USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 873 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 37 THR OG1 : rot 180:sc= -0.0451 USER MOD Set 1.2: A 38 ASN : amide:sc= -1.54! C(o=-0.9!,f=-8.4!) USER MOD Set 1.3: A 40 ASN : amide:sc= 0.683 K(o=-0.9,f=-2.2) USER MOD Set 1.4: A 42 THR OG1 : rot 180:sc=0.000719 USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0.15 USER MOD Set 2.3: A 77 SER OG : rot 5:sc= 1.13 USER MOD Set 2.4: A 81 GLN :FLIP amide:sc= -0.919! F(o=-0.65,f=0.36!) USER MOD Single : A 29 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5.6!) USER MOD Single : A 30 THR OG1 : rot 65:sc= 1.27 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00374 USER MOD Single : A 41 LYS NZ :NH3+ 131:sc= -0.956! (180deg=-1.32!) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.107 (180deg=-0.476) USER MOD Single : A 46 ASN : amide:sc= -5.77! C(o=-5.8!,f=-12!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.268 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0712 F(o=-1.2,f=-0.071) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0292) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= -0.125 (180deg=-0.621) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -7.93! C(o=-10!,f=-7.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -124:sc= -0.0594 (180deg=-0.506) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -137:sc= -0.17 (180deg=-0.376) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 69:sc= 1.31 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -1.93 (180deg=-2.3!) USER MOD Single : A 86 GLN : amide:sc= -1.88! X(o=-1.9!,f=-1.4) USER MOD Single : A 89 ASN : amide:sc= -6.9! C(o=-6.9!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= -0.564 K(o=-0.56,f=-11!) USER MOD Single : A 94 LYS NZ :NH3+ 146:sc= -1.99! (180deg=-3.49!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= 1.18 (180deg=0.71) USER MOD Single : A 109 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.818) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 118 LYS NZ :NH3+ 178:sc= 0.816 (180deg=0.736) USER MOD Single : A 119 THR OG1 : rot -90:sc= -2.71! USER MOD Single : A 121 ASN : amide:sc= -2.91 K(o=-2.9,f=-8.2!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ -157:sc= -0.0587 (180deg=-0.408) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 353 N VAL A 25 -12.729 3.890 -3.631 1.00 0.22 N ATOM 354 CA VAL A 25 -12.112 2.605 -3.562 1.00 0.20 C ATOM 355 C VAL A 25 -11.325 2.312 -4.814 1.00 0.22 C ATOM 356 O VAL A 25 -10.222 1.789 -4.767 1.00 0.23 O ATOM 357 CB VAL A 25 -13.170 1.535 -3.331 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.585 0.149 -3.493 1.00 1.01 C ATOM 359 CG2 VAL A 25 -13.787 1.714 -1.964 1.00 0.85 C ATOM 0 HA VAL A 25 -11.415 2.601 -2.724 1.00 0.20 H new ATOM 0 HB VAL A 25 -13.952 1.645 -4.082 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.362 -0.596 -3.323 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -12.190 0.037 -4.503 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.781 0.007 -2.771 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.544 0.946 -1.803 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.013 1.627 -1.201 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.250 2.699 -1.900 1.00 0.85 H new ATOM 369 N ASP A 26 -11.923 2.651 -5.927 1.00 0.25 N ATOM 370 CA ASP A 26 -11.268 2.538 -7.216 1.00 0.27 C ATOM 371 C ASP A 26 -9.934 3.289 -7.228 1.00 0.23 C ATOM 372 O ASP A 26 -8.911 2.712 -7.563 1.00 0.22 O ATOM 373 CB ASP A 26 -12.165 3.067 -8.335 1.00 0.32 C ATOM 374 CG ASP A 26 -11.423 3.207 -9.650 1.00 0.39 C ATOM 375 OD1 ASP A 26 -11.037 2.174 -10.233 1.00 0.51 O ATOM 376 OD2 ASP A 26 -11.233 4.351 -10.109 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.876 3.013 -5.971 1.00 0.25 H new ATOM 0 HA ASP A 26 -11.075 1.479 -7.388 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -13.012 2.393 -8.468 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.571 4.036 -8.045 1.00 0.32 H new ATOM 381 N ASP A 27 -9.951 4.563 -6.835 1.00 0.22 N ATOM 382 CA ASP A 27 -8.745 5.393 -6.836 1.00 0.21 C ATOM 383 C ASP A 27 -7.805 4.955 -5.755 1.00 0.16 C ATOM 384 O ASP A 27 -6.594 4.974 -5.943 1.00 0.16 O ATOM 385 CB ASP A 27 -9.050 6.875 -6.626 1.00 0.24 C ATOM 386 CG ASP A 27 -9.529 7.552 -7.892 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.681 8.032 -7.911 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.761 7.607 -8.877 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.790 5.044 -6.511 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.292 5.266 -7.819 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.810 6.980 -5.851 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -8.154 7.380 -6.264 1.00 0.24 H new ATOM 393 N PHE A 28 -8.368 4.582 -4.618 1.00 0.13 N ATOM 394 CA PHE A 28 -7.579 4.024 -3.551 1.00 0.10 C ATOM 395 C PHE A 28 -6.785 2.893 -4.126 1.00 0.10 C ATOM 396 O PHE A 28 -5.571 2.941 -4.203 1.00 0.09 O ATOM 397 CB PHE A 28 -8.445 3.483 -2.406 1.00 0.09 C ATOM 398 CG PHE A 28 -7.652 2.688 -1.415 1.00 0.08 C ATOM 399 CD1 PHE A 28 -7.065 3.298 -0.320 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.539 1.321 -1.549 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.389 2.559 0.615 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.851 0.580 -0.623 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.103 1.239 0.359 1.00 0.08 C ATOM 0 H PHE A 28 -9.365 4.658 -4.418 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.945 4.809 -3.138 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.929 4.316 -1.895 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.237 2.858 -2.818 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -7.141 4.369 -0.201 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -7.998 0.828 -2.393 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -6.083 3.011 1.547 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -6.886 -0.499 -0.651 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.323 0.725 0.901 1.00 0.08 H new ATOM 413 N ASN A 29 -7.528 1.920 -4.605 1.00 0.12 N ATOM 414 CA ASN A 29 -6.975 0.697 -5.164 1.00 0.13 C ATOM 415 C ASN A 29 -6.083 0.975 -6.341 1.00 0.13 C ATOM 416 O ASN A 29 -5.172 0.217 -6.629 1.00 0.14 O ATOM 417 CB ASN A 29 -8.104 -0.217 -5.617 1.00 0.19 C ATOM 418 CG ASN A 29 -8.578 -1.141 -4.525 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.120 -2.274 -4.407 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.496 -0.658 -3.715 1.00 0.23 N ATOM 0 H ASN A 29 -8.547 1.952 -4.619 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.382 0.220 -4.383 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -8.941 0.390 -5.962 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -7.767 -0.809 -6.468 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -9.855 -1.231 -2.952 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.848 0.290 -3.851 1.00 0.23 H new ATOM 427 N THR A 30 -6.347 2.062 -7.015 1.00 0.13 N ATOM 428 CA THR A 30 -5.630 2.386 -8.211 1.00 0.14 C ATOM 429 C THR A 30 -4.309 3.038 -7.888 1.00 0.12 C ATOM 430 O THR A 30 -3.278 2.703 -8.468 1.00 0.12 O ATOM 431 CB THR A 30 -6.450 3.317 -9.092 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.504 2.588 -9.735 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.576 3.994 -10.122 1.00 0.17 C ATOM 0 H THR A 30 -7.060 2.741 -6.750 1.00 0.13 H new ATOM 0 HA THR A 30 -5.444 1.455 -8.747 1.00 0.14 H new ATOM 0 HB THR A 30 -6.889 4.089 -8.459 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.132 2.257 -9.060 1.00 0.20 H new ATOM 0 HG21 THR A 30 -6.186 4.654 -10.739 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.805 4.577 -9.618 1.00 0.17 H new ATOM 0 HG23 THR A 30 -5.106 3.240 -10.753 1.00 0.17 H new ATOM 441 N LEU A 31 -4.346 3.961 -6.950 1.00 0.12 N ATOM 442 CA LEU A 31 -3.161 4.647 -6.530 1.00 0.12 C ATOM 443 C LEU A 31 -2.319 3.655 -5.774 1.00 0.11 C ATOM 444 O LEU A 31 -1.106 3.658 -5.838 1.00 0.12 O ATOM 445 CB LEU A 31 -3.538 5.836 -5.653 1.00 0.14 C ATOM 446 CG LEU A 31 -2.385 6.788 -5.339 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.662 7.189 -6.613 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.917 8.011 -4.629 1.00 0.53 C ATOM 0 H LEU A 31 -5.196 4.249 -6.465 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.602 5.036 -7.381 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.331 6.398 -6.147 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.949 5.463 -4.715 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.672 6.279 -4.690 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.844 7.867 -6.369 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.263 6.299 -7.100 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.359 7.689 -7.285 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -2.093 8.689 -4.406 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.640 8.517 -5.268 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.402 7.710 -3.700 1.00 0.53 H new ATOM 460 N TYR A 32 -3.032 2.773 -5.125 1.00 0.09 N ATOM 461 CA TYR A 32 -2.487 1.652 -4.392 1.00 0.07 C ATOM 462 C TYR A 32 -1.802 0.680 -5.330 1.00 0.08 C ATOM 463 O TYR A 32 -0.674 0.258 -5.096 1.00 0.08 O ATOM 464 CB TYR A 32 -3.666 1.010 -3.716 1.00 0.07 C ATOM 465 CG TYR A 32 -3.452 -0.351 -3.143 1.00 0.06 C ATOM 466 CD1 TYR A 32 -2.983 -0.512 -1.861 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.775 -1.474 -3.880 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.832 -1.762 -1.317 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.621 -2.733 -3.351 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.149 -2.875 -2.064 1.00 0.08 C ATOM 471 OH TYR A 32 -3.007 -4.127 -1.518 1.00 0.15 O ATOM 0 H TYR A 32 -4.051 2.814 -5.089 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.732 1.965 -3.671 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -3.998 1.669 -2.913 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.481 0.951 -4.437 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.730 0.358 -1.274 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.154 -1.361 -4.885 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.466 -1.873 -0.307 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.868 -3.604 -3.939 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.274 -4.803 -2.176 1.00 0.15 H new ATOM 481 N ASP A 33 -2.498 0.360 -6.411 1.00 0.10 N ATOM 482 CA ASP A 33 -1.981 -0.521 -7.444 1.00 0.11 C ATOM 483 C ASP A 33 -0.782 0.127 -8.072 1.00 0.09 C ATOM 484 O ASP A 33 0.113 -0.521 -8.608 1.00 0.11 O ATOM 485 CB ASP A 33 -3.029 -0.756 -8.528 1.00 0.16 C ATOM 486 CG ASP A 33 -3.617 -2.153 -8.486 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.453 -2.431 -7.600 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.246 -2.980 -9.345 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.440 0.706 -6.596 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.717 -1.477 -6.992 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -3.831 -0.026 -8.416 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.578 -0.586 -9.506 1.00 0.16 H new ATOM 493 N ALA A 34 -0.797 1.433 -7.966 1.00 0.08 N ATOM 494 CA ALA A 34 0.183 2.287 -8.573 1.00 0.09 C ATOM 495 C ALA A 34 1.492 2.247 -7.814 1.00 0.08 C ATOM 496 O ALA A 34 2.564 2.331 -8.412 1.00 0.09 O ATOM 497 CB ALA A 34 -0.357 3.683 -8.603 1.00 0.10 C ATOM 0 H ALA A 34 -1.510 1.940 -7.442 1.00 0.08 H new ATOM 0 HA ALA A 34 0.384 1.939 -9.586 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.376 4.347 -9.062 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.279 3.704 -9.184 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.561 4.016 -7.585 1.00 0.10 H new ATOM 503 N PHE A 35 1.399 2.112 -6.487 1.00 0.06 N ATOM 504 CA PHE A 35 2.582 1.994 -5.647 1.00 0.06 C ATOM 505 C PHE A 35 3.335 0.769 -6.030 1.00 0.06 C ATOM 506 O PHE A 35 4.487 0.608 -5.701 1.00 0.08 O ATOM 507 CB PHE A 35 2.217 1.833 -4.195 1.00 0.05 C ATOM 508 CG PHE A 35 1.782 3.073 -3.525 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.625 3.740 -2.666 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.524 3.559 -3.748 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.210 4.888 -2.043 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.096 4.706 -3.135 1.00 0.06 C ATOM 513 CZ PHE A 35 0.943 5.375 -2.281 1.00 0.06 C ATOM 0 H PHE A 35 0.516 2.082 -5.978 1.00 0.06 H new ATOM 0 HA PHE A 35 3.169 2.902 -5.786 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.419 1.095 -4.115 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.078 1.431 -3.661 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.618 3.357 -2.482 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.141 3.032 -4.416 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.873 5.409 -1.368 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.899 5.083 -3.320 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.614 6.283 -1.797 1.00 0.06 H new ATOM 523 N TYR A 36 2.639 -0.118 -6.672 1.00 0.06 N ATOM 524 CA TYR A 36 3.235 -1.314 -7.156 1.00 0.06 C ATOM 525 C TYR A 36 3.630 -1.122 -8.587 1.00 0.08 C ATOM 526 O TYR A 36 2.843 -0.694 -9.429 1.00 0.11 O ATOM 527 CB TYR A 36 2.289 -2.484 -7.016 1.00 0.07 C ATOM 528 CG TYR A 36 1.859 -2.753 -5.603 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.725 -3.354 -4.710 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.582 -2.435 -5.172 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.328 -3.638 -3.420 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.176 -2.707 -3.886 1.00 0.08 C ATOM 533 CZ TYR A 36 1.050 -3.311 -3.013 1.00 0.07 C ATOM 534 OH TYR A 36 0.645 -3.594 -1.730 1.00 0.11 O ATOM 0 H TYR A 36 1.643 -0.029 -6.873 1.00 0.06 H new ATOM 0 HA TYR A 36 4.122 -1.536 -6.563 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.405 -2.298 -7.625 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.770 -3.377 -7.415 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.727 -3.605 -5.026 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.108 -1.965 -5.858 1.00 0.07 H new ATOM 0 HE1 TYR A 36 3.012 -4.113 -2.733 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.822 -2.448 -3.564 1.00 0.08 H new ATOM 0 HH TYR A 36 -0.281 -3.298 -1.607 1.00 0.11 H new ATOM 544 N THR A 37 4.876 -1.415 -8.824 1.00 0.08 N ATOM 545 CA THR A 37 5.469 -1.275 -10.149 1.00 0.11 C ATOM 546 C THR A 37 4.740 -2.154 -11.153 1.00 0.14 C ATOM 547 O THR A 37 4.708 -1.870 -12.351 1.00 0.17 O ATOM 548 CB THR A 37 6.956 -1.665 -10.144 1.00 0.12 C ATOM 549 OG1 THR A 37 7.098 -3.092 -10.165 1.00 0.14 O ATOM 550 CG2 THR A 37 7.627 -1.133 -8.908 1.00 0.11 C ATOM 0 H THR A 37 5.521 -1.759 -8.113 1.00 0.08 H new ATOM 0 HA THR A 37 5.377 -0.227 -10.433 1.00 0.11 H new ATOM 0 HB THR A 37 7.422 -1.237 -11.032 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.050 -3.326 -10.163 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.680 -1.415 -8.915 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.543 -0.046 -8.887 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.145 -1.551 -8.024 1.00 0.11 H new ATOM 558 N ASN A 38 4.154 -3.222 -10.639 1.00 0.15 N ATOM 559 CA ASN A 38 3.443 -4.182 -11.449 1.00 0.26 C ATOM 560 C ASN A 38 2.276 -4.719 -10.633 1.00 0.29 C ATOM 561 O ASN A 38 2.327 -4.708 -9.401 1.00 0.71 O ATOM 562 CB ASN A 38 4.391 -5.310 -11.872 1.00 0.38 C ATOM 563 CG ASN A 38 4.750 -6.247 -10.735 1.00 0.65 C ATOM 564 OD1 ASN A 38 4.066 -7.234 -10.509 1.00 1.52 O ATOM 565 ND2 ASN A 38 5.819 -5.952 -10.017 1.00 0.99 N ATOM 0 H ASN A 38 4.161 -3.444 -9.643 1.00 0.15 H new ATOM 0 HA ASN A 38 3.063 -3.714 -12.357 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.927 -5.884 -12.674 1.00 0.38 H new ATOM 0 HB3 ASN A 38 5.304 -4.875 -12.278 1.00 0.38 H new ATOM 0 HD21 ASN A 38 6.097 -6.557 -9.245 1.00 0.99 H new ATOM 0 HD22 ASN A 38 6.366 -5.119 -10.235 1.00 0.99 H new ATOM 572 N SER A 39 1.233 -5.188 -11.303 1.00 0.33 N ATOM 573 CA SER A 39 -0.010 -5.529 -10.619 1.00 0.28 C ATOM 574 C SER A 39 0.088 -6.833 -9.835 1.00 0.22 C ATOM 575 O SER A 39 -0.878 -7.244 -9.193 1.00 0.24 O ATOM 576 CB SER A 39 -1.173 -5.592 -11.602 1.00 0.35 C ATOM 577 OG SER A 39 -0.856 -6.386 -12.736 1.00 0.36 O ATOM 0 H SER A 39 1.220 -5.341 -12.311 1.00 0.33 H new ATOM 0 HA SER A 39 -0.194 -4.732 -9.898 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.050 -6.003 -11.103 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.433 -4.584 -11.924 1.00 0.35 H new ATOM 0 HG SER A 39 -1.623 -6.407 -13.345 1.00 0.36 H new ATOM 583 N ASN A 40 1.243 -7.483 -9.870 1.00 0.20 N ATOM 584 CA ASN A 40 1.475 -8.621 -8.993 1.00 0.20 C ATOM 585 C ASN A 40 1.766 -8.114 -7.596 1.00 0.16 C ATOM 586 O ASN A 40 1.712 -8.860 -6.617 1.00 0.18 O ATOM 587 CB ASN A 40 2.617 -9.506 -9.484 1.00 0.26 C ATOM 588 CG ASN A 40 2.352 -10.091 -10.856 1.00 0.43 C ATOM 589 OD1 ASN A 40 1.711 -11.134 -10.985 1.00 1.09 O ATOM 590 ND2 ASN A 40 2.853 -9.435 -11.887 1.00 1.15 N ATOM 0 H ASN A 40 2.022 -7.247 -10.485 1.00 0.20 H new ATOM 0 HA ASN A 40 0.577 -9.238 -8.991 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.537 -8.922 -9.513 1.00 0.26 H new ATOM 0 HB3 ASN A 40 2.776 -10.316 -8.772 1.00 0.26 H new ATOM 0 HD21 ASN A 40 2.714 -9.790 -12.833 1.00 1.15 H new ATOM 0 HD22 ASN A 40 3.378 -8.574 -11.737 1.00 1.15 H new ATOM 597 N LYS A 41 2.043 -6.799 -7.533 1.00 0.13 N ATOM 598 CA LYS A 41 2.232 -6.082 -6.290 1.00 0.11 C ATOM 599 C LYS A 41 3.303 -6.734 -5.459 1.00 0.11 C ATOM 600 O LYS A 41 3.215 -6.843 -4.240 1.00 0.12 O ATOM 601 CB LYS A 41 0.890 -5.970 -5.609 1.00 0.11 C ATOM 602 CG LYS A 41 -0.140 -5.469 -6.588 1.00 0.13 C ATOM 603 CD LYS A 41 -1.525 -5.666 -6.070 1.00 0.17 C ATOM 604 CE LYS A 41 -2.201 -4.346 -5.895 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.681 -4.478 -5.892 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.140 -6.211 -8.361 1.00 0.13 H new ATOM 0 HA LYS A 41 2.597 -5.069 -6.462 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.589 -6.941 -5.216 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.959 -5.290 -4.760 1.00 0.11 H new ATOM 0 HG2 LYS A 41 0.029 -4.411 -6.786 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.027 -5.993 -7.537 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.095 -6.286 -6.761 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.493 -6.196 -5.118 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.875 -3.892 -4.959 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -1.898 -3.674 -6.698 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.074 -3.966 -5.077 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.067 -4.078 -6.771 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -3.940 -5.483 -5.826 1.00 0.66 H new ATOM 619 N THR A 42 4.333 -7.130 -6.179 1.00 0.11 N ATOM 620 CA THR A 42 5.501 -7.769 -5.626 1.00 0.12 C ATOM 621 C THR A 42 6.656 -6.786 -5.593 1.00 0.10 C ATOM 622 O THR A 42 7.758 -7.091 -5.141 1.00 0.13 O ATOM 623 CB THR A 42 5.858 -8.968 -6.498 1.00 0.16 C ATOM 624 OG1 THR A 42 6.020 -8.546 -7.862 1.00 0.18 O ATOM 625 CG2 THR A 42 4.746 -9.984 -6.410 1.00 0.21 C ATOM 0 H THR A 42 4.378 -7.011 -7.191 1.00 0.11 H new ATOM 0 HA THR A 42 5.299 -8.102 -4.608 1.00 0.12 H new ATOM 0 HB THR A 42 6.792 -9.410 -6.151 1.00 0.16 H new ATOM 0 HG1 THR A 42 6.251 -9.319 -8.418 1.00 0.18 H new ATOM 0 HG21 THR A 42 4.991 -10.846 -7.030 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.626 -10.304 -5.375 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.816 -9.537 -6.761 1.00 0.21 H new ATOM 633 N ALA A 43 6.361 -5.585 -6.059 1.00 0.09 N ATOM 634 CA ALA A 43 7.356 -4.557 -6.253 1.00 0.09 C ATOM 635 C ALA A 43 6.689 -3.201 -6.199 1.00 0.07 C ATOM 636 O ALA A 43 5.532 -3.063 -6.587 1.00 0.09 O ATOM 637 CB ALA A 43 8.051 -4.755 -7.582 1.00 0.10 C ATOM 0 H ALA A 43 5.416 -5.298 -6.314 1.00 0.09 H new ATOM 0 HA ALA A 43 8.104 -4.617 -5.463 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.800 -3.975 -7.721 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.536 -5.731 -7.597 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.318 -4.701 -8.387 1.00 0.10 H new ATOM 643 N LEU A 44 7.412 -2.213 -5.714 1.00 0.06 N ATOM 644 CA LEU A 44 6.846 -0.916 -5.452 1.00 0.06 C ATOM 645 C LEU A 44 7.574 0.234 -6.118 1.00 0.08 C ATOM 646 O LEU A 44 8.801 0.266 -6.204 1.00 0.09 O ATOM 647 CB LEU A 44 6.824 -0.716 -3.968 1.00 0.06 C ATOM 648 CG LEU A 44 5.820 -1.590 -3.274 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.486 -2.490 -2.273 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.846 -0.720 -2.586 1.00 0.05 C ATOM 0 H LEU A 44 8.405 -2.291 -5.493 1.00 0.06 H new ATOM 0 HA LEU A 44 5.845 -0.906 -5.883 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.816 -0.920 -3.565 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.600 0.328 -3.751 1.00 0.06 H new ATOM 0 HG LEU A 44 5.322 -2.220 -4.011 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.735 -3.111 -1.786 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.210 -3.127 -2.781 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.998 -1.886 -1.524 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.106 -1.336 -2.074 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.365 -0.097 -1.858 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.346 -0.084 -3.317 1.00 0.05 H new ATOM 662 N LYS A 45 6.768 1.178 -6.576 1.00 0.10 N ATOM 663 CA LYS A 45 7.222 2.377 -7.207 1.00 0.12 C ATOM 664 C LYS A 45 7.403 3.448 -6.187 1.00 0.12 C ATOM 665 O LYS A 45 6.523 3.725 -5.380 1.00 0.14 O ATOM 666 CB LYS A 45 6.226 2.855 -8.241 1.00 0.15 C ATOM 667 CG LYS A 45 6.524 2.362 -9.632 1.00 0.26 C ATOM 668 CD LYS A 45 7.860 2.867 -10.147 1.00 1.23 C ATOM 669 CE LYS A 45 7.751 4.279 -10.699 1.00 1.55 C ATOM 670 NZ LYS A 45 6.889 4.331 -11.908 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.752 1.116 -6.510 1.00 0.10 H new ATOM 0 HA LYS A 45 8.170 2.160 -7.698 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.228 2.525 -7.953 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.213 3.945 -8.245 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.523 1.272 -9.637 1.00 0.26 H new ATOM 0 HG3 LYS A 45 5.731 2.684 -10.307 1.00 0.26 H new ATOM 0 HD2 LYS A 45 8.592 2.847 -9.340 1.00 1.23 H new ATOM 0 HD3 LYS A 45 8.226 2.199 -10.926 1.00 1.23 H new ATOM 0 HE2 LYS A 45 7.344 4.939 -9.933 1.00 1.55 H new ATOM 0 HE3 LYS A 45 8.745 4.652 -10.945 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 7.133 5.170 -12.472 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 7.039 3.474 -12.478 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 5.891 4.385 -11.621 1.00 1.95 H new ATOM 684 N ASN A 46 8.518 4.084 -6.290 1.00 0.15 N ATOM 685 CA ASN A 46 8.981 4.969 -5.243 1.00 0.15 C ATOM 686 C ASN A 46 8.406 6.368 -5.387 1.00 0.14 C ATOM 687 O ASN A 46 8.355 7.132 -4.423 1.00 0.17 O ATOM 688 CB ASN A 46 10.488 4.986 -5.224 1.00 0.22 C ATOM 689 CG ASN A 46 10.988 3.614 -4.949 1.00 0.62 C ATOM 690 OD1 ASN A 46 10.976 2.754 -5.819 1.00 1.78 O ATOM 691 ND2 ASN A 46 11.413 3.396 -3.733 1.00 0.54 N ATOM 0 H ASN A 46 9.143 4.016 -7.093 1.00 0.15 H new ATOM 0 HA ASN A 46 8.623 4.589 -4.286 1.00 0.15 H new ATOM 0 HB2 ASN A 46 10.872 5.341 -6.180 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.846 5.677 -4.461 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.757 2.472 -3.471 1.00 0.54 H new ATOM 0 HD22 ASN A 46 11.401 4.150 -3.046 1.00 0.54 H new ATOM 698 N SER A 47 7.963 6.692 -6.592 1.00 0.14 N ATOM 699 CA SER A 47 7.305 7.963 -6.851 1.00 0.16 C ATOM 700 C SER A 47 5.930 7.985 -6.189 1.00 0.13 C ATOM 701 O SER A 47 5.410 9.042 -5.823 1.00 0.17 O ATOM 702 CB SER A 47 7.175 8.172 -8.360 1.00 0.21 C ATOM 703 OG SER A 47 6.627 7.019 -8.984 1.00 1.32 O ATOM 0 H SER A 47 8.048 6.089 -7.410 1.00 0.14 H new ATOM 0 HA SER A 47 7.902 8.772 -6.431 1.00 0.16 H new ATOM 0 HB2 SER A 47 6.540 9.035 -8.559 1.00 0.21 H new ATOM 0 HB3 SER A 47 8.154 8.392 -8.787 1.00 0.21 H new ATOM 0 HG SER A 47 6.551 7.174 -9.949 1.00 1.32 H new ATOM 709 N GLN A 48 5.356 6.797 -6.027 1.00 0.10 N ATOM 710 CA GLN A 48 4.052 6.634 -5.424 1.00 0.10 C ATOM 711 C GLN A 48 4.097 6.872 -3.933 1.00 0.09 C ATOM 712 O GLN A 48 3.091 7.229 -3.343 1.00 0.10 O ATOM 713 CB GLN A 48 3.569 5.229 -5.702 1.00 0.13 C ATOM 714 CG GLN A 48 3.555 4.886 -7.178 1.00 0.15 C ATOM 715 CD GLN A 48 2.556 5.709 -7.968 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.457 6.087 -7.332 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 2.764 5.994 -9.144 1.00 0.49 N flip ATOM 0 H GLN A 48 5.791 5.920 -6.314 1.00 0.10 H new ATOM 0 HA GLN A 48 3.370 7.368 -5.854 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.209 4.521 -5.177 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.564 5.110 -5.298 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.552 5.041 -7.591 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.321 3.828 -7.297 1.00 0.15 H new ATOM 0 HE21 GLN A 48 3.623 5.685 -9.600 1.00 0.49 H new ATOM 0 HE22 GLN A 48 2.078 6.540 -9.665 1.00 0.49 H new ATOM 726 N PHE A 49 5.263 6.685 -3.327 1.00 0.09 N ATOM 727 CA PHE A 49 5.411 6.830 -1.884 1.00 0.09 C ATOM 728 C PHE A 49 4.917 8.196 -1.407 1.00 0.11 C ATOM 729 O PHE A 49 4.491 8.346 -0.267 1.00 0.13 O ATOM 730 CB PHE A 49 6.864 6.648 -1.452 1.00 0.09 C ATOM 731 CG PHE A 49 7.444 5.279 -1.672 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.645 4.884 -1.106 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.768 4.386 -2.473 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.155 3.615 -1.347 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.264 3.129 -2.714 1.00 0.11 C ATOM 736 CZ PHE A 49 8.572 2.763 -2.001 1.00 0.07 C ATOM 0 H PHE A 49 6.123 6.432 -3.814 1.00 0.09 H new ATOM 0 HA PHE A 49 4.802 6.050 -1.427 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.477 7.372 -1.989 1.00 0.09 H new ATOM 0 HB3 PHE A 49 6.941 6.889 -0.392 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.189 5.568 -0.472 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.830 4.680 -2.920 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.121 3.367 -0.933 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.760 2.435 -3.370 1.00 0.11 H new ATOM 0 HZ PHE A 49 8.973 1.763 -2.076 1.00 0.07 H new ATOM 746 N ASP A 50 4.959 9.180 -2.299 1.00 0.11 N ATOM 747 CA ASP A 50 4.516 10.537 -1.986 1.00 0.15 C ATOM 748 C ASP A 50 3.005 10.553 -1.792 1.00 0.15 C ATOM 749 O ASP A 50 2.449 11.402 -1.096 1.00 0.20 O ATOM 750 CB ASP A 50 4.903 11.476 -3.128 1.00 0.19 C ATOM 751 CG ASP A 50 4.708 12.939 -2.789 1.00 0.29 C ATOM 752 OD1 ASP A 50 3.593 13.458 -3.015 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.652 13.568 -2.267 1.00 0.36 O1- ATOM 0 H ASP A 50 5.298 9.063 -3.254 1.00 0.11 H new ATOM 0 HA ASP A 50 4.996 10.872 -1.066 1.00 0.15 H new ATOM 0 HB2 ASP A 50 5.947 11.307 -3.391 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.309 11.231 -4.008 1.00 0.19 H new ATOM 758 N LYS A 51 2.365 9.577 -2.412 1.00 0.11 N ATOM 759 CA LYS A 51 0.924 9.417 -2.384 1.00 0.11 C ATOM 760 C LYS A 51 0.526 8.431 -1.317 1.00 0.10 C ATOM 761 O LYS A 51 -0.609 8.007 -1.272 1.00 0.11 O ATOM 762 CB LYS A 51 0.448 8.864 -3.705 1.00 0.13 C ATOM 763 CG LYS A 51 1.321 9.239 -4.863 1.00 0.14 C ATOM 764 CD LYS A 51 0.559 10.062 -5.852 1.00 0.49 C ATOM 765 CE LYS A 51 1.453 10.592 -6.945 1.00 0.45 C ATOM 766 NZ LYS A 51 0.690 11.362 -7.962 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.843 8.861 -2.959 1.00 0.11 H new ATOM 0 HA LYS A 51 0.480 10.392 -2.184 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.397 7.777 -3.637 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.565 9.220 -3.894 1.00 0.13 H new ATOM 0 HG2 LYS A 51 2.186 9.798 -4.507 1.00 0.14 H new ATOM 0 HG3 LYS A 51 1.700 8.338 -5.346 1.00 0.14 H new ATOM 0 HD2 LYS A 51 -0.235 9.459 -6.292 1.00 0.49 H new ATOM 0 HD3 LYS A 51 0.079 10.895 -5.339 1.00 0.49 H new ATOM 0 HE2 LYS A 51 2.221 11.230 -6.508 1.00 0.45 H new ATOM 0 HE3 LYS A 51 1.966 9.761 -7.429 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 1.341 11.709 -8.695 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 -0.026 10.747 -8.398 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 0.221 12.170 -7.506 1.00 1.47 H new ATOM 780 N LEU A 52 1.467 7.995 -0.511 1.00 0.09 N ATOM 781 CA LEU A 52 1.142 7.067 0.556 1.00 0.08 C ATOM 782 C LEU A 52 0.245 7.736 1.589 1.00 0.09 C ATOM 783 O LEU A 52 -0.674 7.116 2.120 1.00 0.09 O ATOM 784 CB LEU A 52 2.400 6.524 1.210 1.00 0.08 C ATOM 785 CG LEU A 52 2.281 5.124 1.781 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.443 5.178 3.269 1.00 0.07 C ATOM 787 CD2 LEU A 52 0.967 4.457 1.401 1.00 0.08 C ATOM 0 H LEU A 52 2.450 8.261 -0.569 1.00 0.09 H new ATOM 0 HA LEU A 52 0.602 6.226 0.120 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.204 6.531 0.474 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.695 7.202 2.011 1.00 0.08 H new ATOM 0 HG LEU A 52 3.075 4.513 1.350 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.358 4.172 3.681 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.423 5.589 3.514 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.667 5.812 3.697 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.928 3.457 1.833 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.135 5.049 1.782 1.00 0.08 H new ATOM 0 HD23 LEU A 52 0.895 4.386 0.316 1.00 0.08 H new ATOM 799 N SER A 53 0.492 9.006 1.851 1.00 0.10 N ATOM 800 CA SER A 53 -0.399 9.787 2.692 1.00 0.11 C ATOM 801 C SER A 53 -1.702 10.040 1.945 1.00 0.11 C ATOM 802 O SER A 53 -2.738 10.328 2.544 1.00 0.13 O ATOM 803 CB SER A 53 0.277 11.100 3.087 1.00 0.14 C ATOM 804 OG SER A 53 0.923 11.689 1.969 1.00 1.25 O ATOM 0 H SER A 53 1.299 9.518 1.495 1.00 0.10 H new ATOM 0 HA SER A 53 -0.624 9.238 3.606 1.00 0.11 H new ATOM 0 HB2 SER A 53 -0.465 11.790 3.489 1.00 0.14 H new ATOM 0 HB3 SER A 53 1.004 10.917 3.878 1.00 0.14 H new ATOM 0 HG SER A 53 1.348 12.529 2.242 1.00 1.25 H new ATOM 810 N GLN A 54 -1.635 9.904 0.629 1.00 0.10 N ATOM 811 CA GLN A 54 -2.791 9.996 -0.224 1.00 0.11 C ATOM 812 C GLN A 54 -3.557 8.676 -0.210 1.00 0.09 C ATOM 813 O GLN A 54 -4.771 8.648 -0.237 1.00 0.10 O ATOM 814 CB GLN A 54 -2.362 10.315 -1.631 1.00 0.12 C ATOM 815 CG GLN A 54 -3.516 10.509 -2.573 1.00 0.17 C ATOM 816 CD GLN A 54 -3.593 11.902 -3.149 1.00 0.69 C ATOM 817 OE1 GLN A 54 -4.194 12.804 -2.563 1.00 1.24 O ATOM 818 NE2 GLN A 54 -3.028 12.071 -4.326 1.00 0.70 N ATOM 0 H GLN A 54 -0.765 9.725 0.127 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.440 10.790 0.145 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.753 11.219 -1.622 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.730 9.509 -2.003 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.434 9.791 -3.389 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.445 10.290 -2.047 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -2.541 11.295 -4.774 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -3.078 12.978 -4.790 1.00 0.70 H new ATOM 827 N LEU A 55 -2.818 7.582 -0.172 1.00 0.08 N ATOM 828 CA LEU A 55 -3.367 6.254 -0.060 1.00 0.07 C ATOM 829 C LEU A 55 -3.974 6.103 1.317 1.00 0.07 C ATOM 830 O LEU A 55 -4.907 5.338 1.529 1.00 0.08 O ATOM 831 CB LEU A 55 -2.237 5.258 -0.291 1.00 0.06 C ATOM 832 CG LEU A 55 -2.571 4.046 -1.150 1.00 0.06 C ATOM 833 CD1 LEU A 55 -3.074 2.906 -0.287 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.598 4.401 -2.217 1.00 0.10 C ATOM 0 H LEU A 55 -1.799 7.598 -0.219 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.148 6.072 -0.798 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.404 5.787 -0.755 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.889 4.904 0.679 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.658 3.725 -1.652 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.308 2.048 -0.917 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.305 2.628 0.433 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.972 3.221 0.245 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.819 3.518 -2.817 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.512 4.754 -1.739 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -3.199 5.186 -2.860 1.00 0.10 H new ATOM 846 N LYS A 56 -3.441 6.884 2.242 1.00 0.07 N ATOM 847 CA LYS A 56 -3.988 6.972 3.581 1.00 0.08 C ATOM 848 C LYS A 56 -5.174 7.901 3.560 1.00 0.09 C ATOM 849 O LYS A 56 -6.058 7.843 4.399 1.00 0.12 O ATOM 850 CB LYS A 56 -2.934 7.506 4.551 1.00 0.10 C ATOM 851 CG LYS A 56 -3.310 7.367 6.016 1.00 0.11 C ATOM 852 CD LYS A 56 -4.328 6.260 6.219 1.00 0.11 C ATOM 853 CE LYS A 56 -4.385 5.803 7.666 1.00 0.20 C ATOM 854 NZ LYS A 56 -4.755 6.903 8.591 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.622 7.471 2.085 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.295 5.980 3.913 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -1.996 6.979 4.377 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.754 8.558 4.332 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.417 7.156 6.605 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.717 8.310 6.381 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.313 6.611 5.910 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.076 5.413 5.580 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.109 4.993 7.760 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -3.415 5.399 7.955 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -4.897 6.520 9.547 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -3.993 7.611 8.611 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -5.635 7.351 8.264 1.00 0.82 H new ATOM 868 N THR A 57 -5.160 8.747 2.572 1.00 0.09 N ATOM 869 CA THR A 57 -6.192 9.716 2.368 1.00 0.10 C ATOM 870 C THR A 57 -7.402 9.053 1.736 1.00 0.09 C ATOM 871 O THR A 57 -8.534 9.333 2.098 1.00 0.11 O ATOM 872 CB THR A 57 -5.668 10.856 1.486 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.553 12.071 2.235 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.522 11.064 0.257 1.00 0.12 C ATOM 0 H THR A 57 -4.417 8.782 1.874 1.00 0.09 H new ATOM 0 HA THR A 57 -6.493 10.136 3.328 1.00 0.10 H new ATOM 0 HB THR A 57 -4.675 10.564 1.144 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.216 12.783 1.653 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.112 11.881 -0.337 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.531 10.151 -0.339 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.540 11.310 0.559 1.00 0.12 H new ATOM 882 N LEU A 58 -7.140 8.185 0.778 1.00 0.09 N ATOM 883 CA LEU A 58 -8.158 7.397 0.156 1.00 0.09 C ATOM 884 C LEU A 58 -8.673 6.378 1.138 1.00 0.09 C ATOM 885 O LEU A 58 -9.864 6.192 1.283 1.00 0.12 O ATOM 886 CB LEU A 58 -7.534 6.772 -1.068 1.00 0.11 C ATOM 887 CG LEU A 58 -6.973 7.813 -2.017 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.895 7.204 -2.893 1.00 0.13 C ATOM 889 CD2 LEU A 58 -8.106 8.420 -2.832 1.00 0.16 C ATOM 0 H LEU A 58 -6.203 8.014 0.414 1.00 0.09 H new ATOM 0 HA LEU A 58 -9.020 7.991 -0.148 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.737 6.094 -0.762 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -8.280 6.172 -1.589 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.503 8.616 -1.449 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.503 7.964 -3.568 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -5.088 6.824 -2.266 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -6.318 6.385 -3.475 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.703 9.168 -3.514 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.602 7.637 -3.405 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.825 8.890 -2.161 1.00 0.16 H new ATOM 901 N LEU A 59 -7.768 5.765 1.867 1.00 0.07 N ATOM 902 CA LEU A 59 -8.155 4.912 2.968 1.00 0.07 C ATOM 903 C LEU A 59 -8.943 5.727 3.990 1.00 0.09 C ATOM 904 O LEU A 59 -9.868 5.237 4.605 1.00 0.11 O ATOM 905 CB LEU A 59 -6.910 4.325 3.607 1.00 0.07 C ATOM 906 CG LEU A 59 -7.095 2.984 4.308 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.085 3.160 5.790 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.394 2.338 3.913 1.00 0.08 C ATOM 0 H LEU A 59 -6.762 5.841 1.718 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.785 4.100 2.606 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.149 4.209 2.836 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.523 5.042 4.331 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.266 2.345 4.003 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.218 2.192 6.272 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.133 3.591 6.099 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -7.897 3.826 6.083 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.497 1.383 4.429 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.223 2.990 4.187 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.405 2.171 2.836 1.00 0.08 H new ATOM 920 N ASP A 60 -8.565 6.981 4.153 1.00 0.09 N ATOM 921 CA ASP A 60 -9.299 7.922 4.998 1.00 0.11 C ATOM 922 C ASP A 60 -10.677 8.148 4.427 1.00 0.12 C ATOM 923 O ASP A 60 -11.608 8.556 5.114 1.00 0.16 O ATOM 924 CB ASP A 60 -8.606 9.282 5.019 1.00 0.17 C ATOM 925 CG ASP A 60 -8.522 9.920 6.387 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.397 10.058 6.915 1.00 0.66 O ATOM 927 OD2 ASP A 60 -9.573 10.326 6.924 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.741 7.382 3.706 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.344 7.499 6.002 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.597 9.168 4.622 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.138 9.957 4.349 1.00 0.17 H new ATOM 932 N LYS A 61 -10.773 7.938 3.143 1.00 0.12 N ATOM 933 CA LYS A 61 -12.015 8.087 2.442 1.00 0.14 C ATOM 934 C LYS A 61 -12.751 6.766 2.392 1.00 0.12 C ATOM 935 O LYS A 61 -13.908 6.673 1.976 1.00 0.17 O ATOM 936 CB LYS A 61 -11.731 8.644 1.073 1.00 0.19 C ATOM 937 CG LYS A 61 -11.185 10.039 1.167 1.00 0.25 C ATOM 938 CD LYS A 61 -11.628 10.916 0.010 1.00 0.39 C ATOM 939 CE LYS A 61 -11.256 12.368 0.251 1.00 1.20 C ATOM 940 NZ LYS A 61 -11.905 12.911 1.475 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.989 7.658 2.553 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.669 8.785 2.964 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -11.017 8.003 0.556 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.645 8.646 0.480 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.509 10.490 2.105 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -10.096 9.999 1.192 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -11.165 10.567 -0.913 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -12.707 10.831 -0.123 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -10.174 12.455 0.345 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -11.550 12.966 -0.612 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -11.946 13.948 1.415 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -12.870 12.531 1.554 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -11.354 12.634 2.312 1.00 1.92 H new ATOM 954 N LEU A 62 -12.054 5.757 2.858 1.00 0.10 N ATOM 955 CA LEU A 62 -12.640 4.458 3.114 1.00 0.11 C ATOM 956 C LEU A 62 -13.071 4.437 4.546 1.00 0.12 C ATOM 957 O LEU A 62 -13.899 3.641 4.954 1.00 0.14 O ATOM 958 CB LEU A 62 -11.664 3.307 2.892 1.00 0.11 C ATOM 959 CG LEU A 62 -11.499 2.831 1.456 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.631 3.328 0.595 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.179 3.248 0.889 1.00 0.11 C ATOM 0 H LEU A 62 -11.058 5.812 3.072 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.468 4.317 2.419 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.686 3.610 3.266 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -11.989 2.461 3.498 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.526 1.741 1.464 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.492 2.976 -0.427 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.577 2.950 0.984 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.644 4.418 0.605 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.095 2.891 -0.138 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.104 4.335 0.903 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.375 2.822 1.488 1.00 0.11 H new ATOM 973 N GLU A 63 -12.406 5.272 5.316 1.00 0.11 N ATOM 974 CA GLU A 63 -12.748 5.495 6.699 1.00 0.14 C ATOM 975 C GLU A 63 -14.240 5.688 6.887 1.00 0.16 C ATOM 976 O GLU A 63 -14.874 6.467 6.173 1.00 0.20 O ATOM 977 CB GLU A 63 -12.006 6.700 7.240 1.00 0.16 C ATOM 978 CG GLU A 63 -10.690 6.357 7.896 1.00 0.17 C ATOM 979 CD GLU A 63 -10.172 7.450 8.799 1.00 0.85 C ATOM 980 OE1 GLU A 63 -8.940 7.564 8.957 1.00 1.29 O ATOM 981 OE2 GLU A 63 -10.994 8.220 9.329 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.607 5.818 4.994 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.450 4.605 7.253 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.824 7.400 6.425 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.640 7.212 7.964 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -10.808 5.442 8.476 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -9.949 6.152 7.123 1.00 0.17 H new ATOM 988 N GLY A 64 -14.789 4.965 7.845 1.00 0.18 N ATOM 989 CA GLY A 64 -16.210 5.003 8.075 1.00 0.20 C ATOM 990 C GLY A 64 -16.932 3.998 7.209 1.00 0.20 C ATOM 991 O GLY A 64 -18.129 3.763 7.368 1.00 0.26 O ATOM 0 H GLY A 64 -14.270 4.349 8.471 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.416 4.796 9.125 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.588 6.004 7.867 1.00 0.20 H new ATOM 995 N SER A 65 -16.198 3.410 6.277 1.00 0.16 N ATOM 996 CA SER A 65 -16.744 2.406 5.389 1.00 0.16 C ATOM 997 C SER A 65 -16.166 1.044 5.753 1.00 0.18 C ATOM 998 O SER A 65 -15.239 0.961 6.558 1.00 0.25 O ATOM 999 CB SER A 65 -16.387 2.767 3.950 1.00 0.19 C ATOM 1000 OG SER A 65 -16.621 4.142 3.699 1.00 0.27 O ATOM 0 H SER A 65 -15.212 3.617 6.118 1.00 0.16 H new ATOM 0 HA SER A 65 -17.829 2.366 5.488 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.339 2.532 3.761 1.00 0.19 H new ATOM 0 HB3 SER A 65 -16.978 2.162 3.262 1.00 0.19 H new ATOM 0 HG SER A 65 -16.383 4.350 2.771 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.694 -0.021 5.168 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.161 -1.347 5.441 1.00 0.22 C ATOM 1008 C ARG A 66 -14.936 -1.610 4.596 1.00 0.21 C ATOM 1009 O ARG A 66 -14.074 -2.407 4.963 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.182 -2.438 5.198 1.00 0.26 C ATOM 1011 CG ARG A 66 -17.541 -2.650 3.758 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.010 -4.068 3.549 1.00 0.47 C ATOM 1013 NE ARG A 66 -18.782 -4.554 4.693 1.00 1.46 N ATOM 1014 CZ ARG A 66 -19.645 -5.563 4.651 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -19.897 -6.193 3.510 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -20.242 -5.949 5.768 1.00 3.05 N ATOM 0 H ARG A 66 -17.476 0.004 4.514 1.00 0.21 H new ATOM 0 HA ARG A 66 -15.893 -1.366 6.497 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -16.798 -3.374 5.604 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.089 -2.198 5.753 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -18.324 -1.952 3.463 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -16.677 -2.446 3.125 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -18.621 -4.121 2.648 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -17.149 -4.717 3.388 1.00 0.47 H new ATOM 0 HE ARG A 66 -18.648 -4.084 5.588 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -19.426 -5.904 2.653 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -20.562 -6.966 3.490 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -20.037 -5.473 6.647 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -20.907 -6.722 5.750 1.00 3.05 H new ATOM 1030 N GLU A 67 -14.864 -0.922 3.467 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.723 -1.029 2.586 1.00 0.18 C ATOM 1032 C GLU A 67 -12.493 -0.644 3.317 1.00 0.15 C ATOM 1033 O GLU A 67 -11.462 -1.253 3.155 1.00 0.14 O ATOM 1034 CB GLU A 67 -13.895 -0.152 1.380 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.522 -0.864 0.234 1.00 0.33 C ATOM 1036 CD GLU A 67 -13.751 -2.086 -0.214 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -13.866 -3.140 0.435 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -13.016 -1.991 -1.216 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.589 -0.282 3.143 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.640 -2.062 2.249 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -14.509 0.709 1.647 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -12.922 0.233 1.074 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -15.532 -1.164 0.512 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.614 -0.175 -0.605 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.648 0.363 4.141 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.602 0.830 5.023 1.00 0.13 C ATOM 1047 C HIS A 68 -10.811 -0.287 5.617 1.00 0.14 C ATOM 1048 O HIS A 68 -9.630 -0.194 5.725 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.190 1.581 6.173 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.144 2.307 6.910 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.415 3.339 6.511 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.677 1.959 8.147 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.516 3.614 7.485 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.687 2.768 8.459 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.517 0.891 4.220 1.00 0.14 H new ATOM 0 HA HIS A 68 -10.956 1.457 4.409 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -12.940 2.284 5.809 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.700 0.889 6.843 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.514 3.838 5.627 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.056 1.157 8.763 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.780 4.404 7.458 1.00 0.17 H new ATOM 1063 N THR A 69 -11.491 -1.297 6.048 1.00 0.15 N ATOM 1064 CA THR A 69 -10.863 -2.442 6.663 1.00 0.16 C ATOM 1065 C THR A 69 -9.905 -3.114 5.711 1.00 0.15 C ATOM 1066 O THR A 69 -8.720 -3.292 5.973 1.00 0.15 O ATOM 1067 CB THR A 69 -11.933 -3.453 6.989 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.859 -2.932 7.954 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.316 -4.745 7.458 1.00 0.21 C ATOM 0 H THR A 69 -12.507 -1.361 5.988 1.00 0.15 H new ATOM 0 HA THR A 69 -10.326 -2.102 7.549 1.00 0.16 H new ATOM 0 HB THR A 69 -12.495 -3.662 6.079 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.544 -3.606 8.147 1.00 0.22 H new ATOM 0 HG21 THR A 69 -12.104 -5.462 7.688 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.676 -5.149 6.673 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.721 -4.560 8.352 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.477 -3.434 4.591 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.854 -4.167 3.539 1.00 0.16 C ATOM 1079 C LEU A 70 -8.756 -3.333 3.012 1.00 0.13 C ATOM 1080 O LEU A 70 -7.630 -3.760 2.840 1.00 0.12 O ATOM 1081 CB LEU A 70 -10.953 -4.446 2.495 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.545 -4.718 1.045 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.363 -3.418 0.272 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.300 -5.586 0.997 1.00 0.21 C ATOM 0 H LEU A 70 -11.441 -3.176 4.378 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.424 -5.118 3.853 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.527 -5.305 2.842 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.629 -3.591 2.492 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.350 -5.268 0.557 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.073 -3.643 -0.755 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.300 -2.861 0.271 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.585 -2.819 0.746 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -9.024 -5.769 -0.041 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.481 -5.076 1.505 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.500 -6.536 1.493 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.112 -2.116 2.870 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.310 -1.148 2.246 1.00 0.09 C ATOM 1098 C ALA A 71 -7.296 -0.585 3.212 1.00 0.07 C ATOM 1099 O ALA A 71 -6.311 -0.032 2.804 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.220 -0.092 1.696 1.00 0.10 C ATOM 0 H ALA A 71 -10.007 -1.755 3.200 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.735 -1.588 1.432 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.627 0.678 1.203 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.904 -0.540 0.975 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.792 0.355 2.509 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.544 -0.726 4.498 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.569 -0.412 5.494 1.00 0.09 C ATOM 1108 C LYS A 72 -5.609 -1.531 5.498 1.00 0.10 C ATOM 1109 O LYS A 72 -4.423 -1.363 5.691 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.203 -0.312 6.851 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.225 0.110 7.898 1.00 0.14 C ATOM 1112 CD LYS A 72 -6.862 1.080 8.857 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.107 1.164 10.174 1.00 0.22 C ATOM 1114 NZ LYS A 72 -6.127 -0.125 10.913 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.432 -1.063 4.871 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.094 0.544 5.274 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.025 0.402 6.815 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.631 -1.277 7.123 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -5.866 -0.764 8.441 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.357 0.572 7.428 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -6.901 2.068 8.399 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -7.891 0.776 9.049 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -5.074 1.455 9.981 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -6.548 1.944 10.795 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -6.518 0.026 11.865 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -6.719 -0.810 10.400 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -5.158 -0.495 10.992 1.00 1.35 H new ATOM 1128 N SER A 73 -6.155 -2.692 5.253 1.00 0.10 N ATOM 1129 CA SER A 73 -5.345 -3.866 5.188 1.00 0.12 C ATOM 1130 C SER A 73 -4.585 -3.889 3.863 1.00 0.11 C ATOM 1131 O SER A 73 -3.615 -4.627 3.701 1.00 0.13 O ATOM 1132 CB SER A 73 -6.193 -5.130 5.379 1.00 0.16 C ATOM 1133 OG SER A 73 -5.395 -6.302 5.384 1.00 1.18 O ATOM 0 H SER A 73 -7.151 -2.844 5.097 1.00 0.10 H new ATOM 0 HA SER A 73 -4.619 -3.846 6.001 1.00 0.12 H new ATOM 0 HB2 SER A 73 -6.743 -5.061 6.317 1.00 0.16 H new ATOM 0 HB3 SER A 73 -6.932 -5.196 4.580 1.00 0.16 H new ATOM 0 HG SER A 73 -5.968 -7.087 5.509 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.047 -3.086 2.910 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.315 -2.839 1.696 1.00 0.08 C ATOM 1141 C LYS A 74 -3.341 -1.735 1.909 1.00 0.06 C ATOM 1142 O LYS A 74 -2.150 -1.868 1.674 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.270 -2.440 0.620 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.284 -3.497 0.378 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.297 -3.020 -0.583 1.00 0.12 C ATOM 1146 CE LYS A 74 -6.940 -3.527 -1.933 1.00 0.22 C ATOM 1147 NZ LYS A 74 -7.164 -4.991 -2.079 1.00 1.02 N1+ ATOM 0 H LYS A 74 -5.939 -2.594 2.968 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.781 -3.745 1.408 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.769 -1.512 0.900 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.721 -2.242 -0.301 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.800 -4.394 -0.008 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.764 -3.773 1.317 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.288 -3.372 -0.296 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.334 -1.931 -0.585 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -7.529 -2.998 -2.682 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -5.893 -3.303 -2.135 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -6.359 -5.417 -2.582 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.253 -5.424 -1.138 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -8.037 -5.156 -2.620 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.889 -0.645 2.366 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.147 0.536 2.656 1.00 0.04 C ATOM 1163 C TYR A 75 -1.969 0.225 3.547 1.00 0.05 C ATOM 1164 O TYR A 75 -0.847 0.511 3.195 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.037 1.544 3.361 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.213 2.544 4.123 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -2.992 2.392 5.480 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.604 3.601 3.464 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.184 3.273 6.167 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -1.801 4.493 4.134 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.591 4.325 5.493 1.00 0.08 C ATOM 1172 OH TYR A 75 -0.782 5.202 6.178 1.00 0.25 O ATOM 0 H TYR A 75 -4.888 -0.557 2.550 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.785 0.947 1.713 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.659 2.060 2.630 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.711 1.026 4.043 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.458 1.573 6.008 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.764 3.726 2.403 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.015 3.142 7.226 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.339 5.315 3.607 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.442 5.883 5.561 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.248 -0.385 4.690 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.256 -0.583 5.732 1.00 0.08 C ATOM 1184 C ASP A 76 -0.178 -1.464 5.188 1.00 0.09 C ATOM 1185 O ASP A 76 1.004 -1.321 5.468 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.858 -1.297 6.931 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.315 -0.795 8.252 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -1.893 0.157 8.816 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.316 -1.362 8.743 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.170 -0.756 4.919 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.878 0.392 6.041 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -2.940 -1.169 6.917 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.662 -2.366 6.847 1.00 0.13 H new ATOM 1194 N SER A 77 -0.655 -2.374 4.381 1.00 0.07 N ATOM 1195 CA SER A 77 0.141 -3.360 3.722 1.00 0.07 C ATOM 1196 C SER A 77 1.105 -2.655 2.805 1.00 0.06 C ATOM 1197 O SER A 77 2.324 -2.744 2.943 1.00 0.06 O ATOM 1198 CB SER A 77 -0.835 -4.236 2.934 1.00 0.08 C ATOM 1199 OG SER A 77 -0.204 -5.184 2.101 1.00 0.10 O ATOM 0 H SER A 77 -1.648 -2.447 4.160 1.00 0.07 H new ATOM 0 HA SER A 77 0.720 -3.972 4.414 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.487 -4.758 3.634 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.471 -3.596 2.323 1.00 0.08 H new ATOM 0 HG SER A 77 0.765 -5.149 2.241 1.00 0.10 H new ATOM 1205 N LEU A 78 0.512 -1.867 1.948 1.00 0.04 N ATOM 1206 CA LEU A 78 1.180 -1.160 0.901 1.00 0.04 C ATOM 1207 C LEU A 78 2.097 -0.109 1.507 1.00 0.04 C ATOM 1208 O LEU A 78 3.220 0.119 1.063 1.00 0.04 O ATOM 1209 CB LEU A 78 0.058 -0.546 0.083 1.00 0.03 C ATOM 1210 CG LEU A 78 0.438 0.132 -1.208 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.473 1.611 -0.961 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.775 -0.370 -1.698 1.00 0.04 C ATOM 0 H LEU A 78 -0.494 -1.697 1.966 1.00 0.04 H new ATOM 0 HA LEU A 78 1.814 -1.791 0.279 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.661 -1.332 -0.147 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.456 0.183 0.709 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.293 -0.095 -1.984 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.746 2.127 -1.881 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.510 1.949 -0.634 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.209 1.834 -0.188 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.032 0.131 -2.631 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.539 -0.159 -0.950 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.720 -1.445 -1.867 1.00 0.04 H new ATOM 1224 N ALA A 79 1.596 0.470 2.568 1.00 0.04 N ATOM 1225 CA ALA A 79 2.268 1.499 3.321 1.00 0.04 C ATOM 1226 C ALA A 79 3.485 0.944 3.975 1.00 0.05 C ATOM 1227 O ALA A 79 4.500 1.606 4.068 1.00 0.07 O ATOM 1228 CB ALA A 79 1.304 2.061 4.357 1.00 0.05 C ATOM 0 H ALA A 79 0.679 0.230 2.944 1.00 0.04 H new ATOM 0 HA ALA A 79 2.583 2.301 2.654 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.803 2.841 4.933 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.434 2.482 3.854 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.985 1.263 5.027 1.00 0.05 H new ATOM 1234 N THR A 80 3.386 -0.284 4.381 1.00 0.05 N ATOM 1235 CA THR A 80 4.476 -0.954 5.018 1.00 0.05 C ATOM 1236 C THR A 80 5.507 -1.383 3.999 1.00 0.05 C ATOM 1237 O THR A 80 6.694 -1.333 4.258 1.00 0.05 O ATOM 1238 CB THR A 80 3.959 -2.175 5.740 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.120 -1.775 6.835 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.104 -3.031 6.244 1.00 0.07 C ATOM 0 H THR A 80 2.544 -0.851 4.279 1.00 0.05 H new ATOM 0 HA THR A 80 4.942 -0.267 5.725 1.00 0.05 H new ATOM 0 HB THR A 80 3.374 -2.770 5.038 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.291 -1.385 6.487 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.706 -3.904 6.760 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.714 -3.355 5.401 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.717 -2.450 6.933 1.00 0.07 H new ATOM 1248 N GLN A 81 5.039 -1.795 2.836 1.00 0.05 N ATOM 1249 CA GLN A 81 5.874 -2.247 1.795 1.00 0.05 C ATOM 1250 C GLN A 81 6.690 -1.124 1.304 1.00 0.05 C ATOM 1251 O GLN A 81 7.879 -1.272 1.051 1.00 0.05 O ATOM 1252 CB GLN A 81 4.993 -2.816 0.716 1.00 0.05 C ATOM 1253 CG GLN A 81 4.356 -4.059 1.236 1.00 0.05 C ATOM 1254 CD GLN A 81 3.122 -4.481 0.536 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.243 -5.009 1.337 1.00 0.09 O flip ATOM 1256 NE2 GLN A 81 2.954 -4.313 -0.662 1.00 0.07 N flip ATOM 0 H GLN A 81 4.045 -1.816 2.607 1.00 0.05 H new ATOM 0 HA GLN A 81 6.560 -3.022 2.138 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.231 -2.092 0.427 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.579 -3.035 -0.176 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.082 -4.870 1.178 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.123 -3.914 2.291 1.00 0.05 H new ATOM 0 HE21 GLN A 81 3.692 -3.891 -1.226 1.00 0.07 H new ATOM 0 HE22 GLN A 81 2.076 -4.594 -1.098 1.00 0.07 H new ATOM 1265 N ILE A 82 6.067 0.022 1.211 1.00 0.04 N ATOM 1266 CA ILE A 82 6.821 1.159 0.855 1.00 0.04 C ATOM 1267 C ILE A 82 7.648 1.618 2.052 1.00 0.05 C ATOM 1268 O ILE A 82 8.824 1.836 1.903 1.00 0.05 O ATOM 1269 CB ILE A 82 5.995 2.342 0.286 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.248 3.095 1.348 1.00 0.05 C ATOM 1271 CG2 ILE A 82 5.013 1.921 -0.777 1.00 0.05 C ATOM 1272 CD1 ILE A 82 5.989 4.320 1.781 1.00 0.06 C ATOM 0 H ILE A 82 5.072 0.176 1.374 1.00 0.04 H new ATOM 0 HA ILE A 82 7.465 0.844 0.034 1.00 0.04 H new ATOM 0 HB ILE A 82 6.743 2.997 -0.161 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.265 3.378 0.971 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.084 2.446 2.208 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.467 2.794 -1.134 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.550 1.464 -1.608 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.311 1.200 -0.359 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.417 4.838 2.550 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.961 4.034 2.182 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.130 4.981 0.926 1.00 0.06 H new ATOM 1284 N LYS A 83 7.027 1.754 3.238 1.00 0.05 N ATOM 1285 CA LYS A 83 7.733 2.150 4.462 1.00 0.05 C ATOM 1286 C LYS A 83 8.955 1.309 4.724 1.00 0.05 C ATOM 1287 O LYS A 83 9.930 1.775 5.287 1.00 0.06 O ATOM 1288 CB LYS A 83 6.797 2.040 5.652 1.00 0.06 C ATOM 1289 CG LYS A 83 6.474 3.376 6.257 1.00 0.10 C ATOM 1290 CD LYS A 83 5.794 4.250 5.239 1.00 0.12 C ATOM 1291 CE LYS A 83 5.943 5.688 5.608 1.00 0.20 C ATOM 1292 NZ LYS A 83 5.206 6.600 4.698 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.029 1.593 3.371 1.00 0.05 H new ATOM 0 HA LYS A 83 8.061 3.180 4.320 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.873 1.554 5.339 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.252 1.402 6.410 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.828 3.245 7.125 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.387 3.856 6.609 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.225 4.074 4.253 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.737 3.991 5.176 1.00 0.12 H new ATOM 0 HE2 LYS A 83 5.586 5.835 6.627 1.00 0.20 H new ATOM 0 HE3 LYS A 83 7.001 5.952 5.599 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 5.529 7.577 4.849 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 5.385 6.325 3.711 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 4.187 6.538 4.895 1.00 0.95 H new ATOM 1306 N ALA A 84 8.865 0.070 4.341 1.00 0.05 N ATOM 1307 CA ALA A 84 9.961 -0.845 4.387 1.00 0.05 C ATOM 1308 C ALA A 84 11.021 -0.416 3.450 1.00 0.04 C ATOM 1309 O ALA A 84 12.196 -0.336 3.793 1.00 0.05 O ATOM 1310 CB ALA A 84 9.455 -2.154 3.924 1.00 0.05 C ATOM 0 H ALA A 84 8.004 -0.340 3.979 1.00 0.05 H new ATOM 0 HA ALA A 84 10.366 -0.891 5.398 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.264 -2.884 3.944 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.650 -2.486 4.580 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.077 -2.059 2.906 1.00 0.05 H new ATOM 1316 N ILE A 85 10.580 -0.153 2.251 1.00 0.04 N ATOM 1317 CA ILE A 85 11.448 0.289 1.237 1.00 0.04 C ATOM 1318 C ILE A 85 12.098 1.545 1.698 1.00 0.04 C ATOM 1319 O ILE A 85 13.297 1.698 1.618 1.00 0.05 O ATOM 1320 CB ILE A 85 10.683 0.530 -0.061 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.276 -0.809 -0.633 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.508 1.359 -1.022 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.317 -0.720 -1.784 1.00 0.04 C ATOM 0 H ILE A 85 9.605 -0.244 1.966 1.00 0.04 H new ATOM 0 HA ILE A 85 12.202 -0.472 1.037 1.00 0.04 H new ATOM 0 HB ILE A 85 9.778 1.107 0.128 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.171 -1.339 -0.960 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.823 -1.407 0.158 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.944 1.519 -1.941 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.740 2.322 -0.566 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.435 0.834 -1.252 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.076 -1.723 -2.135 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.404 -0.220 -1.459 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.773 -0.152 -2.595 1.00 0.04 H new ATOM 1335 N GLN A 86 11.276 2.393 2.266 1.00 0.04 N ATOM 1336 CA GLN A 86 11.705 3.626 2.790 1.00 0.05 C ATOM 1337 C GLN A 86 12.720 3.358 3.832 1.00 0.05 C ATOM 1338 O GLN A 86 13.798 3.853 3.749 1.00 0.07 O ATOM 1339 CB GLN A 86 10.544 4.362 3.406 1.00 0.06 C ATOM 1340 CG GLN A 86 9.402 4.503 2.451 1.00 0.06 C ATOM 1341 CD GLN A 86 8.945 5.918 2.275 1.00 0.07 C ATOM 1342 OE1 GLN A 86 8.079 6.411 2.995 1.00 0.09 O ATOM 1343 NE2 GLN A 86 9.529 6.574 1.305 1.00 0.08 N ATOM 0 H GLN A 86 10.275 2.224 2.369 1.00 0.04 H new ATOM 0 HA GLN A 86 12.124 4.239 1.992 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.209 3.830 4.297 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.871 5.350 3.729 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.697 4.101 1.482 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.566 3.900 2.805 1.00 0.06 H new ATOM 0 HE21 GLN A 86 10.242 6.117 0.737 1.00 0.08 H new ATOM 0 HE22 GLN A 86 9.271 7.543 1.117 1.00 0.08 H new ATOM 1352 N ASP A 87 12.352 2.497 4.761 1.00 0.05 N ATOM 1353 CA ASP A 87 13.196 2.150 5.897 1.00 0.06 C ATOM 1354 C ASP A 87 14.577 1.828 5.437 1.00 0.06 C ATOM 1355 O ASP A 87 15.549 2.424 5.866 1.00 0.08 O ATOM 1356 CB ASP A 87 12.679 0.912 6.629 1.00 0.08 C ATOM 1357 CG ASP A 87 12.699 1.091 8.135 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.839 1.829 8.663 1.00 0.40 O ATOM 1359 OD2 ASP A 87 13.579 0.506 8.802 1.00 0.39 O1- ATOM 0 H ASP A 87 11.454 2.013 4.752 1.00 0.05 H new ATOM 0 HA ASP A 87 13.186 3.012 6.564 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.661 0.697 6.303 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.289 0.050 6.358 1.00 0.08 H new ATOM 1364 N VAL A 88 14.654 0.892 4.543 1.00 0.04 N ATOM 1365 CA VAL A 88 15.925 0.395 4.129 1.00 0.04 C ATOM 1366 C VAL A 88 16.595 1.385 3.162 1.00 0.04 C ATOM 1367 O VAL A 88 17.776 1.652 3.298 1.00 0.05 O ATOM 1368 CB VAL A 88 15.802 -1.020 3.550 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.761 -1.823 4.314 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.467 -0.974 2.095 1.00 0.04 C ATOM 0 H VAL A 88 13.851 0.458 4.087 1.00 0.04 H new ATOM 0 HA VAL A 88 16.576 0.310 4.999 1.00 0.04 H new ATOM 0 HB VAL A 88 16.767 -1.515 3.660 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.689 -2.824 3.888 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.054 -1.895 5.361 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.793 -1.327 4.241 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.385 -1.990 1.708 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.518 -0.456 1.956 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.253 -0.443 1.557 1.00 0.04 H new ATOM 1380 N ASN A 89 15.818 1.982 2.241 1.00 0.05 N ATOM 1381 CA ASN A 89 16.289 3.059 1.368 1.00 0.06 C ATOM 1382 C ASN A 89 16.790 4.208 2.199 1.00 0.07 C ATOM 1383 O ASN A 89 17.685 4.954 1.807 1.00 0.09 O ATOM 1384 CB ASN A 89 15.126 3.563 0.527 1.00 0.06 C ATOM 1385 CG ASN A 89 14.769 2.641 -0.606 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.221 1.507 -0.661 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.905 3.111 -1.485 1.00 0.08 N ATOM 0 H ASN A 89 14.843 1.726 2.085 1.00 0.05 H new ATOM 0 HA ASN A 89 17.089 2.677 0.735 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.254 3.695 1.167 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.377 4.544 0.123 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.586 2.520 -2.253 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.556 4.065 -1.397 1.00 0.08 H new ATOM 1394 N ALA A 90 16.186 4.315 3.359 1.00 0.07 N ATOM 1395 CA ALA A 90 16.441 5.386 4.294 1.00 0.08 C ATOM 1396 C ALA A 90 17.771 5.171 4.964 1.00 0.09 C ATOM 1397 O ALA A 90 18.286 6.033 5.669 1.00 0.12 O ATOM 1398 CB ALA A 90 15.332 5.416 5.319 1.00 0.09 C ATOM 0 H ALA A 90 15.489 3.646 3.686 1.00 0.07 H new ATOM 0 HA ALA A 90 16.471 6.340 3.768 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.515 6.222 6.030 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.378 5.584 4.818 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.301 4.464 5.849 1.00 0.09 H new ATOM 1404 N GLN A 91 18.300 3.988 4.748 1.00 0.07 N ATOM 1405 CA GLN A 91 19.571 3.605 5.290 1.00 0.08 C ATOM 1406 C GLN A 91 20.652 3.910 4.291 1.00 0.08 C ATOM 1407 O GLN A 91 21.810 3.963 4.631 1.00 0.10 O ATOM 1408 CB GLN A 91 19.558 2.128 5.657 1.00 0.07 C ATOM 1409 CG GLN A 91 18.458 1.732 6.626 1.00 0.08 C ATOM 1410 CD GLN A 91 18.176 2.762 7.704 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.812 2.810 8.743 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.183 3.560 7.463 1.00 0.14 N ATOM 0 H GLN A 91 17.852 3.264 4.186 1.00 0.07 H new ATOM 0 HA GLN A 91 19.770 4.173 6.199 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.451 1.540 4.745 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.522 1.866 6.094 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.542 1.551 6.064 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.731 0.790 7.102 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.674 3.490 6.582 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.910 4.258 8.155 1.00 0.14 H new ATOM 1421 N PHE A 92 20.256 4.121 3.060 1.00 0.08 N ATOM 1422 CA PHE A 92 21.191 4.537 2.026 1.00 0.09 C ATOM 1423 C PHE A 92 21.117 6.013 1.779 1.00 0.11 C ATOM 1424 O PHE A 92 20.128 6.678 2.081 1.00 0.12 O ATOM 1425 CB PHE A 92 20.937 3.820 0.703 1.00 0.09 C ATOM 1426 CG PHE A 92 20.832 2.357 0.836 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.900 1.540 0.559 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.662 1.804 1.270 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.796 0.193 0.723 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.546 0.460 1.431 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.616 -0.349 1.162 1.00 0.06 C ATOM 0 H PHE A 92 19.293 4.013 2.742 1.00 0.08 H new ATOM 0 HA PHE A 92 22.181 4.272 2.396 1.00 0.09 H new ATOM 0 HB2 PHE A 92 20.017 4.203 0.262 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.745 4.056 0.010 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.828 1.969 0.209 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.819 2.442 1.488 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.640 -0.446 0.508 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.614 0.032 1.770 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.531 -1.417 1.296 1.00 0.06 H new ATOM 1441 N GLU A 93 22.199 6.503 1.215 1.00 0.12 N ATOM 1442 CA GLU A 93 22.311 7.874 0.825 1.00 0.14 C ATOM 1443 C GLU A 93 21.315 8.158 -0.292 1.00 0.14 C ATOM 1444 O GLU A 93 20.882 9.291 -0.503 1.00 0.16 O ATOM 1445 CB GLU A 93 23.730 8.156 0.365 1.00 0.16 C ATOM 1446 CG GLU A 93 24.788 7.723 1.377 1.00 0.17 C ATOM 1447 CD GLU A 93 26.096 8.463 1.211 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.344 9.424 1.968 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.882 8.090 0.319 1.00 0.37 O1- ATOM 0 H GLU A 93 23.030 5.947 1.016 1.00 0.12 H new ATOM 0 HA GLU A 93 22.087 8.524 1.671 1.00 0.14 H new ATOM 0 HB2 GLU A 93 23.908 7.642 -0.579 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.837 9.223 0.172 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.408 7.888 2.385 1.00 0.17 H new ATOM 0 HG3 GLU A 93 24.966 6.653 1.274 1.00 0.17 H new ATOM 1456 N LYS A 94 20.973 7.091 -1.006 1.00 0.13 N ATOM 1457 CA LYS A 94 19.946 7.108 -2.031 1.00 0.14 C ATOM 1458 C LYS A 94 19.188 5.803 -1.946 1.00 0.12 C ATOM 1459 O LYS A 94 19.780 4.762 -1.690 1.00 0.12 O ATOM 1460 CB LYS A 94 20.502 7.249 -3.452 1.00 0.21 C ATOM 1461 CG LYS A 94 21.985 7.579 -3.554 1.00 0.75 C ATOM 1462 CD LYS A 94 22.263 9.072 -3.439 1.00 1.25 C ATOM 1463 CE LYS A 94 21.942 9.832 -4.727 1.00 2.08 C ATOM 1464 NZ LYS A 94 20.480 9.952 -4.994 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.411 6.178 -0.884 1.00 0.13 H new ATOM 0 HA LYS A 94 19.314 7.977 -1.848 1.00 0.14 H new ATOM 0 HB2 LYS A 94 20.319 6.317 -3.988 1.00 0.21 H new ATOM 0 HB3 LYS A 94 19.940 8.028 -3.966 1.00 0.21 H new ATOM 0 HG2 LYS A 94 22.526 7.051 -2.768 1.00 0.75 H new ATOM 0 HG3 LYS A 94 22.370 7.214 -4.506 1.00 0.75 H new ATOM 0 HD2 LYS A 94 21.673 9.486 -2.621 1.00 1.25 H new ATOM 0 HD3 LYS A 94 23.312 9.224 -3.184 1.00 1.25 H new ATOM 0 HE2 LYS A 94 22.377 10.830 -4.669 1.00 2.08 H new ATOM 0 HE3 LYS A 94 22.417 9.326 -5.567 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 20.285 10.862 -5.458 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 20.176 9.175 -5.615 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 19.958 9.903 -4.096 1.00 2.94 H new ATOM 1478 N PRO A 95 17.882 5.854 -2.173 1.00 0.11 N ATOM 1479 CA PRO A 95 16.991 4.703 -2.060 1.00 0.09 C ATOM 1480 C PRO A 95 17.495 3.515 -2.800 1.00 0.08 C ATOM 1481 O PRO A 95 17.949 3.641 -3.938 1.00 0.10 O ATOM 1482 CB PRO A 95 15.716 5.194 -2.724 1.00 0.11 C ATOM 1483 CG PRO A 95 15.728 6.645 -2.474 1.00 0.13 C ATOM 1484 CD PRO A 95 17.168 7.044 -2.623 1.00 0.14 C ATOM 0 HA PRO A 95 16.879 4.383 -1.024 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.709 4.972 -3.791 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.833 4.721 -2.294 1.00 0.11 H new ATOM 0 HG2 PRO A 95 15.094 7.175 -3.185 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.353 6.879 -1.477 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.413 7.297 -3.655 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.411 7.915 -2.015 1.00 0.14 H new ATOM 1492 N ALA A 96 17.404 2.348 -2.196 1.00 0.06 N ATOM 1493 CA ALA A 96 17.763 1.215 -2.952 1.00 0.06 C ATOM 1494 C ALA A 96 16.714 0.143 -2.862 1.00 0.05 C ATOM 1495 O ALA A 96 16.993 -1.010 -2.564 1.00 0.05 O ATOM 1496 CB ALA A 96 19.051 0.696 -2.376 1.00 0.05 C ATOM 0 H ALA A 96 17.100 2.183 -1.236 1.00 0.06 H new ATOM 0 HA ALA A 96 17.866 1.488 -4.002 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.369 -0.186 -2.932 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.818 1.467 -2.448 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.901 0.430 -1.330 1.00 0.05 H new ATOM 1502 N ILE A 97 15.518 0.550 -3.183 1.00 0.06 N ATOM 1503 CA ILE A 97 14.487 -0.242 -3.772 1.00 0.07 C ATOM 1504 C ILE A 97 13.725 0.698 -4.617 1.00 0.08 C ATOM 1505 O ILE A 97 12.935 1.457 -4.090 1.00 0.10 O ATOM 1506 CB ILE A 97 13.558 -0.870 -2.758 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.218 -2.062 -2.137 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.213 -1.235 -3.370 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.727 -1.763 -0.768 1.00 0.05 C ATOM 0 H ILE A 97 15.222 1.514 -3.027 1.00 0.06 H new ATOM 0 HA ILE A 97 14.926 -1.076 -4.320 1.00 0.07 H new ATOM 0 HB ILE A 97 13.355 -0.135 -1.979 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.507 -2.887 -2.088 1.00 0.06 H new ATOM 0 HG13 ILE A 97 15.044 -2.390 -2.768 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.576 -1.683 -2.608 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.735 -0.336 -3.760 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.364 -1.947 -4.181 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.199 -2.654 -0.353 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.458 -0.956 -0.820 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.897 -1.460 -0.129 1.00 0.05 H new ATOM 1521 N VAL A 98 13.970 0.724 -5.863 1.00 0.09 N ATOM 1522 CA VAL A 98 13.313 1.698 -6.681 1.00 0.10 C ATOM 1523 C VAL A 98 12.760 1.050 -7.919 1.00 0.10 C ATOM 1524 O VAL A 98 13.500 0.566 -8.775 1.00 0.14 O ATOM 1525 CB VAL A 98 14.227 2.885 -6.991 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.501 3.652 -5.695 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.512 2.418 -7.640 1.00 0.11 C ATOM 0 H VAL A 98 14.610 0.097 -6.351 1.00 0.09 H new ATOM 0 HA VAL A 98 12.471 2.109 -6.124 1.00 0.10 H new ATOM 0 HB VAL A 98 13.735 3.551 -7.700 1.00 0.10 H new ATOM 0 HG11 VAL A 98 15.152 4.501 -5.905 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.560 4.011 -5.279 1.00 0.10 H new ATOM 0 HG13 VAL A 98 14.987 2.991 -4.977 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.146 3.279 -7.852 1.00 0.11 H new ATOM 0 HG22 VAL A 98 16.034 1.739 -6.966 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.282 1.899 -8.571 1.00 0.11 H new ATOM 1537 N ASP A 99 11.439 1.019 -7.957 1.00 0.09 N ATOM 1538 CA ASP A 99 10.685 0.261 -8.958 1.00 0.11 C ATOM 1539 C ASP A 99 10.720 -1.219 -8.602 1.00 0.09 C ATOM 1540 O ASP A 99 10.873 -2.086 -9.461 1.00 0.11 O ATOM 1541 CB ASP A 99 11.230 0.480 -10.373 1.00 0.14 C ATOM 1542 CG ASP A 99 10.315 -0.047 -11.470 1.00 0.31 C ATOM 1543 OD1 ASP A 99 10.760 -0.896 -12.274 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.155 0.398 -11.548 1.00 0.52 O1- ATOM 0 H ASP A 99 10.849 1.520 -7.293 1.00 0.09 H new ATOM 0 HA ASP A 99 9.656 0.620 -8.951 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.393 1.546 -10.529 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.202 -0.006 -10.458 1.00 0.14 H new ATOM 1549 N GLY A 100 10.580 -1.499 -7.309 1.00 0.07 N ATOM 1550 CA GLY A 100 10.576 -2.865 -6.832 1.00 0.08 C ATOM 1551 C GLY A 100 11.905 -3.548 -7.000 1.00 0.08 C ATOM 1552 O GLY A 100 12.029 -4.744 -6.752 1.00 0.10 O ATOM 0 H GLY A 100 10.468 -0.795 -6.580 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.299 -2.875 -5.778 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.813 -3.429 -7.368 1.00 0.08 H new ATOM 1556 N VAL A 101 12.888 -2.801 -7.450 1.00 0.08 N ATOM 1557 CA VAL A 101 14.205 -3.326 -7.621 1.00 0.09 C ATOM 1558 C VAL A 101 15.204 -2.431 -6.956 1.00 0.08 C ATOM 1559 O VAL A 101 15.165 -1.211 -7.061 1.00 0.09 O ATOM 1560 CB VAL A 101 14.556 -3.527 -9.100 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.496 -2.209 -9.866 1.00 0.12 C ATOM 1562 CG2 VAL A 101 15.925 -4.182 -9.234 1.00 0.15 C ATOM 0 H VAL A 101 12.788 -1.818 -7.704 1.00 0.08 H new ATOM 0 HA VAL A 101 14.236 -4.308 -7.149 1.00 0.09 H new ATOM 0 HB VAL A 101 13.814 -4.192 -9.541 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.750 -2.384 -10.912 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.489 -1.796 -9.801 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.206 -1.504 -9.433 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.161 -4.319 -10.289 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.680 -3.545 -8.773 1.00 0.15 H new ATOM 0 HG23 VAL A 101 15.915 -5.152 -8.736 1.00 0.15 H new ATOM 1572 N LEU A 102 16.090 -3.074 -6.280 1.00 0.07 N ATOM 1573 CA LEU A 102 17.095 -2.437 -5.506 1.00 0.07 C ATOM 1574 C LEU A 102 18.082 -1.692 -6.383 1.00 0.09 C ATOM 1575 O LEU A 102 18.297 -2.021 -7.550 1.00 0.11 O ATOM 1576 CB LEU A 102 17.799 -3.525 -4.732 1.00 0.07 C ATOM 1577 CG LEU A 102 19.293 -3.317 -4.513 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.525 -2.330 -3.391 1.00 0.06 C ATOM 1579 CD2 LEU A 102 20.005 -4.622 -4.226 1.00 0.07 C ATOM 0 H LEU A 102 16.136 -4.093 -6.250 1.00 0.07 H new ATOM 0 HA LEU A 102 16.649 -1.698 -4.840 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.318 -3.623 -3.759 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.655 -4.470 -5.256 1.00 0.07 H new ATOM 0 HG LEU A 102 19.710 -2.912 -5.435 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.596 -2.190 -3.245 1.00 0.06 H new ATOM 0 HD12 LEU A 102 19.066 -1.375 -3.646 1.00 0.06 H new ATOM 0 HD13 LEU A 102 19.080 -2.712 -2.472 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.068 -4.431 -4.076 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.587 -5.074 -3.327 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.874 -5.301 -5.069 1.00 0.07 H new ATOM 1591 N ASP A 103 18.679 -0.698 -5.783 1.00 0.09 N ATOM 1592 CA ASP A 103 19.718 0.075 -6.403 1.00 0.11 C ATOM 1593 C ASP A 103 21.015 -0.258 -5.724 1.00 0.11 C ATOM 1594 O ASP A 103 21.338 0.310 -4.704 1.00 0.10 O ATOM 1595 CB ASP A 103 19.473 1.556 -6.228 1.00 0.13 C ATOM 1596 CG ASP A 103 19.629 2.317 -7.527 1.00 0.20 C ATOM 1597 OD1 ASP A 103 18.674 2.333 -8.332 1.00 0.46 O ATOM 1598 OD2 ASP A 103 20.711 2.892 -7.758 1.00 0.48 O1- ATOM 0 H ASP A 103 18.453 -0.399 -4.835 1.00 0.09 H new ATOM 0 HA ASP A 103 19.741 -0.159 -7.467 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.468 1.713 -5.835 1.00 0.13 H new ATOM 0 HB3 ASP A 103 20.170 1.953 -5.490 1.00 0.13 H new ATOM 1603 N THR A 104 21.745 -1.169 -6.299 1.00 0.12 N ATOM 1604 CA THR A 104 23.021 -1.623 -5.754 1.00 0.14 C ATOM 1605 C THR A 104 24.029 -0.508 -5.816 1.00 0.16 C ATOM 1606 O THR A 104 25.096 -0.540 -5.200 1.00 0.19 O ATOM 1607 CB THR A 104 23.527 -2.823 -6.541 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.323 -2.399 -7.656 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.336 -3.588 -7.054 1.00 0.16 C ATOM 0 H THR A 104 21.481 -1.631 -7.169 1.00 0.12 H new ATOM 0 HA THR A 104 22.878 -1.917 -4.714 1.00 0.14 H new ATOM 0 HB THR A 104 24.142 -3.446 -5.891 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.641 -3.184 -8.149 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.677 -4.454 -7.622 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.728 -3.922 -6.213 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.739 -2.943 -7.699 1.00 0.16 H new ATOM 1617 N ASN A 105 23.634 0.484 -6.567 1.00 0.16 N ATOM 1618 CA ASN A 105 24.403 1.685 -6.764 1.00 0.20 C ATOM 1619 C ASN A 105 24.298 2.562 -5.546 1.00 0.19 C ATOM 1620 O ASN A 105 25.030 3.540 -5.375 1.00 0.26 O ATOM 1621 CB ASN A 105 23.837 2.430 -7.945 1.00 0.26 C ATOM 1622 CG ASN A 105 24.877 3.109 -8.792 1.00 0.37 C ATOM 1623 OD1 ASN A 105 25.942 3.510 -8.323 1.00 0.70 O ATOM 1624 ND2 ASN A 105 24.548 3.244 -10.053 1.00 0.90 N ATOM 0 H ASN A 105 22.747 0.480 -7.071 1.00 0.16 H new ATOM 0 HA ASN A 105 25.447 1.426 -6.937 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.275 1.733 -8.566 1.00 0.26 H new ATOM 0 HB3 ASN A 105 23.130 3.178 -7.586 1.00 0.26 H new ATOM 0 HD21 ASN A 105 25.189 3.701 -10.701 1.00 0.90 H new ATOM 0 HD22 ASN A 105 23.651 2.892 -10.386 1.00 0.90 H new ATOM 1631 N ALA A 106 23.361 2.187 -4.716 1.00 0.14 N ATOM 1632 CA ALA A 106 23.037 2.951 -3.520 1.00 0.13 C ATOM 1633 C ALA A 106 24.134 2.864 -2.498 1.00 0.14 C ATOM 1634 O ALA A 106 25.112 2.127 -2.646 1.00 0.20 O ATOM 1635 CB ALA A 106 21.718 2.503 -2.921 1.00 0.10 C ATOM 0 H ALA A 106 22.797 1.347 -4.841 1.00 0.14 H new ATOM 0 HA ALA A 106 22.938 3.994 -3.822 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.504 3.093 -2.029 1.00 0.10 H new ATOM 0 HB2 ALA A 106 20.920 2.645 -3.650 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.780 1.448 -2.652 1.00 0.10 H new ATOM 1641 N LYS A 107 23.947 3.625 -1.455 1.00 0.13 N ATOM 1642 CA LYS A 107 24.982 3.858 -0.489 1.00 0.14 C ATOM 1643 C LYS A 107 24.475 3.703 0.911 1.00 0.12 C ATOM 1644 O LYS A 107 23.943 4.644 1.472 1.00 0.12 O ATOM 1645 CB LYS A 107 25.507 5.262 -0.650 1.00 0.17 C ATOM 1646 CG LYS A 107 26.656 5.375 -1.605 1.00 0.25 C ATOM 1647 CD LYS A 107 27.822 4.538 -1.130 1.00 0.80 C ATOM 1648 CE LYS A 107 28.350 5.090 0.175 1.00 1.20 C ATOM 1649 NZ LYS A 107 28.947 6.446 0.010 1.00 1.99 N1+ ATOM 0 H LYS A 107 23.069 4.102 -1.251 1.00 0.13 H new ATOM 0 HA LYS A 107 25.768 3.123 -0.660 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.697 5.905 -0.994 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.819 5.637 0.325 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.346 5.047 -2.597 1.00 0.25 H new ATOM 0 HG3 LYS A 107 26.961 6.418 -1.694 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.508 3.503 -0.997 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.612 4.538 -1.881 1.00 0.80 H new ATOM 0 HE2 LYS A 107 27.540 5.137 0.902 1.00 1.20 H new ATOM 0 HE3 LYS A 107 29.101 4.410 0.578 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.473 6.701 0.870 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.594 6.444 -0.804 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 28.190 7.141 -0.152 1.00 1.99 H new ATOM 1663 N ALA A 108 24.660 2.543 1.484 1.00 0.11 N ATOM 1664 CA ALA A 108 24.184 2.308 2.827 1.00 0.10 C ATOM 1665 C ALA A 108 24.936 3.213 3.788 1.00 0.11 C ATOM 1666 O ALA A 108 26.106 2.983 4.099 1.00 0.13 O ATOM 1667 CB ALA A 108 24.325 0.843 3.195 1.00 0.10 C ATOM 0 H ALA A 108 25.132 1.751 1.049 1.00 0.11 H new ATOM 0 HA ALA A 108 23.123 2.548 2.890 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.961 0.686 4.210 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.741 0.236 2.503 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.374 0.553 3.137 1.00 0.10 H new ATOM 1673 N LYS A 109 24.255 4.286 4.173 1.00 0.11 N ATOM 1674 CA LYS A 109 24.768 5.300 5.076 1.00 0.13 C ATOM 1675 C LYS A 109 25.468 4.712 6.297 1.00 0.15 C ATOM 1676 O LYS A 109 25.237 3.565 6.679 1.00 0.14 O ATOM 1677 CB LYS A 109 23.612 6.173 5.545 1.00 0.14 C ATOM 1678 CG LYS A 109 23.267 7.246 4.545 1.00 0.15 C ATOM 1679 CD LYS A 109 22.163 8.160 5.037 1.00 0.17 C ATOM 1680 CE LYS A 109 20.821 7.475 4.951 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.727 8.310 5.510 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.305 4.477 3.855 1.00 0.11 H new ATOM 0 HA LYS A 109 25.509 5.879 4.525 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.736 5.549 5.722 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.871 6.636 6.497 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.157 7.838 4.330 1.00 0.15 H new ATOM 0 HG3 LYS A 109 22.960 6.781 3.608 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.361 8.454 6.068 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.149 9.073 4.442 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.601 7.241 3.909 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.864 6.528 5.489 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 18.885 7.720 5.665 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 20.033 8.722 6.415 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.497 9.073 4.842 1.00 0.26 H new ATOM 1695 N SER A 110 26.285 5.537 6.938 1.00 0.19 N ATOM 1696 CA SER A 110 26.971 5.161 8.170 1.00 0.22 C ATOM 1697 C SER A 110 25.989 5.054 9.323 1.00 0.23 C ATOM 1698 O SER A 110 26.363 4.767 10.460 1.00 0.26 O ATOM 1699 CB SER A 110 28.046 6.185 8.506 1.00 0.27 C ATOM 1700 OG SER A 110 28.941 6.364 7.418 1.00 0.29 O ATOM 0 H SER A 110 26.492 6.484 6.621 1.00 0.19 H new ATOM 0 HA SER A 110 27.436 4.187 8.016 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.579 7.137 8.757 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.600 5.859 9.387 1.00 0.27 H new ATOM 0 HG SER A 110 29.620 7.028 7.659 1.00 0.29 H new ATOM 1706 N ASP A 111 24.737 5.293 9.011 1.00 0.21 N ATOM 1707 CA ASP A 111 23.689 5.309 9.994 1.00 0.23 C ATOM 1708 C ASP A 111 22.689 4.214 9.672 1.00 0.19 C ATOM 1709 O ASP A 111 21.863 3.850 10.511 1.00 0.21 O ATOM 1710 CB ASP A 111 23.021 6.681 9.998 1.00 0.28 C ATOM 1711 CG ASP A 111 22.006 6.842 11.114 1.00 0.77 C ATOM 1712 OD1 ASP A 111 20.805 6.569 10.883 1.00 1.51 O ATOM 1713 OD2 ASP A 111 22.399 7.260 12.221 1.00 0.70 O1- ATOM 0 H ASP A 111 24.419 5.483 8.061 1.00 0.21 H new ATOM 0 HA ASP A 111 24.097 5.124 10.988 1.00 0.23 H new ATOM 0 HB2 ASP A 111 23.786 7.451 10.096 1.00 0.28 H new ATOM 0 HB3 ASP A 111 22.528 6.842 9.039 1.00 0.28 H new ATOM 1718 N ALA A 112 22.767 3.707 8.430 1.00 0.14 N ATOM 1719 CA ALA A 112 21.978 2.565 8.000 1.00 0.11 C ATOM 1720 C ALA A 112 21.885 1.499 9.073 1.00 0.12 C ATOM 1721 O ALA A 112 22.877 0.909 9.510 1.00 0.15 O ATOM 1722 CB ALA A 112 22.546 1.960 6.732 1.00 0.10 C ATOM 0 H ALA A 112 23.380 4.083 7.706 1.00 0.14 H new ATOM 0 HA ALA A 112 20.972 2.937 7.804 1.00 0.11 H new ATOM 0 HB1 ALA A 112 21.937 1.107 6.431 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.541 2.707 5.938 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.569 1.630 6.913 1.00 0.10 H new ATOM 1728 N LYS A 113 20.667 1.291 9.471 1.00 0.11 N ATOM 1729 CA LYS A 113 20.291 0.345 10.479 1.00 0.13 C ATOM 1730 C LYS A 113 19.091 -0.431 9.982 1.00 0.12 C ATOM 1731 O LYS A 113 17.959 0.052 10.014 1.00 0.13 O ATOM 1732 CB LYS A 113 19.933 1.095 11.737 1.00 0.15 C ATOM 1733 CG LYS A 113 20.343 0.384 13.011 1.00 0.24 C ATOM 1734 CD LYS A 113 19.883 1.144 14.247 1.00 0.34 C ATOM 1735 CE LYS A 113 18.364 1.235 14.317 1.00 1.46 C ATOM 1736 NZ LYS A 113 17.904 2.051 15.471 1.00 2.22 N1+ ATOM 0 H LYS A 113 19.871 1.799 9.085 1.00 0.11 H new ATOM 0 HA LYS A 113 21.110 -0.343 10.690 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.407 2.076 11.711 1.00 0.15 H new ATOM 0 HB3 LYS A 113 18.856 1.262 11.755 1.00 0.15 H new ATOM 0 HG2 LYS A 113 19.919 -0.620 13.021 1.00 0.24 H new ATOM 0 HG3 LYS A 113 21.427 0.272 13.034 1.00 0.24 H new ATOM 0 HD2 LYS A 113 20.260 0.647 15.141 1.00 0.34 H new ATOM 0 HD3 LYS A 113 20.308 2.148 14.237 1.00 0.34 H new ATOM 0 HE2 LYS A 113 17.985 1.670 13.392 1.00 1.46 H new ATOM 0 HE3 LYS A 113 17.945 0.232 14.393 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 16.865 2.086 15.479 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 18.243 1.623 16.356 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 18.282 3.016 15.386 1.00 2.22 H new ATOM 1750 N PHE A 114 19.346 -1.620 9.512 1.00 0.11 N ATOM 1751 CA PHE A 114 18.343 -2.378 8.800 1.00 0.10 C ATOM 1752 C PHE A 114 17.499 -3.257 9.694 1.00 0.12 C ATOM 1753 O PHE A 114 17.863 -3.568 10.829 1.00 0.15 O ATOM 1754 CB PHE A 114 19.005 -3.211 7.735 1.00 0.08 C ATOM 1755 CG PHE A 114 19.530 -2.378 6.630 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.802 -1.854 6.693 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.747 -2.120 5.527 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.285 -1.083 5.669 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.222 -1.354 4.501 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.493 -0.831 4.568 1.00 0.06 C ATOM 0 H PHE A 114 20.245 -2.092 9.608 1.00 0.11 H new ATOM 0 HA PHE A 114 17.661 -1.655 8.353 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.820 -3.784 8.177 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.288 -3.930 7.339 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.422 -2.052 7.555 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.748 -2.527 5.473 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.283 -0.674 5.723 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.601 -1.159 3.639 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.870 -0.223 3.759 1.00 0.06 H new ATOM 1770 N THR A 115 16.352 -3.612 9.159 1.00 0.12 N ATOM 1771 CA THR A 115 15.450 -4.556 9.761 1.00 0.13 C ATOM 1772 C THR A 115 15.000 -5.536 8.706 1.00 0.13 C ATOM 1773 O THR A 115 14.802 -5.169 7.547 1.00 0.13 O ATOM 1774 CB THR A 115 14.239 -3.852 10.398 1.00 0.15 C ATOM 1775 OG1 THR A 115 13.900 -2.682 9.644 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.529 -3.469 11.839 1.00 0.20 C ATOM 0 H THR A 115 16.016 -3.240 8.270 1.00 0.12 H new ATOM 0 HA THR A 115 15.970 -5.084 10.561 1.00 0.13 H new ATOM 0 HB THR A 115 13.398 -4.545 10.388 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.128 -2.241 10.055 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.657 -2.973 12.266 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.755 -4.366 12.415 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.383 -2.793 11.871 1.00 0.20 H new ATOM 1784 N ASP A 116 14.915 -6.785 9.105 1.00 0.16 N ATOM 1785 CA ASP A 116 14.407 -7.849 8.266 1.00 0.18 C ATOM 1786 C ASP A 116 12.924 -7.656 8.089 1.00 0.17 C ATOM 1787 O ASP A 116 12.100 -8.400 8.627 1.00 0.23 O ATOM 1788 CB ASP A 116 14.695 -9.193 8.922 1.00 0.24 C ATOM 1789 CG ASP A 116 16.161 -9.571 8.897 1.00 0.80 C ATOM 1790 OD1 ASP A 116 16.956 -8.929 9.618 1.00 1.36 O ATOM 1791 OD2 ASP A 116 16.524 -10.529 8.183 1.00 0.88 O1- ATOM 0 H ASP A 116 15.200 -7.095 10.034 1.00 0.16 H new ATOM 0 HA ASP A 116 14.893 -7.828 7.290 1.00 0.18 H new ATOM 0 HB2 ASP A 116 14.352 -9.165 9.956 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.119 -9.967 8.416 1.00 0.24 H new ATOM 1796 N ILE A 117 12.610 -6.626 7.348 1.00 0.14 N ATOM 1797 CA ILE A 117 11.262 -6.145 7.234 1.00 0.13 C ATOM 1798 C ILE A 117 10.397 -7.044 6.399 1.00 0.15 C ATOM 1799 O ILE A 117 10.628 -7.242 5.209 1.00 0.18 O ATOM 1800 CB ILE A 117 11.217 -4.731 6.666 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.852 -3.793 7.671 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.782 -4.323 6.361 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.614 -2.330 7.380 1.00 0.12 C ATOM 0 H ILE A 117 13.289 -6.095 6.803 1.00 0.14 H new ATOM 0 HA ILE A 117 10.864 -6.137 8.249 1.00 0.13 H new ATOM 0 HB ILE A 117 11.771 -4.686 5.728 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.464 -4.023 8.663 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.926 -3.978 7.697 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.770 -3.311 5.956 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.356 -5.011 5.631 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.192 -4.355 7.277 1.00 0.12 H new ATOM 0 HD11 ILE A 117 12.100 -1.723 8.144 1.00 0.12 H new ATOM 0 HD12 ILE A 117 12.027 -2.082 6.402 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.543 -2.128 7.383 1.00 0.12 H new ATOM 1815 N LYS A 118 9.391 -7.583 7.033 1.00 0.14 N ATOM 1816 CA LYS A 118 8.394 -8.310 6.314 1.00 0.16 C ATOM 1817 C LYS A 118 7.144 -7.508 6.227 1.00 0.14 C ATOM 1818 O LYS A 118 6.391 -7.339 7.186 1.00 0.22 O ATOM 1819 CB LYS A 118 8.110 -9.647 6.938 1.00 0.23 C ATOM 1820 CG LYS A 118 9.367 -10.412 7.188 1.00 0.30 C ATOM 1821 CD LYS A 118 10.021 -10.961 5.923 1.00 0.38 C ATOM 1822 CE LYS A 118 10.935 -12.125 6.273 1.00 1.10 C ATOM 1823 NZ LYS A 118 11.474 -12.805 5.071 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.245 -7.530 8.041 1.00 0.14 H new ATOM 0 HA LYS A 118 8.780 -8.495 5.311 1.00 0.16 H new ATOM 0 HB2 LYS A 118 7.576 -9.505 7.878 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.456 -10.223 6.284 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.078 -9.765 7.701 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.148 -11.241 7.861 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.255 -11.288 5.220 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.592 -10.175 5.429 1.00 0.38 H new ATOM 0 HE2 LYS A 118 11.762 -11.762 6.883 1.00 1.10 H new ATOM 0 HE3 LYS A 118 10.385 -12.846 6.878 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 12.117 -13.569 5.363 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 10.690 -13.205 4.518 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 11.994 -12.119 4.488 1.00 1.87 H new ATOM 1837 N THR A 119 6.970 -7.005 5.057 1.00 0.10 N ATOM 1838 CA THR A 119 5.795 -6.276 4.687 1.00 0.09 C ATOM 1839 C THR A 119 4.679 -7.244 4.417 1.00 0.12 C ATOM 1840 O THR A 119 3.518 -6.865 4.254 1.00 0.16 O ATOM 1841 CB THR A 119 6.093 -5.516 3.414 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.316 -6.439 2.346 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.322 -4.695 3.603 1.00 0.06 C ATOM 0 H THR A 119 7.655 -7.088 4.306 1.00 0.10 H new ATOM 0 HA THR A 119 5.507 -5.594 5.487 1.00 0.09 H new ATOM 0 HB THR A 119 5.247 -4.871 3.175 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.269 -6.665 2.302 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.538 -4.147 2.686 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.166 -3.990 4.419 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.162 -5.347 3.842 1.00 0.06 H new ATOM 1851 N GLY A 120 5.057 -8.508 4.357 1.00 0.13 N ATOM 1852 CA GLY A 120 4.146 -9.498 3.876 1.00 0.14 C ATOM 1853 C GLY A 120 4.321 -9.723 2.387 1.00 0.13 C ATOM 1854 O GLY A 120 3.873 -10.732 1.839 1.00 0.18 O ATOM 0 H GLY A 120 5.975 -8.857 4.633 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.307 -10.435 4.410 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.122 -9.185 4.082 1.00 0.14 H new ATOM 1858 N ASN A 121 4.973 -8.768 1.731 1.00 0.10 N ATOM 1859 CA ASN A 121 5.331 -8.892 0.334 1.00 0.10 C ATOM 1860 C ASN A 121 6.698 -9.544 0.261 1.00 0.16 C ATOM 1861 O ASN A 121 7.700 -8.932 0.621 1.00 0.30 O ATOM 1862 CB ASN A 121 5.376 -7.501 -0.309 1.00 0.11 C ATOM 1863 CG ASN A 121 5.617 -7.520 -1.803 1.00 0.16 C ATOM 1864 OD1 ASN A 121 6.100 -8.502 -2.367 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.342 -6.398 -2.445 1.00 0.13 N ATOM 0 H ASN A 121 5.265 -7.889 2.158 1.00 0.10 H new ATOM 0 HA ASN A 121 4.597 -9.496 -0.200 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.434 -6.990 -0.110 1.00 0.11 H new ATOM 0 HB3 ASN A 121 6.163 -6.917 0.168 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.530 -6.323 -3.445 1.00 0.13 H new ATOM 0 HD22 ASN A 121 4.942 -5.607 -1.941 1.00 0.13 H new ATOM 1872 N THR A 122 6.732 -10.790 -0.179 1.00 0.15 N ATOM 1873 CA THR A 122 7.959 -11.556 -0.206 1.00 0.16 C ATOM 1874 C THR A 122 8.970 -10.978 -1.157 1.00 0.12 C ATOM 1875 O THR A 122 10.074 -10.664 -0.759 1.00 0.11 O ATOM 1876 CB THR A 122 7.705 -12.993 -0.615 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.696 -13.588 0.209 1.00 0.26 O ATOM 1878 CG2 THR A 122 8.988 -13.781 -0.527 1.00 0.19 C ATOM 0 H THR A 122 5.915 -11.293 -0.524 1.00 0.15 H new ATOM 0 HA THR A 122 8.353 -11.517 0.809 1.00 0.16 H new ATOM 0 HB THR A 122 7.347 -13.005 -1.645 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.547 -14.514 -0.074 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.802 -14.814 -0.822 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.731 -13.342 -1.193 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.360 -13.758 0.497 1.00 0.19 H new ATOM 1886 N GLU A 123 8.596 -10.864 -2.413 1.00 0.14 N ATOM 1887 CA GLU A 123 9.481 -10.324 -3.423 1.00 0.14 C ATOM 1888 C GLU A 123 10.009 -8.985 -2.989 1.00 0.11 C ATOM 1889 O GLU A 123 11.157 -8.655 -3.238 1.00 0.15 O ATOM 1890 CB GLU A 123 8.728 -10.186 -4.720 1.00 0.21 C ATOM 1891 CG GLU A 123 8.027 -11.462 -5.113 1.00 0.30 C ATOM 1892 CD GLU A 123 8.732 -12.198 -6.231 1.00 1.16 C ATOM 1893 OE1 GLU A 123 9.313 -13.270 -5.968 1.00 1.66 O ATOM 1894 OE2 GLU A 123 8.717 -11.707 -7.377 1.00 1.46 O1- ATOM 0 H GLU A 123 7.678 -11.140 -2.761 1.00 0.14 H new ATOM 0 HA GLU A 123 10.325 -11.000 -3.562 1.00 0.14 H new ATOM 0 HB2 GLU A 123 7.995 -9.385 -4.628 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.420 -9.896 -5.510 1.00 0.21 H new ATOM 0 HG2 GLU A 123 7.956 -12.115 -4.243 1.00 0.30 H new ATOM 0 HG3 GLU A 123 7.008 -11.231 -5.423 1.00 0.30 H new ATOM 1901 N LEU A 124 9.173 -8.240 -2.295 1.00 0.09 N ATOM 1902 CA LEU A 124 9.575 -6.973 -1.761 1.00 0.07 C ATOM 1903 C LEU A 124 10.538 -7.188 -0.632 1.00 0.08 C ATOM 1904 O LEU A 124 11.546 -6.528 -0.571 1.00 0.08 O ATOM 1905 CB LEU A 124 8.393 -6.210 -1.246 1.00 0.07 C ATOM 1906 CG LEU A 124 8.755 -5.037 -0.372 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.478 -4.007 -1.183 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.526 -4.464 0.256 1.00 0.05 C ATOM 0 H LEU A 124 8.208 -8.500 -2.092 1.00 0.09 H new ATOM 0 HA LEU A 124 10.047 -6.401 -2.560 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.807 -5.852 -2.093 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.754 -6.888 -0.680 1.00 0.07 H new ATOM 0 HG LEU A 124 9.416 -5.371 0.428 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.738 -3.160 -0.548 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.387 -4.443 -1.597 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.836 -3.667 -1.995 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.800 -3.617 0.885 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.841 -4.130 -0.523 1.00 0.05 H new ATOM 0 HD23 LEU A 124 7.039 -5.226 0.865 1.00 0.05 H new ATOM 1920 N ASP A 125 10.215 -8.126 0.250 1.00 0.09 N ATOM 1921 CA ASP A 125 11.099 -8.486 1.354 1.00 0.12 C ATOM 1922 C ASP A 125 12.456 -8.781 0.802 1.00 0.12 C ATOM 1923 O ASP A 125 13.484 -8.406 1.355 1.00 0.19 O ATOM 1924 CB ASP A 125 10.592 -9.725 2.092 1.00 0.21 C ATOM 1925 CG ASP A 125 11.594 -10.239 3.100 1.00 0.97 C ATOM 1926 OD1 ASP A 125 12.038 -11.391 2.985 1.00 1.49 O ATOM 1927 OD2 ASP A 125 11.950 -9.470 4.015 1.00 1.21 O1- ATOM 0 H ASP A 125 9.343 -8.654 0.222 1.00 0.09 H new ATOM 0 HA ASP A 125 11.131 -7.654 2.057 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.658 -9.486 2.600 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.370 -10.511 1.370 1.00 0.21 H new ATOM 1932 N LYS A 126 12.421 -9.443 -0.323 1.00 0.10 N ATOM 1933 CA LYS A 126 13.613 -9.827 -1.019 1.00 0.10 C ATOM 1934 C LYS A 126 14.312 -8.652 -1.670 1.00 0.11 C ATOM 1935 O LYS A 126 15.511 -8.705 -1.900 1.00 0.17 O ATOM 1936 CB LYS A 126 13.258 -10.890 -2.041 1.00 0.11 C ATOM 1937 CG LYS A 126 12.477 -12.034 -1.433 1.00 0.13 C ATOM 1938 CD LYS A 126 12.436 -13.232 -2.366 1.00 0.18 C ATOM 1939 CE LYS A 126 12.248 -14.538 -1.612 1.00 0.62 C ATOM 1940 NZ LYS A 126 13.424 -14.865 -0.769 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.558 -9.732 -0.783 1.00 0.10 H new ATOM 0 HA LYS A 126 14.321 -10.229 -0.295 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.673 -10.439 -2.842 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.172 -11.276 -2.492 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.931 -12.324 -0.485 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.461 -11.707 -1.213 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.623 -13.106 -3.081 1.00 0.18 H new ATOM 0 HD3 LYS A 126 13.361 -13.275 -2.940 1.00 0.18 H new ATOM 0 HE2 LYS A 126 11.359 -14.470 -0.985 1.00 0.62 H new ATOM 0 HE3 LYS A 126 12.075 -15.346 -2.323 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 13.448 -15.889 -0.588 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 14.294 -14.580 -1.262 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 13.356 -14.355 0.135 1.00 1.29 H new ATOM 1954 N VAL A 127 13.594 -7.584 -1.936 1.00 0.08 N ATOM 1955 CA VAL A 127 14.210 -6.422 -2.516 1.00 0.07 C ATOM 1956 C VAL A 127 14.595 -5.465 -1.405 1.00 0.06 C ATOM 1957 O VAL A 127 15.568 -4.723 -1.504 1.00 0.06 O ATOM 1958 CB VAL A 127 13.291 -5.708 -3.504 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.048 -4.588 -4.183 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.749 -6.675 -4.538 1.00 0.09 C ATOM 0 H VAL A 127 12.593 -7.500 -1.760 1.00 0.08 H new ATOM 0 HA VAL A 127 15.089 -6.751 -3.070 1.00 0.07 H new ATOM 0 HB VAL A 127 12.446 -5.293 -2.955 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.390 -4.079 -4.888 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.396 -3.877 -3.433 1.00 0.07 H new ATOM 0 HG13 VAL A 127 14.904 -4.999 -4.718 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.097 -6.141 -5.229 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.577 -7.119 -5.090 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.182 -7.461 -4.039 1.00 0.09 H new ATOM 1970 N LEU A 128 13.823 -5.519 -0.335 1.00 0.06 N ATOM 1971 CA LEU A 128 14.139 -4.813 0.883 1.00 0.05 C ATOM 1972 C LEU A 128 15.508 -5.276 1.291 1.00 0.06 C ATOM 1973 O LEU A 128 16.430 -4.508 1.543 1.00 0.06 O ATOM 1974 CB LEU A 128 13.161 -5.208 1.977 1.00 0.06 C ATOM 1975 CG LEU A 128 11.713 -4.887 1.689 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.847 -5.195 2.895 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.567 -3.438 1.275 1.00 0.06 C ATOM 0 H LEU A 128 12.957 -6.057 -0.291 1.00 0.06 H new ATOM 0 HA LEU A 128 14.089 -3.735 0.733 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.251 -6.280 2.154 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.451 -4.707 2.901 1.00 0.06 H new ATOM 0 HG LEU A 128 11.376 -5.514 0.864 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.808 -4.957 2.667 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.931 -6.253 3.143 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.179 -4.597 3.743 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.518 -3.222 1.071 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.921 -2.792 2.079 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.157 -3.255 0.377 1.00 0.06 H new ATOM 1989 N ASP A 129 15.584 -6.593 1.265 1.00 0.06 N ATOM 1990 CA ASP A 129 16.765 -7.372 1.594 1.00 0.07 C ATOM 1991 C ASP A 129 17.927 -6.984 0.740 1.00 0.07 C ATOM 1992 O ASP A 129 19.047 -6.822 1.199 1.00 0.07 O ATOM 1993 CB ASP A 129 16.464 -8.801 1.247 1.00 0.10 C ATOM 1994 CG ASP A 129 16.970 -9.807 2.260 1.00 0.17 C ATOM 1995 OD1 ASP A 129 17.986 -10.477 1.979 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.356 -9.943 3.340 1.00 0.35 O1- ATOM 0 H ASP A 129 14.789 -7.176 1.002 1.00 0.06 H new ATOM 0 HA ASP A 129 17.005 -7.213 2.645 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.385 -8.918 1.143 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.904 -9.028 0.276 1.00 0.10 H new ATOM 2001 N LYS A 130 17.612 -6.914 -0.528 1.00 0.07 N ATOM 2002 CA LYS A 130 18.524 -6.544 -1.572 1.00 0.07 C ATOM 2003 C LYS A 130 19.300 -5.337 -1.166 1.00 0.06 C ATOM 2004 O LYS A 130 20.518 -5.287 -1.273 1.00 0.07 O ATOM 2005 CB LYS A 130 17.659 -6.259 -2.772 1.00 0.08 C ATOM 2006 CG LYS A 130 17.766 -7.237 -3.919 1.00 0.12 C ATOM 2007 CD LYS A 130 17.955 -8.627 -3.438 1.00 0.15 C ATOM 2008 CE LYS A 130 19.413 -9.070 -3.471 1.00 1.00 C ATOM 2009 NZ LYS A 130 19.593 -10.410 -2.861 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.675 -7.122 -0.872 1.00 0.07 H new ATOM 0 HA LYS A 130 19.252 -7.326 -1.787 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.620 -6.227 -2.445 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.907 -5.265 -3.145 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.864 -7.182 -4.529 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.602 -6.957 -4.560 1.00 0.12 H new ATOM 0 HD2 LYS A 130 17.578 -8.708 -2.418 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.360 -9.303 -4.052 1.00 0.15 H new ATOM 0 HE2 LYS A 130 19.764 -9.090 -4.503 1.00 1.00 H new ATOM 0 HE3 LYS A 130 20.026 -8.343 -2.939 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 20.597 -10.678 -2.902 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 19.281 -10.385 -1.869 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 19.027 -11.108 -3.384 1.00 1.66 H new ATOM 2023 N ALA A 131 18.574 -4.406 -0.633 1.00 0.06 N ATOM 2024 CA ALA A 131 19.147 -3.165 -0.189 1.00 0.05 C ATOM 2025 C ALA A 131 20.006 -3.412 1.019 1.00 0.05 C ATOM 2026 O ALA A 131 21.159 -3.022 1.068 1.00 0.05 O ATOM 2027 CB ALA A 131 18.061 -2.198 0.160 1.00 0.04 C ATOM 0 H ALA A 131 17.567 -4.480 -0.491 1.00 0.06 H new ATOM 0 HA ALA A 131 19.756 -2.746 -0.990 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.503 -1.260 0.496 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.442 -2.014 -0.718 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.445 -2.615 0.957 1.00 0.04 H new ATOM 2033 N ILE A 132 19.428 -4.071 1.994 1.00 0.05 N ATOM 2034 CA ILE A 132 20.144 -4.457 3.189 1.00 0.06 C ATOM 2035 C ILE A 132 21.416 -5.199 2.852 1.00 0.08 C ATOM 2036 O ILE A 132 22.363 -5.231 3.635 1.00 0.09 O ATOM 2037 CB ILE A 132 19.277 -5.363 4.050 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.851 -4.835 3.990 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.795 -5.427 5.477 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.915 -5.304 5.083 1.00 0.07 C ATOM 0 H ILE A 132 18.449 -4.355 1.983 1.00 0.05 H new ATOM 0 HA ILE A 132 20.393 -3.543 3.728 1.00 0.06 H new ATOM 0 HB ILE A 132 19.307 -6.385 3.671 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.888 -3.746 4.016 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.422 -5.117 3.028 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.155 -6.082 6.068 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.813 -5.818 5.478 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.790 -4.427 5.911 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.930 -4.861 4.933 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.833 -6.390 5.051 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.307 -4.998 6.053 1.00 0.07 H new ATOM 2052 N SER A 133 21.434 -5.782 1.674 1.00 0.08 N ATOM 2053 CA SER A 133 22.572 -6.543 1.241 1.00 0.10 C ATOM 2054 C SER A 133 23.674 -5.599 0.764 1.00 0.08 C ATOM 2055 O SER A 133 24.848 -5.965 0.668 1.00 0.11 O ATOM 2056 CB SER A 133 22.148 -7.529 0.162 1.00 0.13 C ATOM 2057 OG SER A 133 23.192 -7.800 -0.758 1.00 1.33 O ATOM 0 H SER A 133 20.669 -5.740 1.001 1.00 0.08 H new ATOM 0 HA SER A 133 22.976 -7.121 2.072 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.827 -8.460 0.629 1.00 0.13 H new ATOM 0 HB3 SER A 133 21.288 -7.129 -0.375 1.00 0.13 H new ATOM 0 HG SER A 133 22.877 -8.438 -1.432 1.00 1.33 H new ATOM 2063 N LEU A 134 23.266 -4.375 0.478 1.00 0.08 N ATOM 2064 CA LEU A 134 24.177 -3.284 0.186 1.00 0.08 C ATOM 2065 C LEU A 134 24.721 -2.733 1.497 1.00 0.08 C ATOM 2066 O LEU A 134 25.833 -2.201 1.548 1.00 0.10 O ATOM 2067 CB LEU A 134 23.452 -2.172 -0.564 1.00 0.07 C ATOM 2068 CG LEU A 134 23.250 -2.318 -2.066 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.637 -3.644 -2.440 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.386 -1.169 -2.531 1.00 0.08 C ATOM 0 H LEU A 134 22.282 -4.109 0.442 1.00 0.08 H new ATOM 0 HA LEU A 134 24.991 -3.654 -0.437 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.469 -2.051 -0.108 1.00 0.07 H new ATOM 0 HB3 LEU A 134 23.999 -1.245 -0.392 1.00 0.07 H new ATOM 0 HG LEU A 134 24.221 -2.292 -2.561 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.515 -3.696 -3.522 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.289 -4.452 -2.109 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.664 -3.743 -1.960 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.224 -1.247 -3.606 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.426 -1.204 -2.016 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.884 -0.226 -2.307 1.00 0.08 H new ATOM 2082 N GLY A 135 23.912 -2.859 2.553 1.00 0.09 N ATOM 2083 CA GLY A 135 24.309 -2.392 3.867 1.00 0.12 C ATOM 2084 C GLY A 135 25.496 -3.149 4.427 1.00 0.27 C ATOM 2085 O GLY A 135 26.267 -2.562 5.211 1.00 1.05 O ATOM 2086 OXT GLY A 135 25.668 -4.336 4.086 1.00 1.19 O ATOM 0 H GLY A 135 22.984 -3.280 2.515 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.554 -1.331 3.812 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.466 -2.489 4.552 1.00 0.12 H new