USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 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= -0.0325 K(o=-0.033,f=-1.4!) USER MOD Single : A 23 SER OG : rot -70:sc= -1.46! USER MOD Single : A 24 MET CE :methyl 169:sc=-0.00731 (180deg=-0.0232) USER MOD Single : A 25 ASN : amide:sc=-0.00723 K(o=-0.0072,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) 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) USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= -0.173 (180deg=-0.791) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -2.01! (180deg=-4.57!) 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+ -129:sc= -0.0307 (180deg=-1.93!) USER MOD Single : A 48 GLN : amide:sc= -2.79! C(o=-2.8!,f=-8.1!) USER MOD Single : A 50 THR OG1 : rot -91:sc= 1.09 USER MOD Single : A 54 CYS SG : rot -150:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.54) USER MOD Single : A 56 MET CE :methyl -155:sc= -0.596 (180deg=-2.43!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.553 K(o=-0.55,f=0.0023) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= -0.123 (180deg=-0.123) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.722 X(o=-0.72,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -2.52! C(o=-2.5!,f=-3.2!) USER MOD Single : A 87 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.35) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.93 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 0.751 0.824 -11.198 1.00 0.00 N ATOM 247 CA ASP A 19 -0.489 0.867 -10.430 1.00 0.00 C ATOM 248 C ASP A 19 -0.257 1.493 -9.059 1.00 0.00 C ATOM 249 O ASP A 19 -1.032 2.339 -8.612 1.00 0.00 O ATOM 250 CB ASP A 19 -1.064 -0.542 -10.270 1.00 0.00 C ATOM 251 CG ASP A 19 -2.575 -0.540 -10.148 1.00 0.00 C ATOM 252 OD1 ASP A 19 -3.197 0.487 -10.492 1.00 0.00 O ATOM 253 OD2 ASP A 19 -3.135 -1.565 -9.710 1.00 0.00 O ATOM 0 HA ASP A 19 -1.204 1.483 -10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.772 -1.150 -11.127 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.632 -1.010 -9.385 1.00 0.00 H new ATOM 258 N PHE A 20 0.814 1.072 -8.395 1.00 0.00 N ATOM 259 CA PHE A 20 1.147 1.590 -7.073 1.00 0.00 C ATOM 260 C PHE A 20 1.471 3.080 -7.138 1.00 0.00 C ATOM 261 O PHE A 20 0.812 3.898 -6.498 1.00 0.00 O ATOM 262 CB PHE A 20 2.334 0.824 -6.485 1.00 0.00 C ATOM 263 CG PHE A 20 2.617 1.167 -5.050 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.927 0.540 -4.025 1.00 0.00 C ATOM 265 CD2 PHE A 20 3.575 2.114 -4.727 1.00 0.00 C ATOM 266 CE1 PHE A 20 2.185 0.855 -2.704 1.00 0.00 C ATOM 267 CE2 PHE A 20 3.838 2.432 -3.408 1.00 0.00 C ATOM 268 CZ PHE A 20 3.143 1.801 -2.395 1.00 0.00 C ATOM 0 H PHE A 20 1.467 0.373 -8.751 1.00 0.00 H new ATOM 0 HA PHE A 20 0.279 1.452 -6.428 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.141 -0.246 -6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.222 1.032 -7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.179 -0.203 -4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.123 2.610 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.638 0.362 -1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.586 3.173 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.348 2.047 -1.363 1.00 0.00 H new ATOM 278 N GLU A 21 2.493 3.423 -7.918 1.00 0.00 N ATOM 279 CA GLU A 21 2.905 4.814 -8.066 1.00 0.00 C ATOM 280 C GLU A 21 1.705 5.710 -8.358 1.00 0.00 C ATOM 281 O GLU A 21 1.635 6.844 -7.887 1.00 0.00 O ATOM 282 CB GLU A 21 3.939 4.946 -9.187 1.00 0.00 C ATOM 283 CG GLU A 21 5.332 4.492 -8.786 1.00 0.00 C ATOM 284 CD GLU A 21 6.331 4.600 -9.922 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.381 3.673 -10.757 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.061 5.612 -9.976 1.00 0.00 O ATOM 0 H GLU A 21 3.049 2.758 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 21 3.355 5.134 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.608 4.361 -10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.984 5.987 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.678 5.093 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.288 3.458 -8.443 1.00 0.00 H new ATOM 293 N ASN A 22 0.763 5.191 -9.139 1.00 0.00 N ATOM 294 CA ASN A 22 -0.434 5.943 -9.496 1.00 0.00 C ATOM 295 C ASN A 22 -1.342 6.128 -8.284 1.00 0.00 C ATOM 296 O ASN A 22 -1.824 7.229 -8.018 1.00 0.00 O ATOM 297 CB ASN A 22 -1.196 5.229 -10.614 1.00 0.00 C ATOM 298 CG ASN A 22 -0.486 5.325 -11.951 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.277 6.260 -12.195 1.00 0.00 O ATOM 300 ND2 ASN A 22 -0.734 4.355 -12.823 1.00 0.00 N ATOM 0 H ASN A 22 0.806 4.253 -9.537 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.123 6.927 -9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.325 4.180 -10.349 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.193 5.660 -10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.285 4.365 -13.739 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.374 3.600 -12.577 1.00 0.00 H new ATOM 307 N SER A 23 -1.571 5.042 -7.552 1.00 0.00 N ATOM 308 CA SER A 23 -2.423 5.082 -6.370 1.00 0.00 C ATOM 309 C SER A 23 -1.861 6.044 -5.328 1.00 0.00 C ATOM 310 O SER A 23 -2.520 7.008 -4.938 1.00 0.00 O ATOM 311 CB SER A 23 -2.562 3.683 -5.767 1.00 0.00 C ATOM 312 OG SER A 23 -3.390 2.861 -6.571 1.00 0.00 O ATOM 0 H SER A 23 -1.178 4.123 -7.757 1.00 0.00 H new ATOM 0 HA SER A 23 -3.407 5.438 -6.674 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.577 3.227 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.981 3.756 -4.764 1.00 0.00 H new ATOM 0 HG SER A 23 -4.318 3.171 -6.510 1.00 0.00 H new ATOM 318 N MET A 24 -0.639 5.774 -4.881 1.00 0.00 N ATOM 319 CA MET A 24 0.013 6.616 -3.884 1.00 0.00 C ATOM 320 C MET A 24 -0.097 8.090 -4.262 1.00 0.00 C ATOM 321 O MET A 24 -0.245 8.952 -3.397 1.00 0.00 O ATOM 322 CB MET A 24 1.484 6.224 -3.738 1.00 0.00 C ATOM 323 CG MET A 24 2.256 6.261 -5.047 1.00 0.00 C ATOM 324 SD MET A 24 3.992 6.690 -4.818 1.00 0.00 S ATOM 325 CE MET A 24 4.243 7.827 -6.180 1.00 0.00 C ATOM 0 H MET A 24 -0.080 4.980 -5.193 1.00 0.00 H new ATOM 0 HA MET A 24 -0.492 6.465 -2.930 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.962 6.896 -3.025 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.544 5.220 -3.319 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.187 5.287 -5.532 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.792 6.985 -5.717 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.204 8.329 -6.063 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.234 7.276 -7.120 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.445 8.569 -6.186 1.00 0.00 H new ATOM 335 N ASN A 25 -0.024 8.371 -5.559 1.00 0.00 N ATOM 336 CA ASN A 25 -0.114 9.742 -6.050 1.00 0.00 C ATOM 337 C ASN A 25 -1.489 10.335 -5.755 1.00 0.00 C ATOM 338 O ASN A 25 -1.597 11.453 -5.253 1.00 0.00 O ATOM 339 CB ASN A 25 0.161 9.785 -7.554 1.00 0.00 C ATOM 340 CG ASN A 25 0.320 11.202 -8.072 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.609 12.124 -7.310 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.132 11.380 -9.374 1.00 0.00 N ATOM 0 H ASN A 25 0.097 7.669 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 25 0.638 10.338 -5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.066 9.218 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.657 9.297 -8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.226 12.311 -9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.106 10.586 -9.968 1.00 0.00 H new ATOM 349 N GLN A 26 -2.534 9.578 -6.072 1.00 0.00 N ATOM 350 CA GLN A 26 -3.901 10.030 -5.841 1.00 0.00 C ATOM 351 C GLN A 26 -4.095 10.459 -4.391 1.00 0.00 C ATOM 352 O GLN A 26 -4.706 11.492 -4.114 1.00 0.00 O ATOM 353 CB GLN A 26 -4.894 8.921 -6.194 1.00 0.00 C ATOM 354 CG GLN A 26 -4.988 8.641 -7.685 1.00 0.00 C ATOM 355 CD GLN A 26 -6.080 7.644 -8.024 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.802 6.530 -8.468 1.00 0.00 O ATOM 357 NE2 GLN A 26 -7.329 8.041 -7.816 1.00 0.00 N ATOM 0 H GLN A 26 -2.461 8.650 -6.489 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.085 10.891 -6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.602 8.006 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.881 9.196 -5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.176 9.575 -8.215 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.031 8.260 -8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.513 8.974 -7.446 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.105 7.413 -8.026 1.00 0.00 H new ATOM 366 N VAL A 27 -3.572 9.659 -3.467 1.00 0.00 N ATOM 367 CA VAL A 27 -3.687 9.957 -2.044 1.00 0.00 C ATOM 368 C VAL A 27 -2.953 11.246 -1.691 1.00 0.00 C ATOM 369 O VAL A 27 -3.362 11.980 -0.791 1.00 0.00 O ATOM 370 CB VAL A 27 -3.127 8.809 -1.184 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.332 9.101 0.295 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.777 7.489 -1.569 1.00 0.00 C ATOM 0 H VAL A 27 -3.065 8.800 -3.678 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.749 10.077 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.056 8.729 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.930 8.279 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.816 10.024 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.397 9.209 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.369 6.689 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.854 7.555 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.574 7.276 -2.619 1.00 0.00 H new ATOM 382 N LYS A 28 -1.867 11.517 -2.407 1.00 0.00 N ATOM 383 CA LYS A 28 -1.075 12.718 -2.172 1.00 0.00 C ATOM 384 C LYS A 28 -1.704 13.927 -2.858 1.00 0.00 C ATOM 385 O LYS A 28 -1.366 15.072 -2.554 1.00 0.00 O ATOM 386 CB LYS A 28 0.355 12.519 -2.678 1.00 0.00 C ATOM 387 CG LYS A 28 1.164 11.539 -1.844 1.00 0.00 C ATOM 388 CD LYS A 28 2.651 11.840 -1.918 1.00 0.00 C ATOM 389 CE LYS A 28 3.241 11.411 -3.252 1.00 0.00 C ATOM 390 NZ LYS A 28 4.722 11.266 -3.183 1.00 0.00 N ATOM 0 H LYS A 28 -1.515 10.920 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.051 12.902 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.321 12.165 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.865 13.482 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.834 11.584 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.979 10.523 -2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.815 12.908 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.168 11.326 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.797 10.463 -3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.983 12.145 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.086 10.972 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.148 12.177 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.968 10.548 -2.472 1.00 0.00 H new ATOM 519 N ASN A 36 -6.874 9.762 10.346 1.00 0.00 N ATOM 520 CA ASN A 36 -5.781 8.891 10.762 1.00 0.00 C ATOM 521 C ASN A 36 -6.139 7.425 10.538 1.00 0.00 C ATOM 522 O ASN A 36 -5.272 6.552 10.571 1.00 0.00 O ATOM 523 CB ASN A 36 -5.447 9.126 12.237 1.00 0.00 C ATOM 524 CG ASN A 36 -4.660 10.403 12.455 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.200 11.505 12.350 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.375 10.262 12.759 1.00 0.00 N ATOM 0 HA ASN A 36 -4.907 9.131 10.156 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.371 9.169 12.814 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.874 8.280 12.616 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.795 11.086 12.916 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.968 9.330 12.836 1.00 0.00 H new ATOM 533 N GLU A 37 -7.422 7.163 10.310 1.00 0.00 N ATOM 534 CA GLU A 37 -7.894 5.802 10.081 1.00 0.00 C ATOM 535 C GLU A 37 -7.304 5.231 8.795 1.00 0.00 C ATOM 536 O GLU A 37 -6.774 4.120 8.782 1.00 0.00 O ATOM 537 CB GLU A 37 -9.423 5.774 10.010 1.00 0.00 C ATOM 538 CG GLU A 37 -9.984 6.383 8.736 1.00 0.00 C ATOM 539 CD GLU A 37 -11.488 6.570 8.792 1.00 0.00 C ATOM 540 OE1 GLU A 37 -11.967 7.249 9.723 1.00 0.00 O ATOM 541 OE2 GLU A 37 -12.185 6.036 7.903 1.00 0.00 O ATOM 0 H GLU A 37 -8.153 7.874 10.279 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.565 5.185 10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.763 4.742 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.828 6.310 10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.508 7.347 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.732 5.743 7.890 1.00 0.00 H new ATOM 548 N VAL A 38 -7.399 5.999 7.715 1.00 0.00 N ATOM 549 CA VAL A 38 -6.874 5.571 6.423 1.00 0.00 C ATOM 550 C VAL A 38 -5.377 5.837 6.323 1.00 0.00 C ATOM 551 O VAL A 38 -4.622 5.017 5.799 1.00 0.00 O ATOM 552 CB VAL A 38 -7.590 6.286 5.262 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.567 7.793 5.466 1.00 0.00 C ATOM 554 CG2 VAL A 38 -6.954 5.910 3.932 1.00 0.00 C ATOM 0 H VAL A 38 -7.835 6.921 7.708 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.055 4.499 6.347 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.631 5.962 5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.078 8.280 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.073 8.042 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.534 8.139 5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.472 6.424 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.904 6.203 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.029 4.833 3.784 1.00 0.00 H new ATOM 564 N LYS A 39 -4.951 6.989 6.830 1.00 0.00 N ATOM 565 CA LYS A 39 -3.542 7.365 6.800 1.00 0.00 C ATOM 566 C LYS A 39 -2.668 6.239 7.344 1.00 0.00 C ATOM 567 O LYS A 39 -1.467 6.187 7.074 1.00 0.00 O ATOM 568 CB LYS A 39 -3.316 8.640 7.615 1.00 0.00 C ATOM 569 CG LYS A 39 -4.001 9.864 7.033 1.00 0.00 C ATOM 570 CD LYS A 39 -4.308 10.895 8.106 1.00 0.00 C ATOM 571 CE LYS A 39 -4.290 12.308 7.543 1.00 0.00 C ATOM 572 NZ LYS A 39 -2.948 12.676 7.013 1.00 0.00 N ATOM 0 H LYS A 39 -5.562 7.679 7.267 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.262 7.550 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.677 8.481 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.245 8.832 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.363 10.311 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.926 9.564 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.286 10.688 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.577 10.813 8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.030 12.391 6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.579 13.013 8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.818 13.706 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.212 12.196 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.876 12.383 6.018 1.00 0.00 H new ATOM 586 N LEU A 40 -3.276 5.340 8.109 1.00 0.00 N ATOM 587 CA LEU A 40 -2.553 4.214 8.690 1.00 0.00 C ATOM 588 C LEU A 40 -2.623 2.994 7.778 1.00 0.00 C ATOM 589 O LEU A 40 -1.651 2.251 7.640 1.00 0.00 O ATOM 590 CB LEU A 40 -3.125 3.870 10.066 1.00 0.00 C ATOM 591 CG LEU A 40 -2.892 4.905 11.168 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.801 4.633 12.357 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.432 4.904 11.599 1.00 0.00 C ATOM 0 H LEU A 40 -4.269 5.369 8.342 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.508 4.503 8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.199 3.715 9.962 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.695 2.922 10.389 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.133 5.891 10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.621 5.379 13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.842 4.684 12.038 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.592 3.640 12.755 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.284 5.646 12.384 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.165 3.917 11.978 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.800 5.148 10.745 1.00 0.00 H new ATOM 605 N LYS A 41 -3.780 2.793 7.155 1.00 0.00 N ATOM 606 CA LYS A 41 -3.977 1.665 6.252 1.00 0.00 C ATOM 607 C LYS A 41 -3.138 1.825 4.989 1.00 0.00 C ATOM 608 O LYS A 41 -2.760 0.840 4.353 1.00 0.00 O ATOM 609 CB LYS A 41 -5.456 1.534 5.882 1.00 0.00 C ATOM 610 CG LYS A 41 -5.844 2.321 4.642 1.00 0.00 C ATOM 611 CD LYS A 41 -7.292 2.072 4.253 1.00 0.00 C ATOM 612 CE LYS A 41 -8.186 1.958 5.479 1.00 0.00 C ATOM 613 NZ LYS A 41 -8.112 0.604 6.095 1.00 0.00 N ATOM 0 H LYS A 41 -4.595 3.397 7.259 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.656 0.760 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.690 0.482 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.063 1.872 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.693 3.385 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.191 2.043 3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.645 2.885 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.360 1.157 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.892 2.708 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.217 2.173 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.074 0.245 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.608 -0.042 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.603 0.662 7.000 1.00 0.00 H new ATOM 627 N LEU A 42 -2.848 3.071 4.631 1.00 0.00 N ATOM 628 CA LEU A 42 -2.051 3.361 3.444 1.00 0.00 C ATOM 629 C LEU A 42 -0.561 3.223 3.741 1.00 0.00 C ATOM 630 O LEU A 42 0.226 2.863 2.866 1.00 0.00 O ATOM 631 CB LEU A 42 -2.353 4.771 2.934 1.00 0.00 C ATOM 632 CG LEU A 42 -3.486 4.888 1.914 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.231 3.972 0.727 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.824 4.563 2.562 1.00 0.00 C ATOM 0 H LEU A 42 -3.153 3.897 5.146 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.317 2.638 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.595 5.401 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.445 5.176 2.487 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.520 5.916 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.047 4.068 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.293 4.251 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.170 2.939 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.618 4.652 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.802 3.545 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.011 5.259 3.379 1.00 0.00 H new ATOM 646 N TYR A 43 -0.182 3.511 4.981 1.00 0.00 N ATOM 647 CA TYR A 43 1.214 3.420 5.394 1.00 0.00 C ATOM 648 C TYR A 43 1.604 1.973 5.680 1.00 0.00 C ATOM 649 O TYR A 43 2.721 1.550 5.387 1.00 0.00 O ATOM 650 CB TYR A 43 1.457 4.280 6.635 1.00 0.00 C ATOM 651 CG TYR A 43 2.497 3.710 7.573 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.845 4.007 7.411 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.132 2.873 8.620 1.00 0.00 C ATOM 654 CE1 TYR A 43 4.799 3.487 8.264 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.079 2.350 9.479 1.00 0.00 C ATOM 656 CZ TYR A 43 4.411 2.660 9.298 1.00 0.00 C ATOM 657 OH TYR A 43 5.357 2.140 10.151 1.00 0.00 O ATOM 0 H TYR A 43 -0.821 3.809 5.718 1.00 0.00 H new ATOM 0 HA TYR A 43 1.833 3.790 4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.770 5.276 6.321 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.518 4.397 7.175 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.152 4.656 6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.090 2.627 8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.843 3.726 8.122 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.778 1.701 10.288 1.00 0.00 H new ATOM 0 HH TYR A 43 4.918 1.579 10.824 1.00 0.00 H new ATOM 667 N ALA A 44 0.672 1.218 6.255 1.00 0.00 N ATOM 668 CA ALA A 44 0.916 -0.182 6.578 1.00 0.00 C ATOM 669 C ALA A 44 1.439 -0.943 5.365 1.00 0.00 C ATOM 670 O ALA A 44 2.439 -1.656 5.450 1.00 0.00 O ATOM 671 CB ALA A 44 -0.355 -0.831 7.104 1.00 0.00 C ATOM 0 H ALA A 44 -0.258 1.553 6.506 1.00 0.00 H new ATOM 0 HA ALA A 44 1.680 -0.222 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.158 -1.877 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.684 -0.310 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.135 -0.772 6.345 1.00 0.00 H new ATOM 677 N LEU A 45 0.755 -0.788 4.236 1.00 0.00 N ATOM 678 CA LEU A 45 1.150 -1.462 3.004 1.00 0.00 C ATOM 679 C LEU A 45 2.471 -0.908 2.480 1.00 0.00 C ATOM 680 O LEU A 45 3.379 -1.664 2.133 1.00 0.00 O ATOM 681 CB LEU A 45 0.061 -1.304 1.942 1.00 0.00 C ATOM 682 CG LEU A 45 -1.164 -2.206 2.098 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.740 -3.637 2.390 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.075 -1.682 3.198 1.00 0.00 C ATOM 0 H LEU A 45 -0.075 -0.202 4.149 1.00 0.00 H new ATOM 0 HA LEU A 45 1.283 -2.521 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.274 -0.267 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.505 -1.493 0.964 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.719 -2.198 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.625 -4.264 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.129 -4.010 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.162 -3.664 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.942 -2.336 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.530 -1.659 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.407 -0.675 2.946 1.00 0.00 H new ATOM 696 N TYR A 46 2.572 0.415 2.427 1.00 0.00 N ATOM 697 CA TYR A 46 3.782 1.071 1.945 1.00 0.00 C ATOM 698 C TYR A 46 5.029 0.398 2.511 1.00 0.00 C ATOM 699 O TYR A 46 5.861 -0.122 1.767 1.00 0.00 O ATOM 700 CB TYR A 46 3.771 2.552 2.326 1.00 0.00 C ATOM 701 CG TYR A 46 5.080 3.258 2.051 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.500 3.503 0.750 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.898 3.678 3.093 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.695 4.147 0.494 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.094 4.324 2.847 1.00 0.00 C ATOM 706 CZ TYR A 46 7.488 4.556 1.546 1.00 0.00 C ATOM 707 OH TYR A 46 8.680 5.197 1.296 1.00 0.00 O ATOM 0 H TYR A 46 1.830 1.055 2.712 1.00 0.00 H new ATOM 0 HA TYR A 46 3.804 0.982 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.975 3.054 1.776 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.534 2.644 3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.881 3.184 -0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.593 3.496 4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.007 4.329 -0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.717 4.645 3.669 1.00 0.00 H new ATOM 0 HH TYR A 46 9.116 5.419 2.145 1.00 0.00 H new ATOM 717 N LYS A 47 5.151 0.411 3.834 1.00 0.00 N ATOM 718 CA LYS A 47 6.293 -0.199 4.504 1.00 0.00 C ATOM 719 C LYS A 47 6.307 -1.710 4.290 1.00 0.00 C ATOM 720 O LYS A 47 7.312 -2.372 4.546 1.00 0.00 O ATOM 721 CB LYS A 47 6.260 0.114 6.001 1.00 0.00 C ATOM 722 CG LYS A 47 6.407 1.593 6.316 1.00 0.00 C ATOM 723 CD LYS A 47 7.843 2.059 6.149 1.00 0.00 C ATOM 724 CE LYS A 47 8.646 1.860 7.426 1.00 0.00 C ATOM 725 NZ LYS A 47 10.112 1.873 7.167 1.00 0.00 N ATOM 0 H LYS A 47 4.472 0.838 4.464 1.00 0.00 H new ATOM 0 HA LYS A 47 7.202 0.220 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.320 -0.246 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.060 -0.436 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.757 2.172 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.079 1.783 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.313 1.509 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.855 3.113 5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.396 2.646 8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.367 0.912 7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.548 1.033 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.283 1.864 6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.530 2.731 7.581 1.00 0.00 H new ATOM 739 N GLN A 48 5.185 -2.246 3.819 1.00 0.00 N ATOM 740 CA GLN A 48 5.070 -3.678 3.571 1.00 0.00 C ATOM 741 C GLN A 48 5.483 -4.018 2.143 1.00 0.00 C ATOM 742 O GLN A 48 5.915 -5.135 1.861 1.00 0.00 O ATOM 743 CB GLN A 48 3.636 -4.147 3.825 1.00 0.00 C ATOM 744 CG GLN A 48 3.507 -5.654 3.980 1.00 0.00 C ATOM 745 CD GLN A 48 3.713 -6.113 5.410 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.609 -5.323 6.349 1.00 0.00 O ATOM 747 NE2 GLN A 48 4.007 -7.396 5.584 1.00 0.00 N ATOM 0 H GLN A 48 4.344 -1.711 3.602 1.00 0.00 H new ATOM 0 HA GLN A 48 5.741 -4.195 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.259 -3.664 4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.004 -3.820 3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.520 -5.967 3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.236 -6.145 3.336 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.083 -8.016 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.156 -7.762 6.524 1.00 0.00 H new ATOM 756 N ALA A 49 5.347 -3.047 1.246 1.00 0.00 N ATOM 757 CA ALA A 49 5.708 -3.243 -0.153 1.00 0.00 C ATOM 758 C ALA A 49 7.068 -2.626 -0.460 1.00 0.00 C ATOM 759 O ALA A 49 7.496 -2.584 -1.614 1.00 0.00 O ATOM 760 CB ALA A 49 4.640 -2.652 -1.061 1.00 0.00 C ATOM 0 H ALA A 49 4.989 -2.117 1.463 1.00 0.00 H new ATOM 0 HA ALA A 49 5.775 -4.315 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.922 -2.805 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.686 -3.142 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.545 -1.584 -0.864 1.00 0.00 H new ATOM 766 N THR A 50 7.744 -2.146 0.579 1.00 0.00 N ATOM 767 CA THR A 50 9.055 -1.530 0.420 1.00 0.00 C ATOM 768 C THR A 50 10.076 -2.158 1.361 1.00 0.00 C ATOM 769 O THR A 50 11.230 -2.367 0.988 1.00 0.00 O ATOM 770 CB THR A 50 8.998 -0.013 0.681 1.00 0.00 C ATOM 771 OG1 THR A 50 8.462 0.240 1.985 1.00 0.00 O ATOM 772 CG2 THR A 50 8.145 0.685 -0.367 1.00 0.00 C ATOM 0 H THR A 50 7.405 -2.172 1.541 1.00 0.00 H new ATOM 0 HA THR A 50 9.362 -1.703 -0.612 1.00 0.00 H new ATOM 0 HB THR A 50 10.012 0.382 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.489 0.342 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.120 1.755 -0.162 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.572 0.515 -1.356 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.131 0.286 -0.336 1.00 0.00 H new ATOM 780 N GLU A 51 9.644 -2.456 2.582 1.00 0.00 N ATOM 781 CA GLU A 51 10.523 -3.061 3.576 1.00 0.00 C ATOM 782 C GLU A 51 10.127 -4.510 3.843 1.00 0.00 C ATOM 783 O GLU A 51 10.982 -5.382 3.991 1.00 0.00 O ATOM 784 CB GLU A 51 10.482 -2.261 4.880 1.00 0.00 C ATOM 785 CG GLU A 51 10.654 -0.764 4.681 1.00 0.00 C ATOM 786 CD GLU A 51 12.103 -0.365 4.479 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.716 -0.833 3.497 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.623 0.415 5.303 1.00 0.00 O ATOM 0 H GLU A 51 8.692 -2.289 2.907 1.00 0.00 H new ATOM 0 HA GLU A 51 11.539 -3.047 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.531 -2.446 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.267 -2.623 5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.070 -0.447 3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.254 -0.238 5.547 1.00 0.00 H new ATOM 795 N GLY A 52 8.822 -4.759 3.905 1.00 0.00 N ATOM 796 CA GLY A 52 8.334 -6.103 4.155 1.00 0.00 C ATOM 797 C GLY A 52 7.561 -6.206 5.454 1.00 0.00 C ATOM 798 O GLY A 52 6.792 -5.316 5.817 1.00 0.00 O ATOM 0 H GLY A 52 8.094 -4.054 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.694 -6.413 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.177 -6.793 4.182 1.00 0.00 H new ATOM 802 N PRO A 53 7.760 -7.317 6.179 1.00 0.00 N ATOM 803 CA PRO A 53 7.084 -7.561 7.456 1.00 0.00 C ATOM 804 C PRO A 53 7.579 -6.634 8.561 1.00 0.00 C ATOM 805 O PRO A 53 8.770 -6.333 8.644 1.00 0.00 O ATOM 806 CB PRO A 53 7.444 -9.014 7.777 1.00 0.00 C ATOM 807 CG PRO A 53 8.726 -9.254 7.057 1.00 0.00 C ATOM 808 CD PRO A 53 8.662 -8.420 5.808 1.00 0.00 C ATOM 0 HA PRO A 53 6.012 -7.378 7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.558 -9.166 8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.666 -9.699 7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.579 -8.969 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.846 -10.310 6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.647 -8.053 5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.274 -8.990 4.964 1.00 0.00 H new ATOM 816 N CYS A 54 6.658 -6.184 9.406 1.00 0.00 N ATOM 817 CA CYS A 54 7.002 -5.290 10.506 1.00 0.00 C ATOM 818 C CYS A 54 8.185 -5.834 11.300 1.00 0.00 C ATOM 819 O CYS A 54 8.047 -6.790 12.061 1.00 0.00 O ATOM 820 CB CYS A 54 5.798 -5.097 11.429 1.00 0.00 C ATOM 821 SG CYS A 54 6.187 -4.264 12.986 1.00 0.00 S ATOM 0 H CYS A 54 5.668 -6.423 9.351 1.00 0.00 H new ATOM 0 HA CYS A 54 7.285 -4.326 10.083 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.038 -4.521 10.901 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.363 -6.072 11.650 1.00 0.00 H new ATOM 0 HG CYS A 54 5.375 -4.677 13.914 1.00 0.00 H new ATOM 827 N ASN A 55 9.348 -5.218 11.115 1.00 0.00 N ATOM 828 CA ASN A 55 10.557 -5.642 11.812 1.00 0.00 C ATOM 829 C ASN A 55 11.058 -4.546 12.748 1.00 0.00 C ATOM 830 O ASN A 55 12.186 -4.602 13.238 1.00 0.00 O ATOM 831 CB ASN A 55 11.650 -6.008 10.805 1.00 0.00 C ATOM 832 CG ASN A 55 12.483 -4.809 10.396 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.581 -4.597 10.912 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.964 -4.018 9.464 1.00 0.00 N ATOM 0 H ASN A 55 9.479 -4.424 10.489 1.00 0.00 H new ATOM 0 HA ASN A 55 10.313 -6.521 12.409 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.300 -6.768 11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.192 -6.448 9.919 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.479 -3.196 9.148 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.051 -4.232 9.064 1.00 0.00 H new ATOM 841 N MET A 56 10.212 -3.551 12.991 1.00 0.00 N ATOM 842 CA MET A 56 10.568 -2.443 13.870 1.00 0.00 C ATOM 843 C MET A 56 10.197 -2.754 15.316 1.00 0.00 C ATOM 844 O MET A 56 9.283 -3.532 15.594 1.00 0.00 O ATOM 845 CB MET A 56 9.870 -1.159 13.416 1.00 0.00 C ATOM 846 CG MET A 56 8.396 -1.350 13.096 1.00 0.00 C ATOM 847 SD MET A 56 7.553 0.206 12.749 1.00 0.00 S ATOM 848 CE MET A 56 8.107 1.206 14.128 1.00 0.00 C ATOM 0 H MET A 56 9.275 -3.489 12.592 1.00 0.00 H new ATOM 0 HA MET A 56 11.647 -2.300 13.814 1.00 0.00 H new ATOM 0 HB2 MET A 56 9.969 -0.405 14.197 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.378 -0.772 12.533 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.298 -2.012 12.235 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.907 -1.844 13.935 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.380 1.994 14.321 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.207 0.580 15.014 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.072 1.653 13.889 1.00 0.00 H new ATOM 858 N PRO A 57 10.920 -2.135 16.260 1.00 0.00 N ATOM 859 CA PRO A 57 10.684 -2.331 17.694 1.00 0.00 C ATOM 860 C PRO A 57 9.370 -1.710 18.155 1.00 0.00 C ATOM 861 O PRO A 57 9.056 -0.569 17.814 1.00 0.00 O ATOM 862 CB PRO A 57 11.870 -1.619 18.349 1.00 0.00 C ATOM 863 CG PRO A 57 12.295 -0.595 17.354 1.00 0.00 C ATOM 864 CD PRO A 57 12.024 -1.195 16.002 1.00 0.00 C ATOM 0 HA PRO A 57 10.606 -3.387 17.954 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.582 -1.157 19.293 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.678 -2.317 18.569 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.740 0.333 17.488 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.352 -0.354 17.469 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.742 -0.434 15.274 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.902 -1.705 15.606 1.00 0.00 H new ATOM 872 N LYS A 58 8.604 -2.468 18.933 1.00 0.00 N ATOM 873 CA LYS A 58 7.323 -1.992 19.443 1.00 0.00 C ATOM 874 C LYS A 58 7.512 -0.764 20.328 1.00 0.00 C ATOM 875 O LYS A 58 8.152 -0.819 21.378 1.00 0.00 O ATOM 876 CB LYS A 58 6.623 -3.100 20.232 1.00 0.00 C ATOM 877 CG LYS A 58 5.175 -2.786 20.567 1.00 0.00 C ATOM 878 CD LYS A 58 4.425 -4.028 21.020 1.00 0.00 C ATOM 879 CE LYS A 58 2.986 -3.705 21.393 1.00 0.00 C ATOM 880 NZ LYS A 58 2.376 -4.778 22.227 1.00 0.00 N ATOM 0 H LYS A 58 8.848 -3.415 19.224 1.00 0.00 H new ATOM 0 HA LYS A 58 6.702 -1.712 18.592 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.662 -4.025 19.656 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.171 -3.278 21.157 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.138 -2.031 21.352 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.682 -2.361 19.693 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.437 -4.772 20.224 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.934 -4.469 21.877 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.955 -2.761 21.936 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.397 -3.571 20.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.396 -4.521 22.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.383 -5.674 21.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.923 -4.889 23.104 1.00 0.00 H new ATOM 894 N PRO A 59 6.943 0.371 19.896 1.00 0.00 N ATOM 895 CA PRO A 59 7.033 1.633 20.636 1.00 0.00 C ATOM 896 C PRO A 59 6.227 1.605 21.930 1.00 0.00 C ATOM 897 O PRO A 59 5.459 0.676 22.175 1.00 0.00 O ATOM 898 CB PRO A 59 6.446 2.658 19.662 1.00 0.00 C ATOM 899 CG PRO A 59 5.537 1.868 18.784 1.00 0.00 C ATOM 900 CD PRO A 59 6.165 0.509 18.653 1.00 0.00 C ATOM 0 HA PRO A 59 8.055 1.853 20.943 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.903 3.441 20.191 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.229 3.148 19.083 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.540 1.797 19.218 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.427 2.342 17.809 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.412 -0.274 18.561 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.802 0.444 17.771 1.00 0.00 H new ATOM 908 N GLY A 60 6.408 2.631 22.757 1.00 0.00 N ATOM 909 CA GLY A 60 5.691 2.704 24.016 1.00 0.00 C ATOM 910 C GLY A 60 4.342 3.382 23.876 1.00 0.00 C ATOM 911 O GLY A 60 4.151 4.226 23.001 1.00 0.00 O ATOM 0 H GLY A 60 7.038 3.412 22.577 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.549 1.697 24.409 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.294 3.248 24.743 1.00 0.00 H new ATOM 915 N VAL A 61 3.403 3.011 24.740 1.00 0.00 N ATOM 916 CA VAL A 61 2.064 3.588 24.709 1.00 0.00 C ATOM 917 C VAL A 61 2.123 5.102 24.545 1.00 0.00 C ATOM 918 O VAL A 61 1.495 5.665 23.648 1.00 0.00 O ATOM 919 CB VAL A 61 1.278 3.251 25.990 1.00 0.00 C ATOM 920 CG1 VAL A 61 0.838 1.795 25.979 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.114 3.555 27.224 1.00 0.00 C ATOM 0 H VAL A 61 3.545 2.313 25.470 1.00 0.00 H new ATOM 0 HA VAL A 61 1.551 3.152 23.852 1.00 0.00 H new ATOM 0 HB VAL A 61 0.385 3.875 26.022 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.284 1.575 26.892 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.199 1.615 25.115 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.715 1.150 25.923 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.543 3.311 28.120 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.026 2.959 27.202 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.373 4.614 27.236 1.00 0.00 H new ATOM 931 N PHE A 62 2.881 5.758 25.418 1.00 0.00 N ATOM 932 CA PHE A 62 3.022 7.208 25.371 1.00 0.00 C ATOM 933 C PHE A 62 3.178 7.693 23.932 1.00 0.00 C ATOM 934 O PHE A 62 2.770 8.803 23.592 1.00 0.00 O ATOM 935 CB PHE A 62 4.225 7.653 26.205 1.00 0.00 C ATOM 936 CG PHE A 62 4.394 6.873 27.477 1.00 0.00 C ATOM 937 CD1 PHE A 62 3.306 6.614 28.296 1.00 0.00 C ATOM 938 CD2 PHE A 62 5.640 6.398 27.854 1.00 0.00 C ATOM 939 CE1 PHE A 62 3.459 5.897 29.467 1.00 0.00 C ATOM 940 CE2 PHE A 62 5.798 5.680 29.025 1.00 0.00 C ATOM 941 CZ PHE A 62 4.706 5.428 29.832 1.00 0.00 C ATOM 0 H PHE A 62 3.407 5.308 26.167 1.00 0.00 H new ATOM 0 HA PHE A 62 2.117 7.649 25.789 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.130 7.554 25.605 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.117 8.710 26.448 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.328 6.977 28.016 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.497 6.591 27.226 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.604 5.703 30.097 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.775 5.316 29.308 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.827 4.866 30.746 1.00 0.00 H new ATOM 951 N ASP A 63 3.774 6.853 23.093 1.00 0.00 N ATOM 952 CA ASP A 63 3.985 7.194 21.691 1.00 0.00 C ATOM 953 C ASP A 63 2.815 6.719 20.834 1.00 0.00 C ATOM 954 O ASP A 63 2.936 5.752 20.082 1.00 0.00 O ATOM 955 CB ASP A 63 5.289 6.576 21.184 1.00 0.00 C ATOM 956 CG ASP A 63 6.484 7.481 21.410 1.00 0.00 C ATOM 957 OD1 ASP A 63 6.687 8.409 20.600 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.217 7.261 22.397 1.00 0.00 O ATOM 0 H ASP A 63 4.120 5.931 23.359 1.00 0.00 H new ATOM 0 HA ASP A 63 4.052 8.279 21.613 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.457 5.624 21.688 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.196 6.361 20.120 1.00 0.00 H new ATOM 963 N LEU A 64 1.684 7.405 20.954 1.00 0.00 N ATOM 964 CA LEU A 64 0.491 7.052 20.191 1.00 0.00 C ATOM 965 C LEU A 64 0.740 7.198 18.693 1.00 0.00 C ATOM 966 O LEU A 64 0.250 6.401 17.892 1.00 0.00 O ATOM 967 CB LEU A 64 -0.686 7.933 20.612 1.00 0.00 C ATOM 968 CG LEU A 64 -0.992 7.974 22.110 1.00 0.00 C ATOM 969 CD1 LEU A 64 -2.111 8.963 22.399 1.00 0.00 C ATOM 970 CD2 LEU A 64 -1.360 6.587 22.617 1.00 0.00 C ATOM 0 H LEU A 64 1.567 8.208 21.572 1.00 0.00 H new ATOM 0 HA LEU A 64 0.250 6.010 20.401 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.492 8.951 20.273 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.578 7.588 20.089 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.097 8.306 22.636 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.315 8.979 23.470 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.810 9.958 22.072 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.011 8.661 21.863 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.575 6.635 23.685 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.241 6.227 22.086 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.528 5.904 22.444 1.00 0.00 H new ATOM 982 N ILE A 65 1.506 8.218 18.323 1.00 0.00 N ATOM 983 CA ILE A 65 1.823 8.466 16.922 1.00 0.00 C ATOM 984 C ILE A 65 2.516 7.261 16.294 1.00 0.00 C ATOM 985 O ILE A 65 2.049 6.715 15.296 1.00 0.00 O ATOM 986 CB ILE A 65 2.723 9.705 16.758 1.00 0.00 C ATOM 987 CG1 ILE A 65 1.947 10.976 17.109 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.264 9.783 15.338 1.00 0.00 C ATOM 989 CD1 ILE A 65 2.042 11.358 18.570 1.00 0.00 C ATOM 0 H ILE A 65 1.919 8.886 18.974 1.00 0.00 H new ATOM 0 HA ILE A 65 0.877 8.645 16.412 1.00 0.00 H new ATOM 0 HB ILE A 65 3.567 9.616 17.443 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.321 11.800 16.501 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.899 10.836 16.846 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.898 10.664 15.238 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.848 8.889 15.122 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.433 9.852 14.636 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.468 12.268 18.746 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.641 10.552 19.184 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.085 11.530 18.834 1.00 0.00 H new ATOM 1001 N ASN A 66 3.633 6.852 16.887 1.00 0.00 N ATOM 1002 CA ASN A 66 4.390 5.711 16.387 1.00 0.00 C ATOM 1003 C ASN A 66 3.606 4.415 16.569 1.00 0.00 C ATOM 1004 O ASN A 66 3.497 3.607 15.647 1.00 0.00 O ATOM 1005 CB ASN A 66 5.737 5.611 17.107 1.00 0.00 C ATOM 1006 CG ASN A 66 6.590 6.849 16.911 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.473 6.879 16.054 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.330 7.879 17.708 1.00 0.00 N ATOM 0 H ASN A 66 4.034 7.294 17.714 1.00 0.00 H new ATOM 0 HA ASN A 66 4.565 5.862 15.322 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.566 5.456 18.172 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.278 4.739 16.741 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.872 8.739 17.623 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.588 7.810 18.405 1.00 0.00 H new ATOM 1015 N LYS A 67 3.061 4.224 17.766 1.00 0.00 N ATOM 1016 CA LYS A 67 2.285 3.028 18.071 1.00 0.00 C ATOM 1017 C LYS A 67 1.142 2.852 17.076 1.00 0.00 C ATOM 1018 O LYS A 67 0.870 1.743 16.618 1.00 0.00 O ATOM 1019 CB LYS A 67 1.728 3.105 19.494 1.00 0.00 C ATOM 1020 CG LYS A 67 1.201 1.779 20.014 1.00 0.00 C ATOM 1021 CD LYS A 67 2.330 0.804 20.302 1.00 0.00 C ATOM 1022 CE LYS A 67 1.872 -0.328 21.208 1.00 0.00 C ATOM 1023 NZ LYS A 67 1.046 -1.326 20.475 1.00 0.00 N ATOM 0 H LYS A 67 3.143 4.882 18.541 1.00 0.00 H new ATOM 0 HA LYS A 67 2.948 2.166 17.993 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.511 3.462 20.163 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.925 3.841 19.521 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.624 1.947 20.923 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.522 1.344 19.281 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.704 0.392 19.365 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.159 1.334 20.771 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.742 -0.823 21.639 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.295 0.081 22.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.754 -2.081 21.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.202 -0.859 20.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.604 -1.736 19.699 1.00 0.00 H new ATOM 1037 N ALA A 68 0.478 3.955 16.744 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.633 3.923 15.801 1.00 0.00 C ATOM 1039 C ALA A 68 -0.237 3.211 14.511 1.00 0.00 C ATOM 1040 O ALA A 68 -0.996 2.401 13.979 1.00 0.00 O ATOM 1041 CB ALA A 68 -1.112 5.335 15.501 1.00 0.00 C ATOM 0 H ALA A 68 0.690 4.881 17.114 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.450 3.364 16.258 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.942 5.295 14.795 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.443 5.811 16.424 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.295 5.912 15.068 1.00 0.00 H new ATOM 1047 N LYS A 69 0.955 3.520 14.013 1.00 0.00 N ATOM 1048 CA LYS A 69 1.453 2.910 12.785 1.00 0.00 C ATOM 1049 C LYS A 69 1.873 1.464 13.028 1.00 0.00 C ATOM 1050 O LYS A 69 1.485 0.563 12.284 1.00 0.00 O ATOM 1051 CB LYS A 69 2.636 3.711 12.237 1.00 0.00 C ATOM 1052 CG LYS A 69 2.230 4.813 11.273 1.00 0.00 C ATOM 1053 CD LYS A 69 1.883 6.097 12.007 1.00 0.00 C ATOM 1054 CE LYS A 69 1.346 7.155 11.056 1.00 0.00 C ATOM 1055 NZ LYS A 69 2.441 7.950 10.434 1.00 0.00 N ATOM 0 H LYS A 69 1.595 4.189 14.441 1.00 0.00 H new ATOM 0 HA LYS A 69 0.647 2.917 12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.183 4.152 13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.321 3.031 11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.043 5.002 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.372 4.486 10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.140 5.888 12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.769 6.478 12.514 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.757 6.675 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.675 7.822 11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.033 8.660 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.988 8.429 11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.067 7.317 9.896 1.00 0.00 H new ATOM 1069 N TRP A 70 2.666 1.251 14.071 1.00 0.00 N ATOM 1070 CA TRP A 70 3.137 -0.087 14.412 1.00 0.00 C ATOM 1071 C TRP A 70 2.011 -1.108 14.293 1.00 0.00 C ATOM 1072 O TRP A 70 2.210 -2.208 13.777 1.00 0.00 O ATOM 1073 CB TRP A 70 3.708 -0.103 15.830 1.00 0.00 C ATOM 1074 CG TRP A 70 4.623 -1.262 16.090 1.00 0.00 C ATOM 1075 CD1 TRP A 70 5.950 -1.343 15.781 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.275 -2.505 16.709 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.450 -2.563 16.171 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.442 -3.293 16.744 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.093 -3.029 17.239 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.458 -4.576 17.286 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.111 -4.302 17.777 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.287 -5.063 17.798 1.00 0.00 C ATOM 0 H TRP A 70 2.997 1.987 14.695 1.00 0.00 H new ATOM 0 HA TRP A 70 3.924 -0.358 13.708 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.251 0.826 16.006 1.00 0.00 H new ATOM 0 HB3 TRP A 70 2.886 -0.131 16.545 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.523 -0.564 15.301 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.414 -2.874 16.053 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.182 -2.450 17.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.363 -5.165 17.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.203 -4.717 18.188 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.269 -6.054 18.227 1.00 0.00 H new ATOM 1093 N ASP A 71 0.829 -0.736 14.771 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.330 -1.620 14.717 1.00 0.00 C ATOM 1095 C ASP A 71 -0.841 -1.759 13.286 1.00 0.00 C ATOM 1096 O ASP A 71 -1.408 -2.787 12.917 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.445 -1.090 15.620 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.196 -1.391 17.085 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -1.191 -2.584 17.454 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.004 -0.433 17.863 1.00 0.00 O ATOM 0 H ASP A 71 0.648 0.171 15.200 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.022 -2.604 15.072 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.537 -0.012 15.484 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.394 -1.532 15.318 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.635 -0.718 12.486 1.00 0.00 N ATOM 1106 CA ALA A 72 -1.074 -0.724 11.096 1.00 0.00 C ATOM 1107 C ALA A 72 -0.168 -1.602 10.239 1.00 0.00 C ATOM 1108 O ALA A 72 -0.644 -2.417 9.449 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.111 0.694 10.548 1.00 0.00 C ATOM 0 H ALA A 72 -0.167 0.140 12.777 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.080 -1.141 11.060 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.441 0.674 9.509 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.805 1.294 11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.114 1.132 10.604 1.00 0.00 H new ATOM 1115 N TRP A 73 1.139 -1.428 10.399 1.00 0.00 N ATOM 1116 CA TRP A 73 2.112 -2.204 9.638 1.00 0.00 C ATOM 1117 C TRP A 73 2.257 -3.609 10.214 1.00 0.00 C ATOM 1118 O TRP A 73 2.421 -4.578 9.474 1.00 0.00 O ATOM 1119 CB TRP A 73 3.468 -1.498 9.635 1.00 0.00 C ATOM 1120 CG TRP A 73 4.497 -2.191 8.794 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.272 -3.155 7.853 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.912 -1.974 8.818 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.462 -3.551 7.291 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.483 -2.841 7.865 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.752 -1.131 9.551 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.854 -2.887 7.629 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.113 -1.179 9.315 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.653 -2.051 8.361 1.00 0.00 C ATOM 0 H TRP A 73 1.549 -0.757 11.048 1.00 0.00 H new ATOM 0 HA TRP A 73 1.752 -2.287 8.613 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.338 -0.479 9.271 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.834 -1.426 10.659 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.301 -3.548 7.589 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.568 -4.259 6.564 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.345 -0.455 10.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.273 -3.559 6.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.772 -0.533 9.876 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.721 -2.064 8.200 1.00 0.00 H new ATOM 1139 N ASN A 74 2.196 -3.711 11.538 1.00 0.00 N ATOM 1140 CA ASN A 74 2.322 -4.998 12.212 1.00 0.00 C ATOM 1141 C ASN A 74 1.193 -5.939 11.802 1.00 0.00 C ATOM 1142 O ASN A 74 1.433 -7.087 11.430 1.00 0.00 O ATOM 1143 CB ASN A 74 2.315 -4.805 13.730 1.00 0.00 C ATOM 1144 CG ASN A 74 2.315 -6.123 14.480 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.767 -7.144 13.963 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.805 -6.105 15.706 1.00 0.00 N ATOM 0 H ASN A 74 2.060 -2.918 12.165 1.00 0.00 H new ATOM 0 HA ASN A 74 3.270 -5.445 11.914 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.189 -4.223 14.024 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.436 -4.227 14.016 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.777 -6.961 16.259 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.441 -5.235 16.094 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.038 -5.443 11.872 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.204 -6.238 11.507 1.00 0.00 C ATOM 1155 C ALA A 75 -0.911 -7.117 10.295 1.00 0.00 C ATOM 1156 O ALA A 75 -1.197 -8.315 10.300 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.394 -5.332 11.228 1.00 0.00 C ATOM 0 H ALA A 75 -0.253 -4.494 12.178 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.446 -6.890 12.346 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.258 -5.939 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.625 -4.750 12.120 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.153 -4.657 10.407 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.339 -6.515 9.258 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.007 -7.243 8.038 1.00 0.00 C ATOM 1165 C LEU A 76 0.718 -8.545 8.361 1.00 0.00 C ATOM 1166 O LEU A 76 0.325 -9.617 7.902 1.00 0.00 O ATOM 1167 CB LEU A 76 0.860 -6.376 7.123 1.00 0.00 C ATOM 1168 CG LEU A 76 0.124 -5.303 6.320 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.667 -5.935 5.185 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.793 -4.494 7.226 1.00 0.00 C ATOM 0 H LEU A 76 -0.095 -5.525 9.237 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.937 -7.485 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.621 -5.888 7.732 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.382 -7.030 6.425 1.00 0.00 H new ATOM 0 HG LEU A 76 0.863 -4.628 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.184 -5.156 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.013 -6.469 4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.397 -6.633 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.309 -3.735 6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.526 -5.156 7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.202 -4.010 8.004 1.00 0.00 H new ATOM 1182 N GLY A 77 1.778 -8.445 9.158 1.00 0.00 N ATOM 1183 CA GLY A 77 2.540 -9.622 9.531 1.00 0.00 C ATOM 1184 C GLY A 77 3.558 -10.012 8.477 1.00 0.00 C ATOM 1185 O GLY A 77 4.329 -9.174 8.010 1.00 0.00 O ATOM 0 H GLY A 77 2.122 -7.569 9.552 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.052 -9.435 10.475 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.857 -10.455 9.698 1.00 0.00 H new ATOM 1189 N SER A 78 3.562 -11.287 8.104 1.00 0.00 N ATOM 1190 CA SER A 78 4.497 -11.788 7.103 1.00 0.00 C ATOM 1191 C SER A 78 3.927 -11.624 5.697 1.00 0.00 C ATOM 1192 O SER A 78 4.121 -12.479 4.832 1.00 0.00 O ATOM 1193 CB SER A 78 4.819 -13.260 7.366 1.00 0.00 C ATOM 1194 OG SER A 78 6.091 -13.605 6.844 1.00 0.00 O ATOM 0 H SER A 78 2.928 -11.993 8.480 1.00 0.00 H new ATOM 0 HA SER A 78 5.415 -11.204 7.175 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.798 -13.454 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.053 -13.890 6.913 1.00 0.00 H new ATOM 0 HG SER A 78 6.274 -14.550 7.026 1.00 0.00 H new ATOM 1200 N LEU A 79 3.223 -10.519 5.476 1.00 0.00 N ATOM 1201 CA LEU A 79 2.624 -10.240 4.176 1.00 0.00 C ATOM 1202 C LEU A 79 3.693 -9.877 3.150 1.00 0.00 C ATOM 1203 O LEU A 79 4.481 -8.950 3.340 1.00 0.00 O ATOM 1204 CB LEU A 79 1.607 -9.104 4.293 1.00 0.00 C ATOM 1205 CG LEU A 79 0.611 -8.972 3.140 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.337 -8.648 1.843 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.206 -10.248 2.992 1.00 0.00 C ATOM 0 H LEU A 79 3.053 -9.802 6.181 1.00 0.00 H new ATOM 0 HA LEU A 79 2.114 -11.142 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.046 -9.240 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.151 -8.164 4.386 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.071 -8.152 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.613 -8.558 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.877 -7.708 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.042 -9.446 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.909 -10.136 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.461 -11.086 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.756 -10.437 3.914 1.00 0.00 H new ATOM 1219 N PRO A 80 3.721 -10.622 2.035 1.00 0.00 N ATOM 1220 CA PRO A 80 4.687 -10.395 0.955 1.00 0.00 C ATOM 1221 C PRO A 80 4.418 -9.098 0.200 1.00 0.00 C ATOM 1222 O PRO A 80 3.272 -8.664 0.079 1.00 0.00 O ATOM 1223 CB PRO A 80 4.481 -11.602 0.036 1.00 0.00 C ATOM 1224 CG PRO A 80 3.080 -12.038 0.292 1.00 0.00 C ATOM 1225 CD PRO A 80 2.812 -11.742 1.741 1.00 0.00 C ATOM 0 HA PRO A 80 5.705 -10.298 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.627 -11.333 -1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.191 -12.398 0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.381 -11.503 -0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.957 -13.100 0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.770 -11.469 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.021 -12.605 2.373 1.00 0.00 H new ATOM 1233 N LYS A 81 5.480 -8.483 -0.308 1.00 0.00 N ATOM 1234 CA LYS A 81 5.360 -7.236 -1.053 1.00 0.00 C ATOM 1235 C LYS A 81 4.347 -7.375 -2.186 1.00 0.00 C ATOM 1236 O LYS A 81 3.439 -6.556 -2.323 1.00 0.00 O ATOM 1237 CB LYS A 81 6.720 -6.822 -1.619 1.00 0.00 C ATOM 1238 CG LYS A 81 7.721 -6.408 -0.555 1.00 0.00 C ATOM 1239 CD LYS A 81 9.046 -5.987 -1.168 1.00 0.00 C ATOM 1240 CE LYS A 81 10.115 -5.791 -0.105 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.479 -5.713 -0.697 1.00 0.00 N ATOM 0 H LYS A 81 6.435 -8.829 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 81 5.009 -6.465 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.134 -7.652 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.578 -5.994 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.312 -5.584 0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.885 -7.237 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.375 -6.743 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.912 -5.060 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.909 -4.878 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.075 -6.616 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.179 -5.579 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.686 -6.594 -1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.526 -4.911 -1.357 1.00 0.00 H new ATOM 1255 N GLU A 82 4.510 -8.418 -2.994 1.00 0.00 N ATOM 1256 CA GLU A 82 3.609 -8.664 -4.114 1.00 0.00 C ATOM 1257 C GLU A 82 2.166 -8.350 -3.730 1.00 0.00 C ATOM 1258 O GLU A 82 1.488 -7.573 -4.402 1.00 0.00 O ATOM 1259 CB GLU A 82 3.720 -10.117 -4.578 1.00 0.00 C ATOM 1260 CG GLU A 82 5.062 -10.455 -5.206 1.00 0.00 C ATOM 1261 CD GLU A 82 5.122 -11.878 -5.725 1.00 0.00 C ATOM 1262 OE1 GLU A 82 5.073 -12.814 -4.899 1.00 0.00 O ATOM 1263 OE2 GLU A 82 5.218 -12.057 -6.957 1.00 0.00 O ATOM 0 H GLU A 82 5.257 -9.106 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 82 3.901 -8.006 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.551 -10.775 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.929 -10.320 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.259 -9.765 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.851 -10.308 -4.469 1.00 0.00 H new ATOM 1270 N ALA A 83 1.702 -8.960 -2.644 1.00 0.00 N ATOM 1271 CA ALA A 83 0.341 -8.746 -2.169 1.00 0.00 C ATOM 1272 C ALA A 83 0.202 -7.384 -1.498 1.00 0.00 C ATOM 1273 O ALA A 83 -0.799 -6.692 -1.678 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.063 -9.854 -1.208 1.00 0.00 C ATOM 0 H ALA A 83 2.250 -9.607 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.326 -8.767 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.082 -9.681 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.012 -10.815 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.615 -9.860 -0.354 1.00 0.00 H new ATOM 1280 N ALA A 84 1.213 -7.006 -0.722 1.00 0.00 N ATOM 1281 CA ALA A 84 1.203 -5.726 -0.025 1.00 0.00 C ATOM 1282 C ALA A 84 0.854 -4.585 -0.976 1.00 0.00 C ATOM 1283 O ALA A 84 -0.008 -3.759 -0.678 1.00 0.00 O ATOM 1284 CB ALA A 84 2.552 -5.473 0.632 1.00 0.00 C ATOM 0 H ALA A 84 2.049 -7.568 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 84 0.436 -5.767 0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.531 -4.514 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.762 -6.267 1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.331 -5.457 -0.130 1.00 0.00 H new ATOM 1290 N ARG A 85 1.530 -4.547 -2.120 1.00 0.00 N ATOM 1291 CA ARG A 85 1.292 -3.506 -3.113 1.00 0.00 C ATOM 1292 C ARG A 85 -0.133 -3.585 -3.652 1.00 0.00 C ATOM 1293 O ARG A 85 -0.797 -2.564 -3.829 1.00 0.00 O ATOM 1294 CB ARG A 85 2.291 -3.632 -4.264 1.00 0.00 C ATOM 1295 CG ARG A 85 3.702 -3.204 -3.895 1.00 0.00 C ATOM 1296 CD ARG A 85 4.539 -2.919 -5.132 1.00 0.00 C ATOM 1297 NE ARG A 85 5.957 -3.188 -4.908 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.760 -2.380 -4.226 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.287 -1.257 -3.703 1.00 0.00 N ATOM 1300 NH2 ARG A 85 8.039 -2.694 -4.064 1.00 0.00 N ATOM 0 H ARG A 85 2.246 -5.224 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 85 1.426 -2.539 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.312 -4.667 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.945 -3.028 -5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.661 -2.313 -3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.178 -3.987 -3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.181 -3.530 -5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.410 -1.877 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 85 6.352 -4.044 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.304 -1.012 -3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.906 -0.638 -3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.407 -3.557 -4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.654 -2.072 -3.540 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.596 -4.804 -3.910 1.00 0.00 N ATOM 1315 CA GLN A 86 -1.942 -5.015 -4.430 1.00 0.00 C ATOM 1316 C GLN A 86 -2.990 -4.460 -3.470 1.00 0.00 C ATOM 1317 O GLN A 86 -4.025 -3.949 -3.894 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.191 -6.505 -4.670 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.231 -6.782 -5.744 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.514 -6.004 -5.529 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.239 -6.235 -4.561 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -4.802 -5.076 -6.434 1.00 0.00 N ATOM 0 H GLN A 86 -0.059 -5.660 -3.768 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.026 -4.483 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.252 -6.981 -4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.513 -6.966 -3.736 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.816 -6.529 -6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.456 -7.848 -5.760 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.172 -4.918 -7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.653 -4.521 -6.342 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.713 -4.566 -2.175 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.632 -4.076 -1.154 1.00 0.00 C ATOM 1333 C ASN A 87 -3.666 -2.551 -1.140 1.00 0.00 C ATOM 1334 O ASN A 87 -4.735 -1.944 -1.069 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.224 -4.601 0.224 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.521 -6.078 0.391 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.669 -6.474 0.591 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.483 -6.903 0.309 1.00 0.00 N ATOM 0 H ASN A 87 -1.860 -4.987 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.630 -4.442 -1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.158 -4.428 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.750 -4.038 0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.621 -7.908 0.413 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.548 -6.531 0.142 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.490 -1.937 -1.209 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.385 -0.483 -1.203 1.00 0.00 C ATOM 1347 C TYR A 88 -3.237 0.130 -2.310 1.00 0.00 C ATOM 1348 O TYR A 88 -4.082 0.989 -2.056 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.926 -0.056 -1.372 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.714 1.436 -1.251 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.111 2.299 -2.264 1.00 0.00 C ATOM 1352 CD2 TYR A 88 -0.117 1.983 -0.121 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.919 3.663 -2.158 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.078 3.346 -0.005 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.324 4.181 -1.026 1.00 0.00 C ATOM 1356 OH TYR A 88 -0.132 5.540 -0.916 1.00 0.00 O ATOM 0 H TYR A 88 -1.596 -2.424 -1.270 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.754 -0.122 -0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.319 -0.563 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.570 -0.387 -2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.578 1.897 -3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.200 1.331 0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.233 4.320 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.543 3.755 0.880 1.00 0.00 H new ATOM 0 HH TYR A 88 0.298 5.741 -0.059 1.00 0.00 H new ATOM 1366 N VAL A 89 -3.010 -0.319 -3.540 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.758 0.182 -4.687 1.00 0.00 C ATOM 1368 C VAL A 89 -5.240 -0.156 -4.568 1.00 0.00 C ATOM 1369 O VAL A 89 -6.099 0.622 -4.982 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.215 -0.396 -6.007 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.855 0.202 -6.334 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.134 -1.913 -5.930 1.00 0.00 C ATOM 0 H VAL A 89 -2.314 -1.029 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.636 1.265 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.904 -0.131 -6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.488 -0.219 -7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.948 1.283 -6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.154 -0.029 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.748 -2.305 -6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.468 -2.201 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.128 -2.322 -5.747 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.531 -1.320 -3.999 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.910 -1.762 -3.823 1.00 0.00 C ATOM 1384 C ASP A 90 -7.684 -0.787 -2.941 1.00 0.00 C ATOM 1385 O ASP A 90 -8.908 -0.686 -3.035 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.945 -3.163 -3.211 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.349 -3.731 -3.147 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.083 -3.614 -4.150 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.713 -4.294 -2.093 1.00 0.00 O ATOM 0 H ASP A 90 -4.831 -1.975 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.385 -1.792 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.313 -3.829 -3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.524 -3.128 -2.206 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.963 -0.073 -2.084 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.582 0.894 -1.184 1.00 0.00 C ATOM 1396 C LEU A 91 -7.821 2.223 -1.892 1.00 0.00 C ATOM 1397 O LEU A 91 -8.956 2.688 -1.997 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.701 1.110 0.048 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.266 2.040 1.122 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.403 3.456 0.583 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.607 1.525 1.622 1.00 0.00 C ATOM 0 H LEU A 91 -5.950 -0.145 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.546 0.494 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.503 0.140 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.742 1.509 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.571 2.059 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.807 4.104 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.424 3.824 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.076 3.455 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.994 2.199 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.311 1.476 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.479 0.530 2.048 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.743 2.830 -2.379 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.834 4.105 -3.081 1.00 0.00 C ATOM 1415 C VAL A 92 -8.002 4.109 -4.062 1.00 0.00 C ATOM 1416 O VAL A 92 -8.616 5.148 -4.307 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.535 4.420 -3.845 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.642 5.763 -4.551 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.343 4.399 -2.900 1.00 0.00 C ATOM 0 H VAL A 92 -5.796 2.459 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.996 4.872 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.384 3.650 -4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.714 5.968 -5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.470 5.737 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.818 6.548 -3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.433 4.624 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.484 5.146 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.256 3.412 -2.446 1.00 0.00 H new ATOM 1429 N SER A 93 -8.303 2.941 -4.620 1.00 0.00 N ATOM 1430 CA SER A 93 -9.395 2.810 -5.577 1.00 0.00 C ATOM 1431 C SER A 93 -10.745 2.984 -4.889 1.00 0.00 C ATOM 1432 O SER A 93 -11.676 3.554 -5.457 1.00 0.00 O ATOM 1433 CB SER A 93 -9.334 1.447 -6.270 1.00 0.00 C ATOM 1434 OG SER A 93 -10.438 1.268 -7.140 1.00 0.00 O ATOM 0 H SER A 93 -7.806 2.072 -4.426 1.00 0.00 H new ATOM 0 HA SER A 93 -9.285 3.595 -6.325 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.405 1.363 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.325 0.655 -5.521 1.00 0.00 H new ATOM 0 HG SER A 93 -10.375 0.391 -7.572 1.00 0.00 H new ATOM 1440 N SER A 94 -10.843 2.487 -3.660 1.00 0.00 N ATOM 1441 CA SER A 94 -12.080 2.582 -2.893 1.00 0.00 C ATOM 1442 C SER A 94 -12.493 4.039 -2.708 1.00 0.00 C ATOM 1443 O SER A 94 -13.668 4.385 -2.839 1.00 0.00 O ATOM 1444 CB SER A 94 -11.912 1.911 -1.529 1.00 0.00 C ATOM 1445 OG SER A 94 -13.162 1.760 -0.878 1.00 0.00 O ATOM 0 H SER A 94 -10.081 2.014 -3.174 1.00 0.00 H new ATOM 0 HA SER A 94 -12.864 2.067 -3.449 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.444 0.935 -1.656 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.244 2.507 -0.907 1.00 0.00 H new ATOM 0 HG SER A 94 -13.028 1.327 -0.009 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.519 4.889 -2.403 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.780 6.310 -2.199 1.00 0.00 C ATOM 1453 C LEU A 95 -12.297 6.958 -3.480 1.00 0.00 C ATOM 1454 O LEU A 95 -13.326 7.634 -3.474 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.508 7.020 -1.733 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.969 6.602 -0.364 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.552 7.118 -0.168 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.881 7.106 0.745 1.00 0.00 C ATOM 0 H LEU A 95 -10.542 4.619 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.546 6.407 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.728 6.850 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.701 8.093 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.946 5.513 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.185 6.811 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.905 6.707 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.549 8.206 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.482 6.799 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.937 8.194 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.879 6.686 0.615 1.00 0.00 H new