.939 -1.184 1.00 0.00 H new ATOM 0 HA ASP A 46 13.626 3.676 1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.906 6.002 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.350 5.574 1.544 1.00 0.00 H new ATOM 745 N GLY A 47 11.847 6.362 0.925 1.00 0.00 N ATOM 746 CA GLY A 47 11.015 7.397 1.546 1.00 0.00 C ATOM 747 C GLY A 47 9.871 6.819 2.374 1.00 0.00 C ATOM 748 O GLY A 47 9.557 7.341 3.442 1.00 0.00 O ATOM 0 H GLY A 47 11.714 6.283 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.639 8.023 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.605 8.042 0.769 1.00 0.00 H new ATOM 752 N PHE A 48 9.270 5.712 1.911 1.00 0.00 N ATOM 753 CA PHE A 48 8.169 5.046 2.619 1.00 0.00 C ATOM 754 C PHE A 48 8.639 4.424 3.956 1.00 0.00 C ATOM 755 O PHE A 48 7.879 4.406 4.922 1.00 0.00 O ATOM 756 CB PHE A 48 7.481 4.021 1.689 1.00 0.00 C ATOM 757 CG PHE A 48 7.974 2.600 1.800 1.00 0.00 C ATOM 758 CD1 PHE A 48 9.272 2.237 1.409 1.00 0.00 C ATOM 759 CD2 PHE A 48 7.129 1.651 2.392 1.00 0.00 C ATOM 760 CE1 PHE A 48 9.748 0.947 1.698 1.00 0.00 C ATOM 761 CE2 PHE A 48 7.595 0.362 2.653 1.00 0.00 C ATOM 762 CZ PHE A 48 8.914 0.010 2.327 1.00 0.00 C ATOM 0 H PHE A 48 9.534 5.256 1.038 1.00 0.00 H new ATOM 0 HA PHE A 48 7.424 5.795 2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.411 4.032 1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.609 4.351 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.901 2.945 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.114 1.918 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.760 0.676 1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.939 -0.366 3.107 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.285 -0.977 2.559 1.00 0.00 H new ATOM 772 N CYS A 49 9.909 3.992 4.042 1.00 0.00 N ATOM 773 CA CYS A 49 10.531 3.469 5.265 1.00 0.00 C ATOM 774 C CYS A 49 10.443 4.473 6.423 1.00 0.00 C ATOM 775 O CYS A 49 9.942 4.144 7.495 1.00 0.00 O ATOM 776 CB CYS A 49 11.999 3.099 4.983 1.00 0.00 C ATOM 777 SG CYS A 49 12.138 1.825 3.701 1.00 0.00 S ATOM 0 H CYS A 49 10.544 3.998 3.244 1.00 0.00 H new ATOM 0 HA CYS A 49 9.984 2.577 5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.545 3.989 4.671 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.467 2.743 5.901 1.00 0.00 H new ATOM 0 HG CYS A 49 11.080 1.852 2.946 1.00 0.00 H new ATOM 783 N GLU A 50 10.880 5.713 6.182 1.00 0.00 N ATOM 784 CA GLU A 50 10.869 6.791 7.181 1.00 0.00 C ATOM 785 C GLU A 50 9.452 7.306 7.493 1.00 0.00 C ATOM 786 O GLU A 50 9.230 7.895 8.554 1.00 0.00 O ATOM 787 CB GLU A 50 11.757 7.951 6.706 1.00 0.00 C ATOM 788 CG GLU A 50 13.222 7.523 6.566 1.00 0.00 C ATOM 789 CD GLU A 50 14.132 8.738 6.329 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.261 9.190 5.166 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.731 9.250 7.305 1.00 0.00 O ATOM 0 H GLU A 50 11.256 6.002 5.279 1.00 0.00 H new ATOM 0 HA GLU A 50 11.263 6.372 8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.392 8.319 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.685 8.777 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.539 6.998 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.322 6.822 5.737 1.00 0.00 H new ATOM 798 N LEU A 51 8.490 7.065 6.591 1.00 0.00 N ATOM 799 CA LEU A 51 7.080 7.424 6.765 1.00 0.00 C ATOM 800 C LEU A 51 6.449 6.641 7.925 1.00 0.00 C ATOM 801 O LEU A 51 5.928 7.240 8.865 1.00 0.00 O ATOM 802 CB LEU A 51 6.336 7.179 5.429 1.00 0.00 C ATOM 803 CG LEU A 51 5.108 8.082 5.203 1.00 0.00 C ATOM 804 CD1 LEU A 51 5.577 9.530 4.991 1.00 0.00 C ATOM 805 CD2 LEU A 51 4.317 7.577 3.990 1.00 0.00 C ATOM 0 H LEU A 51 8.678 6.604 5.700 1.00 0.00 H new ATOM 0 HA LEU A 51 6.998 8.479 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.036 7.327 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.016 6.138 5.392 1.00 0.00 H new ATOM 0 HG LEU A 51 4.454 8.052 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.712 10.173 4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.122 9.869 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.230 9.577 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.448 8.216 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.953 7.601 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.987 6.554 4.171 1.00 0.00 H new ATOM 817 N CYS A 52 6.521 5.304 7.866 1.00 0.00 N ATOM 818 CA CYS A 52 5.889 4.404 8.845 1.00 0.00 C ATOM 819 C CYS A 52 6.859 3.884 9.929 1.00 0.00 C ATOM 820 O CYS A 52 6.418 3.366 10.955 1.00 0.00 O ATOM 821 CB CYS A 52 5.196 3.264 8.086 1.00 0.00 C ATOM 822 SG CYS A 52 4.000 3.948 6.897 1.00 0.00 S ATOM 0 H CYS A 52 7.025 4.810 7.130 1.00 0.00 H new ATOM 0 HA CYS A 52 5.149 4.976 9.404 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.938 2.660 7.563 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.687 2.605 8.789 1.00 0.00 H new ATOM 0 HG CYS A 52 3.576 3.001 6.114 1.00 0.00 H new ATOM 828 N GLY A 53 8.172 4.044 9.738 1.00 0.00 N ATOM 829 CA GLY A 53 9.221 3.765 10.728 1.00 0.00 C ATOM 830 C GLY A 53 9.791 2.345 10.654 1.00 0.00 C ATOM 831 O GLY A 53 10.645 1.989 11.466 1.00 0.00 O ATOM 0 H GLY A 53 8.550 4.385 8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.034 4.478 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.816 3.931 11.726 1.00 0.00 H new ATOM 835 N TYR A 54 9.333 1.539 9.691 1.00 0.00 N ATOM 836 CA TYR A 54 9.892 0.225 9.361 1.00 0.00 C ATOM 837 C TYR A 54 11.083 0.328 8.368 1.00 0.00 C ATOM 838 O TYR A 54 11.757 1.356 8.291 1.00 0.00 O ATOM 839 CB TYR A 54 8.732 -0.691 8.920 1.00 0.00 C ATOM 840 CG TYR A 54 7.768 -0.230 7.836 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.135 0.705 6.848 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.464 -0.763 7.829 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.205 1.106 5.871 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.530 -0.372 6.852 1.00 0.00 C ATOM 845 CZ TYR A 54 5.900 0.566 5.865 1.00 0.00 C ATOM 846 OH TYR A 54 5.002 0.950 4.916 1.00 0.00 O ATOM 0 H TYR A 54 8.539 1.791 9.102 1.00 0.00 H new ATOM 0 HA TYR A 54 10.351 -0.236 10.236 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.171 -1.631 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.139 -0.914 9.807 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.134 1.116 6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.178 -1.481 8.583 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.491 1.830 5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.533 -0.788 6.858 1.00 0.00 H new ATOM 0 HH TYR A 54 5.432 0.940 4.035 1.00 0.00 H new ATOM 856 N SER A 55 11.348 -0.714 7.577 1.00 0.00 N ATOM 857 CA SER A 55 12.444 -0.763 6.592 1.00 0.00 C ATOM 858 C SER A 55 12.130 -1.732 5.444 1.00 0.00 C ATOM 859 O SER A 55 11.236 -2.578 5.577 1.00 0.00 O ATOM 860 CB SER A 55 13.744 -1.203 7.284 1.00 0.00 C ATOM 861 OG SER A 55 13.676 -2.571 7.680 1.00 0.00 O ATOM 0 H SER A 55 10.796 -1.571 7.600 1.00 0.00 H new ATOM 0 HA SER A 55 12.559 0.237 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.587 -1.058 6.608 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.925 -0.577 8.158 1.00 0.00 H new ATOM 0 HG SER A 55 14.515 -2.827 8.116 1.00 0.00 H new ATOM 867 N ARG A 56 12.918 -1.691 4.356 1.00 0.00 N ATOM 868 CA ARG A 56 12.860 -2.704 3.290 1.00 0.00 C ATOM 869 C ARG A 56 12.951 -4.115 3.884 1.00 0.00 C ATOM 870 O ARG A 56 12.048 -4.908 3.660 1.00 0.00 O ATOM 871 CB ARG A 56 13.938 -2.447 2.214 1.00 0.00 C ATOM 872 CG ARG A 56 14.023 -3.609 1.201 1.00 0.00 C ATOM 873 CD ARG A 56 15.002 -3.378 0.046 1.00 0.00 C ATOM 874 NE ARG A 56 14.486 -2.438 -0.967 1.00 0.00 N ATOM 875 CZ ARG A 56 15.166 -2.035 -2.039 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.363 -2.507 -2.326 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.660 -1.141 -2.857 1.00 0.00 N ATOM 0 H ARG A 56 13.609 -0.959 4.192 1.00 0.00 H new ATOM 0 HA ARG A 56 11.896 -2.625 2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.712 -1.520 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.907 -2.312 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.315 -4.515 1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.030 -3.787 0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.941 -2.995 0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 56 15.224 -4.332 -0.431 1.00 0.00 H new ATOM 0 HE ARG A 56 13.543 -2.071 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.796 -3.203 -1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.856 -2.176 -3.155 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.737 -0.747 -2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.190 -0.840 -3.675 1.00 0.00 H new ATOM 891 N ALA A 57 13.962 -4.413 4.705 1.00 0.00 N ATOM 892 CA ALA A 57 14.159 -5.740 5.310 1.00 0.00 C ATOM 893 C ALA A 57 12.928 -6.256 6.088 1.00 0.00 C ATOM 894 O ALA A 57 12.665 -7.459 6.085 1.00 0.00 O ATOM 895 CB ALA A 57 15.397 -5.668 6.211 1.00 0.00 C ATOM 0 H ALA A 57 14.676 -3.735 4.973 1.00 0.00 H new ATOM 0 HA ALA A 57 14.304 -6.464 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.567 -6.640 6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 57 16.266 -5.393 5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.239 -4.919 6.987 1.00 0.00 H new ATOM 901 N GLU A 58 12.154 -5.355 6.707 1.00 0.00 N ATOM 902 CA GLU A 58 10.922 -5.694 7.433 1.00 0.00 C ATOM 903 C GLU A 58 9.689 -5.758 6.522 1.00 0.00 C ATOM 904 O GLU A 58 8.833 -6.618 6.727 1.00 0.00 O ATOM 905 CB GLU A 58 10.677 -4.657 8.537 1.00 0.00 C ATOM 906 CG GLU A 58 11.774 -4.708 9.601 1.00 0.00 C ATOM 907 CD GLU A 58 11.679 -5.972 10.473 1.00 0.00 C ATOM 908 OE1 GLU A 58 10.694 -6.115 11.235 1.00 0.00 O ATOM 909 OE2 GLU A 58 12.594 -6.828 10.413 1.00 0.00 O ATOM 0 H GLU A 58 12.368 -4.358 6.718 1.00 0.00 H new ATOM 0 HA GLU A 58 11.066 -6.688 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.638 -3.659 8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.708 -4.839 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.750 -4.675 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.704 -3.825 10.236 1.00 0.00 H new ATOM 916 N VAL A 59 9.590 -4.868 5.529 1.00 0.00 N ATOM 917 CA VAL A 59 8.487 -4.815 4.550 1.00 0.00 C ATOM 918 C VAL A 59 8.640 -5.902 3.459 1.00 0.00 C ATOM 919 O VAL A 59 7.672 -6.239 2.777 1.00 0.00 O ATOM 920 CB VAL A 59 8.356 -3.372 3.977 1.00 0.00 C ATOM 921 CG1 VAL A 59 7.365 -3.301 2.807 1.00 0.00 C ATOM 922 CG2 VAL A 59 7.902 -2.428 5.102 1.00 0.00 C ATOM 0 H VAL A 59 10.291 -4.143 5.376 1.00 0.00 H new ATOM 0 HA VAL A 59 7.549 -5.046 5.054 1.00 0.00 H new ATOM 0 HB VAL A 59 9.330 -3.070 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.307 -2.276 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.704 -3.955 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.380 -3.622 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.807 -1.415 4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.938 -2.759 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.638 -2.439 5.906 1.00 0.00 H new ATOM 932 N MET A 60 9.823 -6.515 3.310 1.00 0.00 N ATOM 933 CA MET A 60 10.041 -7.628 2.370 1.00 0.00 C ATOM 934 C MET A 60 9.141 -8.833 2.703 1.00 0.00 C ATOM 935 O MET A 60 9.052 -9.257 3.856 1.00 0.00 O ATOM 936 CB MET A 60 11.526 -8.029 2.344 1.00 0.00 C ATOM 937 CG MET A 60 12.326 -7.137 1.385 1.00 0.00 C ATOM 938 SD MET A 60 14.121 -7.403 1.409 1.00 0.00 S ATOM 939 CE MET A 60 14.214 -9.048 0.655 1.00 0.00 C ATOM 0 H MET A 60 10.657 -6.254 3.837 1.00 0.00 H new ATOM 0 HA MET A 60 9.764 -7.286 1.373 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.943 -7.953 3.348 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.619 -9.071 2.038 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.963 -7.302 0.371 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.125 -6.094 1.630 1.00 0.00 H new ATOM 0 HE1 MET A 60 15.259 -9.340 0.546 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.700 -9.769 1.291 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.739 -9.026 -0.326 1.00 0.00 H new ATOM 949 N GLN A 61 8.464 -9.361 1.672 1.00 0.00 N ATOM 950 CA GLN A 61 7.534 -10.508 1.724 1.00 0.00 C ATOM 951 C GLN A 61 6.188 -10.186 2.421 1.00 0.00 C ATOM 952 O GLN A 61 5.414 -11.091 2.735 1.00 0.00 O ATOM 953 CB GLN A 61 8.254 -11.752 2.306 1.00 0.00 C ATOM 954 CG GLN A 61 7.732 -13.114 1.801 1.00 0.00 C ATOM 955 CD GLN A 61 8.035 -13.419 0.326 1.00 0.00 C ATOM 956 OE1 GLN A 61 8.558 -12.609 -0.432 1.00 0.00 O ATOM 957 NE2 GLN A 61 7.715 -14.608 -0.144 1.00 0.00 N ATOM 0 H GLN A 61 8.552 -8.982 0.729 1.00 0.00 H new ATOM 0 HA GLN A 61 7.242 -10.744 0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.316 -11.679 2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.165 -11.728 3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.165 -13.903 2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.653 -13.150 1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.279 -15.298 0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.903 -14.838 -1.120 1.00 0.00 H new ATOM 966 N ARG A 62 5.881 -8.897 2.635 1.00 0.00 N ATOM 967 CA ARG A 62 4.597 -8.421 3.181 1.00 0.00 C ATOM 968 C ARG A 62 3.626 -8.035 2.059 1.00 0.00 C ATOM 969 O ARG A 62 4.089 -7.719 0.959 1.00 0.00 O ATOM 970 CB ARG A 62 4.794 -7.206 4.102 1.00 0.00 C ATOM 971 CG ARG A 62 5.540 -7.578 5.385 1.00 0.00 C ATOM 972 CD ARG A 62 5.165 -6.590 6.491 1.00 0.00 C ATOM 973 NE ARG A 62 6.144 -6.633 7.586 1.00 0.00 N ATOM 974 CZ ARG A 62 5.937 -6.395 8.875 1.00 0.00 C ATOM 975 NH1 ARG A 62 4.766 -6.015 9.344 1.00 0.00 N ATOM 976 NH2 ARG A 62 6.936 -6.539 9.717 1.00 0.00 N ATOM 0 H ARG A 62 6.532 -8.139 2.429 1.00 0.00 H new ATOM 0 HA ARG A 62 4.178 -9.245 3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.349 -6.433 3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.823 -6.782 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.284 -8.594 5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.616 -7.558 5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.115 -5.581 6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.173 -6.827 6.875 1.00 0.00 H new ATOM 0 HE ARG A 62 7.099 -6.875 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.977 -5.894 8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.648 -5.842 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.852 -6.829 9.376 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.795 -6.360 10.711 1.00 0.00 H new ATOM 990 N PRO A 63 2.306 -7.995 2.326 1.00 0.00 N ATOM 991 CA PRO A 63 1.318 -7.449 1.402 1.00 0.00 C ATOM 992 C PRO A 63 1.456 -5.921 1.305 1.00 0.00 C ATOM 993 O PRO A 63 1.585 -5.240 2.323 1.00 0.00 O ATOM 994 CB PRO A 63 -0.035 -7.867 1.987 1.00 0.00 C ATOM 995 CG PRO A 63 0.228 -7.926 3.491 1.00 0.00 C ATOM 996 CD PRO A 63 1.658 -8.451 3.555 1.00 0.00 C ATOM 0 HA PRO A 63 1.442 -7.820 0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.817 -7.147 1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.359 -8.832 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.134 -6.946 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.471 -8.590 4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.176 -8.069 4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.672 -9.539 3.624 1.00 0.00 H new ATOM 1004 N CYS A 64 1.382 -5.367 0.088 1.00 0.00 N ATOM 1005 CA CYS A 64 1.454 -3.913 -0.140 1.00 0.00 C ATOM 1006 C CYS A 64 0.255 -3.120 0.415 1.00 0.00 C ATOM 1007 O CYS A 64 0.296 -1.889 0.437 1.00 0.00 O ATOM 1008 CB CYS A 64 1.634 -3.655 -1.641 1.00 0.00 C ATOM 1009 SG CYS A 64 3.339 -4.046 -2.083 1.00 0.00 S ATOM 0 H CYS A 64 1.271 -5.911 -0.767 1.00 0.00 H new ATOM 0 HA CYS A 64 2.313 -3.545 0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.942 -4.269 -2.217 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.410 -2.615 -1.877 1.00 0.00 H new ATOM 0 HG CYS A 64 3.718 -3.284 -3.066 1.00 0.00 H new ATOM 1015 N THR A 65 -0.797 -3.809 0.879 1.00 0.00 N ATOM 1016 CA THR A 65 -1.936 -3.207 1.586 1.00 0.00 C ATOM 1017 C THR A 65 -1.504 -2.520 2.882 1.00 0.00 C ATOM 1018 O THR A 65 -2.171 -1.570 3.295 1.00 0.00 O ATOM 1019 CB THR A 65 -2.998 -4.262 1.910 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.397 -5.268 2.697 1.00 0.00 O ATOM 1021 CG2 THR A 65 -3.582 -4.909 0.652 1.00 0.00 C ATOM 0 H THR A 65 -0.882 -4.820 0.771 1.00 0.00 H new ATOM 0 HA THR A 65 -2.357 -2.456 0.918 1.00 0.00 H new ATOM 0 HB THR A 65 -3.814 -3.768 2.437 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.063 -5.953 2.917 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.330 -5.649 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.048 -4.143 0.032 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.785 -5.396 0.090 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.413 -2.993 3.512 1.00 0.00 N ATOM 1030 CA CYS A 66 0.097 -2.501 4.801 1.00 0.00 C ATOM 1031 C CYS A 66 -0.992 -2.429 5.897 1.00 0.00 C ATOM 1032 O CYS A 66 -0.981 -1.538 6.749 1.00 0.00 O ATOM 1033 CB CYS A 66 0.868 -1.188 4.576 1.00 0.00 C ATOM 1034 SG CYS A 66 2.328 -1.484 3.531 1.00 0.00 S ATOM 0 H CYS A 66 0.152 -3.749 3.126 1.00 0.00 H new ATOM 0 HA CYS A 66 0.803 -3.227 5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.217 -0.453 4.103 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.177 -0.771 5.534 1.00 0.00 H new ATOM 0 HG CYS A 66 2.966 -0.366 3.349 1.00 0.00 H new ATOM 1040 N ASP A 67 -1.926 -3.389 5.893 1.00 0.00 N ATOM 1041 CA ASP A 67 -3.084 -3.454 6.798 1.00 0.00 C ATOM 1042 C ASP A 67 -2.674 -3.433 8.282 1.00 0.00 C ATOM 1043 O ASP A 67 -3.355 -2.836 9.118 1.00 0.00 O ATOM 1044 CB ASP A 67 -3.865 -4.736 6.472 1.00 0.00 C ATOM 1045 CG ASP A 67 -5.058 -4.959 7.417 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -6.101 -4.289 7.237 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.955 -5.827 8.316 1.00 0.00 O ATOM 0 H ASP A 67 -1.896 -4.170 5.237 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.704 -2.571 6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.225 -4.686 5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.193 -5.592 6.533 1.00 0.00 H new ATOM 1052 N PHE A 68 -1.515 -4.028 8.587 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.916 -4.081 9.918 1.00 0.00 C ATOM 1054 C PHE A 68 -0.598 -2.698 10.529 1.00 0.00 C ATOM 1055 O PHE A 68 -0.376 -2.614 11.739 1.00 0.00 O ATOM 1056 CB PHE A 68 0.333 -4.976 9.853 1.00 0.00 C ATOM 1057 CG PHE A 68 1.399 -4.511 8.876 1.00 0.00 C ATOM 1058 CD1 PHE A 68 2.323 -3.522 9.263 1.00 0.00 C ATOM 1059 CD2 PHE A 68 1.463 -5.054 7.578 1.00 0.00 C ATOM 1060 CE1 PHE A 68 3.295 -3.073 8.353 1.00 0.00 C ATOM 1061 CE2 PHE A 68 2.435 -4.602 6.668 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.348 -3.605 7.053 1.00 0.00 C ATOM 0 H PHE A 68 -0.950 -4.503 7.883 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.655 -4.506 10.597 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.773 -5.035 10.848 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.026 -5.986 9.580 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.285 -3.108 10.260 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.763 -5.821 7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.004 -2.316 8.654 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.480 -5.021 5.674 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.088 -3.249 6.352 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.600 -1.615 9.735 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.424 -0.237 10.220 1.00 0.00 C ATOM 1074 C LEU A 69 -1.675 0.358 10.893 1.00 0.00 C ATOM 1075 O LEU A 69 -1.618 1.492 11.371 1.00 0.00 O ATOM 1076 CB LEU A 69 0.036 0.675 9.069 1.00 0.00 C ATOM 1077 CG LEU A 69 1.393 0.315 8.435 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.670 1.311 7.304 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.545 0.362 9.451 1.00 0.00 C ATOM 0 H LEU A 69 -0.726 -1.673 8.724 1.00 0.00 H new ATOM 0 HA LEU A 69 0.341 -0.288 10.994 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.725 0.657 8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.089 1.699 9.440 1.00 0.00 H new ATOM 0 HG LEU A 69 1.338 -0.707 8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.627 1.076 6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.878 1.244 6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.702 2.322 7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.479 0.100 8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.624 1.367 9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.350 -0.348 10.255 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.802 -0.357 10.935 1.00 0.00 N ATOM 1092 CA HIS A 70 -4.003 0.113 11.625 1.00 0.00 C ATOM 1093 C HIS A 70 -3.784 0.367 13.140 1.00 0.00 C ATOM 1094 O HIS A 70 -3.055 -0.360 13.826 1.00 0.00 O ATOM 1095 CB HIS A 70 -5.175 -0.857 11.377 1.00 0.00 C ATOM 1096 CG HIS A 70 -5.231 -2.053 12.300 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -6.119 -2.224 13.343 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -4.420 -3.157 12.283 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -5.847 -3.401 13.932 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -4.816 -4.013 13.321 1.00 0.00 N ATOM 0 H HIS A 70 -2.906 -1.271 10.495 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.252 1.085 11.200 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.109 -0.303 11.470 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.118 -1.215 10.349 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.613 -3.337 11.588 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.383 -3.801 14.780 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.406 -4.915 13.563 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.472 1.387 13.662 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.670 1.653 15.092 1.00 0.00 C ATOM 1110 C GLY A 71 -6.161 1.612 15.473 1.00 0.00 C ATOM 1111 O GLY A 71 -6.980 1.148 14.672 1.00 0.00 O ATOM 0 H GLY A 71 -4.928 2.083 13.072 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.123 0.915 15.679 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.256 2.630 15.342 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.544 2.130 16.657 1.00 0.00 N ATOM 1116 CA PRO A 72 -7.947 2.243 17.070 1.00 0.00 C ATOM 1117 C PRO A 72 -8.720 3.317 16.282 1.00 0.00 C ATOM 1118 O PRO A 72 -9.948 3.253 16.221 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.892 2.570 18.566 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.575 3.329 18.719 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.663 2.642 17.703 1.00 0.00 C ATOM 0 HA PRO A 72 -8.490 1.320 16.867 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.743 3.177 18.875 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.907 1.666 19.175 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.693 4.391 18.502 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.180 3.253 19.732 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.936 3.344 17.293 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.098 1.834 18.168 1.00 0.00 H new ATOM 1129 N ARG A 73 -8.020 4.283 15.661 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.603 5.387 14.880 1.00 0.00 C ATOM 1131 C ARG A 73 -8.700 5.073 13.369 1.00 0.00 C ATOM 1132 O ARG A 73 -9.122 5.928 12.585 1.00 0.00 O ATOM 1133 CB ARG A 73 -7.785 6.655 15.202 1.00 0.00 C ATOM 1134 CG ARG A 73 -8.457 7.973 14.772 1.00 0.00 C ATOM 1135 CD ARG A 73 -7.846 9.189 15.481 1.00 0.00 C ATOM 1136 NE ARG A 73 -8.249 9.243 16.902 1.00 0.00 N ATOM 1137 CZ ARG A 73 -7.630 9.880 17.892 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -6.512 10.551 17.707 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -8.142 9.850 19.102 1.00 0.00 N ATOM 0 H ARG A 73 -7.001 4.317 15.690 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.643 5.545 15.167 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.599 6.690 16.275 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.814 6.580 14.713 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.358 8.095 13.693 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.524 7.924 14.991 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.759 9.145 15.411 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.161 10.103 14.977 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.097 8.735 17.152 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.091 10.595 16.779 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.067 11.027 18.492 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.008 9.341 19.277 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.673 10.336 19.866 1.00 0.00 H new ATOM 1153 N THR A 74 -8.305 3.863 12.944 1.00 0.00 N ATOM 1154 CA THR A 74 -8.374 3.382 11.549 1.00 0.00 C ATOM 1155 C THR A 74 -9.771 2.833 11.253 1.00 0.00 C ATOM 1156 O THR A 74 -10.333 2.099 12.065 1.00 0.00 O ATOM 1157 CB THR A 74 -7.304 2.312 11.293 1.00 0.00 C ATOM 1158 OG1 THR A 74 -6.057 2.819 11.698 1.00 0.00 O ATOM 1159 CG2 THR A 74 -7.193 1.941 9.817 1.00 0.00 C ATOM 0 H THR A 74 -7.916 3.167 13.580 1.00 0.00 H new ATOM 0 HA THR A 74 -8.180 4.220 10.879 1.00 0.00 H new ATOM 0 HB THR A 74 -7.591 1.422 11.853 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.622 3.263 10.940 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.422 1.181 9.690 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.149 1.551 9.467 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.928 2.826 9.238 1.00 0.00 H new ATOM 1167 N GLN A 75 -10.322 3.167 10.082 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.651 2.723 9.643 1.00 0.00 C ATOM 1169 C GLN A 75 -11.507 1.496 8.734 1.00 0.00 C ATOM 1170 O GLN A 75 -10.848 1.558 7.692 1.00 0.00 O ATOM 1171 CB GLN A 75 -12.377 3.879 8.915 1.00 0.00 C ATOM 1172 CG GLN A 75 -13.082 4.874 9.860 1.00 0.00 C ATOM 1173 CD GLN A 75 -12.178 5.451 10.953 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -12.292 5.117 12.126 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -11.223 6.297 10.620 1.00 0.00 N ATOM 0 H GLN A 75 -9.851 3.763 9.401 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.251 2.440 10.508 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.654 4.422 8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.115 3.458 8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.487 5.695 9.268 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.928 4.373 10.331 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.114 6.586 9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.594 6.663 11.335 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.168 0.387 9.092 1.00 0.00 N ATOM 1185 CA ARG A 76 -12.078 -0.890 8.363 1.00 0.00 C ATOM 1186 C ARG A 76 -12.549 -0.776 6.901 1.00 0.00 C ATOM 1187 O ARG A 76 -11.986 -1.429 6.023 1.00 0.00 O ATOM 1188 CB ARG A 76 -12.865 -1.961 9.149 1.00 0.00 C ATOM 1189 CG ARG A 76 -12.641 -3.412 8.687 1.00 0.00 C ATOM 1190 CD ARG A 76 -11.193 -3.889 8.876 1.00 0.00 C ATOM 1191 NE ARG A 76 -11.058 -5.330 8.589 1.00 0.00 N ATOM 1192 CZ ARG A 76 -11.253 -6.337 9.435 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -11.631 -6.148 10.685 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -11.069 -7.575 9.027 1.00 0.00 N ATOM 0 H ARG A 76 -12.786 0.348 9.902 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.031 -1.185 8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.595 -1.887 10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.929 -1.734 9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.309 -4.071 9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.911 -3.497 7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.533 -3.322 8.219 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.873 -3.689 9.899 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.786 -5.581 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.784 -5.202 11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.770 -6.948 11.302 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.778 -7.758 8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.217 -8.352 9.671 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.501 0.123 6.612 1.00 0.00 N ATOM 1209 CA ARG A 77 -13.968 0.449 5.250 1.00 0.00 C ATOM 1210 C ARG A 77 -12.827 0.915 4.333 1.00 0.00 C ATOM 1211 O ARG A 77 -12.741 0.482 3.188 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.076 1.518 5.352 1.00 0.00 C ATOM 1213 CG ARG A 77 -15.795 1.842 4.027 1.00 0.00 C ATOM 1214 CD ARG A 77 -16.518 0.652 3.373 1.00 0.00 C ATOM 1215 NE ARG A 77 -17.539 0.059 4.261 1.00 0.00 N ATOM 1216 CZ ARG A 77 -18.770 0.512 4.486 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -19.238 1.602 3.912 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -19.562 -0.140 5.310 1.00 0.00 N ATOM 0 H ARG A 77 -13.982 0.659 7.335 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.366 -0.457 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.817 1.183 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.639 2.436 5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.522 2.634 4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.064 2.236 3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.991 0.981 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.787 -0.110 3.103 1.00 0.00 H new ATOM 0 HE ARG A 77 -17.271 -0.791 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.650 2.132 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.188 1.916 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.231 -0.987 5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.507 0.202 5.487 1.00 0.00 H new ATOM 1232 N ALA A 78 -11.906 1.741 4.834 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.743 2.201 4.067 1.00 0.00 C ATOM 1234 C ALA A 78 -9.699 1.084 3.878 1.00 0.00 C ATOM 1235 O ALA A 78 -9.223 0.866 2.767 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.170 3.427 4.780 1.00 0.00 C ATOM 0 H ALA A 78 -11.944 2.111 5.784 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.046 2.477 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.302 3.794 4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.928 4.209 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.872 3.153 5.792 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.410 0.307 4.928 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.524 -0.864 4.834 1.00 0.00 C ATOM 1244 C ALA A 79 -9.028 -1.890 3.796 1.00 0.00 C ATOM 1245 O ALA A 79 -8.242 -2.463 3.040 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.401 -1.482 6.233 1.00 0.00 C ATOM 0 H ALA A 79 -9.781 0.469 5.864 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.541 -0.550 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.748 -2.354 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.981 -0.747 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.387 -1.785 6.585 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.353 -2.047 3.705 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.038 -2.858 2.701 1.00 0.00 C ATOM 1254 C ALA A 80 -10.927 -2.252 1.303 1.00 0.00 C ATOM 1255 O ALA A 80 -10.581 -2.959 0.365 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.510 -2.970 3.102 1.00 0.00 C ATOM 0 H ALA A 80 -10.998 -1.595 4.353 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.567 -3.840 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.043 -3.572 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.585 -3.443 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.952 -1.975 3.145 1.00 0.00 H new ATOM 1262 N GLN A 81 -11.194 -0.952 1.150 1.00 0.00 N ATOM 1263 CA GLN A 81 -11.117 -0.258 -0.138 1.00 0.00 C ATOM 1264 C GLN A 81 -9.713 -0.366 -0.759 1.00 0.00 C ATOM 1265 O GLN A 81 -9.618 -0.575 -1.965 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.567 1.201 0.046 1.00 0.00 C ATOM 1267 CG GLN A 81 -13.088 1.371 0.212 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.728 2.022 -1.016 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -14.003 1.385 -2.027 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -13.943 3.323 -0.994 1.00 0.00 N ATOM 0 H GLN A 81 -11.472 -0.347 1.923 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.792 -0.740 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.068 1.617 0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.239 1.783 -0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.545 0.397 0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.291 1.980 1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.718 3.863 -0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.334 3.789 -1.813 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.627 -0.324 0.032 1.00 0.00 N ATOM 1280 CA ILE A 82 -7.263 -0.612 -0.477 1.00 0.00 C ATOM 1281 C ILE A 82 -7.159 -2.032 -1.065 1.00 0.00 C ATOM 1282 O ILE A 82 -6.577 -2.206 -2.134 1.00 0.00 O ATOM 1283 CB ILE A 82 -6.211 -0.356 0.634 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -6.152 1.157 0.936 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.810 -0.857 0.229 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.358 1.537 2.185 1.00 0.00 C ATOM 0 H ILE A 82 -8.661 -0.094 1.025 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.052 0.071 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.515 -0.911 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.715 1.667 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.170 1.530 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.105 -0.658 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.848 -1.929 0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.485 -0.339 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.375 2.619 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.805 1.062 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.327 1.201 2.077 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.749 -3.039 -0.414 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.775 -4.420 -0.912 1.00 0.00 C ATOM 1300 C ALA A 83 -8.711 -4.603 -2.128 1.00 0.00 C ATOM 1301 O ALA A 83 -8.392 -5.368 -3.038 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.153 -5.349 0.250 1.00 0.00 C ATOM 0 H ALA A 83 -8.226 -2.919 0.480 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.782 -4.678 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.177 -6.380 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.415 -5.255 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.136 -5.073 0.632 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.838 -3.882 -2.179 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.756 -3.874 -3.325 1.00 0.00 C ATOM 1310 C GLN A 84 -10.125 -3.201 -4.553 1.00 0.00 C ATOM 1311 O GLN A 84 -10.381 -3.635 -5.675 1.00 0.00 O ATOM 1312 CB GLN A 84 -12.077 -3.161 -2.966 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.948 -3.863 -1.909 1.00 0.00 C ATOM 1314 CD GLN A 84 -13.459 -5.233 -2.360 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -14.341 -5.353 -3.202 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -12.924 -6.316 -1.831 1.00 0.00 N ATOM 0 H GLN A 84 -10.142 -3.279 -1.414 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.965 -4.914 -3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.842 -2.158 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.665 -3.045 -3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.370 -3.982 -0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.799 -3.226 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.189 -6.231 -1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.245 -7.239 -2.124 1.00 0.00 H new ATOM 1325 N ALA A 85 -9.264 -2.188 -4.374 1.00 0.00 N ATOM 1326 CA ALA A 85 -8.591 -1.503 -5.482 1.00 0.00 C ATOM 1327 C ALA A 85 -7.718 -2.450 -6.338 1.00 0.00 C ATOM 1328 O ALA A 85 -7.547 -2.223 -7.537 1.00 0.00 O ATOM 1329 CB ALA A 85 -7.756 -0.351 -4.918 1.00 0.00 C ATOM 0 H ALA A 85 -9.016 -1.822 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.358 -1.118 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.251 0.166 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.408 0.348 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.014 -0.745 -4.224 1.00 0.00 H new ATOM 1335 N LEU A 86 -7.206 -3.530 -5.733 1.00 0.00 N ATOM 1336 CA LEU A 86 -6.399 -4.574 -6.382 1.00 0.00 C ATOM 1337 C LEU A 86 -7.226 -5.493 -7.306 1.00 0.00 C ATOM 1338 O LEU A 86 -6.652 -6.221 -8.117 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.691 -5.410 -5.294 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.831 -4.611 -4.290 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -4.358 -5.539 -3.164 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.619 -3.951 -4.963 1.00 0.00 C ATOM 0 H LEU A 86 -7.348 -3.708 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.669 -4.076 -7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.447 -5.963 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.054 -6.146 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.453 -3.814 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.751 -4.973 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.223 -5.955 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.763 -6.349 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.044 -3.401 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.989 -4.719 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.962 -3.264 -5.737 1.00 0.00 H new ATOM 1354 N LEU A 87 -8.564 -5.468 -7.204 1.00 0.00 N ATOM 1355 CA LEU A 87 -9.472 -6.201 -8.099 1.00 0.00 C ATOM 1356 C LEU A 87 -9.719 -5.451 -9.422 1.00 0.00 C ATOM 1357 O LEU A 87 -10.133 -6.067 -10.408 1.00 0.00 O ATOM 1358 CB LEU A 87 -10.811 -6.462 -7.377 1.00 0.00 C ATOM 1359 CG LEU A 87 -10.713 -7.179 -6.013 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -12.117 -7.305 -5.407 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -10.074 -8.570 -6.133 1.00 0.00 C ATOM 0 H LEU A 87 -9.052 -4.931 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.996 -7.148 -8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.314 -5.506 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.446 -7.057 -8.034 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.071 -6.581 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.053 -7.811 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.544 -6.312 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.753 -7.882 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.027 -9.035 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.675 -9.190 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.066 -8.474 -6.538 1.00 0.00 H new ATOM 1373 N GLY A 88 -9.475 -4.133 -9.451 1.00 0.00 N ATOM 1374 CA GLY A 88 -9.688 -3.260 -10.611 1.00 0.00 C ATOM 1375 C GLY A 88 -8.466 -3.163 -11.529 1.00 0.00 C ATOM 1376 O GLY A 88 -7.323 -3.278 -11.088 1.00 0.00 O ATOM 0 H GLY A 88 -9.112 -3.630 -8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.537 -3.631 -11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.952 -2.262 -10.262 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.721 -2.893 -12.814 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.700 -2.682 -13.853 1.00 0.00 C ATOM 1382 C ALA A 89 -7.367 -1.189 -14.098 1.00 0.00 C ATOM 1383 O ALA A 89 -6.654 -0.864 -15.048 1.00 0.00 O ATOM 1384 CB ALA A 89 -8.192 -3.385 -15.127 1.00 0.00 C ATOM 0 H ALA A 89 -9.672 -2.812 -13.173 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.755 -3.111 -13.520 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.459 -3.251 -15.923 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.321 -4.449 -14.929 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.145 -2.955 -15.435 1.00 0.00 H new ATOM 1390 N GLU A 90 -7.893 -0.285 -13.262 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.754 1.174 -13.366 1.00 0.00 C ATOM 1392 C GLU A 90 -7.224 1.801 -12.059 1.00 0.00 C ATOM 1393 O GLU A 90 -7.254 1.179 -10.994 1.00 0.00 O ATOM 1394 CB GLU A 90 -9.094 1.799 -13.802 1.00 0.00 C ATOM 1395 CG GLU A 90 -10.239 1.631 -12.790 1.00 0.00 C ATOM 1396 CD GLU A 90 -11.543 2.216 -13.349 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -11.782 3.439 -13.202 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -12.349 1.457 -13.941 1.00 0.00 O ATOM 0 H GLU A 90 -8.454 -0.564 -12.457 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.007 1.392 -14.130 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.941 2.863 -13.984 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.396 1.353 -14.750 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.377 0.574 -12.561 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.982 2.129 -11.855 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.720 3.036 -12.149 1.00 0.00 N ATOM 1406 CA GLU A 91 -6.155 3.792 -11.022 1.00 0.00 C ATOM 1407 C GLU A 91 -7.212 4.105 -9.948 1.00 0.00 C ATOM 1408 O GLU A 91 -8.367 4.419 -10.258 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.508 5.076 -11.575 1.00 0.00 C ATOM 1410 CG GLU A 91 -4.713 5.887 -10.548 1.00 0.00 C ATOM 1411 CD GLU A 91 -4.190 7.187 -11.180 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -3.205 7.142 -11.956 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -4.779 8.266 -10.929 1.00 0.00 O ATOM 0 H GLU A 91 -6.692 3.552 -13.028 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.398 3.185 -10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.845 4.807 -12.397 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.291 5.710 -11.991 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.345 6.120 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.877 5.295 -10.175 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.799 4.031 -8.676 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.668 4.160 -7.499 1.00 0.00 C ATOM 1422 C ARG A 92 -6.885 4.703 -6.310 1.00 0.00 C ATOM 1423 O ARG A 92 -5.794 4.213 -6.026 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.224 2.766 -7.152 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.317 2.722 -6.068 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.542 3.590 -6.385 1.00 0.00 C ATOM 1427 NE ARG A 92 -11.729 3.115 -5.646 1.00 0.00 N ATOM 1428 CZ ARG A 92 -13.004 3.287 -5.987 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -13.358 3.990 -7.045 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -13.956 2.743 -5.261 1.00 0.00 N ATOM 0 H ARG A 92 -5.821 3.875 -8.430 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.479 4.853 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.626 2.321 -8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.395 2.137 -6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.640 1.690 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.888 3.048 -5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.336 4.627 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.742 3.567 -7.456 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.553 2.601 -4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.645 4.423 -7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.345 4.101 -7.277 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.717 2.190 -4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.934 2.874 -5.521 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.465 5.623 -5.539 1.00 0.00 N ATOM 1445 CA LYS A 93 -6.910 6.038 -4.246 1.00 0.00 C ATOM 1446 C LYS A 93 -7.913 6.008 -3.083 1.00 0.00 C ATOM 1447 O LYS A 93 -9.115 6.192 -3.266 1.00 0.00 O ATOM 1448 CB LYS A 93 -6.128 7.336 -4.400 1.00 0.00 C ATOM 1449 CG LYS A 93 -6.990 8.541 -4.738 1.00 0.00 C ATOM 1450 CD LYS A 93 -6.053 9.694 -5.082 1.00 0.00 C ATOM 1451 CE LYS A 93 -5.514 9.555 -6.515 1.00 0.00 C ATOM 1452 NZ LYS A 93 -4.694 10.727 -6.927 1.00 0.00 N ATOM 0 H LYS A 93 -8.330 6.102 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.194 5.278 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.590 7.536 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.380 7.207 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.648 8.318 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.628 8.804 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.582 10.641 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.222 9.715 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.912 8.649 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.350 9.438 -7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.353 10.587 -7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.274 11.589 -6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.881 10.825 -6.286 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.385 5.721 -1.891 1.00 0.00 N ATOM 1467 CA VAL A 94 -8.133 5.459 -0.643 1.00 0.00 C ATOM 1468 C VAL A 94 -7.407 6.156 0.504 1.00 0.00 C ATOM 1469 O VAL A 94 -6.179 6.103 0.584 1.00 0.00 O ATOM 1470 CB VAL A 94 -8.268 3.939 -0.353 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -9.083 3.687 0.919 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.907 3.222 -1.539 1.00 0.00 C ATOM 0 H VAL A 94 -6.376 5.660 -1.755 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.145 5.849 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.266 3.540 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.160 2.614 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.588 4.160 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.082 4.108 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.993 2.158 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.898 3.636 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.286 3.359 -2.424 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.170 6.824 1.367 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.645 7.608 2.483 1.00 0.00 C ATOM 1484 C GLU A 95 -7.846 6.870 3.817 1.00 0.00 C ATOM 1485 O GLU A 95 -8.949 6.407 4.108 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.346 8.974 2.477 1.00 0.00 C ATOM 1487 CG GLU A 95 -7.725 9.971 3.454 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.492 11.302 3.408 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.320 12.074 2.435 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.290 11.579 4.335 1.00 0.00 O ATOM 0 H GLU A 95 -9.188 6.836 1.309 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.571 7.752 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.309 9.390 1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.398 8.837 2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.748 9.564 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.678 10.137 3.200 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.789 6.749 4.630 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.753 5.864 5.811 1.00 0.00 C ATOM 1499 C ILE A 96 -5.793 6.381 6.895 1.00 0.00 C ATOM 1500 O ILE A 96 -4.766 6.977 6.584 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.407 4.421 5.345 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.528 3.416 6.510 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.030 4.332 4.657 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.482 1.948 6.077 1.00 0.00 C ATOM 0 H ILE A 96 -5.922 7.267 4.488 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.736 5.854 6.282 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.143 4.149 4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.721 3.600 7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.464 3.599 7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.841 3.302 4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.020 4.978 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.254 4.653 5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.573 1.307 6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.305 1.745 5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.535 1.746 5.577 1.00 0.00 H new ATOM 1516 N ALA A 97 -6.091 6.151 8.178 1.00 0.00 N ATOM 1517 CA ALA A 97 -5.153 6.435 9.270 1.00 0.00 C ATOM 1518 C ALA A 97 -4.121 5.302 9.441 1.00 0.00 C ATOM 1519 O ALA A 97 -4.488 4.155 9.701 1.00 0.00 O ATOM 1520 CB ALA A 97 -5.938 6.722 10.554 1.00 0.00 C ATOM 0 H ALA A 97 -6.983 5.765 8.488 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.574 7.325 9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.242 6.933 11.366 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.587 7.584 10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.544 5.853 10.812 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.840 5.649 9.313 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.672 4.792 9.550 1.00 0.00 C ATOM 1528 C PHE A 98 -0.921 5.217 10.824 1.00 0.00 C ATOM 1529 O PHE A 98 -0.573 6.386 11.000 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.700 4.885 8.357 1.00 0.00 C ATOM 1531 CG PHE A 98 -1.005 4.102 7.088 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -2.137 3.268 6.966 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.083 4.169 6.025 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.321 2.494 5.805 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -0.278 3.410 4.857 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.396 2.567 4.750 1.00 0.00 C ATOM 0 H PHE A 98 -2.571 6.590 9.025 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.031 3.770 9.669 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.618 5.937 8.082 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.282 4.570 8.709 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.863 3.224 7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.782 4.810 6.108 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.177 1.841 5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.430 3.475 4.044 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.545 1.976 3.858 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.596 4.247 11.683 1.00 0.00 N ATOM 1547 CA TYR A 99 0.339 4.447 12.797 1.00 0.00 C ATOM 1548 C TYR A 99 1.815 4.427 12.329 1.00 0.00 C ATOM 1549 O TYR A 99 2.135 3.917 11.250 1.00 0.00 O ATOM 1550 CB TYR A 99 0.035 3.449 13.936 1.00 0.00 C ATOM 1551 CG TYR A 99 1.079 2.376 14.201 1.00 0.00 C ATOM 1552 CD1 TYR A 99 1.420 1.452 13.195 1.00 0.00 C ATOM 1553 CD2 TYR A 99 1.728 2.317 15.451 1.00 0.00 C ATOM 1554 CE1 TYR A 99 2.411 0.481 13.428 1.00 0.00 C ATOM 1555 CE2 TYR A 99 2.714 1.342 15.694 1.00 0.00 C ATOM 1556 CZ TYR A 99 3.062 0.424 14.680 1.00 0.00 C ATOM 1557 OH TYR A 99 4.026 -0.514 14.907 1.00 0.00 O ATOM 0 H TYR A 99 -0.973 3.301 11.627 1.00 0.00 H new ATOM 0 HA TYR A 99 0.189 5.447 13.204 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.111 4.016 14.855 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.911 2.956 13.712 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.918 1.489 12.239 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.468 3.023 16.226 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.674 -0.220 12.650 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.204 1.297 16.656 1.00 0.00 H new ATOM 0 HH TYR A 99 4.372 -0.413 15.818 1.00 0.00 H new ATOM 1567 N ARG A 100 2.717 4.955 13.165 1.00 0.00 N ATOM 1568 CA ARG A 100 4.176 4.914 12.992 1.00 0.00 C ATOM 1569 C ARG A 100 4.826 4.090 14.115 1.00 0.00 C ATOM 1570 O ARG A 100 4.373 4.143 15.255 1.00 0.00 O ATOM 1571 CB ARG A 100 4.699 6.364 12.975 1.00 0.00 C ATOM 1572 CG ARG A 100 6.149 6.480 12.475 1.00 0.00 C ATOM 1573 CD ARG A 100 6.613 7.920 12.228 1.00 0.00 C ATOM 1574 NE ARG A 100 6.652 8.717 13.469 1.00 0.00 N ATOM 1575 CZ ARG A 100 7.468 9.730 13.740 1.00 0.00 C ATOM 1576 NH1 ARG A 100 8.389 10.139 12.891 1.00 0.00 N ATOM 1577 NH2 ARG A 100 7.361 10.359 14.889 1.00 0.00 N ATOM 0 H ARG A 100 2.440 5.443 14.017 1.00 0.00 H new ATOM 0 HA ARG A 100 4.435 4.428 12.051 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.053 6.969 12.339 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.634 6.778 13.981 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.812 6.016 13.205 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.249 5.914 11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.605 7.907 11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.943 8.398 11.513 1.00 0.00 H new ATOM 0 HE ARG A 100 5.982 8.464 14.195 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.494 9.674 11.989 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.997 10.921 13.135 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.655 10.069 15.566 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.984 11.138 15.104 1.00 0.00 H new ATOM 1591 N LYS A 101 5.936 3.395 13.833 1.00 0.00 N ATOM 1592 CA LYS A 101 6.696 2.583 14.816 1.00 0.00 C ATOM 1593 C LYS A 101 7.154 3.366 16.070 1.00 0.00 C ATOM 1594 O LYS A 101 7.328 2.778 17.139 1.00 0.00 O ATOM 1595 CB LYS A 101 7.916 1.932 14.120 1.00 0.00 C ATOM 1596 CG LYS A 101 7.721 0.462 13.723 1.00 0.00 C ATOM 1597 CD LYS A 101 6.812 0.286 12.498 1.00 0.00 C ATOM 1598 CE LYS A 101 6.631 -1.189 12.098 1.00 0.00 C ATOM 1599 NZ LYS A 101 5.954 -2.010 13.146 1.00 0.00 N ATOM 0 H LYS A 101 6.346 3.376 12.899 1.00 0.00 H new ATOM 0 HA LYS A 101 6.007 1.821 15.179 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.156 2.507 13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.777 2.003 14.785 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.693 0.016 13.514 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.295 -0.083 14.566 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.836 0.723 12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.232 0.837 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.051 -1.239 11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.608 -1.622 11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.419 -2.778 12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.668 -2.415 13.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.303 -1.409 13.691 1.00 0.00 H new ATOM 1613 N ASP A 102 7.305 4.691 15.958 1.00 0.00 N ATOM 1614 CA ASP A 102 7.590 5.618 17.067 1.00 0.00 C ATOM 1615 C ASP A 102 6.460 5.694 18.123 1.00 0.00 C ATOM 1616 O ASP A 102 6.690 6.152 19.245 1.00 0.00 O ATOM 1617 CB ASP A 102 7.835 7.004 16.451 1.00 0.00 C ATOM 1618 CG ASP A 102 8.259 8.058 17.488 1.00 0.00 C ATOM 1619 OD1 ASP A 102 9.387 7.950 18.027 1.00 0.00 O ATOM 1620 OD2 ASP A 102 7.476 9.005 17.734 1.00 0.00 O ATOM 0 H ASP A 102 7.230 5.168 15.060 1.00 0.00 H new ATOM 0 HA ASP A 102 8.463 5.250 17.606 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.608 6.924 15.686 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.926 7.339 15.952 1.00 0.00 H new ATOM 1625 N GLY A 103 5.247 5.243 17.774 1.00 0.00 N ATOM 1626 CA GLY A 103 4.034 5.311 18.599 1.00 0.00 C ATOM 1627 C GLY A 103 3.089 6.457 18.219 1.00 0.00 C ATOM 1628 O GLY A 103 2.083 6.660 18.899 1.00 0.00 O ATOM 0 H GLY A 103 5.078 4.802 16.870 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.496 4.367 18.516 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.323 5.422 19.644 1.00 0.00 H new ATOM 1632 N SER A 104 3.389 7.208 17.156 1.00 0.00 N ATOM 1633 CA SER A 104 2.533 8.287 16.634 1.00 0.00 C ATOM 1634 C SER A 104 1.571 7.798 15.525 1.00 0.00 C ATOM 1635 O SER A 104 1.549 6.613 15.177 1.00 0.00 O ATOM 1636 CB SER A 104 3.409 9.463 16.171 1.00 0.00 C ATOM 1637 OG SER A 104 4.190 9.139 15.025 1.00 0.00 O ATOM 0 H SER A 104 4.249 7.084 16.621 1.00 0.00 H new ATOM 0 HA SER A 104 1.888 8.633 17.442 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.773 10.319 15.944 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.069 9.763 16.985 1.00 0.00 H new ATOM 0 HG SER A 104 4.729 9.916 14.766 1.00 0.00 H new ATOM 1643 N CYS A 105 0.757 8.701 14.959 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.249 8.393 13.937 1.00 0.00 C ATOM 1645 C CYS A 105 -0.480 9.586 12.990 1.00 0.00 C ATOM 1646 O CYS A 105 -0.225 10.738 13.347 1.00 0.00 O ATOM 1647 CB CYS A 105 -1.530 7.940 14.663 1.00 0.00 C ATOM 1648 SG CYS A 105 -2.731 7.224 13.502 1.00 0.00 S ATOM 0 H CYS A 105 0.782 9.690 15.207 1.00 0.00 H new ATOM 0 HA CYS A 105 0.096 7.586 13.290 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.277 7.205 15.427 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.980 8.790 15.176 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.123 6.880 12.406 1.00 0.00 H new ATOM 1654 N PHE A 106 -0.972 9.303 11.785 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.292 10.267 10.731 1.00 0.00 C ATOM 1656 C PHE A 106 -2.244 9.647 9.702 1.00 0.00 C ATOM 1657 O PHE A 106 -2.398 8.431 9.619 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.003 10.765 10.050 1.00 0.00 C ATOM 1659 CG PHE A 106 0.903 9.665 9.514 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.599 9.012 8.302 1.00 0.00 C ATOM 1661 CD2 PHE A 106 2.048 9.283 10.239 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.433 7.985 7.823 1.00 0.00 C ATOM 1663 CE2 PHE A 106 2.880 8.257 9.758 1.00 0.00 C ATOM 1664 CZ PHE A 106 2.571 7.605 8.552 1.00 0.00 C ATOM 0 H PHE A 106 -1.169 8.343 11.501 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.794 11.121 11.185 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.276 11.425 9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.561 11.364 10.765 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.277 9.301 7.740 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.288 9.780 11.168 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.197 7.488 6.893 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.758 7.969 10.316 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.208 6.813 8.187 1.00 0.00 H new ATOM 1674 N LEU A 107 -2.862 10.487 8.876 1.00 0.00 N ATOM 1675 CA LEU A 107 -3.637 10.057 7.713 1.00 0.00 C ATOM 1676 C LEU A 107 -2.789 9.970 6.447 1.00 0.00 C ATOM 1677 O LEU A 107 -2.166 10.945 6.027 1.00 0.00 O ATOM 1678 CB LEU A 107 -4.834 10.998 7.544 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.059 10.497 8.336 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -6.399 11.447 9.480 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -7.254 10.241 7.417 1.00 0.00 C ATOM 0 H LEU A 107 -2.839 11.500 8.996 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.999 9.043 7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.564 11.998 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.090 11.078 6.487 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.801 9.538 8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.266 11.069 10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.550 11.517 10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.624 12.435 9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.099 9.889 8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.527 11.166 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.989 9.485 6.678 1.00 0.00 H new ATOM 1693 N CYS A 108 -2.835 8.803 5.812 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.215 8.479 4.535 1.00 0.00 C ATOM 1695 C CYS A 108 -3.269 8.415 3.415 1.00 0.00 C ATOM 1696 O CYS A 108 -4.324 7.790 3.561 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.504 7.129 4.709 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.593 6.726 3.194 1.00 0.00 S ATOM 0 H CYS A 108 -3.340 8.008 6.203 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.500 9.249 4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.820 7.173 5.557 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.232 6.348 4.927 1.00 0.00 H new ATOM 0 HG CYS A 108 -0.223 5.480 3.229 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.965 9.015 2.266 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.614 8.744 0.989 1.00 0.00 C ATOM 1706 C LEU A 109 -2.786 7.680 0.261 1.00 0.00 C ATOM 1707 O LEU A 109 -1.653 7.951 -0.134 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.705 10.066 0.198 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.504 9.997 -1.122 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -5.961 9.563 -0.906 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -4.475 11.390 -1.769 1.00 0.00 C ATOM 0 H LEU A 109 -2.237 9.726 2.198 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.628 8.363 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.160 10.822 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.694 10.405 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.042 9.248 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -6.477 9.531 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.982 8.573 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.460 10.276 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.033 11.368 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.928 12.115 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.443 11.677 -1.969 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.359 6.486 0.095 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.774 5.392 -0.697 1.00 0.00 C ATOM 1725 C VAL A 110 -3.372 5.451 -2.100 1.00 0.00 C ATOM 1726 O VAL A 110 -4.587 5.321 -2.231 1.00 0.00 O ATOM 1727 CB VAL A 110 -3.046 4.009 -0.061 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.398 2.889 -0.890 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.530 3.944 1.388 1.00 0.00 C ATOM 0 H VAL A 110 -4.258 6.244 0.512 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.692 5.518 -0.731 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.127 3.866 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.603 1.926 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.810 2.898 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.321 3.048 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.738 2.958 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.455 4.124 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.032 4.704 1.987 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.554 5.632 -3.140 1.00 0.00 N ATOM 1740 CA ASP A 111 -2.954 5.604 -4.545 1.00 0.00 C ATOM 1741 C ASP A 111 -2.313 4.400 -5.237 1.00 0.00 C ATOM 1742 O ASP A 111 -1.088 4.305 -5.280 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.533 6.931 -5.194 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.752 6.977 -6.715 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -3.779 6.439 -7.191 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -1.922 7.606 -7.409 1.00 0.00 O ATOM 0 H ASP A 111 -1.557 5.809 -3.019 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.034 5.497 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.092 7.744 -4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.479 7.109 -4.983 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.135 3.492 -5.770 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.683 2.353 -6.579 1.00 0.00 C ATOM 1753 C VAL A 112 -2.744 2.722 -8.056 1.00 0.00 C ATOM 1754 O VAL A 112 -3.777 3.151 -8.567 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.433 1.033 -6.297 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -4.945 1.103 -6.420 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -2.939 -0.119 -7.177 1.00 0.00 C ATOM 0 H VAL A 112 -4.147 3.526 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.652 2.151 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.199 0.847 -5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.373 0.125 -6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -5.334 1.835 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -5.214 1.399 -7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.498 -1.024 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.088 0.135 -8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.878 -0.289 -6.992 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.619 2.513 -8.731 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.431 2.758 -10.158 1.00 0.00 C ATOM 1769 C VAL A 113 -1.153 1.394 -10.809 1.00 0.00 C ATOM 1770 O VAL A 113 -0.111 0.801 -10.514 1.00 0.00 O ATOM 1771 CB VAL A 113 -0.270 3.759 -10.368 1.00 0.00 C ATOM 1772 CG1 VAL A 113 0.009 3.976 -11.865 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.558 5.117 -9.707 1.00 0.00 C ATOM 0 H VAL A 113 -0.777 2.153 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.312 3.206 -10.617 1.00 0.00 H new ATOM 0 HB VAL A 113 0.609 3.321 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.829 4.684 -11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.280 3.026 -12.326 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.884 4.372 -12.348 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.282 5.790 -9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.462 5.547 -10.138 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.699 4.977 -8.635 1.00 0.00 H new ATOM 1783 N PRO A 114 -2.071 0.849 -11.632 1.00 0.00 N ATOM 1784 CA PRO A 114 -1.892 -0.456 -12.257 1.00 0.00 C ATOM 1785 C PRO A 114 -0.856 -0.364 -13.380 1.00 0.00 C ATOM 1786 O PRO A 114 -0.934 0.512 -14.241 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.273 -0.870 -12.774 1.00 0.00 C ATOM 1788 CG PRO A 114 -3.959 0.467 -13.042 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.386 1.385 -11.963 1.00 0.00 C ATOM 0 HA PRO A 114 -1.514 -1.201 -11.558 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.200 -1.474 -13.679 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.818 -1.462 -12.039 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.738 0.838 -14.043 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.043 0.384 -12.964 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.309 2.410 -12.324 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.031 1.404 -11.085 1.00 0.00 H new ATOM 1797 N VAL A 115 0.107 -1.285 -13.361 1.00 0.00 N ATOM 1798 CA VAL A 115 1.150 -1.407 -14.396 1.00 0.00 C ATOM 1799 C VAL A 115 0.778 -2.532 -15.358 1.00 0.00 C ATOM 1800 O VAL A 115 0.582 -3.674 -14.937 1.00 0.00 O ATOM 1801 CB VAL A 115 2.543 -1.680 -13.785 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.641 -1.790 -14.856 1.00 0.00 C ATOM 1803 CG2 VAL A 115 2.933 -0.584 -12.785 1.00 0.00 C ATOM 0 H VAL A 115 0.192 -1.980 -12.619 1.00 0.00 H new ATOM 0 HA VAL A 115 1.207 -0.458 -14.929 1.00 0.00 H new ATOM 0 HB VAL A 115 2.465 -2.638 -13.271 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.600 -1.982 -14.375 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.405 -2.609 -15.536 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.697 -0.857 -15.417 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.917 -0.803 -12.371 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.959 0.380 -13.293 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.200 -0.550 -11.979 1.00 0.00 H new ATOM 1813 N LYS A 116 0.721 -2.214 -16.654 1.00 0.00 N ATOM 1814 CA LYS A 116 0.504 -3.202 -17.715 1.00 0.00 C ATOM 1815 C LYS A 116 1.822 -3.705 -18.325 1.00 0.00 C ATOM 1816 O LYS A 116 2.826 -2.990 -18.377 1.00 0.00 O ATOM 1817 CB LYS A 116 -0.434 -2.661 -18.811 1.00 0.00 C ATOM 1818 CG LYS A 116 -1.733 -2.060 -18.252 1.00 0.00 C ATOM 1819 CD LYS A 116 -2.867 -2.046 -19.288 1.00 0.00 C ATOM 1820 CE LYS A 116 -3.656 -3.365 -19.257 1.00 0.00 C ATOM 1821 NZ LYS A 116 -4.868 -3.285 -20.125 1.00 0.00 N ATOM 0 H LYS A 116 0.825 -1.260 -16.999 1.00 0.00 H new ATOM 0 HA LYS A 116 0.018 -4.057 -17.244 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.092 -1.900 -19.388 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.682 -3.469 -19.500 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.049 -2.633 -17.380 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.542 -1.042 -17.913 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.538 -1.211 -19.087 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.453 -1.889 -20.284 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.018 -4.182 -19.592 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.952 -3.591 -18.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.722 -3.373 -19.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.881 -2.370 -20.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.847 -4.056 -20.823 1.00 0.00 H new ATOM 1835 N ASN A 117 1.799 -4.947 -18.807 1.00 0.00 N ATOM 1836 CA ASN A 117 2.901 -5.584 -19.528 1.00 0.00 C ATOM 1837 C ASN A 117 2.963 -5.121 -21.002 1.00 0.00 C ATOM 1838 O ASN A 117 2.200 -4.260 -21.448 1.00 0.00 O ATOM 1839 CB ASN A 117 2.758 -7.118 -19.372 1.00 0.00 C ATOM 1840 CG ASN A 117 1.467 -7.672 -19.967 1.00 0.00 C ATOM 1841 OD1 ASN A 117 0.820 -7.034 -20.777 1.00 0.00 O ATOM 1842 ND2 ASN A 117 1.024 -8.849 -19.592 1.00 0.00 N ATOM 0 H ASN A 117 0.988 -5.557 -18.703 1.00 0.00 H new ATOM 0 HA ASN A 117 3.857 -5.281 -19.101 1.00 0.00 H new ATOM 0 HB2 ASN A 117 3.608 -7.605 -19.851 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.800 -7.373 -18.313 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.153 -9.213 -19.978 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.551 -9.400 -18.914 1.00 0.00 H new ATOM 1849 N GLU A 118 3.851 -5.752 -21.770 1.00 0.00 N ATOM 1850 CA GLU A 118 4.007 -5.544 -23.218 1.00 0.00 C ATOM 1851 C GLU A 118 2.811 -6.035 -24.070 1.00 0.00 C ATOM 1852 O GLU A 118 2.702 -5.654 -25.237 1.00 0.00 O ATOM 1853 CB GLU A 118 5.316 -6.204 -23.687 1.00 0.00 C ATOM 1854 CG GLU A 118 5.382 -7.710 -23.387 1.00 0.00 C ATOM 1855 CD GLU A 118 6.638 -8.338 -24.010 1.00 0.00 C ATOM 1856 OE1 GLU A 118 7.704 -8.352 -23.345 1.00 0.00 O ATOM 1857 OE2 GLU A 118 6.574 -8.827 -25.160 1.00 0.00 O ATOM 0 H GLU A 118 4.502 -6.442 -21.396 1.00 0.00 H new ATOM 0 HA GLU A 118 4.041 -4.466 -23.375 1.00 0.00 H new ATOM 0 HB2 GLU A 118 5.428 -6.050 -24.760 1.00 0.00 H new ATOM 0 HB3 GLU A 118 6.158 -5.708 -23.204 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.387 -7.870 -22.309 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.492 -8.202 -23.779 1.00 0.00 H new ATOM 1864 N ASP A 119 1.908 -6.861 -23.518 1.00 0.00 N ATOM 1865 CA ASP A 119 0.728 -7.403 -24.219 1.00 0.00 C ATOM 1866 C ASP A 119 -0.563 -6.595 -23.953 1.00 0.00 C ATOM 1867 O ASP A 119 -1.535 -6.698 -24.706 1.00 0.00 O ATOM 1868 CB ASP A 119 0.552 -8.867 -23.785 1.00 0.00 C ATOM 1869 CG ASP A 119 -0.544 -9.594 -24.583 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -0.360 -9.803 -25.807 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -1.572 -9.986 -23.980 1.00 0.00 O ATOM 0 H ASP A 119 1.977 -7.179 -22.551 1.00 0.00 H new ATOM 0 HA ASP A 119 0.901 -7.331 -25.293 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.497 -9.395 -23.910 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.306 -8.900 -22.724 1.00 0.00 H new ATOM 1876 N GLY A 120 -0.573 -5.787 -22.886 1.00 0.00 N ATOM 1877 CA GLY A 120 -1.727 -5.031 -22.389 1.00 0.00 C ATOM 1878 C GLY A 120 -2.613 -5.828 -21.425 1.00 0.00 C ATOM 1879 O GLY A 120 -3.836 -5.720 -21.495 1.00 0.00 O ATOM 0 H GLY A 120 0.262 -5.636 -22.320 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.372 -4.132 -21.884 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.329 -4.704 -23.237 1.00 0.00 H new ATOM 1883 N ALA A 121 -2.011 -6.558 -20.478 1.00 0.00 N ATOM 1884 CA ALA A 121 -2.654 -7.063 -19.252 1.00 0.00 C ATOM 1885 C ALA A 121 -1.958 -6.477 -18.006 1.00 0.00 C ATOM 1886 O ALA A 121 -0.784 -6.118 -18.078 1.00 0.00 O ATOM 1887 CB ALA A 121 -2.608 -8.599 -19.252 1.00 0.00 C ATOM 0 H ALA A 121 -1.029 -6.824 -20.544 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.697 -6.748 -19.224 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.083 -8.977 -18.347 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.138 -8.979 -20.125 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.571 -8.932 -19.284 1.00 0.00 H new ATOM 1893 N VAL A 122 -2.659 -6.373 -16.872 1.00 0.00 N ATOM 1894 CA VAL A 122 -2.087 -5.863 -15.602 1.00 0.00 C ATOM 1895 C VAL A 122 -1.292 -6.981 -14.920 1.00 0.00 C ATOM 1896 O VAL A 122 -1.824 -8.067 -14.693 1.00 0.00 O ATOM 1897 CB VAL A 122 -3.163 -5.299 -14.636 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -2.545 -4.764 -13.330 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -3.952 -4.153 -15.290 1.00 0.00 C ATOM 0 H VAL A 122 -3.641 -6.638 -16.799 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.430 -5.030 -15.850 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.827 -6.132 -14.407 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.335 -4.379 -12.685 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.019 -5.571 -12.819 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.843 -3.963 -13.561 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.698 -3.779 -14.589 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.269 -3.347 -15.557 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.449 -4.520 -16.188 1.00 0.00 H new ATOM 1909 N ILE A 123 -0.024 -6.709 -14.584 1.00 0.00 N ATOM 1910 CA ILE A 123 0.888 -7.698 -13.953 1.00 0.00 C ATOM 1911 C ILE A 123 1.546 -7.209 -12.653 1.00 0.00 C ATOM 1912 O ILE A 123 1.889 -8.021 -11.796 1.00 0.00 O ATOM 1913 CB ILE A 123 1.940 -8.224 -14.960 1.00 0.00 C ATOM 1914 CG1 ILE A 123 3.144 -7.288 -15.226 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.292 -8.689 -16.279 1.00 0.00 C ATOM 1916 CD1 ILE A 123 2.847 -5.871 -15.723 1.00 0.00 C ATOM 0 H ILE A 123 0.408 -5.798 -14.738 1.00 0.00 H new ATOM 0 HA ILE A 123 0.250 -8.530 -13.657 1.00 0.00 H new ATOM 0 HB ILE A 123 2.372 -9.087 -14.454 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.716 -7.206 -14.302 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.790 -7.772 -15.959 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.065 -9.050 -16.957 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.585 -9.493 -16.074 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.767 -7.853 -16.741 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.783 -5.332 -15.865 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.310 -5.923 -16.670 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.235 -5.348 -14.988 1.00 0.00 H new ATOM 1928 N MET A 124 1.676 -5.894 -12.472 1.00 0.00 N ATOM 1929 CA MET A 124 2.137 -5.250 -11.229 1.00 0.00 C ATOM 1930 C MET A 124 1.250 -4.063 -10.827 1.00 0.00 C ATOM 1931 O MET A 124 0.598 -3.436 -11.660 1.00 0.00 O ATOM 1932 CB MET A 124 3.598 -4.791 -11.388 1.00 0.00 C ATOM 1933 CG MET A 124 4.585 -5.962 -11.432 1.00 0.00 C ATOM 1934 SD MET A 124 6.278 -5.480 -11.868 1.00 0.00 S ATOM 1935 CE MET A 124 6.075 -5.211 -13.648 1.00 0.00 C ATOM 0 H MET A 124 1.458 -5.221 -13.207 1.00 0.00 H new ATOM 0 HA MET A 124 2.069 -5.989 -10.431 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.693 -4.207 -12.303 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.859 -4.132 -10.560 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.596 -6.452 -10.458 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.230 -6.697 -12.154 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.610 -5.986 -14.196 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.016 -5.250 -13.903 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.477 -4.234 -13.916 1.00 0.00 H new ATOM 1945 N PHE A 125 1.279 -3.720 -9.541 1.00 0.00 N ATOM 1946 CA PHE A 125 0.689 -2.507 -8.970 1.00 0.00 C ATOM 1947 C PHE A 125 1.795 -1.647 -8.358 1.00 0.00 C ATOM 1948 O PHE A 125 2.652 -2.167 -7.651 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.324 -2.917 -7.890 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.565 -3.608 -8.418 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.473 -2.889 -9.217 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.829 -4.952 -8.093 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.638 -3.513 -9.696 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -2.999 -5.573 -8.569 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.895 -4.857 -9.380 1.00 0.00 C ATOM 0 H PHE A 125 1.733 -4.303 -8.837 1.00 0.00 H new ATOM 0 HA PHE A 125 0.183 -1.930 -9.744 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.170 -3.580 -7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.627 -2.027 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.275 -1.856 -9.463 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.134 -5.506 -7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.335 -2.959 -10.307 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.208 -6.601 -8.311 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.782 -5.341 -9.761 1.00 0.00 H new ATOM 1965 N ILE A 126 1.756 -0.332 -8.574 1.00 0.00 N ATOM 1966 CA ILE A 126 2.538 0.636 -7.783 1.00 0.00 C ATOM 1967 C ILE A 126 1.566 1.256 -6.785 1.00 0.00 C ATOM 1968 O ILE A 126 0.567 1.828 -7.218 1.00 0.00 O ATOM 1969 CB ILE A 126 3.190 1.729 -8.665 1.00 0.00 C ATOM 1970 CG1 ILE A 126 4.042 1.139 -9.809 1.00 0.00 C ATOM 1971 CG2 ILE A 126 4.053 2.658 -7.788 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.395 2.158 -10.899 1.00 0.00 C ATOM 0 H ILE A 126 1.184 0.098 -9.300 1.00 0.00 H new ATOM 0 HA ILE A 126 3.365 0.131 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 126 2.383 2.296 -9.129 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.963 0.732 -9.392 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.502 0.308 -10.262 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.510 3.426 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.426 3.131 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.834 2.075 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 126 4.994 1.673 -11.670 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.479 2.548 -11.343 1.00 0.00 H new ATOM 0 HD13 ILE A 126 4.963 2.978 -10.460 1.00 0.00 H new ATOM 1984 N LEU A 127 1.829 1.142 -5.484 1.00 0.00 N ATOM 1985 CA LEU A 127 1.070 1.826 -4.433 1.00 0.00 C ATOM 1986 C LEU A 127 1.935 2.983 -3.924 1.00 0.00 C ATOM 1987 O LEU A 127 3.124 2.796 -3.673 1.00 0.00 O ATOM 1988 CB LEU A 127 0.701 0.849 -3.296 1.00 0.00 C ATOM 1989 CG LEU A 127 -0.628 0.103 -3.545 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -0.498 -0.973 -4.633 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -1.132 -0.569 -2.264 1.00 0.00 C ATOM 0 H LEU A 127 2.587 0.563 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 127 0.128 2.210 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.503 0.120 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.630 1.401 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.338 0.860 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.459 -1.469 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.192 -0.508 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.249 -1.707 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.069 -1.087 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.390 -1.287 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.296 0.187 -1.497 1.00 0.00 H new ATOM 2003 N ASN A 128 1.355 4.174 -3.786 1.00 0.00 N ATOM 2004 CA ASN A 128 2.065 5.407 -3.432 1.00 0.00 C ATOM 2005 C ASN A 128 1.409 6.061 -2.209 1.00 0.00 C ATOM 2006 O ASN A 128 0.183 6.179 -2.175 1.00 0.00 O ATOM 2007 CB ASN A 128 2.074 6.407 -4.604 1.00 0.00 C ATOM 2008 CG ASN A 128 2.331 5.810 -5.988 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.414 5.927 -6.545 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.338 5.188 -6.601 1.00 0.00 N ATOM 0 H ASN A 128 0.354 4.314 -3.920 1.00 0.00 H new ATOM 0 HA ASN A 128 3.096 5.140 -3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 128 1.114 6.922 -4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.836 7.161 -4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.476 4.807 -7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.435 5.090 -6.138 1.00 0.00 H new ATOM 2017 N PHE A 129 2.205 6.473 -1.217 1.00 0.00 N ATOM 2018 CA PHE A 129 1.743 7.043 0.048 1.00 0.00 C ATOM 2019 C PHE A 129 2.018 8.555 0.097 1.00 0.00 C ATOM 2020 O PHE A 129 3.154 8.995 -0.085 1.00 0.00 O ATOM 2021 CB PHE A 129 2.446 6.319 1.215 1.00 0.00 C ATOM 2022 CG PHE A 129 2.292 4.804 1.318 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.249 4.107 0.672 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.217 4.082 2.097 1.00 0.00 C ATOM 2025 CE1 PHE A 129 1.142 2.709 0.796 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.104 2.686 2.226 1.00 0.00 C ATOM 2027 CZ PHE A 129 2.069 1.998 1.574 1.00 0.00 C ATOM 0 H PHE A 129 3.222 6.416 -1.277 1.00 0.00 H new ATOM 0 HA PHE A 129 0.666 6.902 0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.511 6.542 1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.083 6.755 2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.528 4.650 0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.018 4.604 2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.345 2.182 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.816 2.142 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 129 1.986 0.926 1.671 1.00 0.00 H new ATOM 2037 N GLU A 130 0.995 9.351 0.407 1.00 0.00 N ATOM 2038 CA GLU A 130 1.100 10.781 0.713 1.00 0.00 C ATOM 2039 C GLU A 130 0.470 11.002 2.095 1.00 0.00 C ATOM 2040 O GLU A 130 -0.646 10.544 2.327 1.00 0.00 O ATOM 2041 CB GLU A 130 0.321 11.609 -0.340 1.00 0.00 C ATOM 2042 CG GLU A 130 1.183 12.570 -1.164 1.00 0.00 C ATOM 2043 CD GLU A 130 2.120 11.893 -2.181 1.00 0.00 C ATOM 2044 OE1 GLU A 130 1.712 10.918 -2.860 1.00 0.00 O ATOM 2045 OE2 GLU A 130 3.253 12.406 -2.361 1.00 0.00 O ATOM 0 H GLU A 130 0.036 9.008 0.454 1.00 0.00 H new ATOM 0 HA GLU A 130 2.143 11.096 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.185 10.923 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.453 12.183 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 130 0.526 13.256 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.785 13.171 -0.482 1.00 0.00 H new ATOM 2052 N VAL A 131 1.128 11.718 3.008 1.00 0.00 N ATOM 2053 CA VAL A 131 0.510 12.083 4.300 1.00 0.00 C ATOM 2054 C VAL A 131 -0.435 13.262 4.064 1.00 0.00 C ATOM 2055 O VAL A 131 0.002 14.363 3.732 1.00 0.00 O ATOM 2056 CB VAL A 131 1.546 12.361 5.414 1.00 0.00 C ATOM 2057 CG1 VAL A 131 0.891 12.898 6.699 1.00 0.00 C ATOM 2058 CG2 VAL A 131 2.266 11.047 5.747 1.00 0.00 C ATOM 0 H VAL A 131 2.082 12.058 2.886 1.00 0.00 H new ATOM 0 HA VAL A 131 -0.059 11.231 4.673 1.00 0.00 H new ATOM 0 HB VAL A 131 2.238 13.120 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.659 13.078 7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.372 13.831 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.177 12.166 7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.001 11.224 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.539 10.311 6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.769 10.672 4.856 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.734 13.000 4.215 1.00 0.00 N ATOM 2069 CA VAL A 132 -2.818 13.957 3.920 1.00 0.00 C ATOM 2070 C VAL A 132 -3.179 14.833 5.130 1.00 0.00 C ATOM 2071 O VAL A 132 -3.667 15.948 4.954 1.00 0.00 O ATOM 2072 CB VAL A 132 -4.056 13.236 3.333 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -4.872 12.447 4.354 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.956 14.198 2.544 1.00 0.00 C ATOM 0 H VAL A 132 -2.076 12.100 4.552 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.442 14.639 3.158 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.643 12.497 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.719 11.975 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.244 11.680 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.236 13.122 5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.813 13.653 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.304 14.993 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.390 14.632 1.719 1.00 0.00 H new ATOM 2084 N MET A 133 -2.904 14.351 6.350 1.00 0.00 N ATOM 2085 CA MET A 133 -3.177 15.056 7.609 1.00 0.00 C ATOM 2086 C MET A 133 -2.341 14.462 8.754 1.00 0.00 C ATOM 2087 O MET A 133 -2.478 13.284 9.077 1.00 0.00 O ATOM 2088 CB MET A 133 -4.696 15.043 7.889 1.00 0.00 C ATOM 2089 CG MET A 133 -5.079 15.518 9.293 1.00 0.00 C ATOM 2090 SD MET A 133 -4.589 17.227 9.648 1.00 0.00 S ATOM 2091 CE MET A 133 -5.172 17.355 11.355 1.00 0.00 C ATOM 0 H MET A 133 -2.475 13.437 6.492 1.00 0.00 H new ATOM 0 HA MET A 133 -2.874 16.100 7.527 1.00 0.00 H new ATOM 0 HB2 MET A 133 -5.195 15.676 7.155 1.00 0.00 H new ATOM 0 HB3 MET A 133 -5.072 14.030 7.745 1.00 0.00 H new ATOM 0 HG2 MET A 133 -6.158 15.427 9.415 1.00 0.00 H new ATOM 0 HG3 MET A 133 -4.618 14.858 10.028 1.00 0.00 H new ATOM 0 HE1 MET A 133 -4.953 18.351 11.741 1.00 0.00 H new ATOM 0 HE2 MET A 133 -6.248 17.183 11.386 1.00 0.00 H new ATOM 0 HE3 MET A 133 -4.667 16.609 11.969 1.00 0.00 H new ATOM 2101 N GLU A 134 -1.478 15.268 9.374 1.00 0.00 N ATOM 2102 CA GLU A 134 -0.676 14.858 10.532 1.00 0.00 C ATOM 2103 C GLU A 134 -1.492 15.046 11.823 1.00 0.00 C ATOM 2104 O GLU A 134 -1.853 16.172 12.186 1.00 0.00 O ATOM 2105 CB GLU A 134 0.641 15.651 10.555 1.00 0.00 C ATOM 2106 CG GLU A 134 1.596 15.157 11.647 1.00 0.00 C ATOM 2107 CD GLU A 134 2.910 15.950 11.618 1.00 0.00 C ATOM 2108 OE1 GLU A 134 3.857 15.539 10.905 1.00 0.00 O ATOM 2109 OE2 GLU A 134 3.011 16.992 12.309 1.00 0.00 O ATOM 0 H GLU A 134 -1.313 16.232 9.086 1.00 0.00 H new ATOM 0 HA GLU A 134 -0.422 13.801 10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 134 1.129 15.569 9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 134 0.424 16.707 10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.124 15.261 12.624 1.00 0.00 H new ATOM 0 HG3 GLU A 134 1.802 14.096 11.504 1.00 0.00 H new ATOM 2116 N LYS A 135 -1.799 13.934 12.504 1.00 0.00 N ATOM 2117 CA LYS A 135 -2.646 13.887 13.711 1.00 0.00 C ATOM 2118 C LYS A 135 -1.873 14.128 15.020 1.00 0.00 C ATOM 2119 O LYS A 135 -2.477 14.710 15.953 1.00 0.00 O ATOM 2120 CB LYS A 135 -3.412 12.552 13.742 1.00 0.00 C ATOM 2121 CG LYS A 135 -4.439 12.403 12.600 1.00 0.00 C ATOM 2122 CD LYS A 135 -5.619 13.396 12.645 1.00 0.00 C ATOM 2123 CE LYS A 135 -6.439 13.293 13.941 1.00 0.00 C ATOM 2124 NZ LYS A 135 -7.608 14.220 13.935 1.00 0.00 N ATOM 2125 OXT LYS A 135 -0.683 13.750 15.131 1.00 0.00 O ATOM 0 H LYS A 135 -1.457 13.014 12.225 1.00 0.00 H new ATOM 0 HA LYS A 135 -3.352 14.715 13.647 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.697 11.731 13.686 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.928 12.461 14.698 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -3.921 12.522 11.649 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -4.837 11.389 12.621 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -5.237 14.412 12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -6.273 13.214 11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.789 12.269 14.069 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -5.800 13.520 14.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -8.135 14.120 14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -7.273 15.200 13.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -8.232 13.987 13.136 1.00 0.00 H new