USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 CYS SG : rot -120:sc= -0.0729 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -5.88! C(o=-5.9!,f=-19!) USER MOD Set 2.1: A 36 ASN : amide:sc= -10.5! C(o=-16!,f=-17!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -5.62 K(o=-16,f=-25!) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -2.37 K(o=-7.4,f=-3.2) USER MOD Set 3.2: A 107 GLN : amide:sc= -5.01! C(o=-7.4!,f=-3.2!) USER MOD Single : A 25 SER OG : rot -130:sc= -2.33 USER MOD Single : A 27 GLN : amide:sc= -1.79 K(o=-1.8,f=-1) USER MOD Single : A 33 SER OG : rot 34:sc= -2.41! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.013) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.0398 (180deg=-0.402) USER MOD Single : A 63 TYR OH : rot 150:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= -1.1 (180deg=-1.8!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 32:sc= 0.0405 USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0499) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.56) USER MOD Single : A 90 HIS : no HE2:sc= -0.291 K(o=-0.29,f=-1.2) USER MOD Single : A 91 TYR OH : rot -1:sc= -1.06 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 157:sc= -0.548 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -23:sc= -13.8! USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.812 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 2.324 -6.834 -3.875 1.00 0.00 N ATOM 210 CA TRP A 15 2.264 -5.413 -3.539 1.00 0.00 C ATOM 211 C TRP A 15 1.454 -5.172 -2.249 1.00 0.00 C ATOM 212 O TRP A 15 1.172 -4.039 -1.891 1.00 0.00 O ATOM 213 CB TRP A 15 1.683 -4.582 -4.705 1.00 0.00 C ATOM 214 CG TRP A 15 0.632 -5.346 -5.491 1.00 0.00 C ATOM 215 CD1 TRP A 15 0.812 -5.908 -6.752 1.00 0.00 C ATOM 216 CD2 TRP A 15 -0.709 -5.621 -5.095 1.00 0.00 C ATOM 217 NE1 TRP A 15 -0.345 -6.517 -7.149 1.00 0.00 N ATOM 218 CE2 TRP A 15 -1.315 -6.364 -6.154 1.00 0.00 C ATOM 219 CE3 TRP A 15 -1.427 -5.306 -3.956 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -2.636 -6.782 -6.054 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -2.777 -5.727 -3.840 1.00 0.00 C ATOM 222 CH2 TRP A 15 -3.382 -6.466 -4.891 1.00 0.00 C ATOM 0 HA TRP A 15 3.287 -5.082 -3.363 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.244 -3.665 -4.311 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.490 -4.286 -5.375 1.00 0.00 H new ATOM 0 HD1 TRP A 15 1.725 -5.869 -7.327 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.480 -7.007 -8.033 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.963 -4.743 -3.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.091 -7.344 -6.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.344 -5.486 -2.953 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.410 -6.787 -4.804 1.00 0.00 H new ATOM 233 N PHE A 16 1.099 -6.290 -1.572 1.00 0.00 N ATOM 234 CA PHE A 16 0.356 -6.130 -0.333 1.00 0.00 C ATOM 235 C PHE A 16 0.697 -7.240 0.655 1.00 0.00 C ATOM 236 O PHE A 16 0.049 -8.278 0.706 1.00 0.00 O ATOM 237 CB PHE A 16 -1.133 -6.154 -0.632 1.00 0.00 C ATOM 238 CG PHE A 16 -1.957 -5.693 0.547 1.00 0.00 C ATOM 239 CD1 PHE A 16 -1.341 -5.375 1.787 1.00 0.00 C ATOM 240 CD2 PHE A 16 -3.369 -5.608 0.440 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.122 -4.987 2.898 1.00 0.00 C ATOM 242 CE2 PHE A 16 -4.148 -5.219 1.555 1.00 0.00 C ATOM 243 CZ PHE A 16 -3.525 -4.909 2.781 1.00 0.00 C ATOM 0 H PHE A 16 1.306 -7.249 -1.852 1.00 0.00 H new ATOM 0 HA PHE A 16 0.630 -5.175 0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.340 -5.515 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.431 -7.166 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.267 -5.430 1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.852 -5.841 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.645 -4.750 3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.223 -5.159 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.122 -4.612 3.630 1.00 0.00 H new ATOM 253 N HIS A 17 1.749 -6.950 1.435 1.00 0.00 N ATOM 254 CA HIS A 17 2.138 -7.912 2.445 1.00 0.00 C ATOM 255 C HIS A 17 1.656 -7.407 3.799 1.00 0.00 C ATOM 256 O HIS A 17 2.089 -6.375 4.299 1.00 0.00 O ATOM 257 CB HIS A 17 3.647 -8.092 2.461 1.00 0.00 C ATOM 258 CG HIS A 17 4.035 -9.185 1.495 1.00 0.00 C ATOM 259 ND1 HIS A 17 4.783 -10.260 1.832 1.00 0.00 N ATOM 260 CD2 HIS A 17 3.704 -9.292 0.135 1.00 0.00 C ATOM 261 CE1 HIS A 17 4.905 -11.001 0.718 1.00 0.00 C ATOM 262 NE2 HIS A 17 4.263 -10.437 -0.320 1.00 0.00 N ATOM 0 H HIS A 17 2.312 -6.101 1.384 1.00 0.00 H new ATOM 0 HA HIS A 17 1.688 -8.880 2.222 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.138 -7.158 2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.983 -8.345 3.467 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.115 -8.593 -0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.450 -11.932 0.663 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.208 -10.803 -1.270 1.00 0.00 H new ATOM 353 N GLU A 23 9.267 -0.584 7.519 1.00 0.00 N ATOM 354 CA GLU A 23 10.615 -0.306 7.114 1.00 0.00 C ATOM 355 C GLU A 23 11.095 -1.479 6.276 1.00 0.00 C ATOM 356 O GLU A 23 11.703 -1.341 5.223 1.00 0.00 O ATOM 357 CB GLU A 23 11.450 -0.169 8.382 1.00 0.00 C ATOM 358 CG GLU A 23 12.086 -1.482 8.831 1.00 0.00 C ATOM 359 CD GLU A 23 13.042 -1.226 9.998 1.00 0.00 C ATOM 360 OE1 GLU A 23 13.637 -0.152 10.044 1.00 0.00 O ATOM 361 OE2 GLU A 23 13.178 -2.105 10.848 1.00 0.00 O ATOM 0 HA GLU A 23 10.694 0.609 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.235 0.568 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.819 0.214 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.311 -2.187 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.626 -1.937 8.001 1.00 0.00 H new ATOM 368 N GLU A 24 10.760 -2.642 6.849 1.00 0.00 N ATOM 369 CA GLU A 24 11.117 -3.883 6.197 1.00 0.00 C ATOM 370 C GLU A 24 10.703 -3.841 4.720 1.00 0.00 C ATOM 371 O GLU A 24 11.386 -4.363 3.848 1.00 0.00 O ATOM 372 CB GLU A 24 10.418 -5.029 6.919 1.00 0.00 C ATOM 373 CG GLU A 24 10.681 -4.984 8.425 1.00 0.00 C ATOM 374 CD GLU A 24 12.116 -5.426 8.715 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.910 -5.495 7.778 1.00 0.00 O ATOM 376 OE2 GLU A 24 12.423 -5.698 9.874 1.00 0.00 O ATOM 0 H GLU A 24 10.259 -2.738 7.733 1.00 0.00 H new ATOM 0 HA GLU A 24 12.196 -4.031 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.345 -4.977 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.765 -5.980 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.519 -3.974 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.978 -5.635 8.946 1.00 0.00 H new ATOM 383 N SER A 25 9.556 -3.168 4.502 1.00 0.00 N ATOM 384 CA SER A 25 9.044 -3.072 3.142 1.00 0.00 C ATOM 385 C SER A 25 9.712 -1.925 2.369 1.00 0.00 C ATOM 386 O SER A 25 9.818 -1.958 1.148 1.00 0.00 O ATOM 387 CB SER A 25 7.537 -2.861 3.200 1.00 0.00 C ATOM 388 OG SER A 25 7.223 -1.496 3.092 1.00 0.00 O ATOM 0 H SER A 25 8.997 -2.706 5.219 1.00 0.00 H new ATOM 0 HA SER A 25 9.273 -3.997 2.613 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.056 -3.415 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.145 -3.257 4.137 1.00 0.00 H new ATOM 0 HG SER A 25 6.607 -1.244 3.811 1.00 0.00 H new ATOM 394 N GLU A 26 10.150 -0.916 3.145 1.00 0.00 N ATOM 395 CA GLU A 26 10.782 0.218 2.519 1.00 0.00 C ATOM 396 C GLU A 26 12.243 -0.109 2.166 1.00 0.00 C ATOM 397 O GLU A 26 12.852 0.523 1.310 1.00 0.00 O ATOM 398 CB GLU A 26 10.678 1.389 3.484 1.00 0.00 C ATOM 399 CG GLU A 26 11.939 2.234 3.479 1.00 0.00 C ATOM 400 CD GLU A 26 11.821 3.362 4.505 1.00 0.00 C ATOM 401 OE1 GLU A 26 10.700 3.699 4.881 1.00 0.00 O ATOM 402 OE2 GLU A 26 12.853 3.889 4.918 1.00 0.00 O ATOM 0 H GLU A 26 10.075 -0.877 4.161 1.00 0.00 H new ATOM 0 HA GLU A 26 10.288 0.474 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.823 2.009 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.494 1.015 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.804 1.612 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.102 2.651 2.485 1.00 0.00 H new ATOM 409 N GLN A 27 12.758 -1.133 2.874 1.00 0.00 N ATOM 410 CA GLN A 27 14.121 -1.549 2.592 1.00 0.00 C ATOM 411 C GLN A 27 14.055 -2.473 1.380 1.00 0.00 C ATOM 412 O GLN A 27 14.971 -2.573 0.577 1.00 0.00 O ATOM 413 CB GLN A 27 14.732 -2.261 3.797 1.00 0.00 C ATOM 414 CG GLN A 27 13.859 -3.418 4.271 1.00 0.00 C ATOM 415 CD GLN A 27 14.592 -4.211 5.355 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.156 -5.271 5.111 1.00 0.00 O ATOM 417 NE2 GLN A 27 14.540 -3.623 6.563 1.00 0.00 N ATOM 0 H GLN A 27 12.273 -1.655 3.604 1.00 0.00 H new ATOM 0 HA GLN A 27 14.758 -0.689 2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.722 -2.635 3.535 1.00 0.00 H new ATOM 0 HB3 GLN A 27 14.866 -1.549 4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.915 -3.037 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.617 -4.070 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.047 -2.737 6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.993 -4.063 7.364 1.00 0.00 H new ATOM 426 N ILE A 28 12.889 -3.139 1.309 1.00 0.00 N ATOM 427 CA ILE A 28 12.650 -4.001 0.207 1.00 0.00 C ATOM 428 C ILE A 28 12.539 -3.159 -1.051 1.00 0.00 C ATOM 429 O ILE A 28 13.008 -3.509 -2.126 1.00 0.00 O ATOM 430 CB ILE A 28 11.343 -4.702 0.500 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.554 -5.901 1.402 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.659 -5.125 -0.782 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.237 -6.320 2.045 1.00 0.00 C ATOM 0 H ILE A 28 12.136 -3.081 1.994 1.00 0.00 H new ATOM 0 HA ILE A 28 13.450 -4.727 0.060 1.00 0.00 H new ATOM 0 HB ILE A 28 10.699 -3.993 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.965 -6.730 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.283 -5.659 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.721 -5.627 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.456 -4.246 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.307 -5.807 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.405 -7.182 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.843 -5.495 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.520 -6.583 1.267 1.00 0.00 H new ATOM 445 N VAL A 29 11.858 -2.036 -0.835 1.00 0.00 N ATOM 446 CA VAL A 29 11.706 -1.112 -1.926 1.00 0.00 C ATOM 447 C VAL A 29 13.070 -0.568 -2.324 1.00 0.00 C ATOM 448 O VAL A 29 13.306 -0.161 -3.452 1.00 0.00 O ATOM 449 CB VAL A 29 10.800 0.020 -1.462 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.072 1.280 -2.264 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.332 -0.384 -1.556 1.00 0.00 C ATOM 0 H VAL A 29 11.425 -1.762 0.047 1.00 0.00 H new ATOM 0 HA VAL A 29 11.266 -1.607 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 29 11.020 0.229 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.416 2.079 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.111 1.580 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.885 1.087 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.705 0.442 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.087 -0.627 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.153 -1.256 -0.926 1.00 0.00 H new ATOM 461 N LEU A 30 13.941 -0.578 -1.319 1.00 0.00 N ATOM 462 CA LEU A 30 15.265 -0.126 -1.554 1.00 0.00 C ATOM 463 C LEU A 30 15.885 -1.032 -2.617 1.00 0.00 C ATOM 464 O LEU A 30 16.659 -0.613 -3.470 1.00 0.00 O ATOM 465 CB LEU A 30 15.980 -0.236 -0.214 1.00 0.00 C ATOM 466 CG LEU A 30 17.017 -1.348 -0.181 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.321 -0.891 -0.812 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.252 -1.810 1.242 1.00 0.00 C ATOM 0 H LEU A 30 13.742 -0.889 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 30 15.326 0.899 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.467 0.713 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.244 -0.410 0.571 1.00 0.00 H new ATOM 0 HG LEU A 30 16.634 -2.187 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.047 -1.703 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.144 -0.608 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.710 -0.033 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.997 -2.606 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.610 -0.973 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.318 -2.184 1.662 1.00 0.00 H new ATOM 480 N ILE A 31 15.468 -2.310 -2.492 1.00 0.00 N ATOM 481 CA ILE A 31 15.954 -3.295 -3.407 1.00 0.00 C ATOM 482 C ILE A 31 15.461 -2.968 -4.790 1.00 0.00 C ATOM 483 O ILE A 31 16.203 -2.625 -5.703 1.00 0.00 O ATOM 484 CB ILE A 31 15.409 -4.678 -3.056 1.00 0.00 C ATOM 485 CG1 ILE A 31 15.044 -4.839 -1.591 1.00 0.00 C ATOM 486 CG2 ILE A 31 16.395 -5.721 -3.475 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.131 -5.570 -0.800 1.00 0.00 C ATOM 0 H ILE A 31 14.818 -2.650 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 31 17.043 -3.296 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 31 14.475 -4.801 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.876 -3.856 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.107 -5.389 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.008 -6.709 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.558 -5.656 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.339 -5.559 -2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.824 -5.661 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.282 -6.564 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.063 -5.007 -0.856 1.00 0.00 H new ATOM 499 N GLY A 32 14.135 -3.116 -4.858 1.00 0.00 N ATOM 500 CA GLY A 32 13.485 -2.913 -6.127 1.00 0.00 C ATOM 501 C GLY A 32 12.752 -1.573 -6.213 1.00 0.00 C ATOM 502 O GLY A 32 12.222 -1.067 -5.235 1.00 0.00 O ATOM 0 H GLY A 32 13.525 -3.365 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.228 -2.967 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.775 -3.722 -6.299 1.00 0.00 H new ATOM 506 N SER A 33 12.770 -1.066 -7.471 1.00 0.00 N ATOM 507 CA SER A 33 12.121 0.211 -7.778 1.00 0.00 C ATOM 508 C SER A 33 13.159 1.191 -8.303 1.00 0.00 C ATOM 509 O SER A 33 14.344 1.115 -8.001 1.00 0.00 O ATOM 510 CB SER A 33 11.398 0.789 -6.569 1.00 0.00 C ATOM 511 OG SER A 33 10.664 1.924 -6.946 1.00 0.00 O ATOM 0 H SER A 33 13.220 -1.519 -8.267 1.00 0.00 H new ATOM 0 HA SER A 33 11.365 0.034 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.731 0.040 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.119 1.053 -5.795 1.00 0.00 H new ATOM 0 HG SER A 33 10.326 1.807 -7.859 1.00 0.00 H new ATOM 517 N LYS A 34 12.614 2.117 -9.106 1.00 0.00 N ATOM 518 CA LYS A 34 13.470 3.109 -9.725 1.00 0.00 C ATOM 519 C LYS A 34 12.641 3.951 -10.670 1.00 0.00 C ATOM 520 O LYS A 34 12.599 5.174 -10.623 1.00 0.00 O ATOM 521 CB LYS A 34 14.521 2.386 -10.550 1.00 0.00 C ATOM 522 CG LYS A 34 15.746 3.259 -10.790 1.00 0.00 C ATOM 523 CD LYS A 34 16.556 3.466 -9.510 1.00 0.00 C ATOM 524 CE LYS A 34 17.817 4.292 -9.773 1.00 0.00 C ATOM 525 NZ LYS A 34 18.660 4.412 -8.590 1.00 0.00 N ATOM 0 H LYS A 34 11.621 2.191 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 34 13.932 3.733 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.820 1.472 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.092 2.089 -11.507 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.378 2.798 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.432 4.226 -11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.939 3.969 -8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.834 2.498 -9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.389 3.830 -10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.532 5.287 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.501 4.980 -8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.125 4.877 -7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.956 3.465 -8.277 1.00 0.00 H new ATOM 539 N THR A 35 11.991 3.164 -11.530 1.00 0.00 N ATOM 540 CA THR A 35 11.151 3.733 -12.565 1.00 0.00 C ATOM 541 C THR A 35 10.030 4.625 -12.015 1.00 0.00 C ATOM 542 O THR A 35 9.219 5.169 -12.754 1.00 0.00 O ATOM 543 CB THR A 35 10.564 2.576 -13.356 1.00 0.00 C ATOM 544 OG1 THR A 35 11.228 1.377 -13.023 1.00 0.00 O ATOM 545 CG2 THR A 35 10.679 2.813 -14.849 1.00 0.00 C ATOM 0 H THR A 35 12.034 2.145 -11.525 1.00 0.00 H new ATOM 0 HA THR A 35 11.761 4.383 -13.192 1.00 0.00 H new ATOM 0 HB THR A 35 9.508 2.499 -13.098 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.842 0.636 -13.536 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.250 1.967 -15.386 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.141 3.723 -15.116 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.729 2.920 -15.121 1.00 0.00 H new ATOM 553 N ASN A 36 10.044 4.734 -10.692 1.00 0.00 N ATOM 554 CA ASN A 36 9.043 5.562 -10.039 1.00 0.00 C ATOM 555 C ASN A 36 7.640 5.016 -10.308 1.00 0.00 C ATOM 556 O ASN A 36 6.686 5.756 -10.514 1.00 0.00 O ATOM 557 CB ASN A 36 9.173 6.994 -10.550 1.00 0.00 C ATOM 558 CG ASN A 36 8.046 7.858 -9.982 1.00 0.00 C ATOM 559 OD1 ASN A 36 7.365 7.492 -9.032 1.00 0.00 O ATOM 560 ND2 ASN A 36 7.901 9.026 -10.634 1.00 0.00 N ATOM 0 H ASN A 36 10.712 4.277 -10.071 1.00 0.00 H new ATOM 0 HA ASN A 36 9.204 5.549 -8.961 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.139 7.406 -10.259 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.136 7.005 -11.639 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.179 9.685 -10.345 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.513 9.252 -11.418 1.00 0.00 H new ATOM 567 N GLY A 37 7.586 3.675 -10.292 1.00 0.00 N ATOM 568 CA GLY A 37 6.305 3.025 -10.509 1.00 0.00 C ATOM 569 C GLY A 37 6.161 1.764 -9.654 1.00 0.00 C ATOM 570 O GLY A 37 5.209 1.009 -9.794 1.00 0.00 O ATOM 0 H GLY A 37 8.379 3.053 -10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.499 3.720 -10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.202 2.765 -11.562 1.00 0.00 H new ATOM 574 N LYS A 38 7.156 1.574 -8.762 1.00 0.00 N ATOM 575 CA LYS A 38 7.073 0.405 -7.928 1.00 0.00 C ATOM 576 C LYS A 38 6.334 0.794 -6.669 1.00 0.00 C ATOM 577 O LYS A 38 6.387 1.930 -6.222 1.00 0.00 O ATOM 578 CB LYS A 38 8.449 -0.144 -7.610 1.00 0.00 C ATOM 579 CG LYS A 38 8.348 -1.614 -7.221 1.00 0.00 C ATOM 580 CD LYS A 38 9.686 -2.335 -7.345 1.00 0.00 C ATOM 581 CE LYS A 38 10.102 -2.507 -8.806 1.00 0.00 C ATOM 582 NZ LYS A 38 11.135 -3.523 -8.971 1.00 0.00 N ATOM 0 H LYS A 38 7.964 2.180 -8.620 1.00 0.00 H new ATOM 0 HA LYS A 38 6.538 -0.390 -8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.103 -0.033 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.898 0.426 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.988 -1.693 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.611 -2.106 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.453 -1.773 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.618 -3.313 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.230 -2.779 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.467 -1.555 -9.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.059 -3.944 -9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.072 -3.086 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.011 -4.264 -8.252 1.00 0.00 H new ATOM 596 N PHE A 39 5.647 -0.208 -6.123 1.00 0.00 N ATOM 597 CA PHE A 39 4.877 0.113 -4.932 1.00 0.00 C ATOM 598 C PHE A 39 4.493 -1.125 -4.123 1.00 0.00 C ATOM 599 O PHE A 39 4.277 -2.208 -4.643 1.00 0.00 O ATOM 600 CB PHE A 39 3.611 0.856 -5.369 1.00 0.00 C ATOM 601 CG PHE A 39 2.557 -0.100 -5.859 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.621 -0.641 -7.165 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.500 -0.479 -5.002 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.636 -1.554 -7.608 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.515 -1.389 -5.441 1.00 0.00 C ATOM 606 CZ PHE A 39 0.582 -1.929 -6.744 1.00 0.00 C ATOM 0 H PHE A 39 5.607 -1.172 -6.454 1.00 0.00 H new ATOM 0 HA PHE A 39 5.497 0.730 -4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.219 1.435 -4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.857 1.565 -6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.426 -0.355 -7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.445 -0.070 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.689 -1.964 -8.606 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.291 -1.673 -4.780 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.171 -2.627 -7.080 1.00 0.00 H new ATOM 616 N LEU A 40 4.379 -0.847 -2.816 1.00 0.00 N ATOM 617 CA LEU A 40 3.956 -1.883 -1.904 1.00 0.00 C ATOM 618 C LEU A 40 3.138 -1.216 -0.800 1.00 0.00 C ATOM 619 O LEU A 40 3.467 -0.138 -0.320 1.00 0.00 O ATOM 620 CB LEU A 40 5.167 -2.599 -1.328 1.00 0.00 C ATOM 621 CG LEU A 40 5.742 -1.852 -0.125 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.891 -2.094 1.124 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.181 -2.293 0.119 1.00 0.00 C ATOM 0 H LEU A 40 4.570 0.060 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 40 3.350 -2.630 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.886 -3.609 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.933 -2.696 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 40 5.729 -0.784 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.320 -1.552 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.875 -1.742 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.871 -3.160 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.585 -1.757 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.205 -3.365 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.783 -2.073 -0.762 1.00 0.00 H new ATOM 635 N ILE A 41 2.044 -1.907 -0.452 1.00 0.00 N ATOM 636 CA ILE A 41 1.189 -1.362 0.588 1.00 0.00 C ATOM 637 C ILE A 41 1.286 -2.241 1.831 1.00 0.00 C ATOM 638 O ILE A 41 1.644 -3.411 1.778 1.00 0.00 O ATOM 639 CB ILE A 41 -0.252 -1.290 0.090 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.224 -1.198 1.264 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.585 -2.506 -0.760 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.027 0.091 2.061 1.00 0.00 C ATOM 0 H ILE A 41 1.748 -2.796 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 41 1.515 -0.353 0.842 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.353 -0.393 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.248 -1.244 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.084 -2.057 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.616 -2.437 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.084 -2.543 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.462 -3.411 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.737 0.120 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.011 0.124 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.193 0.950 1.411 1.00 0.00 H new ATOM 654 N ARG A 42 0.943 -1.582 2.945 1.00 0.00 N ATOM 655 CA ARG A 42 0.979 -2.277 4.217 1.00 0.00 C ATOM 656 C ARG A 42 -0.232 -1.850 5.041 1.00 0.00 C ATOM 657 O ARG A 42 -0.431 -0.678 5.337 1.00 0.00 O ATOM 658 CB ARG A 42 2.276 -1.942 4.949 1.00 0.00 C ATOM 659 CG ARG A 42 2.170 -2.246 6.444 1.00 0.00 C ATOM 660 CD ARG A 42 1.870 -0.984 7.252 1.00 0.00 C ATOM 661 NE ARG A 42 1.261 -1.331 8.524 1.00 0.00 N ATOM 662 CZ ARG A 42 1.032 -0.352 9.419 1.00 0.00 C ATOM 663 NH1 ARG A 42 1.372 0.903 9.138 1.00 0.00 N ATOM 664 NH2 ARG A 42 0.465 -0.639 10.588 1.00 0.00 N ATOM 0 H ARG A 42 0.649 -0.606 2.984 1.00 0.00 H new ATOM 0 HA ARG A 42 0.945 -3.355 4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.097 -2.515 4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.513 -0.888 4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.384 -2.982 6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.102 -2.690 6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.791 -0.426 7.422 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.203 -0.333 6.687 1.00 0.00 H new ATOM 0 HE ARG A 42 1.012 -2.297 8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.807 1.125 8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.197 1.643 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.204 -1.601 10.806 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.291 0.103 11.266 1.00 0.00 H new ATOM 678 N ALA A 43 -1.029 -2.876 5.384 1.00 0.00 N ATOM 679 CA ALA A 43 -2.217 -2.589 6.163 1.00 0.00 C ATOM 680 C ALA A 43 -2.083 -3.204 7.553 1.00 0.00 C ATOM 681 O ALA A 43 -1.982 -2.514 8.559 1.00 0.00 O ATOM 682 CB ALA A 43 -3.442 -3.148 5.447 1.00 0.00 C ATOM 0 H ALA A 43 -0.876 -3.856 5.145 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.333 -1.511 6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.336 -2.932 6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.532 -2.685 4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.335 -4.227 5.332 1.00 0.00 H new ATOM 770 N TYR A 50 -3.486 1.944 7.751 1.00 0.00 N ATOM 771 CA TYR A 50 -2.778 1.404 6.600 1.00 0.00 C ATOM 772 C TYR A 50 -2.063 2.553 5.891 1.00 0.00 C ATOM 773 O TYR A 50 -2.440 3.712 6.015 1.00 0.00 O ATOM 774 CB TYR A 50 -3.769 0.719 5.652 1.00 0.00 C ATOM 775 CG TYR A 50 -4.644 -0.283 6.363 1.00 0.00 C ATOM 776 CD1 TYR A 50 -4.262 -0.825 7.618 1.00 0.00 C ATOM 777 CD2 TYR A 50 -5.868 -0.695 5.780 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.091 -1.762 8.275 1.00 0.00 C ATOM 779 CE2 TYR A 50 -6.696 -1.632 6.438 1.00 0.00 C ATOM 780 CZ TYR A 50 -6.307 -2.164 7.685 1.00 0.00 C ATOM 781 OH TYR A 50 -7.114 -3.081 8.327 1.00 0.00 O ATOM 0 HA TYR A 50 -2.048 0.661 6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.396 1.474 5.179 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.219 0.217 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.332 -0.519 8.074 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.170 -0.290 4.826 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.793 -2.170 9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.627 -1.941 5.986 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.914 -3.248 7.786 1.00 0.00 H new ATOM 791 N ALA A 51 -1.009 2.168 5.145 1.00 0.00 N ATOM 792 CA ALA A 51 -0.272 3.204 4.441 1.00 0.00 C ATOM 793 C ALA A 51 0.407 2.640 3.191 1.00 0.00 C ATOM 794 O ALA A 51 1.192 1.701 3.239 1.00 0.00 O ATOM 795 CB ALA A 51 0.763 3.820 5.380 1.00 0.00 C ATOM 0 H ALA A 51 -0.675 1.212 5.025 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.971 3.976 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.316 4.597 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.258 4.256 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.454 3.047 5.716 1.00 0.00 H new ATOM 801 N LEU A 52 0.045 3.304 2.076 1.00 0.00 N ATOM 802 CA LEU A 52 0.614 2.920 0.789 1.00 0.00 C ATOM 803 C LEU A 52 2.031 3.484 0.682 1.00 0.00 C ATOM 804 O LEU A 52 2.279 4.646 0.953 1.00 0.00 O ATOM 805 CB LEU A 52 -0.268 3.487 -0.325 1.00 0.00 C ATOM 806 CG LEU A 52 0.538 3.872 -1.568 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.290 2.655 -2.111 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.399 4.431 -2.637 1.00 0.00 C ATOM 0 H LEU A 52 -0.616 4.081 2.047 1.00 0.00 H new ATOM 0 HA LEU A 52 0.657 1.835 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.022 2.749 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.799 4.363 0.046 1.00 0.00 H new ATOM 0 HG LEU A 52 1.266 4.636 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.859 2.943 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.971 2.278 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.576 1.875 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.178 4.704 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.137 3.675 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.908 5.313 -2.249 1.00 0.00 H new ATOM 820 N CYS A 53 2.940 2.592 0.251 1.00 0.00 N ATOM 821 CA CYS A 53 4.320 3.031 0.144 1.00 0.00 C ATOM 822 C CYS A 53 4.918 2.627 -1.201 1.00 0.00 C ATOM 823 O CYS A 53 4.933 1.465 -1.580 1.00 0.00 O ATOM 824 CB CYS A 53 5.125 2.412 1.284 1.00 0.00 C ATOM 825 SG CYS A 53 4.315 2.592 2.892 1.00 0.00 S ATOM 0 H CYS A 53 2.752 1.624 -0.012 1.00 0.00 H new ATOM 0 HA CYS A 53 4.355 4.118 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.283 1.353 1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.109 2.879 1.324 1.00 0.00 H new ATOM 0 HG CYS A 53 5.084 3.269 3.692 1.00 0.00 H new ATOM 831 N LEU A 54 5.414 3.673 -1.887 1.00 0.00 N ATOM 832 CA LEU A 54 6.050 3.425 -3.180 1.00 0.00 C ATOM 833 C LEU A 54 7.341 4.238 -3.246 1.00 0.00 C ATOM 834 O LEU A 54 7.651 5.004 -2.347 1.00 0.00 O ATOM 835 CB LEU A 54 5.108 3.766 -4.344 1.00 0.00 C ATOM 836 CG LEU A 54 4.497 5.169 -4.258 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.246 5.159 -3.381 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.516 6.184 -3.738 1.00 0.00 C ATOM 0 H LEU A 54 5.388 4.646 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 54 6.283 2.364 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.657 3.676 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.303 3.031 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 54 4.208 5.472 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.827 6.164 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.508 4.479 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.508 4.827 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.054 7.170 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.849 5.888 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.372 6.218 -4.412 1.00 0.00 H new ATOM 850 N LEU A 55 8.084 4.028 -4.349 1.00 0.00 N ATOM 851 CA LEU A 55 9.325 4.774 -4.457 1.00 0.00 C ATOM 852 C LEU A 55 9.346 5.583 -5.748 1.00 0.00 C ATOM 853 O LEU A 55 8.922 5.133 -6.806 1.00 0.00 O ATOM 854 CB LEU A 55 10.496 3.808 -4.409 1.00 0.00 C ATOM 855 CG LEU A 55 11.838 4.543 -4.375 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.436 4.551 -2.974 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.818 3.887 -5.334 1.00 0.00 C ATOM 0 H LEU A 55 7.861 3.396 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 55 9.404 5.471 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.407 3.173 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.462 3.153 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 55 11.656 5.574 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.388 5.081 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.752 5.052 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.597 3.526 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.769 4.418 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.972 2.848 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.416 3.924 -6.347 1.00 0.00 H new ATOM 869 N HIS A 56 9.872 6.809 -5.579 1.00 0.00 N ATOM 870 CA HIS A 56 9.965 7.688 -6.729 1.00 0.00 C ATOM 871 C HIS A 56 11.177 7.285 -7.583 1.00 0.00 C ATOM 872 O HIS A 56 11.103 6.406 -8.432 1.00 0.00 O ATOM 873 CB HIS A 56 10.092 9.133 -6.246 1.00 0.00 C ATOM 874 CG HIS A 56 10.172 10.059 -7.435 1.00 0.00 C ATOM 875 ND1 HIS A 56 9.372 9.967 -8.519 1.00 0.00 N ATOM 876 CD2 HIS A 56 11.049 11.143 -7.629 1.00 0.00 C ATOM 877 CE1 HIS A 56 9.741 10.958 -9.349 1.00 0.00 C ATOM 878 NE2 HIS A 56 10.751 11.682 -8.834 1.00 0.00 N ATOM 0 H HIS A 56 10.220 7.189 -4.699 1.00 0.00 H new ATOM 0 HA HIS A 56 9.068 7.603 -7.343 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.236 9.396 -5.625 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.982 9.243 -5.626 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.814 11.480 -6.946 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.284 11.149 -10.309 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.206 12.485 -9.269 1.00 0.00 H new ATOM 886 N GLU A 57 12.293 7.984 -7.300 1.00 0.00 N ATOM 887 CA GLU A 57 13.516 7.697 -8.050 1.00 0.00 C ATOM 888 C GLU A 57 14.667 7.289 -7.112 1.00 0.00 C ATOM 889 O GLU A 57 15.817 7.178 -7.517 1.00 0.00 O ATOM 890 CB GLU A 57 13.906 8.950 -8.810 1.00 0.00 C ATOM 891 CG GLU A 57 12.762 9.455 -9.687 1.00 0.00 C ATOM 892 CD GLU A 57 13.021 9.080 -11.148 1.00 0.00 C ATOM 893 OE1 GLU A 57 12.886 7.904 -11.484 1.00 0.00 O ATOM 894 OE2 GLU A 57 13.353 9.967 -11.932 1.00 0.00 O ATOM 0 H GLU A 57 12.369 8.715 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 57 13.331 6.866 -8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.195 9.729 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.777 8.743 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.818 9.023 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.669 10.537 -9.591 1.00 0.00 H new ATOM 901 N GLY A 58 14.276 7.082 -5.848 1.00 0.00 N ATOM 902 CA GLY A 58 15.262 6.706 -4.847 1.00 0.00 C ATOM 903 C GLY A 58 14.953 7.349 -3.484 1.00 0.00 C ATOM 904 O GLY A 58 15.829 7.576 -2.658 1.00 0.00 O ATOM 0 H GLY A 58 13.318 7.166 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.281 5.621 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.254 7.012 -5.179 1.00 0.00 H new ATOM 908 N LYS A 59 13.646 7.618 -3.324 1.00 0.00 N ATOM 909 CA LYS A 59 13.165 8.205 -2.107 1.00 0.00 C ATOM 910 C LYS A 59 11.811 7.569 -1.861 1.00 0.00 C ATOM 911 O LYS A 59 10.805 7.912 -2.473 1.00 0.00 O ATOM 912 CB LYS A 59 13.035 9.717 -2.247 1.00 0.00 C ATOM 913 CG LYS A 59 14.363 10.369 -2.633 1.00 0.00 C ATOM 914 CD LYS A 59 14.242 11.163 -3.933 1.00 0.00 C ATOM 915 CE LYS A 59 13.499 12.481 -3.717 1.00 0.00 C ATOM 916 NZ LYS A 59 14.226 13.388 -2.837 1.00 0.00 N ATOM 0 H LYS A 59 12.928 7.433 -4.025 1.00 0.00 H new ATOM 0 HA LYS A 59 13.850 8.031 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.284 9.949 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.683 10.140 -1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.691 11.030 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.128 9.600 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.236 11.366 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.716 10.566 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.336 12.965 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.516 12.276 -3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.883 14.359 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.072 13.109 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.242 13.343 -3.055 1.00 0.00 H new ATOM 930 N VAL A 60 11.866 6.613 -0.942 1.00 0.00 N ATOM 931 CA VAL A 60 10.655 5.887 -0.638 1.00 0.00 C ATOM 932 C VAL A 60 9.653 6.826 0.008 1.00 0.00 C ATOM 933 O VAL A 60 9.987 7.703 0.796 1.00 0.00 O ATOM 934 CB VAL A 60 10.960 4.735 0.310 1.00 0.00 C ATOM 935 CG1 VAL A 60 10.984 5.236 1.747 1.00 0.00 C ATOM 936 CG2 VAL A 60 9.906 3.639 0.172 1.00 0.00 C ATOM 0 H VAL A 60 12.697 6.336 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 60 10.238 5.485 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 60 11.936 4.325 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.203 4.406 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.754 6.001 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.013 5.661 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.138 2.823 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.924 4.046 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.902 3.265 -0.852 1.00 0.00 H new ATOM 946 N LEU A 61 8.408 6.552 -0.372 1.00 0.00 N ATOM 947 CA LEU A 61 7.328 7.354 0.147 1.00 0.00 C ATOM 948 C LEU A 61 6.311 6.484 0.830 1.00 0.00 C ATOM 949 O LEU A 61 6.237 5.273 0.655 1.00 0.00 O ATOM 950 CB LEU A 61 6.662 8.142 -0.973 1.00 0.00 C ATOM 951 CG LEU A 61 7.717 8.814 -1.825 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.085 9.696 -2.904 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.608 9.626 -0.903 1.00 0.00 C ATOM 0 H LEU A 61 8.137 5.807 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 61 7.742 8.054 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.055 7.477 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.989 8.890 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 61 8.306 8.062 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.870 10.164 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.456 9.085 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.478 10.469 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.381 10.124 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.009 10.374 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.076 8.965 -0.174 1.00 0.00 H new ATOM 965 N HIS A 62 5.531 7.214 1.613 1.00 0.00 N ATOM 966 CA HIS A 62 4.481 6.559 2.358 1.00 0.00 C ATOM 967 C HIS A 62 3.262 7.475 2.390 1.00 0.00 C ATOM 968 O HIS A 62 3.364 8.682 2.559 1.00 0.00 O ATOM 969 CB HIS A 62 4.957 6.261 3.785 1.00 0.00 C ATOM 970 CG HIS A 62 6.231 5.444 3.755 1.00 0.00 C ATOM 971 ND1 HIS A 62 6.296 4.136 4.084 1.00 0.00 N ATOM 972 CD2 HIS A 62 7.528 5.875 3.416 1.00 0.00 C ATOM 973 CE1 HIS A 62 7.584 3.774 3.953 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.347 4.807 3.551 1.00 0.00 N ATOM 0 H HIS A 62 5.603 8.223 1.743 1.00 0.00 H new ATOM 0 HA HIS A 62 4.220 5.615 1.880 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.128 7.195 4.321 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.183 5.719 4.328 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.814 6.869 3.107 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.959 2.780 4.146 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.352 4.788 3.380 1.00 0.00 H new ATOM 982 N TYR A 63 2.111 6.820 2.206 1.00 0.00 N ATOM 983 CA TYR A 63 0.876 7.556 2.219 1.00 0.00 C ATOM 984 C TYR A 63 -0.059 6.891 3.209 1.00 0.00 C ATOM 985 O TYR A 63 -0.348 5.709 3.110 1.00 0.00 O ATOM 986 CB TYR A 63 0.255 7.514 0.831 1.00 0.00 C ATOM 987 CG TYR A 63 1.025 8.343 -0.148 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.075 9.753 -0.026 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.717 7.719 -1.212 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.808 10.513 -0.952 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.450 8.486 -2.137 1.00 0.00 C ATOM 992 CZ TYR A 63 2.496 9.885 -2.009 1.00 0.00 C ATOM 993 OH TYR A 63 3.211 10.640 -2.916 1.00 0.00 O ATOM 0 H TYR A 63 2.024 5.815 2.052 1.00 0.00 H new ATOM 0 HA TYR A 63 1.052 8.593 2.503 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.216 6.482 0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.773 7.873 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.549 10.244 0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.683 6.645 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.845 11.588 -0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.977 8.000 -2.945 1.00 0.00 H new ATOM 0 HH TYR A 63 3.967 10.116 -3.254 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.503 7.704 4.172 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.411 7.138 5.141 1.00 0.00 C ATOM 1005 C ARG A 64 -2.689 6.739 4.418 1.00 0.00 C ATOM 1006 O ARG A 64 -2.944 7.123 3.283 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.712 8.144 6.243 1.00 0.00 C ATOM 1008 CG ARG A 64 -2.816 7.652 7.180 1.00 0.00 C ATOM 1009 CD ARG A 64 -2.860 8.474 8.469 1.00 0.00 C ATOM 1010 NE ARG A 64 -3.076 9.877 8.161 1.00 0.00 N ATOM 1011 CZ ARG A 64 -2.661 10.808 9.042 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -2.068 10.442 10.176 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -2.845 12.099 8.778 1.00 0.00 N ATOM 0 H ARG A 64 -0.263 8.688 4.291 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.959 6.263 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.806 8.334 6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.011 9.092 5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.779 7.714 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.650 6.602 7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.658 8.109 9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.926 8.354 9.018 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.534 10.153 7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.926 9.453 10.381 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.756 11.151 10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.300 12.382 7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.532 12.805 9.444 1.00 0.00 H new ATOM 1027 N ILE A 65 -3.462 5.945 5.155 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.720 5.486 4.595 1.00 0.00 C ATOM 1029 C ILE A 65 -5.724 5.261 5.723 1.00 0.00 C ATOM 1030 O ILE A 65 -5.412 4.708 6.771 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.493 4.201 3.794 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -4.167 4.538 2.345 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.728 3.299 3.855 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.778 4.047 1.969 1.00 0.00 C ATOM 0 H ILE A 65 -3.250 5.620 6.098 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.122 6.240 3.918 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.652 3.666 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.908 4.083 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.228 5.616 2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.545 2.392 3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.935 3.035 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.585 3.827 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.571 4.301 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.038 4.522 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.728 2.965 2.095 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.947 5.734 5.430 1.00 0.00 N ATOM 1047 CA ASP A 66 -8.002 5.587 6.411 1.00 0.00 C ATOM 1048 C ASP A 66 -9.230 4.980 5.748 1.00 0.00 C ATOM 1049 O ASP A 66 -9.115 4.120 4.893 1.00 0.00 O ATOM 1050 CB ASP A 66 -8.310 6.950 7.033 1.00 0.00 C ATOM 1051 CG ASP A 66 -9.069 6.763 8.348 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.847 5.753 9.015 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -9.874 7.627 8.689 1.00 0.00 O ATOM 0 H ASP A 66 -7.210 6.198 4.561 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.686 4.916 7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.383 7.495 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.904 7.549 6.342 1.00 0.00 H new ATOM 1058 N LYS A 67 -10.390 5.433 6.275 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.658 4.997 5.757 1.00 0.00 C ATOM 1060 C LYS A 67 -12.694 6.101 5.988 1.00 0.00 C ATOM 1061 O LYS A 67 -12.393 7.286 5.912 1.00 0.00 O ATOM 1062 CB LYS A 67 -12.028 3.712 6.483 1.00 0.00 C ATOM 1063 CG LYS A 67 -12.356 3.972 7.948 1.00 0.00 C ATOM 1064 CD LYS A 67 -12.025 2.755 8.815 1.00 0.00 C ATOM 1065 CE LYS A 67 -13.289 2.041 9.296 1.00 0.00 C ATOM 1066 NZ LYS A 67 -13.890 2.697 10.450 1.00 0.00 N ATOM 0 H LYS A 67 -10.450 6.093 7.050 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.617 4.802 4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.886 3.251 5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.202 3.004 6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.794 4.837 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.413 4.216 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.409 2.059 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.436 3.071 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.014 2.004 8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.046 1.010 9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.865 2.357 10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.336 2.477 11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.899 3.726 10.299 1.00 0.00 H new ATOM 1080 N ASP A 68 -13.925 5.644 6.274 1.00 0.00 N ATOM 1081 CA ASP A 68 -14.983 6.623 6.496 1.00 0.00 C ATOM 1082 C ASP A 68 -16.035 6.064 7.455 1.00 0.00 C ATOM 1083 O ASP A 68 -17.231 6.273 7.292 1.00 0.00 O ATOM 1084 CB ASP A 68 -15.624 6.971 5.157 1.00 0.00 C ATOM 1085 CG ASP A 68 -16.135 8.413 5.182 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -16.315 8.953 6.272 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -16.346 8.979 4.111 1.00 0.00 O ATOM 0 H ASP A 68 -14.195 4.664 6.352 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.558 7.521 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.898 6.847 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.448 6.288 4.950 1.00 0.00 H new ATOM 1092 N LYS A 69 -15.507 5.342 8.460 1.00 0.00 N ATOM 1093 CA LYS A 69 -16.401 4.733 9.444 1.00 0.00 C ATOM 1094 C LYS A 69 -17.585 4.033 8.761 1.00 0.00 C ATOM 1095 O LYS A 69 -18.639 3.817 9.347 1.00 0.00 O ATOM 1096 CB LYS A 69 -16.895 5.799 10.421 1.00 0.00 C ATOM 1097 CG LYS A 69 -15.796 6.802 10.782 1.00 0.00 C ATOM 1098 CD LYS A 69 -15.664 7.900 9.724 1.00 0.00 C ATOM 1099 CE LYS A 69 -15.180 9.217 10.332 1.00 0.00 C ATOM 1100 NZ LYS A 69 -15.127 10.294 9.350 1.00 0.00 N ATOM 0 H LYS A 69 -14.511 5.174 8.605 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.845 3.975 9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -17.740 6.330 9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -17.259 5.318 11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.018 7.253 11.749 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.845 6.279 10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.966 7.578 8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.628 8.056 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.844 9.504 11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.190 9.073 10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.794 11.166 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.473 10.034 8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.076 10.451 8.956 1.00 0.00 H new ATOM 1114 N THR A 70 -17.327 3.705 7.491 1.00 0.00 N ATOM 1115 CA THR A 70 -18.310 3.016 6.702 1.00 0.00 C ATOM 1116 C THR A 70 -17.766 1.630 6.346 1.00 0.00 C ATOM 1117 O THR A 70 -18.502 0.673 6.135 1.00 0.00 O ATOM 1118 CB THR A 70 -18.515 3.828 5.436 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.577 4.732 5.617 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.782 2.940 4.231 1.00 0.00 C ATOM 0 H THR A 70 -16.453 3.909 7.007 1.00 0.00 H new ATOM 0 HA THR A 70 -19.251 2.902 7.240 1.00 0.00 H new ATOM 0 HB THR A 70 -17.595 4.379 5.239 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.705 5.255 4.798 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.923 3.560 3.346 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.934 2.273 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.681 2.349 4.407 1.00 0.00 H new ATOM 1128 N GLY A 71 -16.419 1.608 6.296 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.751 0.382 5.944 1.00 0.00 C ATOM 1130 C GLY A 71 -14.784 0.574 4.765 1.00 0.00 C ATOM 1131 O GLY A 71 -13.857 -0.199 4.558 1.00 0.00 O ATOM 0 H GLY A 71 -15.809 2.402 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.201 0.008 6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.492 -0.374 5.686 1.00 0.00 H new ATOM 1135 N LYS A 72 -15.068 1.654 4.015 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.231 1.950 2.866 1.00 0.00 C ATOM 1137 C LYS A 72 -13.078 2.837 3.318 1.00 0.00 C ATOM 1138 O LYS A 72 -13.262 3.786 4.063 1.00 0.00 O ATOM 1139 CB LYS A 72 -15.063 2.648 1.793 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.306 1.835 1.432 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.059 2.454 0.254 1.00 0.00 C ATOM 1142 CE LYS A 72 -17.655 3.813 0.621 1.00 0.00 C ATOM 1143 NZ LYS A 72 -18.313 4.454 -0.511 1.00 0.00 N ATOM 0 H LYS A 72 -15.837 2.303 4.182 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.830 1.030 2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.362 3.634 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.455 2.801 0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.015 0.815 1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.967 1.776 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.381 2.569 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.855 1.781 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.373 3.685 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.865 4.464 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.701 5.372 -0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.623 4.601 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.085 3.847 -0.853 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.891 2.501 2.777 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.721 3.260 3.169 1.00 0.00 C ATOM 1159 C LEU A 73 -10.742 4.608 2.449 1.00 0.00 C ATOM 1160 O LEU A 73 -11.471 4.802 1.485 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.467 2.480 2.785 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.432 1.089 3.417 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.285 0.268 2.825 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.277 1.196 4.936 1.00 0.00 C ATOM 0 H LEU A 73 -11.734 1.750 2.105 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.721 3.426 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.419 2.385 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.585 3.040 3.095 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.373 0.585 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.271 -0.721 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.427 0.167 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.338 0.772 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.254 0.197 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.348 1.716 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.119 1.752 5.349 1.00 0.00 H new ATOM 1176 N SER A 74 -9.901 5.531 2.970 1.00 0.00 N ATOM 1177 CA SER A 74 -9.880 6.839 2.338 1.00 0.00 C ATOM 1178 C SER A 74 -8.573 7.566 2.637 1.00 0.00 C ATOM 1179 O SER A 74 -7.951 7.395 3.677 1.00 0.00 O ATOM 1180 CB SER A 74 -11.069 7.656 2.836 1.00 0.00 C ATOM 1181 OG SER A 74 -11.078 8.931 2.246 1.00 0.00 O ATOM 0 H SER A 74 -9.277 5.399 3.766 1.00 0.00 H new ATOM 0 HA SER A 74 -9.952 6.713 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.998 7.135 2.602 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.022 7.752 3.921 1.00 0.00 H new ATOM 0 HG SER A 74 -10.703 8.876 1.342 1.00 0.00 H new ATOM 1187 N ILE A 75 -8.216 8.398 1.644 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.995 9.172 1.771 1.00 0.00 C ATOM 1189 C ILE A 75 -7.338 10.657 1.646 1.00 0.00 C ATOM 1190 O ILE A 75 -8.184 11.056 0.855 1.00 0.00 O ATOM 1191 CB ILE A 75 -6.034 8.773 0.655 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.691 7.291 0.735 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.750 9.606 0.710 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.514 6.951 -0.185 1.00 0.00 C ATOM 0 H ILE A 75 -8.740 8.541 0.781 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.527 8.983 2.737 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.536 8.967 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.443 7.026 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.561 6.697 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.083 9.301 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.996 10.662 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.255 9.449 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.289 5.887 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.775 7.195 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.640 7.529 0.114 1.00 0.00 H new ATOM 1206 N PRO A 76 -6.632 11.461 2.472 1.00 0.00 N ATOM 1207 CA PRO A 76 -6.805 12.900 2.476 1.00 0.00 C ATOM 1208 C PRO A 76 -6.619 13.483 1.076 1.00 0.00 C ATOM 1209 O PRO A 76 -7.542 13.999 0.457 1.00 0.00 O ATOM 1210 CB PRO A 76 -5.732 13.441 3.426 1.00 0.00 C ATOM 1211 CG PRO A 76 -5.018 12.225 4.042 1.00 0.00 C ATOM 1212 CD PRO A 76 -5.642 10.975 3.415 1.00 0.00 C ATOM 0 HA PRO A 76 -7.810 13.176 2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.024 14.072 2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.182 14.058 4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.947 12.264 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.139 12.215 5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.887 10.370 2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.102 10.344 4.175 1.00 0.00 H new ATOM 1220 N GLU A 77 -5.361 13.359 0.631 1.00 0.00 N ATOM 1221 CA GLU A 77 -5.032 13.857 -0.696 1.00 0.00 C ATOM 1222 C GLU A 77 -5.403 12.816 -1.764 1.00 0.00 C ATOM 1223 O GLU A 77 -5.779 13.150 -2.880 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.541 14.172 -0.755 1.00 0.00 C ATOM 1225 CG GLU A 77 -3.090 14.971 0.467 1.00 0.00 C ATOM 1226 CD GLU A 77 -3.782 16.335 0.479 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -3.322 17.233 -0.225 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -4.773 16.485 1.193 1.00 0.00 O ATOM 0 H GLU A 77 -4.590 12.937 1.149 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.602 14.765 -0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.974 13.243 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.323 14.737 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.329 14.424 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.008 15.102 0.448 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.264 11.539 -1.344 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.578 10.457 -2.263 1.00 0.00 C ATOM 1237 C GLY A 78 -7.011 10.590 -2.799 1.00 0.00 C ATOM 1238 O GLY A 78 -7.387 11.589 -3.399 1.00 0.00 O ATOM 0 H GLY A 78 -4.950 11.254 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.873 10.464 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.463 9.499 -1.756 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.778 9.510 -2.540 1.00 0.00 N ATOM 1243 CA LYS A 79 -9.153 9.509 -2.989 1.00 0.00 C ATOM 1244 C LYS A 79 -10.029 8.750 -1.985 1.00 0.00 C ATOM 1245 O LYS A 79 -9.843 8.806 -0.775 1.00 0.00 O ATOM 1246 CB LYS A 79 -9.195 8.836 -4.355 1.00 0.00 C ATOM 1247 CG LYS A 79 -10.210 9.480 -5.290 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.590 9.728 -6.663 1.00 0.00 C ATOM 1249 CE LYS A 79 -10.641 10.142 -7.692 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.347 11.358 -7.307 1.00 0.00 N ATOM 0 H LYS A 79 -7.472 8.672 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.536 10.527 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.206 8.882 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.439 7.781 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.082 8.834 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.558 10.422 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.831 10.507 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.085 8.824 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.159 10.295 -8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.360 9.333 -7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.950 11.673 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.938 11.167 -6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.657 12.103 -7.080 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.989 8.044 -2.595 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.916 7.242 -1.807 1.00 0.00 C ATOM 1266 C LYS A 80 -11.982 5.850 -2.436 1.00 0.00 C ATOM 1267 O LYS A 80 -12.326 5.690 -3.600 1.00 0.00 O ATOM 1268 CB LYS A 80 -13.291 7.906 -1.794 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.190 9.392 -1.446 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.561 9.998 -1.150 1.00 0.00 C ATOM 1271 CE LYS A 80 -15.259 9.268 -0.002 1.00 0.00 C ATOM 1272 NZ LYS A 80 -16.342 10.053 0.580 1.00 0.00 N ATOM 0 H LYS A 80 -11.138 8.014 -3.604 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.579 7.160 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.762 7.791 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.932 7.404 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.541 9.519 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.726 9.929 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.447 11.052 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.182 9.950 -2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.656 8.320 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.529 9.032 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.783 9.516 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.962 10.947 0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.054 10.257 -0.150 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.631 4.856 -1.597 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.605 3.506 -2.117 1.00 0.00 C ATOM 1288 C PHE A 81 -12.372 2.555 -1.203 1.00 0.00 C ATOM 1289 O PHE A 81 -12.528 2.779 -0.008 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.151 3.049 -2.229 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.240 4.153 -2.695 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -9.112 4.457 -4.071 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.530 4.923 -1.744 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -8.281 5.522 -4.490 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -7.702 5.987 -2.161 1.00 0.00 C ATOM 1296 CZ PHE A 81 -7.577 6.286 -3.532 1.00 0.00 C ATOM 0 H PHE A 81 -11.378 4.965 -0.615 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.082 3.494 -3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.811 2.685 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.088 2.211 -2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -9.650 3.874 -4.804 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.622 4.695 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.185 5.751 -5.541 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.164 6.572 -1.429 1.00 0.00 H new ATOM 0 HZ PHE A 81 -6.943 7.100 -3.851 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.811 1.463 -1.858 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.555 0.453 -1.124 1.00 0.00 C ATOM 1308 C ASP A 82 -12.616 -0.253 -0.147 1.00 0.00 C ATOM 1309 O ASP A 82 -12.729 -0.123 1.065 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.157 -0.548 -2.107 1.00 0.00 C ATOM 1311 CG ASP A 82 -14.909 -1.639 -1.342 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.020 -1.530 -0.122 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.374 -2.586 -1.974 1.00 0.00 O ATOM 0 H ASP A 82 -12.667 1.272 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.363 0.920 -0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.835 -0.037 -2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.369 -0.994 -2.714 1.00 0.00 H new ATOM 1318 N THR A 83 -11.683 -1.008 -0.755 1.00 0.00 N ATOM 1319 CA THR A 83 -10.730 -1.716 0.065 1.00 0.00 C ATOM 1320 C THR A 83 -9.348 -1.492 -0.526 1.00 0.00 C ATOM 1321 O THR A 83 -9.186 -0.875 -1.571 1.00 0.00 O ATOM 1322 CB THR A 83 -11.073 -3.204 0.097 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.202 -3.681 -1.220 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.365 -3.472 0.868 1.00 0.00 C ATOM 0 H THR A 83 -11.583 -1.131 -1.763 1.00 0.00 H new ATOM 0 HA THR A 83 -10.757 -1.348 1.091 1.00 0.00 H new ATOM 0 HB THR A 83 -10.265 -3.725 0.610 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.420 -4.636 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.574 -4.542 0.867 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.255 -3.124 1.895 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.190 -2.941 0.392 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.368 -2.031 0.205 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.016 -1.891 -0.243 1.00 0.00 C ATOM 1334 C LEU A 84 -6.794 -2.562 -1.594 1.00 0.00 C ATOM 1335 O LEU A 84 -5.743 -2.446 -2.208 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.137 -2.522 0.816 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.010 -1.595 1.205 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.295 -1.145 -0.052 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -5.547 -0.394 1.983 1.00 0.00 C ATOM 0 H LEU A 84 -8.495 -2.547 1.076 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.775 -0.837 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.735 -2.762 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.728 -3.461 0.443 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.309 -2.121 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.478 -0.474 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.895 -2.014 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.996 -0.622 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.720 0.263 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.257 0.154 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.047 -0.740 2.887 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.849 -3.256 -2.006 1.00 0.00 N ATOM 1352 CA TRP A 85 -7.786 -3.935 -3.284 1.00 0.00 C ATOM 1353 C TRP A 85 -8.182 -2.975 -4.381 1.00 0.00 C ATOM 1354 O TRP A 85 -7.743 -3.067 -5.521 1.00 0.00 O ATOM 1355 CB TRP A 85 -8.763 -5.098 -3.264 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.020 -6.390 -3.482 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.159 -6.652 -4.544 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.059 -7.558 -2.663 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -6.665 -7.920 -4.423 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.195 -8.519 -3.273 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -8.739 -7.865 -1.492 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -7.023 -9.774 -2.701 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -8.570 -9.141 -0.899 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -7.712 -10.097 -1.505 1.00 0.00 C ATOM 0 H TRP A 85 -8.725 -3.359 -1.493 1.00 0.00 H new ATOM 0 HA TRP A 85 -6.774 -4.296 -3.465 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.289 -5.127 -2.310 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.517 -4.966 -4.040 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -6.919 -5.961 -5.339 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.012 -8.362 -5.070 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.393 -7.136 -1.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.369 -10.498 -3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.093 -9.386 0.013 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -7.584 -11.070 -1.054 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.038 -2.049 -3.952 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.507 -1.079 -4.906 1.00 0.00 C ATOM 1377 C GLN A 86 -8.566 0.100 -4.930 1.00 0.00 C ATOM 1378 O GLN A 86 -8.225 0.621 -5.970 1.00 0.00 O ATOM 1379 CB GLN A 86 -10.929 -0.644 -4.563 1.00 0.00 C ATOM 1380 CG GLN A 86 -11.928 -1.782 -4.768 1.00 0.00 C ATOM 1381 CD GLN A 86 -11.797 -2.335 -6.188 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -12.341 -1.797 -7.145 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -11.038 -3.443 -6.253 1.00 0.00 N ATOM 0 H GLN A 86 -9.398 -1.959 -3.002 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.527 -1.526 -5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.968 -0.307 -3.527 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.211 0.205 -5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.746 -2.574 -4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.943 -1.422 -4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.621 -3.826 -5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.879 -3.900 -7.151 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.152 0.482 -3.731 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.241 1.598 -3.688 1.00 0.00 C ATOM 1394 C LEU A 87 -5.943 1.234 -4.397 1.00 0.00 C ATOM 1395 O LEU A 87 -5.295 2.071 -5.002 1.00 0.00 O ATOM 1396 CB LEU A 87 -6.986 1.988 -2.234 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.038 3.179 -2.122 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.058 3.743 -0.701 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.618 2.765 -2.509 1.00 0.00 C ATOM 0 H LEU A 87 -8.413 0.066 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.678 2.453 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.933 2.231 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.565 1.137 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.374 3.956 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.377 4.592 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.068 4.069 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.743 2.971 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.953 3.624 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.275 1.974 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.612 2.401 -3.537 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.620 -0.065 -4.314 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.414 -0.500 -4.937 1.00 0.00 C ATOM 1413 C VAL A 88 -4.620 -0.634 -6.428 1.00 0.00 C ATOM 1414 O VAL A 88 -3.867 -0.104 -7.221 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.015 -1.846 -4.375 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.206 -2.594 -5.419 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.218 -1.679 -3.085 1.00 0.00 C ATOM 0 H VAL A 88 -6.164 -0.785 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.631 0.234 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.910 -2.419 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.913 -3.567 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.810 -2.734 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.314 -2.020 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.942 -2.660 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.316 -1.101 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.826 -1.156 -2.347 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.667 -1.406 -6.757 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.898 -1.636 -8.168 1.00 0.00 C ATOM 1429 C GLU A 89 -6.143 -0.328 -8.884 1.00 0.00 C ATOM 1430 O GLU A 89 -5.637 -0.077 -9.971 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.067 -2.565 -8.351 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.364 -1.970 -7.845 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.214 -1.484 -9.021 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -9.729 -2.323 -9.759 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.353 -0.273 -9.184 1.00 0.00 O ATOM 0 H GLU A 89 -6.319 -1.849 -6.109 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.011 -2.099 -8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.171 -2.809 -9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.870 -3.500 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.915 -2.715 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.154 -1.140 -7.171 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.950 0.485 -8.206 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.261 1.763 -8.816 1.00 0.00 C ATOM 1444 C HIS A 90 -5.979 2.477 -9.132 1.00 0.00 C ATOM 1445 O HIS A 90 -5.688 2.843 -10.257 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.097 2.617 -7.877 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.880 3.628 -8.680 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.513 3.344 -9.839 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -9.090 4.988 -8.388 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -10.091 4.486 -10.246 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -9.851 5.493 -9.387 1.00 0.00 N ATOM 0 H HIS A 90 -7.373 0.297 -7.297 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.832 1.591 -9.728 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.777 1.987 -7.303 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.453 3.126 -7.160 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -9.546 2.441 -10.312 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.715 5.527 -7.530 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.675 4.584 -11.149 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.253 2.653 -8.046 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.982 3.326 -8.166 1.00 0.00 C ATOM 1461 C TYR A 91 -3.060 2.554 -9.105 1.00 0.00 C ATOM 1462 O TYR A 91 -2.132 3.108 -9.681 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.368 3.499 -6.793 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.850 4.783 -6.171 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.158 5.262 -6.449 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -3.011 5.535 -5.314 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.616 6.468 -5.880 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.475 6.746 -4.746 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.773 7.209 -5.028 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.220 8.390 -4.473 1.00 0.00 O ATOM 0 H TYR A 91 -5.510 2.352 -7.106 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.131 4.316 -8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.635 2.655 -6.157 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.281 3.509 -6.870 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.807 4.698 -7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.014 5.184 -5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.612 6.824 -6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.830 7.316 -4.094 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.131 8.574 -4.785 1.00 0.00 H new ATOM 1480 N SER A 92 -3.362 1.244 -9.236 1.00 0.00 N ATOM 1481 CA SER A 92 -2.561 0.464 -10.164 1.00 0.00 C ATOM 1482 C SER A 92 -2.720 1.047 -11.574 1.00 0.00 C ATOM 1483 O SER A 92 -1.989 0.728 -12.503 1.00 0.00 O ATOM 1484 CB SER A 92 -3.067 -0.954 -10.137 1.00 0.00 C ATOM 1485 OG SER A 92 -2.004 -1.873 -10.120 1.00 0.00 O ATOM 0 H SER A 92 -4.103 0.745 -8.744 1.00 0.00 H new ATOM 0 HA SER A 92 -1.508 0.490 -9.885 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.694 -1.103 -9.258 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.694 -1.136 -11.010 1.00 0.00 H new ATOM 0 HG SER A 92 -2.361 -2.786 -10.101 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.736 1.923 -11.641 1.00 0.00 N ATOM 1492 CA TYR A 93 -4.054 2.570 -12.889 1.00 0.00 C ATOM 1493 C TYR A 93 -3.268 3.857 -12.982 1.00 0.00 C ATOM 1494 O TYR A 93 -2.497 4.092 -13.899 1.00 0.00 O ATOM 1495 CB TYR A 93 -5.541 2.904 -12.907 1.00 0.00 C ATOM 1496 CG TYR A 93 -6.405 1.701 -12.641 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.887 0.388 -12.788 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.750 1.871 -12.238 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.706 -0.736 -12.538 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -8.570 0.746 -11.987 1.00 0.00 C ATOM 1501 CZ TYR A 93 -8.047 -0.557 -12.137 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.847 -1.654 -11.894 1.00 0.00 O ATOM 0 H TYR A 93 -4.330 2.184 -10.854 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.807 1.915 -13.724 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.747 3.668 -12.158 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.803 3.328 -13.876 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.861 0.247 -13.093 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.154 2.866 -12.121 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.306 -1.732 -12.654 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.596 0.884 -11.681 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.582 -1.397 -11.299 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.588 4.682 -11.975 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.967 5.964 -11.860 1.00 0.00 C ATOM 1514 C LYS A 94 -2.454 6.204 -10.455 1.00 0.00 C ATOM 1515 O LYS A 94 -2.551 5.380 -9.554 1.00 0.00 O ATOM 1516 CB LYS A 94 -4.025 6.997 -12.134 1.00 0.00 C ATOM 1517 CG LYS A 94 -5.299 6.709 -11.328 1.00 0.00 C ATOM 1518 CD LYS A 94 -6.435 7.655 -11.711 1.00 0.00 C ATOM 1519 CE LYS A 94 -7.305 7.061 -12.821 1.00 0.00 C ATOM 1520 NZ LYS A 94 -8.412 7.937 -13.188 1.00 0.00 N ATOM 0 H LYS A 94 -4.269 4.467 -11.246 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.130 6.018 -12.556 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.646 7.987 -11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.259 7.009 -13.198 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.611 5.678 -11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.086 6.808 -10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.050 7.861 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.021 8.608 -12.041 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.689 6.871 -13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.699 6.099 -12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.972 7.491 -13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.017 8.098 -12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.038 8.847 -13.526 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.910 7.414 -10.365 1.00 0.00 N ATOM 1535 CA ALA A 95 -1.397 7.876 -9.090 1.00 0.00 C ATOM 1536 C ALA A 95 -2.566 8.439 -8.278 1.00 0.00 C ATOM 1537 O ALA A 95 -2.745 8.141 -7.104 1.00 0.00 O ATOM 1538 CB ALA A 95 -0.340 8.953 -9.322 1.00 0.00 C ATOM 0 H ALA A 95 -1.816 8.072 -11.138 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.934 7.054 -8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.044 9.299 -8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.478 8.539 -9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.786 9.791 -9.857 1.00 0.00 H new ATOM 1544 N ASP A 96 -3.351 9.266 -8.998 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.516 9.871 -8.357 1.00 0.00 C ATOM 1546 C ASP A 96 -4.111 10.947 -7.351 1.00 0.00 C ATOM 1547 O ASP A 96 -4.929 11.702 -6.838 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.320 8.787 -7.677 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.712 8.693 -8.306 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -7.214 9.712 -8.777 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -7.278 7.601 -8.318 1.00 0.00 O ATOM 0 H ASP A 96 -3.204 9.516 -9.976 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.121 10.358 -9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.806 7.830 -7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.407 9.002 -6.612 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.807 10.956 -7.114 1.00 0.00 N ATOM 1557 CA GLY A 97 -2.265 11.925 -6.179 1.00 0.00 C ATOM 1558 C GLY A 97 -0.854 11.548 -5.706 1.00 0.00 C ATOM 1559 O GLY A 97 -0.088 12.389 -5.251 1.00 0.00 O ATOM 0 H GLY A 97 -2.127 10.326 -7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.238 12.907 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.926 12.004 -5.316 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.570 10.234 -5.830 1.00 0.00 N ATOM 1564 CA LEU A 98 0.732 9.765 -5.410 1.00 0.00 C ATOM 1565 C LEU A 98 1.805 10.619 -6.071 1.00 0.00 C ATOM 1566 O LEU A 98 1.537 11.645 -6.682 1.00 0.00 O ATOM 1567 CB LEU A 98 0.919 8.330 -5.879 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.215 7.431 -5.429 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.139 6.094 -6.149 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -0.149 7.246 -3.914 1.00 0.00 C ATOM 0 H LEU A 98 -1.201 9.523 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 98 0.808 9.826 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.987 8.310 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.862 7.943 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.170 7.893 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.958 5.456 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.216 6.255 -7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.812 5.612 -5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.965 6.599 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.804 6.791 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.239 8.216 -3.425 1.00 0.00 H new ATOM 1582 N LEU A 99 3.036 10.110 -5.921 1.00 0.00 N ATOM 1583 CA LEU A 99 4.139 10.787 -6.571 1.00 0.00 C ATOM 1584 C LEU A 99 4.051 10.461 -8.068 1.00 0.00 C ATOM 1585 O LEU A 99 4.238 11.305 -8.935 1.00 0.00 O ATOM 1586 CB LEU A 99 5.461 10.295 -5.988 1.00 0.00 C ATOM 1587 CG LEU A 99 6.512 11.404 -5.945 1.00 0.00 C ATOM 1588 CD1 LEU A 99 6.755 11.967 -7.344 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.072 12.516 -4.991 1.00 0.00 C ATOM 0 H LEU A 99 3.275 9.277 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 99 4.088 11.865 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.294 9.914 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.835 9.464 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 99 7.447 10.980 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.506 12.755 -7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.108 11.171 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.825 12.377 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.830 13.299 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.126 12.936 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.946 12.107 -3.989 1.00 0.00 H new ATOM 1601 N ARG A 100 3.744 9.164 -8.286 1.00 0.00 N ATOM 1602 CA ARG A 100 3.595 8.674 -9.636 1.00 0.00 C ATOM 1603 C ARG A 100 2.746 7.401 -9.590 1.00 0.00 C ATOM 1604 O ARG A 100 2.647 6.733 -8.568 1.00 0.00 O ATOM 1605 CB ARG A 100 4.970 8.372 -10.201 1.00 0.00 C ATOM 1606 CG ARG A 100 4.950 8.240 -11.725 1.00 0.00 C ATOM 1607 CD ARG A 100 4.959 9.608 -12.409 1.00 0.00 C ATOM 1608 NE ARG A 100 3.629 10.191 -12.394 1.00 0.00 N ATOM 1609 CZ ARG A 100 2.779 9.891 -13.396 1.00 0.00 C ATOM 1610 NH1 ARG A 100 3.157 9.068 -14.370 1.00 0.00 N ATOM 1611 NH2 ARG A 100 1.558 10.418 -13.409 1.00 0.00 N ATOM 0 H ARG A 100 3.602 8.469 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 100 3.108 9.414 -10.271 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.661 9.165 -9.915 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.347 7.448 -9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.815 7.663 -12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.063 7.685 -12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.659 10.271 -11.901 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.306 9.505 -13.437 1.00 0.00 H new ATOM 0 HE ARG A 100 3.344 10.815 -11.640 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.093 8.662 -14.360 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.511 8.843 -15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.266 11.048 -12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.913 10.192 -14.166 1.00 0.00 H new ATOM 1625 N VAL A 101 2.140 7.112 -10.753 1.00 0.00 N ATOM 1626 CA VAL A 101 1.319 5.934 -10.832 1.00 0.00 C ATOM 1627 C VAL A 101 2.117 4.719 -10.369 1.00 0.00 C ATOM 1628 O VAL A 101 3.308 4.783 -10.089 1.00 0.00 O ATOM 1629 CB VAL A 101 0.931 5.725 -12.277 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -0.207 4.740 -12.371 1.00 0.00 C ATOM 1631 CG2 VAL A 101 0.552 7.051 -12.942 1.00 0.00 C ATOM 0 H VAL A 101 2.208 7.663 -11.608 1.00 0.00 H new ATOM 0 HA VAL A 101 0.438 6.056 -10.202 1.00 0.00 H new ATOM 0 HB VAL A 101 1.792 5.319 -12.808 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.479 4.597 -13.417 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.101 3.786 -11.942 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.067 5.124 -11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.277 6.871 -13.981 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.293 7.494 -12.415 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.402 7.733 -12.904 1.00 0.00 H new ATOM 1641 N LEU A 102 1.364 3.617 -10.318 1.00 0.00 N ATOM 1642 CA LEU A 102 1.969 2.350 -9.963 1.00 0.00 C ATOM 1643 C LEU A 102 2.153 1.548 -11.234 1.00 0.00 C ATOM 1644 O LEU A 102 1.499 1.765 -12.246 1.00 0.00 O ATOM 1645 CB LEU A 102 1.062 1.587 -9.024 1.00 0.00 C ATOM 1646 CG LEU A 102 1.049 2.170 -7.614 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.904 3.686 -7.633 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.088 1.549 -6.809 1.00 0.00 C ATOM 0 H LEU A 102 0.363 3.583 -10.513 1.00 0.00 H new ATOM 0 HA LEU A 102 2.925 2.520 -9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.048 1.590 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.384 0.547 -8.980 1.00 0.00 H new ATOM 0 HG LEU A 102 2.004 1.933 -7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.899 4.064 -6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.740 4.125 -8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.031 3.956 -8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.093 1.969 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.039 1.764 -7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.054 0.470 -6.751 1.00 0.00 H new ATOM 1660 N THR A 103 3.084 0.613 -11.103 1.00 0.00 N ATOM 1661 CA THR A 103 3.381 -0.224 -12.237 1.00 0.00 C ATOM 1662 C THR A 103 3.856 -1.613 -11.776 1.00 0.00 C ATOM 1663 O THR A 103 3.568 -2.629 -12.396 1.00 0.00 O ATOM 1664 CB THR A 103 4.446 0.502 -13.056 1.00 0.00 C ATOM 1665 OG1 THR A 103 3.896 0.921 -14.279 1.00 0.00 O ATOM 1666 CG2 THR A 103 5.669 -0.355 -13.313 1.00 0.00 C ATOM 0 H THR A 103 3.622 0.425 -10.257 1.00 0.00 H new ATOM 0 HA THR A 103 2.494 -0.394 -12.847 1.00 0.00 H new ATOM 0 HB THR A 103 4.773 1.363 -12.472 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.580 1.388 -14.802 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.393 0.211 -13.899 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.118 -0.643 -12.362 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.377 -1.250 -13.863 1.00 0.00 H new ATOM 1674 N VAL A 104 4.597 -1.582 -10.650 1.00 0.00 N ATOM 1675 CA VAL A 104 5.126 -2.854 -10.126 1.00 0.00 C ATOM 1676 C VAL A 104 5.042 -2.911 -8.604 1.00 0.00 C ATOM 1677 O VAL A 104 5.135 -1.905 -7.925 1.00 0.00 O ATOM 1678 CB VAL A 104 6.610 -2.962 -10.490 1.00 0.00 C ATOM 1679 CG1 VAL A 104 7.194 -4.310 -10.059 1.00 0.00 C ATOM 1680 CG2 VAL A 104 6.837 -2.779 -11.988 1.00 0.00 C ATOM 0 H VAL A 104 4.831 -0.746 -10.115 1.00 0.00 H new ATOM 0 HA VAL A 104 4.534 -3.660 -10.558 1.00 0.00 H new ATOM 0 HB VAL A 104 7.119 -2.161 -9.953 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.248 -4.354 -10.332 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.094 -4.421 -8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.656 -5.116 -10.558 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.901 -2.862 -12.208 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.292 -3.548 -12.535 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.480 -1.795 -12.293 1.00 0.00 H new ATOM 1690 N PRO A 105 4.849 -4.160 -8.099 1.00 0.00 N ATOM 1691 CA PRO A 105 4.859 -4.418 -6.673 1.00 0.00 C ATOM 1692 C PRO A 105 6.290 -4.260 -6.149 1.00 0.00 C ATOM 1693 O PRO A 105 7.244 -4.748 -6.743 1.00 0.00 O ATOM 1694 CB PRO A 105 4.393 -5.859 -6.497 1.00 0.00 C ATOM 1695 CG PRO A 105 4.232 -6.452 -7.909 1.00 0.00 C ATOM 1696 CD PRO A 105 4.498 -5.317 -8.905 1.00 0.00 C ATOM 0 HA PRO A 105 4.214 -3.729 -6.127 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.118 -6.431 -5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.449 -5.896 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.932 -7.273 -8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.229 -6.857 -8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.306 -5.577 -9.589 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.617 -5.117 -9.515 1.00 0.00 H new ATOM 1704 N CYS A 106 6.381 -3.551 -5.020 1.00 0.00 N ATOM 1705 CA CYS A 106 7.706 -3.287 -4.493 1.00 0.00 C ATOM 1706 C CYS A 106 8.147 -4.340 -3.487 1.00 0.00 C ATOM 1707 O CYS A 106 9.325 -4.658 -3.377 1.00 0.00 O ATOM 1708 CB CYS A 106 7.720 -1.903 -3.873 1.00 0.00 C ATOM 1709 SG CYS A 106 9.237 -0.989 -4.252 1.00 0.00 S ATOM 0 H CYS A 106 5.599 -3.172 -4.486 1.00 0.00 H new ATOM 0 HA CYS A 106 8.421 -3.332 -5.315 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.860 -1.338 -4.233 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.613 -1.992 -2.792 1.00 0.00 H new ATOM 0 HG CYS A 106 10.185 -1.827 -4.552 1.00 0.00 H new ATOM 1715 N GLN A 107 7.149 -4.848 -2.752 1.00 0.00 N ATOM 1716 CA GLN A 107 7.472 -5.843 -1.776 1.00 0.00 C ATOM 1717 C GLN A 107 8.396 -6.880 -2.380 1.00 0.00 C ATOM 1718 O GLN A 107 8.734 -6.859 -3.557 1.00 0.00 O ATOM 1719 CB GLN A 107 6.196 -6.490 -1.297 1.00 0.00 C ATOM 1720 CG GLN A 107 6.160 -6.551 0.222 1.00 0.00 C ATOM 1721 CD GLN A 107 6.913 -7.771 0.756 1.00 0.00 C ATOM 1722 OE1 GLN A 107 7.592 -7.709 1.774 1.00 0.00 O ATOM 1723 NE2 GLN A 107 6.740 -8.876 0.010 1.00 0.00 N ATOM 0 H GLN A 107 6.165 -4.590 -2.822 1.00 0.00 H new ATOM 0 HA GLN A 107 7.983 -5.380 -0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.338 -5.927 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.116 -7.496 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.600 -5.643 0.633 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.125 -6.585 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.156 -8.841 -0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.192 -9.749 0.280 1.00 0.00 H new ATOM 1857 N GLU B 3 3.814 11.154 2.729 1.00 0.00 N ATOM 1858 CA GLU B 3 3.875 12.010 1.569 1.00 0.00 C ATOM 1859 C GLU B 3 2.486 12.553 1.297 1.00 0.00 C ATOM 1860 O GLU B 3 1.515 12.189 1.949 1.00 0.00 O ATOM 1861 CB GLU B 3 4.402 11.235 0.389 1.00 0.00 C ATOM 1862 CG GLU B 3 5.917 11.333 0.352 1.00 0.00 C ATOM 1863 CD GLU B 3 6.545 10.709 1.602 1.00 0.00 C ATOM 1864 OE1 GLU B 3 5.945 9.813 2.182 1.00 0.00 O ATOM 1865 OE2 GLU B 3 7.635 11.135 1.981 1.00 0.00 O ATOM 0 HA GLU B 3 4.553 12.845 1.746 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.096 10.191 0.461 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.979 11.628 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.295 10.829 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.214 12.379 0.276 1.00 0.00 H new ATOM 1872 N THR B 4 2.442 13.443 0.301 1.00 0.00 N ATOM 1873 CA THR B 4 1.149 14.013 -0.010 1.00 0.00 C ATOM 1874 C THR B 4 0.635 13.465 -1.328 1.00 0.00 C ATOM 1875 O THR B 4 1.176 13.687 -2.404 1.00 0.00 O ATOM 1876 CB THR B 4 1.230 15.534 -0.031 1.00 0.00 C ATOM 1877 OG1 THR B 4 0.034 16.078 0.476 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.469 16.067 -1.440 1.00 0.00 C ATOM 0 H THR B 4 3.231 13.761 -0.263 1.00 0.00 H new ATOM 0 HA THR B 4 0.440 13.729 0.768 1.00 0.00 H new ATOM 0 HB THR B 4 2.074 15.831 0.591 1.00 0.00 H new ATOM 0 HG1 THR B 4 0.088 17.056 0.463 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.521 17.155 -1.413 1.00 0.00 H new ATOM 0 HG22 THR B 4 2.407 15.668 -1.825 1.00 0.00 H new ATOM 0 HG23 THR B 4 0.650 15.758 -2.090 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.456 12.727 -1.128 1.00 0.00 N ATOM 1887 CA LEU B 5 -1.107 12.088 -2.225 1.00 0.00 C ATOM 1888 C LEU B 5 -1.927 13.115 -3.007 1.00 0.00 C ATOM 1889 O LEU B 5 -3.146 13.038 -3.096 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.994 10.999 -1.653 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.619 9.674 -2.255 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -2.112 8.523 -1.417 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.215 9.578 -3.623 1.00 0.00 C ATOM 0 H LEU B 5 -0.890 12.569 -0.218 1.00 0.00 H new ATOM 0 HA LEU B 5 -0.385 11.652 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.886 10.961 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -3.040 11.221 -1.862 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.532 9.614 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.822 7.582 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.673 8.584 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.198 8.569 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.949 8.620 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.300 9.657 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.831 10.387 -4.245 1.00 0.00 H new