USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 ASN : amide:sc= -0.105 K(o=-0.1,f=-0.71) USER MOD Single : A 23 SER OG : rot -120:sc= 0 USER MOD Single : A 24 MET CE :methyl 165:sc=-0.00859 (180deg=-0.438) USER MOD Single : A 25 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.006) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc=-0.00824 (180deg=-0.109) USER MOD Single : A 41 LYS NZ :NH3+ -132:sc= -1.54 (180deg=-3.85!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.366) USER MOD Single : A 48 GLN : amide:sc= -4.5 K(o=-4.5,f=-9.7!) USER MOD Single : A 50 THR OG1 : rot -99:sc= 1 USER MOD Single : A 54 CYS SG : rot 110:sc=-0.00588 USER MOD Single : A 55 ASN : amide:sc= -0.0614 X(o=-0.061,f=-0.37) USER MOD Single : A 56 MET CE :methyl -149:sc= -0.544 (180deg=-2.62!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.572 K(o=-0.57,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= -0.22 (180deg=-0.318) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.203 K(o=-0.2,f=-0.91) USER MOD Single : A 78 SER OG : rot -55:sc= 0.00969 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0.17 X(o=0.17,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.57) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 0.998 1.329 -11.714 1.00 0.00 N ATOM 247 CA ASP A 19 -0.302 1.417 -11.059 1.00 0.00 C ATOM 248 C ASP A 19 -0.155 1.921 -9.626 1.00 0.00 C ATOM 249 O ASP A 19 -0.992 2.678 -9.135 1.00 0.00 O ATOM 250 CB ASP A 19 -0.993 0.052 -11.064 1.00 0.00 C ATOM 251 CG ASP A 19 -1.602 -0.283 -12.411 1.00 0.00 C ATOM 252 OD1 ASP A 19 -0.835 -0.551 -13.360 1.00 0.00 O ATOM 253 OD2 ASP A 19 -2.846 -0.278 -12.516 1.00 0.00 O ATOM 0 HA ASP A 19 -0.914 2.128 -11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.271 -0.718 -10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.773 0.040 -10.303 1.00 0.00 H new ATOM 258 N PHE A 20 0.914 1.495 -8.961 1.00 0.00 N ATOM 259 CA PHE A 20 1.170 1.901 -7.584 1.00 0.00 C ATOM 260 C PHE A 20 1.450 3.399 -7.502 1.00 0.00 C ATOM 261 O PHE A 20 0.746 4.135 -6.811 1.00 0.00 O ATOM 262 CB PHE A 20 2.352 1.118 -7.010 1.00 0.00 C ATOM 263 CG PHE A 20 2.544 1.319 -5.534 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.262 2.403 -5.057 1.00 0.00 C ATOM 265 CD2 PHE A 20 2.007 0.423 -4.624 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.440 2.591 -3.699 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.182 0.606 -3.265 1.00 0.00 C ATOM 268 CZ PHE A 20 2.900 1.691 -2.802 1.00 0.00 C ATOM 0 H PHE A 20 1.617 0.869 -9.354 1.00 0.00 H new ATOM 0 HA PHE A 20 0.279 1.683 -6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.205 0.056 -7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.262 1.416 -7.531 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.688 3.110 -5.754 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.445 -0.428 -4.980 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.001 3.441 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.757 -0.099 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.039 1.835 -1.741 1.00 0.00 H new ATOM 278 N GLU A 21 2.483 3.842 -8.213 1.00 0.00 N ATOM 279 CA GLU A 21 2.856 5.251 -8.219 1.00 0.00 C ATOM 280 C GLU A 21 1.637 6.137 -8.457 1.00 0.00 C ATOM 281 O GLU A 21 1.587 7.278 -8.001 1.00 0.00 O ATOM 282 CB GLU A 21 3.911 5.517 -9.296 1.00 0.00 C ATOM 283 CG GLU A 21 5.315 5.106 -8.887 1.00 0.00 C ATOM 284 CD GLU A 21 6.386 5.951 -9.549 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.642 7.073 -9.063 1.00 0.00 O ATOM 286 OE2 GLU A 21 6.969 5.490 -10.553 1.00 0.00 O ATOM 0 H GLU A 21 3.075 3.246 -8.791 1.00 0.00 H new ATOM 0 HA GLU A 21 3.274 5.493 -7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.634 4.981 -10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.909 6.579 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.412 5.186 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.473 4.059 -9.145 1.00 0.00 H new ATOM 293 N ASN A 22 0.655 5.601 -9.175 1.00 0.00 N ATOM 294 CA ASN A 22 -0.565 6.342 -9.474 1.00 0.00 C ATOM 295 C ASN A 22 -1.471 6.417 -8.249 1.00 0.00 C ATOM 296 O ASN A 22 -1.905 7.498 -7.851 1.00 0.00 O ATOM 297 CB ASN A 22 -1.313 5.685 -10.636 1.00 0.00 C ATOM 298 CG ASN A 22 -0.592 5.855 -11.959 1.00 0.00 C ATOM 299 OD1 ASN A 22 -0.011 6.906 -12.231 1.00 0.00 O ATOM 300 ND2 ASN A 22 -0.625 4.818 -12.788 1.00 0.00 N ATOM 0 H ASN A 22 0.680 4.657 -9.560 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.284 7.356 -9.758 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.439 4.622 -10.428 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.311 6.116 -10.712 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.156 4.873 -13.692 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.119 3.967 -12.520 1.00 0.00 H new ATOM 307 N SER A 23 -1.751 5.262 -7.655 1.00 0.00 N ATOM 308 CA SER A 23 -2.607 5.196 -6.476 1.00 0.00 C ATOM 309 C SER A 23 -2.103 6.136 -5.385 1.00 0.00 C ATOM 310 O SER A 23 -2.845 6.982 -4.888 1.00 0.00 O ATOM 311 CB SER A 23 -2.668 3.763 -5.943 1.00 0.00 C ATOM 312 OG SER A 23 -3.447 2.937 -6.791 1.00 0.00 O ATOM 0 H SER A 23 -1.398 4.359 -7.971 1.00 0.00 H new ATOM 0 HA SER A 23 -3.609 5.510 -6.767 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.659 3.358 -5.862 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.093 3.763 -4.939 1.00 0.00 H new ATOM 0 HG SER A 23 -4.202 2.570 -6.286 1.00 0.00 H new ATOM 318 N MET A 24 -0.836 5.979 -5.018 1.00 0.00 N ATOM 319 CA MET A 24 -0.231 6.814 -3.986 1.00 0.00 C ATOM 320 C MET A 24 -0.374 8.293 -4.330 1.00 0.00 C ATOM 321 O MET A 24 -0.574 9.128 -3.449 1.00 0.00 O ATOM 322 CB MET A 24 1.248 6.459 -3.815 1.00 0.00 C ATOM 323 CG MET A 24 2.026 6.453 -5.121 1.00 0.00 C ATOM 324 SD MET A 24 3.759 6.899 -4.899 1.00 0.00 S ATOM 325 CE MET A 24 3.947 8.161 -6.157 1.00 0.00 C ATOM 0 H MET A 24 -0.208 5.282 -5.419 1.00 0.00 H new ATOM 0 HA MET A 24 -0.754 6.625 -3.048 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.708 7.172 -3.131 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.326 5.476 -3.350 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.965 5.462 -5.571 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.562 7.150 -5.819 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.866 8.719 -5.978 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.993 7.691 -7.140 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.096 8.841 -6.120 1.00 0.00 H new ATOM 335 N ASN A 25 -0.271 8.609 -5.617 1.00 0.00 N ATOM 336 CA ASN A 25 -0.389 9.988 -6.077 1.00 0.00 C ATOM 337 C ASN A 25 -1.776 10.546 -5.774 1.00 0.00 C ATOM 338 O ASN A 25 -1.909 11.634 -5.214 1.00 0.00 O ATOM 339 CB ASN A 25 -0.110 10.073 -7.579 1.00 0.00 C ATOM 340 CG ASN A 25 0.053 11.502 -8.057 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.308 12.409 -7.264 1.00 0.00 O ATOM 342 ND2 ASN A 25 -0.092 11.710 -9.361 1.00 0.00 N ATOM 0 H ASN A 25 -0.106 7.929 -6.359 1.00 0.00 H new ATOM 0 HA ASN A 25 0.349 10.587 -5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.794 9.510 -7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.927 9.601 -8.125 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.008 12.651 -9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.303 10.929 -9.982 1.00 0.00 H new ATOM 349 N GLN A 26 -2.806 9.793 -6.147 1.00 0.00 N ATOM 350 CA GLN A 26 -4.183 10.213 -5.915 1.00 0.00 C ATOM 351 C GLN A 26 -4.389 10.624 -4.461 1.00 0.00 C ATOM 352 O GLN A 26 -4.996 11.656 -4.176 1.00 0.00 O ATOM 353 CB GLN A 26 -5.150 9.086 -6.281 1.00 0.00 C ATOM 354 CG GLN A 26 -4.995 8.591 -7.710 1.00 0.00 C ATOM 355 CD GLN A 26 -6.047 7.567 -8.090 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.816 6.361 -8.001 1.00 0.00 O ATOM 357 NE2 GLN A 26 -7.210 8.044 -8.517 1.00 0.00 N ATOM 0 H GLN A 26 -2.713 8.889 -6.611 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.385 11.076 -6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.997 8.251 -5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.173 9.434 -6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.055 9.439 -8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.005 8.152 -7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.358 9.052 -8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.956 7.403 -8.787 1.00 0.00 H new ATOM 366 N VAL A 27 -3.879 9.809 -3.543 1.00 0.00 N ATOM 367 CA VAL A 27 -4.006 10.088 -2.117 1.00 0.00 C ATOM 368 C VAL A 27 -3.286 11.378 -1.743 1.00 0.00 C ATOM 369 O VAL A 27 -3.612 12.017 -0.743 1.00 0.00 O ATOM 370 CB VAL A 27 -3.444 8.934 -1.267 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.567 9.252 0.215 1.00 0.00 C ATOM 372 CG2 VAL A 27 -4.154 7.631 -1.602 1.00 0.00 C ATOM 0 H VAL A 27 -3.374 8.950 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.071 10.197 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.386 8.816 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.165 8.425 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.008 10.161 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.617 9.399 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.744 6.826 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.220 7.734 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.008 7.398 -2.657 1.00 0.00 H new ATOM 382 N LYS A 28 -2.304 11.757 -2.554 1.00 0.00 N ATOM 383 CA LYS A 28 -1.536 12.973 -2.311 1.00 0.00 C ATOM 384 C LYS A 28 -2.192 14.174 -2.984 1.00 0.00 C ATOM 385 O LYS A 28 -1.902 15.323 -2.647 1.00 0.00 O ATOM 386 CB LYS A 28 -0.104 12.807 -2.824 1.00 0.00 C ATOM 387 CG LYS A 28 0.705 11.781 -2.049 1.00 0.00 C ATOM 388 CD LYS A 28 2.198 12.027 -2.188 1.00 0.00 C ATOM 389 CE LYS A 28 2.730 11.491 -3.509 1.00 0.00 C ATOM 390 NZ LYS A 28 4.200 11.688 -3.635 1.00 0.00 N ATOM 0 H LYS A 28 -2.021 11.239 -3.386 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.512 13.149 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.135 12.515 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.404 13.770 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.426 11.817 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.465 10.780 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.400 13.096 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.725 11.550 -1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.498 10.429 -3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.224 11.992 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.524 11.310 -4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.420 12.703 -3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.685 11.189 -2.862 1.00 0.00 H new ATOM 519 N ASN A 36 -7.262 9.529 10.274 1.00 0.00 N ATOM 520 CA ASN A 36 -6.156 8.735 10.796 1.00 0.00 C ATOM 521 C ASN A 36 -6.400 7.246 10.571 1.00 0.00 C ATOM 522 O ASN A 36 -5.471 6.441 10.621 1.00 0.00 O ATOM 523 CB ASN A 36 -5.962 9.012 12.289 1.00 0.00 C ATOM 524 CG ASN A 36 -5.125 10.250 12.543 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.491 11.354 12.140 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.994 10.072 13.216 1.00 0.00 N ATOM 0 HA ASN A 36 -5.252 9.021 10.259 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.936 9.132 12.763 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.484 8.151 12.756 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.390 10.869 13.418 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.730 9.139 13.531 1.00 0.00 H new ATOM 533 N GLU A 37 -7.656 6.889 10.322 1.00 0.00 N ATOM 534 CA GLU A 37 -8.022 5.497 10.090 1.00 0.00 C ATOM 535 C GLU A 37 -7.372 4.970 8.813 1.00 0.00 C ATOM 536 O GLU A 37 -6.749 3.908 8.814 1.00 0.00 O ATOM 537 CB GLU A 37 -9.543 5.355 9.997 1.00 0.00 C ATOM 538 CG GLU A 37 -10.121 5.845 8.680 1.00 0.00 C ATOM 539 CD GLU A 37 -11.637 5.853 8.675 1.00 0.00 C ATOM 540 OE1 GLU A 37 -12.235 4.778 8.460 1.00 0.00 O ATOM 541 OE2 GLU A 37 -12.226 6.934 8.887 1.00 0.00 O ATOM 0 H GLU A 37 -8.437 7.544 10.276 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.660 4.907 10.932 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.811 4.307 10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.002 5.911 10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.756 6.852 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.762 5.209 7.871 1.00 0.00 H new ATOM 548 N VAL A 38 -7.523 5.719 7.726 1.00 0.00 N ATOM 549 CA VAL A 38 -6.951 5.329 6.443 1.00 0.00 C ATOM 550 C VAL A 38 -5.469 5.680 6.372 1.00 0.00 C ATOM 551 O VAL A 38 -4.655 4.892 5.890 1.00 0.00 O ATOM 552 CB VAL A 38 -7.685 6.009 5.272 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.731 7.516 5.473 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.017 5.659 3.950 1.00 0.00 C ATOM 0 H VAL A 38 -8.037 6.600 7.708 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.070 4.249 6.359 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.710 5.639 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.253 7.979 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.258 7.744 6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.715 7.907 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.548 6.148 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.982 5.999 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.042 4.579 3.804 1.00 0.00 H new ATOM 564 N LYS A 39 -5.124 6.868 6.857 1.00 0.00 N ATOM 565 CA LYS A 39 -3.740 7.325 6.851 1.00 0.00 C ATOM 566 C LYS A 39 -2.805 6.234 7.364 1.00 0.00 C ATOM 567 O LYS A 39 -1.604 6.252 7.089 1.00 0.00 O ATOM 568 CB LYS A 39 -3.592 8.583 7.711 1.00 0.00 C ATOM 569 CG LYS A 39 -4.279 9.804 7.124 1.00 0.00 C ATOM 570 CD LYS A 39 -4.747 10.757 8.211 1.00 0.00 C ATOM 571 CE LYS A 39 -4.789 12.193 7.713 1.00 0.00 C ATOM 572 NZ LYS A 39 -3.424 12.769 7.564 1.00 0.00 N ATOM 0 H LYS A 39 -5.785 7.532 7.260 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.466 7.561 5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.002 8.386 8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.532 8.801 7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.592 10.323 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.132 9.489 6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.738 10.461 8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.079 10.688 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.305 12.230 6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.366 12.802 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.491 13.803 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.854 12.532 8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.972 12.375 6.714 1.00 0.00 H new ATOM 586 N LEU A 40 -3.362 5.285 8.108 1.00 0.00 N ATOM 587 CA LEU A 40 -2.578 4.185 8.658 1.00 0.00 C ATOM 588 C LEU A 40 -2.570 2.993 7.706 1.00 0.00 C ATOM 589 O LEU A 40 -1.528 2.383 7.466 1.00 0.00 O ATOM 590 CB LEU A 40 -3.139 3.762 10.017 1.00 0.00 C ATOM 591 CG LEU A 40 -2.924 4.746 11.167 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.828 4.402 12.341 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.465 4.751 11.600 1.00 0.00 C ATOM 0 H LEU A 40 -4.354 5.255 8.344 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.553 4.531 8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.210 3.590 9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.689 2.808 10.292 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.182 5.745 10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.661 5.113 13.150 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.870 4.451 12.024 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.602 3.395 12.691 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.331 5.457 12.419 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.180 3.752 11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.837 5.047 10.760 1.00 0.00 H new ATOM 605 N LYS A 41 -3.739 2.668 7.163 1.00 0.00 N ATOM 606 CA LYS A 41 -3.867 1.552 6.234 1.00 0.00 C ATOM 607 C LYS A 41 -3.004 1.773 4.996 1.00 0.00 C ATOM 608 O LYS A 41 -2.551 0.817 4.364 1.00 0.00 O ATOM 609 CB LYS A 41 -5.330 1.370 5.822 1.00 0.00 C ATOM 610 CG LYS A 41 -5.724 2.184 4.602 1.00 0.00 C ATOM 611 CD LYS A 41 -7.148 1.882 4.167 1.00 0.00 C ATOM 612 CE LYS A 41 -8.070 1.699 5.363 1.00 0.00 C ATOM 613 NZ LYS A 41 -7.993 0.320 5.918 1.00 0.00 N ATOM 0 H LYS A 41 -4.611 3.162 7.351 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.523 0.650 6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.513 0.315 5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.972 1.650 6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.628 3.246 4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.039 1.968 3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.518 2.694 3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.159 0.979 3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.805 2.418 6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.097 1.914 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.954 -0.052 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.479 -0.293 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.492 0.340 6.829 1.00 0.00 H new ATOM 627 N LEU A 42 -2.778 3.037 4.656 1.00 0.00 N ATOM 628 CA LEU A 42 -1.967 3.383 3.494 1.00 0.00 C ATOM 629 C LEU A 42 -0.480 3.271 3.815 1.00 0.00 C ATOM 630 O LEU A 42 0.345 3.068 2.923 1.00 0.00 O ATOM 631 CB LEU A 42 -2.293 4.802 3.023 1.00 0.00 C ATOM 632 CG LEU A 42 -3.409 4.924 1.985 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.097 4.073 0.764 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.747 4.524 2.589 1.00 0.00 C ATOM 0 H LEU A 42 -3.145 3.839 5.168 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.202 2.679 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.567 5.398 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.387 5.242 2.607 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.473 5.966 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.902 4.172 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.161 4.407 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.004 3.029 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.529 4.617 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.696 3.491 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.976 5.177 3.432 1.00 0.00 H new ATOM 646 N TYR A 43 -0.145 3.403 5.093 1.00 0.00 N ATOM 647 CA TYR A 43 1.243 3.316 5.532 1.00 0.00 C ATOM 648 C TYR A 43 1.624 1.875 5.855 1.00 0.00 C ATOM 649 O TYR A 43 2.755 1.451 5.616 1.00 0.00 O ATOM 650 CB TYR A 43 1.468 4.201 6.759 1.00 0.00 C ATOM 651 CG TYR A 43 2.521 3.670 7.705 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.190 2.772 8.712 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.849 4.065 7.590 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.149 2.285 9.578 1.00 0.00 C ATOM 655 CE2 TYR A 43 4.815 3.581 8.450 1.00 0.00 C ATOM 656 CZ TYR A 43 4.460 2.692 9.443 1.00 0.00 C ATOM 657 OH TYR A 43 5.419 2.208 10.304 1.00 0.00 O ATOM 0 H TYR A 43 -0.815 3.571 5.843 1.00 0.00 H new ATOM 0 HA TYR A 43 1.877 3.666 4.717 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.758 5.198 6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.527 4.305 7.298 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.165 2.449 8.819 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.130 4.762 6.815 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.874 1.589 10.357 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.843 3.897 8.346 1.00 0.00 H new ATOM 0 HH TYR A 43 6.290 2.592 10.073 1.00 0.00 H new ATOM 667 N ALA A 44 0.671 1.125 6.398 1.00 0.00 N ATOM 668 CA ALA A 44 0.904 -0.270 6.751 1.00 0.00 C ATOM 669 C ALA A 44 1.381 -1.069 5.543 1.00 0.00 C ATOM 670 O ALA A 44 2.315 -1.866 5.643 1.00 0.00 O ATOM 671 CB ALA A 44 -0.362 -0.887 7.328 1.00 0.00 C ATOM 0 H ALA A 44 -0.270 1.460 6.603 1.00 0.00 H new ATOM 0 HA ALA A 44 1.688 -0.302 7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.174 -1.929 7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.659 -0.339 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.161 -0.836 6.589 1.00 0.00 H new ATOM 677 N LEU A 45 0.734 -0.853 4.404 1.00 0.00 N ATOM 678 CA LEU A 45 1.092 -1.555 3.176 1.00 0.00 C ATOM 679 C LEU A 45 2.389 -1.004 2.593 1.00 0.00 C ATOM 680 O LEU A 45 3.273 -1.763 2.193 1.00 0.00 O ATOM 681 CB LEU A 45 -0.035 -1.432 2.148 1.00 0.00 C ATOM 682 CG LEU A 45 -1.253 -2.328 2.378 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.819 -3.718 2.814 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.182 -1.708 3.411 1.00 0.00 C ATOM 0 H LEU A 45 -0.041 -0.198 4.304 1.00 0.00 H new ATOM 0 HA LEU A 45 1.242 -2.607 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.370 -0.395 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.374 -1.654 1.162 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.796 -2.419 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.699 -4.341 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.194 -4.164 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.252 -3.648 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.043 -2.358 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.649 -1.587 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.521 -0.734 3.058 1.00 0.00 H new ATOM 696 N TYR A 46 2.498 0.319 2.549 1.00 0.00 N ATOM 697 CA TYR A 46 3.687 0.971 2.015 1.00 0.00 C ATOM 698 C TYR A 46 4.956 0.332 2.572 1.00 0.00 C ATOM 699 O TYR A 46 5.801 -0.157 1.822 1.00 0.00 O ATOM 700 CB TYR A 46 3.668 2.464 2.347 1.00 0.00 C ATOM 701 CG TYR A 46 4.997 3.151 2.127 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.494 3.350 0.845 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.756 3.599 3.201 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.709 3.976 0.639 1.00 0.00 C ATOM 705 CE2 TYR A 46 6.971 4.227 3.004 1.00 0.00 C ATOM 706 CZ TYR A 46 7.443 4.413 1.721 1.00 0.00 C ATOM 707 OH TYR A 46 8.653 5.037 1.522 1.00 0.00 O ATOM 0 H TYR A 46 1.777 0.961 2.877 1.00 0.00 H new ATOM 0 HA TYR A 46 3.683 0.845 0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.910 2.954 1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.370 2.592 3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.921 3.010 -0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.390 3.454 4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.081 4.122 -0.364 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.548 4.570 3.850 1.00 0.00 H new ATOM 0 HH TYR A 46 9.040 5.283 2.388 1.00 0.00 H new ATOM 717 N LYS A 47 5.082 0.338 3.895 1.00 0.00 N ATOM 718 CA LYS A 47 6.245 -0.242 4.556 1.00 0.00 C ATOM 719 C LYS A 47 6.295 -1.752 4.342 1.00 0.00 C ATOM 720 O LYS A 47 7.315 -2.390 4.601 1.00 0.00 O ATOM 721 CB LYS A 47 6.215 0.070 6.053 1.00 0.00 C ATOM 722 CG LYS A 47 6.303 1.554 6.367 1.00 0.00 C ATOM 723 CD LYS A 47 7.709 2.088 6.150 1.00 0.00 C ATOM 724 CE LYS A 47 8.547 1.979 7.414 1.00 0.00 C ATOM 725 NZ LYS A 47 9.956 2.402 7.183 1.00 0.00 N ATOM 0 H LYS A 47 4.392 0.739 4.531 1.00 0.00 H new ATOM 0 HA LYS A 47 7.139 0.200 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.295 -0.329 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.043 -0.446 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.603 2.102 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.003 1.726 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.190 1.533 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.659 3.130 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.106 2.596 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.531 0.950 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.580 1.915 7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.238 2.156 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.036 3.430 7.317 1.00 0.00 H new ATOM 739 N GLN A 48 5.189 -2.315 3.867 1.00 0.00 N ATOM 740 CA GLN A 48 5.109 -3.749 3.618 1.00 0.00 C ATOM 741 C GLN A 48 5.571 -4.083 2.203 1.00 0.00 C ATOM 742 O GLN A 48 6.125 -5.154 1.957 1.00 0.00 O ATOM 743 CB GLN A 48 3.678 -4.246 3.830 1.00 0.00 C ATOM 744 CG GLN A 48 3.582 -5.747 4.050 1.00 0.00 C ATOM 745 CD GLN A 48 3.692 -6.131 5.513 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.499 -5.300 6.401 1.00 0.00 O ATOM 747 NE2 GLN A 48 4.005 -7.395 5.772 1.00 0.00 N ATOM 0 H GLN A 48 4.336 -1.800 3.647 1.00 0.00 H new ATOM 0 HA GLN A 48 5.769 -4.252 4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.248 -3.733 4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.076 -3.975 2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.633 -6.108 3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.372 -6.244 3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.156 -8.050 5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.094 -7.711 6.738 1.00 0.00 H new ATOM 756 N ALA A 49 5.340 -3.158 1.277 1.00 0.00 N ATOM 757 CA ALA A 49 5.734 -3.354 -0.113 1.00 0.00 C ATOM 758 C ALA A 49 7.045 -2.637 -0.418 1.00 0.00 C ATOM 759 O ALA A 49 7.428 -2.488 -1.578 1.00 0.00 O ATOM 760 CB ALA A 49 4.635 -2.868 -1.046 1.00 0.00 C ATOM 0 H ALA A 49 4.882 -2.266 1.464 1.00 0.00 H new ATOM 0 HA ALA A 49 5.888 -4.421 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.942 -3.020 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.720 -3.428 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.454 -1.807 -0.874 1.00 0.00 H new ATOM 766 N THR A 50 7.730 -2.193 0.632 1.00 0.00 N ATOM 767 CA THR A 50 8.997 -1.490 0.476 1.00 0.00 C ATOM 768 C THR A 50 10.036 -2.005 1.465 1.00 0.00 C ATOM 769 O THR A 50 11.204 -2.178 1.117 1.00 0.00 O ATOM 770 CB THR A 50 8.825 0.028 0.675 1.00 0.00 C ATOM 771 OG1 THR A 50 8.209 0.290 1.940 1.00 0.00 O ATOM 772 CG2 THR A 50 7.981 0.627 -0.440 1.00 0.00 C ATOM 0 H THR A 50 7.428 -2.308 1.599 1.00 0.00 H new ATOM 0 HA THR A 50 9.341 -1.680 -0.541 1.00 0.00 H new ATOM 0 HB THR A 50 9.812 0.490 0.650 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.252 0.454 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.873 1.700 -0.279 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.468 0.452 -1.399 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.996 0.160 -0.442 1.00 0.00 H new ATOM 780 N GLU A 51 9.604 -2.250 2.698 1.00 0.00 N ATOM 781 CA GLU A 51 10.499 -2.747 3.736 1.00 0.00 C ATOM 782 C GLU A 51 10.205 -4.210 4.055 1.00 0.00 C ATOM 783 O GLU A 51 11.117 -4.999 4.298 1.00 0.00 O ATOM 784 CB GLU A 51 10.365 -1.900 5.004 1.00 0.00 C ATOM 785 CG GLU A 51 10.378 -0.404 4.741 1.00 0.00 C ATOM 786 CD GLU A 51 11.776 0.137 4.516 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.711 -0.335 5.197 1.00 0.00 O ATOM 788 OE2 GLU A 51 11.936 1.032 3.659 1.00 0.00 O ATOM 0 H GLU A 51 8.640 -2.112 3.002 1.00 0.00 H new ATOM 0 HA GLU A 51 11.521 -2.673 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.436 -2.163 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.180 -2.148 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.764 -0.187 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.924 0.114 5.586 1.00 0.00 H new ATOM 795 N GLY A 52 8.924 -4.564 4.052 1.00 0.00 N ATOM 796 CA GLY A 52 8.531 -5.930 4.343 1.00 0.00 C ATOM 797 C GLY A 52 7.657 -6.032 5.577 1.00 0.00 C ATOM 798 O GLY A 52 6.964 -5.086 5.953 1.00 0.00 O ATOM 0 H GLY A 52 8.151 -3.929 3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.995 -6.341 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.424 -6.540 4.483 1.00 0.00 H new ATOM 802 N PRO A 53 7.679 -7.205 6.228 1.00 0.00 N ATOM 803 CA PRO A 53 6.887 -7.455 7.435 1.00 0.00 C ATOM 804 C PRO A 53 7.396 -6.667 8.637 1.00 0.00 C ATOM 805 O PRO A 53 8.602 -6.481 8.804 1.00 0.00 O ATOM 806 CB PRO A 53 7.062 -8.958 7.669 1.00 0.00 C ATOM 807 CG PRO A 53 8.361 -9.293 7.021 1.00 0.00 C ATOM 808 CD PRO A 53 8.481 -8.376 5.836 1.00 0.00 C ATOM 0 HA PRO A 53 5.849 -7.146 7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.078 -9.194 8.733 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.242 -9.525 7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.191 -9.148 7.712 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.384 -10.337 6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.519 -8.105 5.641 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.097 -8.841 4.928 1.00 0.00 H new ATOM 816 N CYS A 54 6.471 -6.205 9.471 1.00 0.00 N ATOM 817 CA CYS A 54 6.827 -5.435 10.658 1.00 0.00 C ATOM 818 C CYS A 54 8.020 -6.060 11.373 1.00 0.00 C ATOM 819 O CYS A 54 7.891 -7.089 12.034 1.00 0.00 O ATOM 820 CB CYS A 54 5.634 -5.348 11.611 1.00 0.00 C ATOM 821 SG CYS A 54 6.072 -4.878 13.301 1.00 0.00 S ATOM 0 H CYS A 54 5.469 -6.350 9.347 1.00 0.00 H new ATOM 0 HA CYS A 54 7.103 -4.430 10.340 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.920 -4.624 11.217 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.129 -6.314 11.633 1.00 0.00 H new ATOM 0 HG CYS A 54 5.640 -3.676 13.543 1.00 0.00 H new ATOM 827 N ASN A 55 9.183 -5.431 11.234 1.00 0.00 N ATOM 828 CA ASN A 55 10.400 -5.926 11.865 1.00 0.00 C ATOM 829 C ASN A 55 10.955 -4.904 12.853 1.00 0.00 C ATOM 830 O ASN A 55 12.075 -5.045 13.344 1.00 0.00 O ATOM 831 CB ASN A 55 11.454 -6.251 10.804 1.00 0.00 C ATOM 832 CG ASN A 55 11.909 -5.019 10.046 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.714 -4.232 10.544 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.395 -4.847 8.834 1.00 0.00 N ATOM 0 H ASN A 55 9.308 -4.577 10.690 1.00 0.00 H new ATOM 0 HA ASN A 55 10.152 -6.836 12.412 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.315 -6.719 11.282 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.046 -6.977 10.101 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.665 -4.037 8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.731 -5.525 8.461 1.00 0.00 H new ATOM 841 N MET A 56 10.164 -3.876 13.140 1.00 0.00 N ATOM 842 CA MET A 56 10.575 -2.832 14.071 1.00 0.00 C ATOM 843 C MET A 56 10.107 -3.151 15.487 1.00 0.00 C ATOM 844 O MET A 56 9.110 -3.842 15.697 1.00 0.00 O ATOM 845 CB MET A 56 10.017 -1.477 13.630 1.00 0.00 C ATOM 846 CG MET A 56 8.551 -1.524 13.233 1.00 0.00 C ATOM 847 SD MET A 56 7.836 0.118 13.021 1.00 0.00 S ATOM 848 CE MET A 56 8.313 0.897 14.561 1.00 0.00 C ATOM 0 H MET A 56 9.235 -3.743 12.741 1.00 0.00 H new ATOM 0 HA MET A 56 11.664 -2.787 14.069 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.142 -0.760 14.441 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.602 -1.109 12.787 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.448 -2.084 12.303 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.989 -2.065 13.995 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.559 1.631 14.846 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.396 0.140 15.341 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.275 1.395 14.435 1.00 0.00 H new ATOM 858 N PRO A 57 10.843 -2.636 16.484 1.00 0.00 N ATOM 859 CA PRO A 57 10.522 -2.853 17.898 1.00 0.00 C ATOM 860 C PRO A 57 9.254 -2.120 18.324 1.00 0.00 C ATOM 861 O PRO A 57 9.032 -0.970 17.945 1.00 0.00 O ATOM 862 CB PRO A 57 11.740 -2.284 18.630 1.00 0.00 C ATOM 863 CG PRO A 57 12.309 -1.277 17.692 1.00 0.00 C ATOM 864 CD PRO A 57 12.044 -1.803 16.308 1.00 0.00 C ATOM 0 HA PRO A 57 10.329 -3.904 18.115 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.454 -1.826 19.577 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.465 -3.065 18.859 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.842 -0.303 17.835 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.378 -1.146 17.862 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.872 -0.995 15.597 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.885 -2.385 15.931 1.00 0.00 H new ATOM 872 N LYS A 58 8.424 -2.793 19.114 1.00 0.00 N ATOM 873 CA LYS A 58 7.178 -2.205 19.593 1.00 0.00 C ATOM 874 C LYS A 58 7.442 -0.893 20.325 1.00 0.00 C ATOM 875 O LYS A 58 8.189 -0.839 21.303 1.00 0.00 O ATOM 876 CB LYS A 58 6.454 -3.183 20.521 1.00 0.00 C ATOM 877 CG LYS A 58 4.989 -2.845 20.736 1.00 0.00 C ATOM 878 CD LYS A 58 4.207 -4.046 21.240 1.00 0.00 C ATOM 879 CE LYS A 58 2.916 -3.624 21.924 1.00 0.00 C ATOM 880 NZ LYS A 58 3.110 -3.396 23.383 1.00 0.00 N ATOM 0 H LYS A 58 8.592 -3.746 19.436 1.00 0.00 H new ATOM 0 HA LYS A 58 6.546 -1.997 18.729 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.529 -4.188 20.106 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.960 -3.198 21.486 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.905 -2.028 21.453 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.555 -2.494 19.800 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.978 -4.709 20.405 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.821 -4.614 21.939 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.541 -2.711 21.461 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.158 -4.392 21.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.207 -3.110 23.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.444 -4.274 23.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.815 -2.645 23.526 1.00 0.00 H new ATOM 894 N PRO A 59 6.815 0.190 19.844 1.00 0.00 N ATOM 895 CA PRO A 59 6.965 1.521 20.440 1.00 0.00 C ATOM 896 C PRO A 59 6.299 1.623 21.808 1.00 0.00 C ATOM 897 O PRO A 59 5.457 0.798 22.162 1.00 0.00 O ATOM 898 CB PRO A 59 6.265 2.440 19.435 1.00 0.00 C ATOM 899 CG PRO A 59 5.280 1.563 18.742 1.00 0.00 C ATOM 900 CD PRO A 59 5.910 0.199 18.682 1.00 0.00 C ATOM 0 HA PRO A 59 8.011 1.774 20.614 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.770 3.272 19.937 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.976 2.871 18.730 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.335 1.533 19.284 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.061 1.936 17.741 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.163 -0.592 18.748 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.453 0.048 17.749 1.00 0.00 H new ATOM 908 N GLY A 60 6.683 2.640 22.573 1.00 0.00 N ATOM 909 CA GLY A 60 6.112 2.830 23.894 1.00 0.00 C ATOM 910 C GLY A 60 4.836 3.647 23.863 1.00 0.00 C ATOM 911 O GLY A 60 4.627 4.450 22.953 1.00 0.00 O ATOM 0 H GLY A 60 7.379 3.335 22.302 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.906 1.857 24.340 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.842 3.326 24.534 1.00 0.00 H new ATOM 915 N VAL A 61 3.979 3.443 24.858 1.00 0.00 N ATOM 916 CA VAL A 61 2.716 4.167 24.941 1.00 0.00 C ATOM 917 C VAL A 61 2.914 5.651 24.653 1.00 0.00 C ATOM 918 O VAL A 61 2.315 6.200 23.728 1.00 0.00 O ATOM 919 CB VAL A 61 2.067 4.006 26.328 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.412 2.639 26.456 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.098 4.217 27.426 1.00 0.00 C ATOM 0 H VAL A 61 4.136 2.782 25.619 1.00 0.00 H new ATOM 0 HA VAL A 61 2.055 3.739 24.187 1.00 0.00 H new ATOM 0 HB VAL A 61 1.292 4.765 26.438 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.959 2.544 27.443 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.643 2.531 25.691 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.165 1.861 26.326 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.622 4.100 28.400 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.896 3.482 27.321 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.516 5.221 27.345 1.00 0.00 H new ATOM 931 N PHE A 62 3.758 6.295 25.451 1.00 0.00 N ATOM 932 CA PHE A 62 4.035 7.717 25.283 1.00 0.00 C ATOM 933 C PHE A 62 4.246 8.060 23.812 1.00 0.00 C ATOM 934 O PHE A 62 4.029 9.196 23.390 1.00 0.00 O ATOM 935 CB PHE A 62 5.269 8.118 26.094 1.00 0.00 C ATOM 936 CG PHE A 62 4.988 8.309 27.558 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.820 7.217 28.393 1.00 0.00 C ATOM 938 CD2 PHE A 62 4.892 9.582 28.097 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.562 7.390 29.740 1.00 0.00 C ATOM 940 CE2 PHE A 62 4.634 9.761 29.443 1.00 0.00 C ATOM 941 CZ PHE A 62 4.468 8.664 30.265 1.00 0.00 C ATOM 0 H PHE A 62 4.262 5.855 26.221 1.00 0.00 H new ATOM 0 HA PHE A 62 3.172 8.275 25.648 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.036 7.352 25.976 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.677 9.043 25.687 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.891 6.219 27.987 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.020 10.444 27.458 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.434 6.530 30.381 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.562 10.758 29.852 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.265 8.802 31.317 1.00 0.00 H new ATOM 951 N ASP A 63 4.672 7.069 23.035 1.00 0.00 N ATOM 952 CA ASP A 63 4.913 7.264 21.610 1.00 0.00 C ATOM 953 C ASP A 63 3.674 6.906 20.796 1.00 0.00 C ATOM 954 O ASP A 63 3.764 6.216 19.779 1.00 0.00 O ATOM 955 CB ASP A 63 6.102 6.418 21.152 1.00 0.00 C ATOM 956 CG ASP A 63 7.429 7.118 21.372 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.730 8.068 20.620 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.167 6.714 22.295 1.00 0.00 O ATOM 0 H ASP A 63 4.857 6.123 23.368 1.00 0.00 H new ATOM 0 HA ASP A 63 5.142 8.317 21.446 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.100 5.471 21.692 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.990 6.182 20.094 1.00 0.00 H new ATOM 963 N LEU A 64 2.517 7.379 21.248 1.00 0.00 N ATOM 964 CA LEU A 64 1.259 7.108 20.562 1.00 0.00 C ATOM 965 C LEU A 64 1.442 7.159 19.049 1.00 0.00 C ATOM 966 O LEU A 64 1.105 6.209 18.340 1.00 0.00 O ATOM 967 CB LEU A 64 0.193 8.117 20.993 1.00 0.00 C ATOM 968 CG LEU A 64 0.082 8.376 22.496 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.022 9.381 22.784 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.169 7.075 23.244 1.00 0.00 C ATOM 0 H LEU A 64 2.425 7.952 22.087 1.00 0.00 H new ATOM 0 HA LEU A 64 0.933 6.105 20.836 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.397 9.065 20.495 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.775 7.769 20.632 1.00 0.00 H new ATOM 0 HG LEU A 64 1.026 8.795 22.844 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.086 9.553 23.858 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.799 10.321 22.279 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.973 8.991 22.421 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.245 7.278 24.312 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.098 6.627 22.893 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.657 6.387 23.064 1.00 0.00 H new ATOM 982 N ILE A 65 1.979 8.272 18.560 1.00 0.00 N ATOM 983 CA ILE A 65 2.210 8.445 17.131 1.00 0.00 C ATOM 984 C ILE A 65 2.710 7.152 16.495 1.00 0.00 C ATOM 985 O ILE A 65 2.115 6.646 15.544 1.00 0.00 O ATOM 986 CB ILE A 65 3.229 9.566 16.858 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.544 10.933 16.919 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.892 9.360 15.504 1.00 0.00 C ATOM 989 CD1 ILE A 65 3.447 12.040 17.418 1.00 0.00 C ATOM 0 H ILE A 65 2.262 9.067 19.132 1.00 0.00 H new ATOM 0 HA ILE A 65 1.253 8.719 16.687 1.00 0.00 H new ATOM 0 HB ILE A 65 4.000 9.532 17.628 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.180 11.193 15.925 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.672 10.865 17.570 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.610 10.160 15.325 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.409 8.400 15.494 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.133 9.372 14.722 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.895 12.980 17.435 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.791 11.803 18.425 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.306 12.136 16.754 1.00 0.00 H new ATOM 1001 N ASN A 66 3.806 6.622 17.027 1.00 0.00 N ATOM 1002 CA ASN A 66 4.386 5.387 16.512 1.00 0.00 C ATOM 1003 C ASN A 66 3.457 4.204 16.765 1.00 0.00 C ATOM 1004 O ASN A 66 3.163 3.426 15.857 1.00 0.00 O ATOM 1005 CB ASN A 66 5.747 5.129 17.161 1.00 0.00 C ATOM 1006 CG ASN A 66 6.816 6.082 16.660 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.724 5.685 15.930 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.712 7.346 17.053 1.00 0.00 N ATOM 0 H ASN A 66 4.311 7.028 17.815 1.00 0.00 H new ATOM 0 HA ASN A 66 4.520 5.498 15.436 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.655 5.226 18.243 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.055 4.103 16.958 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.402 8.033 16.749 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.942 7.630 17.659 1.00 0.00 H new ATOM 1015 N LYS A 67 2.997 4.074 18.004 1.00 0.00 N ATOM 1016 CA LYS A 67 2.100 2.987 18.378 1.00 0.00 C ATOM 1017 C LYS A 67 0.962 2.850 17.371 1.00 0.00 C ATOM 1018 O LYS A 67 0.516 1.743 17.071 1.00 0.00 O ATOM 1019 CB LYS A 67 1.530 3.227 19.778 1.00 0.00 C ATOM 1020 CG LYS A 67 1.129 1.951 20.498 1.00 0.00 C ATOM 1021 CD LYS A 67 2.317 1.026 20.697 1.00 0.00 C ATOM 1022 CE LYS A 67 2.011 -0.064 21.713 1.00 0.00 C ATOM 1023 NZ LYS A 67 0.789 -0.834 21.350 1.00 0.00 N ATOM 0 H LYS A 67 3.231 4.709 18.767 1.00 0.00 H new ATOM 0 HA LYS A 67 2.674 2.060 18.380 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.272 3.755 20.378 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.660 3.879 19.700 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.694 2.200 21.466 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.358 1.436 19.925 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.589 0.571 19.744 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.178 1.605 21.031 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.861 -0.743 21.784 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.879 0.384 22.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.718 -1.677 21.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.051 -0.237 21.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.846 -1.127 20.354 1.00 0.00 H new ATOM 1037 N ALA A 68 0.498 3.982 16.852 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.585 3.987 15.876 1.00 0.00 C ATOM 1039 C ALA A 68 -0.176 3.261 14.599 1.00 0.00 C ATOM 1040 O ALA A 68 -0.958 2.500 14.028 1.00 0.00 O ATOM 1041 CB ALA A 68 -1.005 5.415 15.562 1.00 0.00 C ATOM 0 H ALA A 68 0.855 4.907 17.091 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.434 3.457 16.308 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.814 5.404 14.832 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.346 5.903 16.475 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.156 5.963 15.154 1.00 0.00 H new ATOM 1047 N LYS A 69 1.053 3.501 14.154 1.00 0.00 N ATOM 1048 CA LYS A 69 1.566 2.869 12.945 1.00 0.00 C ATOM 1049 C LYS A 69 1.920 1.408 13.202 1.00 0.00 C ATOM 1050 O LYS A 69 1.511 0.520 12.453 1.00 0.00 O ATOM 1051 CB LYS A 69 2.798 3.622 12.436 1.00 0.00 C ATOM 1052 CG LYS A 69 2.469 4.736 11.457 1.00 0.00 C ATOM 1053 CD LYS A 69 2.078 6.015 12.179 1.00 0.00 C ATOM 1054 CE LYS A 69 1.665 7.103 11.200 1.00 0.00 C ATOM 1055 NZ LYS A 69 0.962 8.224 11.882 1.00 0.00 N ATOM 0 H LYS A 69 1.712 4.129 14.613 1.00 0.00 H new ATOM 0 HA LYS A 69 0.785 2.906 12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.333 4.044 13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.473 2.914 11.955 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.331 4.927 10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.654 4.421 10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.256 5.810 12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.916 6.365 12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.548 7.486 10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.014 6.677 10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.697 8.945 11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.106 7.864 12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.592 8.647 12.593 1.00 0.00 H new ATOM 1069 N TRP A 70 2.681 1.166 14.263 1.00 0.00 N ATOM 1070 CA TRP A 70 3.088 -0.188 14.619 1.00 0.00 C ATOM 1071 C TRP A 70 1.922 -1.161 14.478 1.00 0.00 C ATOM 1072 O TRP A 70 2.051 -2.210 13.846 1.00 0.00 O ATOM 1073 CB TRP A 70 3.626 -0.222 16.050 1.00 0.00 C ATOM 1074 CG TRP A 70 4.518 -1.395 16.322 1.00 0.00 C ATOM 1075 CD1 TRP A 70 5.840 -1.512 16.002 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.150 -2.619 16.968 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.317 -2.734 16.410 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.300 -3.432 17.006 1.00 0.00 C ATOM 1079 CE3 TRP A 70 2.963 -3.107 17.520 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.294 -4.703 17.573 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 2.958 -4.369 18.082 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.118 -5.155 18.106 1.00 0.00 C ATOM 0 H TRP A 70 3.029 1.890 14.892 1.00 0.00 H new ATOM 0 HA TRP A 70 3.879 -0.495 13.934 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.178 0.698 16.245 1.00 0.00 H new ATOM 0 HB3 TRP A 70 2.787 -0.244 16.745 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.425 -0.755 15.501 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.273 -3.068 16.289 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.065 -2.508 17.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.186 -5.311 17.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.045 -4.756 18.510 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.083 -6.137 18.554 1.00 0.00 H new ATOM 1093 N ASP A 71 0.787 -0.808 15.069 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.402 -1.650 15.008 1.00 0.00 C ATOM 1095 C ASP A 71 -0.887 -1.802 13.570 1.00 0.00 C ATOM 1096 O ASP A 71 -1.500 -2.808 13.215 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.515 -1.061 15.876 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.375 -1.442 17.336 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.307 -1.164 17.921 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -2.332 -2.019 17.894 1.00 0.00 O ATOM 0 H ASP A 71 0.665 0.056 15.597 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.139 -2.637 15.389 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.506 0.025 15.785 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.481 -1.404 15.505 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.608 -0.796 12.747 1.00 0.00 N ATOM 1106 CA ALA A 72 -1.015 -0.819 11.348 1.00 0.00 C ATOM 1107 C ALA A 72 -0.097 -1.715 10.524 1.00 0.00 C ATOM 1108 O ALA A 72 -0.554 -2.654 9.872 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.027 0.593 10.779 1.00 0.00 C ATOM 0 H ALA A 72 -0.102 0.045 13.025 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.023 -1.229 11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.333 0.561 9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.729 1.207 11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.028 1.023 10.852 1.00 0.00 H new ATOM 1115 N TRP A 73 1.197 -1.419 10.557 1.00 0.00 N ATOM 1116 CA TRP A 73 2.179 -2.199 9.812 1.00 0.00 C ATOM 1117 C TRP A 73 2.312 -3.603 10.391 1.00 0.00 C ATOM 1118 O TRP A 73 2.623 -4.553 9.674 1.00 0.00 O ATOM 1119 CB TRP A 73 3.537 -1.497 9.828 1.00 0.00 C ATOM 1120 CG TRP A 73 4.567 -2.175 8.976 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.341 -3.102 7.999 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.984 -1.981 9.027 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.532 -3.496 7.440 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.556 -2.822 8.052 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.827 -1.176 9.799 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.929 -2.881 7.833 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.190 -1.236 9.581 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.730 -2.083 8.603 1.00 0.00 C ATOM 0 H TRP A 73 1.591 -0.645 11.091 1.00 0.00 H new ATOM 0 HA TRP A 73 1.833 -2.282 8.782 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.411 -0.470 9.485 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.900 -1.448 10.854 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.368 -3.471 7.709 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.637 -4.180 6.690 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.420 -0.519 10.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.348 -3.534 7.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.850 -0.620 10.174 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.800 -2.106 8.455 1.00 0.00 H new ATOM 1139 N ASN A 74 2.074 -3.727 11.693 1.00 0.00 N ATOM 1140 CA ASN A 74 2.168 -5.016 12.368 1.00 0.00 C ATOM 1141 C ASN A 74 1.037 -5.943 11.931 1.00 0.00 C ATOM 1142 O ASN A 74 1.263 -7.114 11.628 1.00 0.00 O ATOM 1143 CB ASN A 74 2.127 -4.825 13.886 1.00 0.00 C ATOM 1144 CG ASN A 74 2.082 -6.143 14.634 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.556 -7.166 14.140 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.511 -6.124 15.832 1.00 0.00 N ATOM 0 H ASN A 74 1.815 -2.950 12.301 1.00 0.00 H new ATOM 0 HA ASN A 74 3.118 -5.474 12.091 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.004 -4.261 14.202 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.253 -4.230 14.151 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.452 -6.981 16.382 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.131 -5.253 16.202 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.179 -5.409 11.900 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.345 -6.187 11.497 1.00 0.00 C ATOM 1155 C ALA A 75 -1.041 -7.034 10.266 1.00 0.00 C ATOM 1156 O ALA A 75 -1.476 -8.181 10.165 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.526 -5.267 11.229 1.00 0.00 C ATOM 0 H ALA A 75 -0.383 -4.441 12.149 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.602 -6.861 12.314 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.389 -5.861 10.929 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.766 -4.710 12.135 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.270 -4.570 10.431 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.292 -6.461 9.330 1.00 0.00 N ATOM 1164 CA LEU A 76 0.070 -7.163 8.104 1.00 0.00 C ATOM 1165 C LEU A 76 0.726 -8.504 8.417 1.00 0.00 C ATOM 1166 O LEU A 76 0.371 -9.530 7.839 1.00 0.00 O ATOM 1167 CB LEU A 76 1.016 -6.305 7.261 1.00 0.00 C ATOM 1168 CG LEU A 76 0.359 -5.209 6.420 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.305 -5.807 5.190 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.652 -4.434 7.251 1.00 0.00 C ATOM 0 H LEU A 76 0.076 -5.512 9.397 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.843 -7.349 7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.742 -5.838 7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.573 -6.963 6.594 1.00 0.00 H new ATOM 0 HG LEU A 76 1.134 -4.517 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.767 -5.013 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.444 -6.317 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.068 -6.521 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.110 -3.658 6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.424 -5.114 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.148 -3.974 8.101 1.00 0.00 H new ATOM 1182 N GLY A 77 1.684 -8.488 9.339 1.00 0.00 N ATOM 1183 CA GLY A 77 2.372 -9.709 9.715 1.00 0.00 C ATOM 1184 C GLY A 77 3.370 -10.158 8.667 1.00 0.00 C ATOM 1185 O GLY A 77 4.308 -9.430 8.341 1.00 0.00 O ATOM 0 H GLY A 77 1.996 -7.651 9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.889 -9.554 10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.640 -10.500 9.877 1.00 0.00 H new ATOM 1189 N SER A 78 3.170 -11.361 8.139 1.00 0.00 N ATOM 1190 CA SER A 78 4.064 -11.909 7.125 1.00 0.00 C ATOM 1191 C SER A 78 3.526 -11.640 5.723 1.00 0.00 C ATOM 1192 O SER A 78 3.731 -12.433 4.804 1.00 0.00 O ATOM 1193 CB SER A 78 4.245 -13.414 7.334 1.00 0.00 C ATOM 1194 OG SER A 78 5.461 -13.865 6.764 1.00 0.00 O ATOM 0 H SER A 78 2.397 -11.975 8.396 1.00 0.00 H new ATOM 0 HA SER A 78 5.031 -11.416 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.233 -13.640 8.400 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.409 -13.950 6.885 1.00 0.00 H new ATOM 0 HG SER A 78 5.492 -13.612 5.818 1.00 0.00 H new ATOM 1200 N LEU A 79 2.835 -10.516 5.568 1.00 0.00 N ATOM 1201 CA LEU A 79 2.266 -10.139 4.278 1.00 0.00 C ATOM 1202 C LEU A 79 3.366 -9.837 3.265 1.00 0.00 C ATOM 1203 O LEU A 79 4.167 -8.917 3.438 1.00 0.00 O ATOM 1204 CB LEU A 79 1.354 -8.922 4.437 1.00 0.00 C ATOM 1205 CG LEU A 79 0.457 -8.595 3.242 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.284 -8.480 1.971 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.626 -9.652 3.083 1.00 0.00 C ATOM 0 H LEU A 79 2.655 -9.850 6.319 1.00 0.00 H new ATOM 0 HA LEU A 79 1.678 -10.979 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.720 -9.080 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.976 -8.052 4.648 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.025 -7.635 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.630 -8.247 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.022 -7.686 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.794 -9.424 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.255 -9.403 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.163 -10.626 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.237 -9.685 3.985 1.00 0.00 H new ATOM 1219 N PRO A 80 3.406 -10.626 2.182 1.00 0.00 N ATOM 1220 CA PRO A 80 4.401 -10.460 1.118 1.00 0.00 C ATOM 1221 C PRO A 80 4.174 -9.190 0.305 1.00 0.00 C ATOM 1222 O PRO A 80 3.035 -8.799 0.049 1.00 0.00 O ATOM 1223 CB PRO A 80 4.194 -11.698 0.243 1.00 0.00 C ATOM 1224 CG PRO A 80 2.779 -12.099 0.481 1.00 0.00 C ATOM 1225 CD PRO A 80 2.483 -11.741 1.911 1.00 0.00 C ATOM 0 HA PRO A 80 5.411 -10.366 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.370 -11.473 -0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.883 -12.497 0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.106 -11.578 -0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.642 -13.167 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.443 -11.443 2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.661 -12.582 2.581 1.00 0.00 H new ATOM 1233 N LYS A 81 5.266 -8.548 -0.098 1.00 0.00 N ATOM 1234 CA LYS A 81 5.187 -7.323 -0.884 1.00 0.00 C ATOM 1235 C LYS A 81 4.192 -7.473 -2.029 1.00 0.00 C ATOM 1236 O LYS A 81 3.299 -6.644 -2.200 1.00 0.00 O ATOM 1237 CB LYS A 81 6.567 -6.958 -1.438 1.00 0.00 C ATOM 1238 CG LYS A 81 7.642 -6.852 -0.370 1.00 0.00 C ATOM 1239 CD LYS A 81 9.009 -6.590 -0.980 1.00 0.00 C ATOM 1240 CE LYS A 81 10.032 -6.222 0.083 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.407 -6.124 -0.480 1.00 0.00 N ATOM 0 H LYS A 81 6.216 -8.856 0.107 1.00 0.00 H new ATOM 0 HA LYS A 81 4.841 -6.523 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.866 -7.709 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.497 -6.008 -1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.391 -6.048 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.672 -7.774 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.345 -7.477 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.935 -5.784 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.757 -5.270 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.017 -6.970 0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.075 -5.871 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.680 -7.039 -0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.428 -5.393 -1.219 1.00 0.00 H new ATOM 1255 N GLU A 82 4.351 -8.538 -2.810 1.00 0.00 N ATOM 1256 CA GLU A 82 3.464 -8.796 -3.939 1.00 0.00 C ATOM 1257 C GLU A 82 2.021 -8.446 -3.588 1.00 0.00 C ATOM 1258 O GLU A 82 1.322 -7.796 -4.365 1.00 0.00 O ATOM 1259 CB GLU A 82 3.556 -10.263 -4.363 1.00 0.00 C ATOM 1260 CG GLU A 82 4.965 -10.705 -4.724 1.00 0.00 C ATOM 1261 CD GLU A 82 5.001 -12.088 -5.345 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.873 -12.184 -6.584 1.00 0.00 O ATOM 1263 OE2 GLU A 82 5.156 -13.073 -4.593 1.00 0.00 O ATOM 0 H GLU A 82 5.085 -9.235 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 82 3.781 -8.165 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.184 -10.891 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.902 -10.427 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.400 -9.987 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.585 -10.697 -3.828 1.00 0.00 H new ATOM 1270 N ALA A 83 1.581 -8.883 -2.412 1.00 0.00 N ATOM 1271 CA ALA A 83 0.223 -8.616 -1.957 1.00 0.00 C ATOM 1272 C ALA A 83 0.103 -7.207 -1.385 1.00 0.00 C ATOM 1273 O ALA A 83 -0.906 -6.531 -1.582 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.199 -9.646 -0.920 1.00 0.00 C ATOM 0 H ALA A 83 2.146 -9.424 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.443 -8.689 -2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.216 -9.434 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.161 -10.642 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.477 -9.601 -0.066 1.00 0.00 H new ATOM 1280 N ALA A 84 1.138 -6.772 -0.674 1.00 0.00 N ATOM 1281 CA ALA A 84 1.149 -5.444 -0.074 1.00 0.00 C ATOM 1282 C ALA A 84 0.855 -4.369 -1.116 1.00 0.00 C ATOM 1283 O ALA A 84 -0.040 -3.543 -0.934 1.00 0.00 O ATOM 1284 CB ALA A 84 2.488 -5.179 0.597 1.00 0.00 C ATOM 0 H ALA A 84 1.980 -7.320 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 84 0.364 -5.407 0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.482 -4.183 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.658 -5.922 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.285 -5.241 -0.144 1.00 0.00 H new ATOM 1290 N ARG A 85 1.614 -4.385 -2.206 1.00 0.00 N ATOM 1291 CA ARG A 85 1.436 -3.410 -3.276 1.00 0.00 C ATOM 1292 C ARG A 85 0.020 -3.475 -3.840 1.00 0.00 C ATOM 1293 O ARG A 85 -0.560 -2.452 -4.204 1.00 0.00 O ATOM 1294 CB ARG A 85 2.453 -3.654 -4.392 1.00 0.00 C ATOM 1295 CG ARG A 85 3.805 -3.007 -4.137 1.00 0.00 C ATOM 1296 CD ARG A 85 4.590 -2.830 -5.427 1.00 0.00 C ATOM 1297 NE ARG A 85 5.404 -4.001 -5.738 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.435 -4.396 -4.999 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.775 -3.718 -3.912 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.128 -5.473 -5.348 1.00 0.00 N ATOM 0 H ARG A 85 2.358 -5.062 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 85 1.597 -2.416 -2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.592 -4.728 -4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.049 -3.273 -5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.661 -2.037 -3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.378 -3.621 -3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.899 -2.640 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.233 -1.954 -5.343 1.00 0.00 H new ATOM 0 HE ARG A 85 5.169 -4.546 -6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.245 -2.890 -3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.567 -4.024 -3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.869 -5.997 -6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.920 -5.776 -4.781 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.529 -4.683 -3.910 1.00 0.00 N ATOM 1315 CA GLN A 86 -1.876 -4.881 -4.431 1.00 0.00 C ATOM 1316 C GLN A 86 -2.918 -4.298 -3.481 1.00 0.00 C ATOM 1317 O GLN A 86 -3.887 -3.676 -3.914 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.147 -6.370 -4.653 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.606 -6.687 -4.940 1.00 0.00 C ATOM 1320 CD GLN A 86 -3.997 -6.388 -6.373 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -4.092 -7.292 -7.204 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -4.227 -5.115 -6.672 1.00 0.00 N ATOM 0 H GLN A 86 -0.062 -5.539 -3.612 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.949 -4.360 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.537 -6.722 -5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.831 -6.924 -3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.794 -7.740 -4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.239 -6.109 -4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.137 -4.398 -5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.494 -4.854 -7.621 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.711 -4.506 -2.185 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.634 -4.002 -1.174 1.00 0.00 C ATOM 1333 C ASN A 87 -3.641 -2.477 -1.156 1.00 0.00 C ATOM 1334 O ASN A 87 -4.701 -1.850 -1.168 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.251 -4.538 0.207 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.609 -6.001 0.379 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.774 -6.348 0.580 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.607 -6.869 0.301 1.00 0.00 N ATOM 0 H ASN A 87 -1.913 -5.019 -1.810 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.636 -4.349 -1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.180 -4.409 0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.755 -3.951 0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.787 -7.867 0.409 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.657 -6.538 0.133 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.452 -1.885 -1.128 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.321 -0.433 -1.106 1.00 0.00 C ATOM 1347 C TYR A 88 -3.102 0.201 -2.252 1.00 0.00 C ATOM 1348 O TYR A 88 -3.885 1.130 -2.047 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.847 -0.032 -1.195 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.622 1.462 -1.143 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -0.998 2.279 -2.203 1.00 0.00 C ATOM 1352 CD2 TYR A 88 -0.035 2.058 -0.033 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.794 3.644 -2.159 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.172 3.423 0.019 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.209 4.211 -1.046 1.00 0.00 C ATOM 1356 OH TYR A 88 -0.005 5.572 -0.999 1.00 0.00 O ATOM 0 H TYR A 88 -1.565 -2.389 -1.120 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.733 -0.070 -0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.301 -0.502 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.428 -0.422 -2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.457 1.839 -3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.264 1.444 0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.091 4.264 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.630 3.870 0.889 1.00 0.00 H new ATOM 0 HH TYR A 88 0.415 5.811 -0.147 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.885 -0.307 -3.461 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.570 0.207 -4.641 1.00 0.00 C ATOM 1368 C VAL A 89 -5.059 -0.116 -4.598 1.00 0.00 C ATOM 1369 O VAL A 89 -5.898 0.731 -4.903 1.00 0.00 O ATOM 1370 CB VAL A 89 -2.967 -0.370 -5.936 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.517 0.062 -6.089 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.085 -1.887 -5.947 1.00 0.00 C ATOM 0 H VAL A 89 -2.240 -1.074 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.437 1.289 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.528 0.022 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.108 -0.355 -7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.464 1.150 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.938 -0.299 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.654 -2.279 -6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.549 -2.300 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.136 -2.171 -5.888 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.380 -1.347 -4.215 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.769 -1.784 -4.130 1.00 0.00 C ATOM 1384 C ASP A 90 -7.579 -0.847 -3.239 1.00 0.00 C ATOM 1385 O ASP A 90 -8.804 -0.782 -3.340 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.844 -3.213 -3.590 1.00 0.00 C ATOM 1387 CG ASP A 90 -6.791 -4.251 -4.694 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -7.015 -3.884 -5.865 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -6.526 -5.432 -4.385 1.00 0.00 O ATOM 0 H ASP A 90 -4.697 -2.060 -3.958 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.194 -1.760 -5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.019 -3.381 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.767 -3.336 -3.023 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.886 -0.124 -2.366 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.541 0.809 -1.455 1.00 0.00 C ATOM 1396 C LEU A 91 -7.794 2.150 -2.138 1.00 0.00 C ATOM 1397 O LEU A 91 -8.938 2.583 -2.273 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.686 1.015 -0.203 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.306 1.877 0.898 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.335 3.338 0.479 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.708 1.387 1.233 1.00 0.00 C ATOM 0 H LEU A 91 -5.871 -0.166 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.501 0.382 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.451 0.037 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.741 1.468 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.689 1.790 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.779 3.936 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.318 3.683 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.928 3.444 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.134 2.012 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.336 1.444 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.660 0.354 1.577 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.718 2.801 -2.569 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.824 4.090 -3.242 1.00 0.00 C ATOM 1415 C VAL A 92 -7.981 4.100 -4.233 1.00 0.00 C ATOM 1416 O VAL A 92 -8.643 5.121 -4.421 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.522 4.443 -3.986 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.664 5.774 -4.709 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.348 4.475 -3.019 1.00 0.00 C ATOM 0 H VAL A 92 -5.764 2.457 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.006 4.836 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.329 3.671 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.735 6.007 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.478 5.711 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.882 6.560 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.436 4.726 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.531 5.225 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.235 3.497 -2.552 1.00 0.00 H new ATOM 1429 N SER A 93 -8.221 2.956 -4.866 1.00 0.00 N ATOM 1430 CA SER A 93 -9.298 2.833 -5.842 1.00 0.00 C ATOM 1431 C SER A 93 -10.661 2.935 -5.163 1.00 0.00 C ATOM 1432 O SER A 93 -11.594 3.526 -5.706 1.00 0.00 O ATOM 1433 CB SER A 93 -9.187 1.504 -6.591 1.00 0.00 C ATOM 1434 OG SER A 93 -10.074 1.465 -7.695 1.00 0.00 O ATOM 0 H SER A 93 -7.684 2.101 -4.721 1.00 0.00 H new ATOM 0 HA SER A 93 -9.204 3.652 -6.555 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.163 1.363 -6.938 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.410 0.681 -5.912 1.00 0.00 H new ATOM 0 HG SER A 93 -9.983 0.606 -8.158 1.00 0.00 H new ATOM 1440 N SER A 94 -10.766 2.356 -3.971 1.00 0.00 N ATOM 1441 CA SER A 94 -12.015 2.378 -3.219 1.00 0.00 C ATOM 1442 C SER A 94 -12.423 3.810 -2.885 1.00 0.00 C ATOM 1443 O SER A 94 -13.610 4.118 -2.768 1.00 0.00 O ATOM 1444 CB SER A 94 -11.873 1.563 -1.932 1.00 0.00 C ATOM 1445 OG SER A 94 -13.141 1.274 -1.369 1.00 0.00 O ATOM 0 H SER A 94 -10.002 1.866 -3.506 1.00 0.00 H new ATOM 0 HA SER A 94 -12.793 1.933 -3.840 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.345 0.633 -2.143 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.270 2.116 -1.212 1.00 0.00 H new ATOM 0 HG SER A 94 -13.023 0.751 -0.549 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.432 4.681 -2.734 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.686 6.081 -2.414 1.00 0.00 C ATOM 1453 C LEU A 95 -12.183 6.838 -3.641 1.00 0.00 C ATOM 1454 O LEU A 95 -13.203 7.526 -3.587 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.415 6.740 -1.874 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.885 6.190 -0.550 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.430 6.587 -0.352 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.736 6.682 0.612 1.00 0.00 C ATOM 0 H LEU A 95 -10.445 4.442 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.461 6.119 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.631 6.641 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.606 7.806 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.943 5.102 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.069 6.187 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.829 6.185 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.348 7.674 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.344 6.280 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.710 7.771 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.765 6.347 0.477 1.00 0.00 H new