USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 THR OG1 : rot -18:sc= 0.789 USER MOD Single : A 9 CYS SG : rot 32:sc= 0.164 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.586 K(o=-0.59,f=-2.7!) USER MOD Single : A 32 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 40 SER OG : rot 40:sc= -2.03! USER MOD Single : A 41 GLN : amide:sc= -15.8! C(o=-16!,f=-13!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 19:sc= 1.1 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 91 THR OG1 : rot 44:sc= 0.02 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.629 USER MOD Single : A 96 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.045) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot -82:sc= 0.562 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0757 USER MOD Single : A 109 LYS NZ :NH3+ -143:sc= 0.0988 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.265! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 17.357 0.934 13.158 1.00 0.00 N ATOM 91 CA THR A 7 16.835 1.334 11.856 1.00 0.00 C ATOM 92 C THR A 7 16.796 0.146 10.900 1.00 0.00 C ATOM 93 O THR A 7 17.712 -0.677 10.884 1.00 0.00 O ATOM 94 CB THR A 7 17.687 2.457 11.265 1.00 0.00 C ATOM 95 OG1 THR A 7 18.820 2.716 12.077 1.00 0.00 O ATOM 96 CG2 THR A 7 16.922 3.750 11.118 1.00 0.00 C ATOM 0 HA THR A 7 15.817 1.698 11.994 1.00 0.00 H new ATOM 0 HB THR A 7 17.991 2.108 10.278 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.674 2.342 12.971 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.575 4.513 10.694 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.069 3.595 10.458 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.569 4.077 12.096 1.00 0.00 H new ATOM 104 N PHE A 8 15.729 0.056 10.112 1.00 0.00 N ATOM 105 CA PHE A 8 15.581 -1.046 9.165 1.00 0.00 C ATOM 106 C PHE A 8 14.886 -0.616 7.877 1.00 0.00 C ATOM 107 O PHE A 8 13.956 0.188 7.888 1.00 0.00 O ATOM 108 CB PHE A 8 14.793 -2.197 9.796 1.00 0.00 C ATOM 109 CG PHE A 8 13.654 -1.765 10.683 1.00 0.00 C ATOM 110 CD1 PHE A 8 13.005 -0.551 10.489 1.00 0.00 C ATOM 111 CD2 PHE A 8 13.233 -2.583 11.717 1.00 0.00 C ATOM 112 CE1 PHE A 8 11.964 -0.169 11.312 1.00 0.00 C ATOM 113 CE2 PHE A 8 12.192 -2.205 12.542 1.00 0.00 C ATOM 114 CZ PHE A 8 11.556 -0.997 12.339 1.00 0.00 C ATOM 0 H PHE A 8 14.960 0.726 10.109 1.00 0.00 H new ATOM 0 HA PHE A 8 16.589 -1.376 8.914 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.397 -2.828 9.000 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.478 -2.812 10.380 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.318 0.100 9.686 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.725 -3.530 11.881 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.469 0.777 11.152 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.876 -2.854 13.345 1.00 0.00 H new ATOM 0 HZ PHE A 8 10.741 -0.700 12.982 1.00 0.00 H new ATOM 124 N CYS A 9 15.320 -1.196 6.768 1.00 0.00 N ATOM 125 CA CYS A 9 14.715 -0.914 5.476 1.00 0.00 C ATOM 126 C CYS A 9 13.662 -1.981 5.186 1.00 0.00 C ATOM 127 O CYS A 9 13.970 -3.172 5.175 1.00 0.00 O ATOM 128 CB CYS A 9 15.779 -0.907 4.375 1.00 0.00 C ATOM 129 SG CYS A 9 16.781 -2.410 4.307 1.00 0.00 S ATOM 0 H CYS A 9 16.089 -1.865 6.737 1.00 0.00 H new ATOM 0 HA CYS A 9 14.248 0.071 5.499 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.289 -0.766 3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.437 -0.051 4.526 1.00 0.00 H new ATOM 0 HG CYS A 9 16.065 -3.426 4.687 1.00 0.00 H new ATOM 135 N VAL A 10 12.421 -1.560 4.977 1.00 0.00 N ATOM 136 CA VAL A 10 11.338 -2.507 4.718 1.00 0.00 C ATOM 137 C VAL A 10 10.864 -2.425 3.276 1.00 0.00 C ATOM 138 O VAL A 10 10.953 -1.382 2.641 1.00 0.00 O ATOM 139 CB VAL A 10 10.138 -2.270 5.668 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.955 -1.622 4.953 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.715 -3.575 6.317 1.00 0.00 C ATOM 0 H VAL A 10 12.139 -0.580 4.981 1.00 0.00 H new ATOM 0 HA VAL A 10 11.741 -3.503 4.902 1.00 0.00 H new ATOM 0 HB VAL A 10 10.467 -1.575 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.138 -1.476 5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.260 -0.658 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.621 -2.269 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.871 -3.394 6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.423 -4.287 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.547 -3.983 6.890 1.00 0.00 H new ATOM 151 N VAL A 11 10.360 -3.534 2.768 1.00 0.00 N ATOM 152 CA VAL A 11 9.876 -3.581 1.404 1.00 0.00 C ATOM 153 C VAL A 11 8.521 -4.277 1.322 1.00 0.00 C ATOM 154 O VAL A 11 8.365 -5.417 1.759 1.00 0.00 O ATOM 155 CB VAL A 11 10.897 -4.284 0.499 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.305 -5.617 1.099 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.362 -4.452 -0.916 1.00 0.00 C ATOM 0 H VAL A 11 10.276 -4.412 3.280 1.00 0.00 H new ATOM 0 HA VAL A 11 9.747 -2.556 1.057 1.00 0.00 H new ATOM 0 HB VAL A 11 11.784 -3.654 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.029 -6.104 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.753 -5.453 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.426 -6.253 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.110 -4.953 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.451 -5.051 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.141 -3.473 -1.340 1.00 0.00 H new ATOM 167 N VAL A 12 7.541 -3.568 0.769 1.00 0.00 N ATOM 168 CA VAL A 12 6.188 -4.097 0.636 1.00 0.00 C ATOM 169 C VAL A 12 5.954 -4.710 -0.736 1.00 0.00 C ATOM 170 O VAL A 12 5.759 -3.995 -1.717 1.00 0.00 O ATOM 171 CB VAL A 12 5.132 -2.997 0.860 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.908 -2.777 2.341 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.548 -1.699 0.185 1.00 0.00 C ATOM 0 H VAL A 12 7.660 -2.623 0.405 1.00 0.00 H new ATOM 0 HA VAL A 12 6.087 -4.869 1.399 1.00 0.00 H new ATOM 0 HB VAL A 12 4.195 -3.326 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.160 -1.997 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.559 -3.703 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.844 -2.472 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.786 -0.939 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.498 -1.362 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.658 -1.865 -0.887 1.00 0.00 H new ATOM 183 N GLN A 13 5.948 -6.035 -0.793 1.00 0.00 N ATOM 184 CA GLN A 13 5.711 -6.741 -2.043 1.00 0.00 C ATOM 185 C GLN A 13 4.244 -7.138 -2.144 1.00 0.00 C ATOM 186 O GLN A 13 3.790 -8.043 -1.442 1.00 0.00 O ATOM 187 CB GLN A 13 6.601 -7.983 -2.134 1.00 0.00 C ATOM 188 CG GLN A 13 6.828 -8.466 -3.556 1.00 0.00 C ATOM 189 CD GLN A 13 6.022 -9.706 -3.888 1.00 0.00 C ATOM 190 OE1 GLN A 13 5.006 -9.634 -4.581 1.00 0.00 O ATOM 191 NE2 GLN A 13 6.470 -10.853 -3.391 1.00 0.00 N ATOM 0 H GLN A 13 6.105 -6.642 0.012 1.00 0.00 H new ATOM 0 HA GLN A 13 5.958 -6.078 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.565 -7.763 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.148 -8.787 -1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.565 -7.670 -4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.888 -8.677 -3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.316 -10.866 -2.822 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.968 -11.721 -3.578 1.00 0.00 H new ATOM 200 N ASN A 14 3.498 -6.452 -3.004 1.00 0.00 N ATOM 201 CA ASN A 14 2.079 -6.741 -3.164 1.00 0.00 C ATOM 202 C ASN A 14 1.826 -7.673 -4.340 1.00 0.00 C ATOM 203 O ASN A 14 2.074 -7.326 -5.494 1.00 0.00 O ATOM 204 CB ASN A 14 1.272 -5.450 -3.353 1.00 0.00 C ATOM 205 CG ASN A 14 1.522 -4.787 -4.693 1.00 0.00 C ATOM 206 OD1 ASN A 14 2.652 -4.418 -5.016 1.00 0.00 O ATOM 207 ND2 ASN A 14 0.464 -4.633 -5.481 1.00 0.00 N ATOM 0 H ASN A 14 3.849 -5.699 -3.596 1.00 0.00 H new ATOM 0 HA ASN A 14 1.752 -7.238 -2.251 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.210 -5.675 -3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.523 -4.751 -2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.569 -4.194 -6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.453 -4.954 -5.172 1.00 0.00 H new ATOM 482 N ASP A 31 7.082 -4.276 -5.566 1.00 0.00 N ATOM 483 CA ASP A 31 7.601 -4.096 -4.216 1.00 0.00 C ATOM 484 C ASP A 31 8.332 -2.764 -4.079 1.00 0.00 C ATOM 485 O ASP A 31 9.113 -2.383 -4.952 1.00 0.00 O ATOM 486 CB ASP A 31 8.542 -5.247 -3.853 1.00 0.00 C ATOM 487 CG ASP A 31 9.562 -5.525 -4.939 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.262 -4.578 -5.353 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.662 -6.692 -5.375 1.00 0.00 O ATOM 0 HA ASP A 31 6.755 -4.093 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.060 -5.010 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.956 -6.148 -3.670 1.00 0.00 H new ATOM 494 N ASN A 32 8.081 -2.061 -2.976 1.00 0.00 N ATOM 495 CA ASN A 32 8.725 -0.776 -2.728 1.00 0.00 C ATOM 496 C ASN A 32 9.600 -0.855 -1.483 1.00 0.00 C ATOM 497 O ASN A 32 9.163 -1.348 -0.446 1.00 0.00 O ATOM 498 CB ASN A 32 7.674 0.323 -2.562 1.00 0.00 C ATOM 499 CG ASN A 32 8.231 1.705 -2.846 1.00 0.00 C ATOM 500 OD1 ASN A 32 9.275 1.846 -3.484 1.00 0.00 O ATOM 501 ND2 ASN A 32 7.536 2.732 -2.373 1.00 0.00 N ATOM 0 H ASN A 32 7.438 -2.360 -2.243 1.00 0.00 H new ATOM 0 HA ASN A 32 9.354 -0.533 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.838 0.126 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.280 0.295 -1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.862 3.685 -2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.676 2.568 -1.850 1.00 0.00 H new ATOM 508 N SER A 33 10.836 -0.373 -1.587 1.00 0.00 N ATOM 509 CA SER A 33 11.757 -0.408 -0.457 1.00 0.00 C ATOM 510 C SER A 33 11.598 0.813 0.429 1.00 0.00 C ATOM 511 O SER A 33 11.311 1.915 -0.041 1.00 0.00 O ATOM 512 CB SER A 33 13.208 -0.501 -0.924 1.00 0.00 C ATOM 513 OG SER A 33 13.422 -1.661 -1.710 1.00 0.00 O ATOM 0 H SER A 33 11.220 0.043 -2.436 1.00 0.00 H new ATOM 0 HA SER A 33 11.509 -1.299 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.463 0.386 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.871 -0.518 -0.059 1.00 0.00 H new ATOM 0 HG SER A 33 14.359 -1.694 -1.997 1.00 0.00 H new ATOM 519 N LEU A 34 11.786 0.596 1.719 1.00 0.00 N ATOM 520 CA LEU A 34 11.669 1.654 2.709 1.00 0.00 C ATOM 521 C LEU A 34 13.031 1.933 3.347 1.00 0.00 C ATOM 522 O LEU A 34 13.800 1.012 3.618 1.00 0.00 O ATOM 523 CB LEU A 34 10.626 1.243 3.767 1.00 0.00 C ATOM 524 CG LEU A 34 10.554 2.082 5.035 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.533 1.531 6.051 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.812 3.557 4.758 1.00 0.00 C ATOM 0 H LEU A 34 12.023 -0.316 2.110 1.00 0.00 H new ATOM 0 HA LEU A 34 11.335 2.575 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.643 1.258 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.826 0.211 4.056 1.00 0.00 H new ATOM 0 HG LEU A 34 9.543 2.019 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.486 2.128 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.275 0.497 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.543 1.571 5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.751 4.118 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.805 3.678 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.064 3.932 4.059 1.00 0.00 H new ATOM 538 N ALA A 35 13.318 3.207 3.585 1.00 0.00 N ATOM 539 CA ALA A 35 14.567 3.627 4.191 1.00 0.00 C ATOM 540 C ALA A 35 14.604 3.219 5.650 1.00 0.00 C ATOM 541 O ALA A 35 13.570 2.981 6.260 1.00 0.00 O ATOM 542 CB ALA A 35 14.744 5.126 4.059 1.00 0.00 C ATOM 0 H ALA A 35 12.687 3.977 3.361 1.00 0.00 H new ATOM 0 HA ALA A 35 15.388 3.136 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.686 5.423 4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.753 5.400 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.920 5.635 4.559 1.00 0.00 H new ATOM 548 N ALA A 36 15.793 3.111 6.200 1.00 0.00 N ATOM 549 CA ALA A 36 15.934 2.679 7.582 1.00 0.00 C ATOM 550 C ALA A 36 15.420 3.739 8.545 1.00 0.00 C ATOM 551 O ALA A 36 15.980 4.828 8.668 1.00 0.00 O ATOM 552 CB ALA A 36 17.388 2.350 7.883 1.00 0.00 C ATOM 0 H ALA A 36 16.671 3.313 5.722 1.00 0.00 H new ATOM 0 HA ALA A 36 15.332 1.781 7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.481 2.028 8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.724 1.550 7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.002 3.236 7.722 1.00 0.00 H new ATOM 558 N VAL A 37 14.322 3.388 9.219 1.00 0.00 N ATOM 559 CA VAL A 37 13.669 4.269 10.180 1.00 0.00 C ATOM 560 C VAL A 37 13.455 3.549 11.509 1.00 0.00 C ATOM 561 O VAL A 37 13.622 2.333 11.599 1.00 0.00 O ATOM 562 CB VAL A 37 12.301 4.753 9.652 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.812 5.962 10.433 1.00 0.00 C ATOM 564 CG2 VAL A 37 12.371 5.061 8.162 1.00 0.00 C ATOM 0 H VAL A 37 13.863 2.483 9.111 1.00 0.00 H new ATOM 0 HA VAL A 37 14.322 5.130 10.327 1.00 0.00 H new ATOM 0 HB VAL A 37 11.582 3.947 9.796 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.847 6.282 10.041 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.706 5.697 11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.532 6.775 10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.395 5.400 7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.110 5.842 7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.658 4.161 7.618 1.00 0.00 H new ATOM 574 N SER A 38 13.081 4.304 12.538 1.00 0.00 N ATOM 575 CA SER A 38 12.843 3.734 13.860 1.00 0.00 C ATOM 576 C SER A 38 11.816 2.605 13.800 1.00 0.00 C ATOM 577 O SER A 38 12.118 1.462 14.140 1.00 0.00 O ATOM 578 CB SER A 38 12.364 4.821 14.824 1.00 0.00 C ATOM 579 OG SER A 38 13.134 6.003 14.682 1.00 0.00 O ATOM 0 H SER A 38 12.936 5.312 12.482 1.00 0.00 H new ATOM 0 HA SER A 38 13.784 3.320 14.221 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.314 5.042 14.635 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.434 4.459 15.850 1.00 0.00 H new ATOM 0 HG SER A 38 12.808 6.683 15.307 1.00 0.00 H new ATOM 585 N GLU A 39 10.600 2.933 13.370 1.00 0.00 N ATOM 586 CA GLU A 39 9.532 1.938 13.275 1.00 0.00 C ATOM 587 C GLU A 39 8.354 2.427 12.428 1.00 0.00 C ATOM 588 O GLU A 39 7.519 1.628 12.003 1.00 0.00 O ATOM 589 CB GLU A 39 9.039 1.563 14.673 1.00 0.00 C ATOM 590 CG GLU A 39 8.266 0.255 14.715 1.00 0.00 C ATOM 591 CD GLU A 39 6.936 0.383 15.432 1.00 0.00 C ATOM 592 OE1 GLU A 39 6.908 0.985 16.526 1.00 0.00 O ATOM 593 OE2 GLU A 39 5.924 -0.117 14.899 1.00 0.00 O ATOM 0 H GLU A 39 10.329 3.874 13.083 1.00 0.00 H new ATOM 0 HA GLU A 39 9.952 1.062 12.780 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.895 1.491 15.344 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.403 2.363 15.052 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.093 -0.093 13.697 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.870 -0.504 15.212 1.00 0.00 H new ATOM 600 N SER A 40 8.278 3.735 12.194 1.00 0.00 N ATOM 601 CA SER A 40 7.192 4.320 11.408 1.00 0.00 C ATOM 602 C SER A 40 6.886 3.502 10.152 1.00 0.00 C ATOM 603 O SER A 40 5.738 3.427 9.720 1.00 0.00 O ATOM 604 CB SER A 40 7.539 5.757 11.016 1.00 0.00 C ATOM 605 OG SER A 40 8.907 5.875 10.667 1.00 0.00 O ATOM 0 H SER A 40 8.958 4.413 12.539 1.00 0.00 H new ATOM 0 HA SER A 40 6.300 4.314 12.034 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.918 6.068 10.176 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.313 6.428 11.845 1.00 0.00 H new ATOM 0 HG SER A 40 9.181 5.089 10.149 1.00 0.00 H new ATOM 611 N GLN A 41 7.916 2.898 9.566 1.00 0.00 N ATOM 612 CA GLN A 41 7.738 2.099 8.357 1.00 0.00 C ATOM 613 C GLN A 41 6.898 0.858 8.620 1.00 0.00 C ATOM 614 O GLN A 41 6.105 0.443 7.775 1.00 0.00 O ATOM 615 CB GLN A 41 9.088 1.685 7.773 1.00 0.00 C ATOM 616 CG GLN A 41 9.992 0.919 8.733 1.00 0.00 C ATOM 617 CD GLN A 41 9.512 -0.495 9.022 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.738 -1.025 10.108 1.00 0.00 O ATOM 619 NE2 GLN A 41 8.848 -1.117 8.054 1.00 0.00 N ATOM 0 H GLN A 41 8.877 2.946 9.906 1.00 0.00 H new ATOM 0 HA GLN A 41 7.211 2.726 7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.913 1.069 6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.613 2.580 7.438 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.998 0.874 8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.061 1.469 9.671 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.680 -0.644 7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.506 -2.067 8.199 1.00 0.00 H new ATOM 628 N LEU A 42 7.090 0.258 9.785 1.00 0.00 N ATOM 629 CA LEU A 42 6.361 -0.952 10.139 1.00 0.00 C ATOM 630 C LEU A 42 4.882 -0.664 10.346 1.00 0.00 C ATOM 631 O LEU A 42 4.024 -1.461 9.966 1.00 0.00 O ATOM 632 CB LEU A 42 6.952 -1.583 11.402 1.00 0.00 C ATOM 633 CG LEU A 42 6.311 -2.906 11.825 1.00 0.00 C ATOM 634 CD1 LEU A 42 7.060 -4.081 11.215 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.282 -3.021 13.342 1.00 0.00 C ATOM 0 H LEU A 42 7.741 0.586 10.499 1.00 0.00 H new ATOM 0 HA LEU A 42 6.460 -1.653 9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.018 -1.747 11.243 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.858 -0.872 12.223 1.00 0.00 H new ATOM 0 HG LEU A 42 5.285 -2.925 11.458 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.590 -5.014 11.527 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.031 -4.006 10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.096 -4.067 11.552 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.823 -3.968 13.626 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.300 -2.980 13.729 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.702 -2.197 13.758 1.00 0.00 H new ATOM 647 N ALA A 43 4.589 0.475 10.953 1.00 0.00 N ATOM 648 CA ALA A 43 3.213 0.864 11.212 1.00 0.00 C ATOM 649 C ALA A 43 2.614 1.602 10.022 1.00 0.00 C ATOM 650 O ALA A 43 1.406 1.549 9.793 1.00 0.00 O ATOM 651 CB ALA A 43 3.142 1.722 12.460 1.00 0.00 C ATOM 0 H ALA A 43 5.286 1.146 11.275 1.00 0.00 H new ATOM 0 HA ALA A 43 2.627 -0.041 11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.107 2.009 12.646 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.521 1.157 13.312 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.747 2.618 12.321 1.00 0.00 H new ATOM 657 N GLN A 44 3.463 2.288 9.262 1.00 0.00 N ATOM 658 CA GLN A 44 3.004 3.028 8.096 1.00 0.00 C ATOM 659 C GLN A 44 2.410 2.077 7.064 1.00 0.00 C ATOM 660 O GLN A 44 1.322 2.314 6.539 1.00 0.00 O ATOM 661 CB GLN A 44 4.156 3.823 7.477 1.00 0.00 C ATOM 662 CG GLN A 44 3.757 4.606 6.236 1.00 0.00 C ATOM 663 CD GLN A 44 3.756 6.105 6.466 1.00 0.00 C ATOM 664 OE1 GLN A 44 4.786 6.766 6.337 1.00 0.00 O ATOM 665 NE2 GLN A 44 2.594 6.650 6.810 1.00 0.00 N ATOM 0 H GLN A 44 4.467 2.345 9.433 1.00 0.00 H new ATOM 0 HA GLN A 44 2.231 3.727 8.416 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.551 4.514 8.222 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.963 3.137 7.220 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.444 4.367 5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.764 4.291 5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.764 6.064 6.906 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.532 7.654 6.978 1.00 0.00 H new ATOM 674 N LEU A 45 3.133 1.000 6.777 1.00 0.00 N ATOM 675 CA LEU A 45 2.676 0.012 5.808 1.00 0.00 C ATOM 676 C LEU A 45 1.636 -0.916 6.427 1.00 0.00 C ATOM 677 O LEU A 45 0.636 -1.254 5.795 1.00 0.00 O ATOM 678 CB LEU A 45 3.857 -0.802 5.276 1.00 0.00 C ATOM 679 CG LEU A 45 4.803 -0.051 4.328 1.00 0.00 C ATOM 680 CD1 LEU A 45 5.057 1.365 4.818 1.00 0.00 C ATOM 681 CD2 LEU A 45 6.116 -0.804 4.173 1.00 0.00 C ATOM 0 H LEU A 45 4.036 0.790 7.201 1.00 0.00 H new ATOM 0 HA LEU A 45 2.212 0.544 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.436 -1.167 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.468 -1.677 4.755 1.00 0.00 H new ATOM 0 HG LEU A 45 4.321 0.010 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.730 1.874 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.113 1.907 4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.511 1.331 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.772 -0.256 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.597 -0.901 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.921 -1.795 3.764 1.00 0.00 H new ATOM 692 N LYS A 46 1.882 -1.322 7.669 1.00 0.00 N ATOM 693 CA LYS A 46 0.968 -2.211 8.379 1.00 0.00 C ATOM 694 C LYS A 46 -0.300 -1.475 8.809 1.00 0.00 C ATOM 695 O LYS A 46 -1.281 -2.100 9.211 1.00 0.00 O ATOM 696 CB LYS A 46 1.660 -2.813 9.603 1.00 0.00 C ATOM 697 CG LYS A 46 0.918 -3.998 10.200 1.00 0.00 C ATOM 698 CD LYS A 46 1.880 -5.030 10.765 1.00 0.00 C ATOM 699 CE LYS A 46 2.035 -4.885 12.272 1.00 0.00 C ATOM 700 NZ LYS A 46 1.773 -6.166 12.984 1.00 0.00 N ATOM 0 H LYS A 46 2.706 -1.050 8.205 1.00 0.00 H new ATOM 0 HA LYS A 46 0.682 -3.011 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.665 -3.128 9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.768 -2.041 10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.251 -3.651 10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.294 -4.461 9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.519 -6.031 10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.853 -4.922 10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.044 -4.542 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.348 -4.121 12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.889 -6.024 14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.802 -6.481 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.445 -6.889 12.656 1.00 0.00 H new ATOM 714 N ALA A 47 -0.275 -0.145 8.725 1.00 0.00 N ATOM 715 CA ALA A 47 -1.426 0.668 9.108 1.00 0.00 C ATOM 716 C ALA A 47 -2.702 0.174 8.434 1.00 0.00 C ATOM 717 O ALA A 47 -3.789 0.254 9.006 1.00 0.00 O ATOM 718 CB ALA A 47 -1.177 2.128 8.762 1.00 0.00 C ATOM 0 H ALA A 47 0.528 0.390 8.396 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.559 0.576 10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.042 2.723 9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.296 2.483 9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.014 2.225 7.689 1.00 0.00 H new ATOM 724 N ASP A 48 -2.560 -0.338 7.217 1.00 0.00 N ATOM 725 CA ASP A 48 -3.701 -0.848 6.464 1.00 0.00 C ATOM 726 C ASP A 48 -3.498 -2.317 6.099 1.00 0.00 C ATOM 727 O ASP A 48 -2.452 -2.692 5.569 1.00 0.00 O ATOM 728 CB ASP A 48 -3.912 -0.020 5.194 1.00 0.00 C ATOM 729 CG ASP A 48 -2.699 -0.038 4.285 1.00 0.00 C ATOM 730 OD1 ASP A 48 -1.592 -0.341 4.777 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.856 0.252 3.080 1.00 0.00 O ATOM 0 H ASP A 48 -1.667 -0.411 6.730 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.587 -0.767 7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.775 -0.405 4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.142 1.010 5.469 1.00 0.00 H new ATOM 736 N PRO A 49 -4.497 -3.174 6.380 1.00 0.00 N ATOM 737 CA PRO A 49 -4.415 -4.603 6.078 1.00 0.00 C ATOM 738 C PRO A 49 -4.641 -4.895 4.598 1.00 0.00 C ATOM 739 O PRO A 49 -5.672 -5.448 4.214 1.00 0.00 O ATOM 740 CB PRO A 49 -5.540 -5.198 6.922 1.00 0.00 C ATOM 741 CG PRO A 49 -6.554 -4.111 7.009 1.00 0.00 C ATOM 742 CD PRO A 49 -5.782 -2.817 7.015 1.00 0.00 C ATOM 0 HA PRO A 49 -3.431 -5.017 6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.955 -6.092 6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.184 -5.489 7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.241 -4.151 6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.155 -4.210 7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.302 -2.038 6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.638 -2.441 8.028 1.00 0.00 H new ATOM 750 N ARG A 50 -3.670 -4.521 3.771 1.00 0.00 N ATOM 751 CA ARG A 50 -3.765 -4.743 2.333 1.00 0.00 C ATOM 752 C ARG A 50 -2.484 -5.372 1.794 1.00 0.00 C ATOM 753 O ARG A 50 -2.517 -6.433 1.172 1.00 0.00 O ATOM 754 CB ARG A 50 -4.043 -3.424 1.609 1.00 0.00 C ATOM 755 CG ARG A 50 -5.376 -2.794 1.980 1.00 0.00 C ATOM 756 CD ARG A 50 -6.105 -2.267 0.754 1.00 0.00 C ATOM 757 NE ARG A 50 -6.819 -1.023 1.033 1.00 0.00 N ATOM 758 CZ ARG A 50 -6.235 0.172 1.088 1.00 0.00 C ATOM 759 NH1 ARG A 50 -4.928 0.290 0.885 1.00 0.00 N ATOM 760 NH2 ARG A 50 -6.959 1.253 1.347 1.00 0.00 N ATOM 0 H ARG A 50 -2.809 -4.063 4.072 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.591 -5.430 2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.243 -2.720 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.020 -3.598 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.999 -3.531 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.211 -1.979 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.388 -2.101 -0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.811 -3.019 0.401 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.825 -1.073 1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.366 -0.538 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.486 1.208 0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.963 1.169 1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.511 2.169 1.389 1.00 0.00 H new ATOM 774 N LEU A 51 -1.358 -4.709 2.037 1.00 0.00 N ATOM 775 CA LEU A 51 -0.066 -5.203 1.574 1.00 0.00 C ATOM 776 C LEU A 51 0.687 -5.889 2.712 1.00 0.00 C ATOM 777 O LEU A 51 0.273 -5.823 3.869 1.00 0.00 O ATOM 778 CB LEU A 51 0.775 -4.055 1.006 1.00 0.00 C ATOM 779 CG LEU A 51 0.242 -3.415 -0.281 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.227 -3.046 -0.141 1.00 0.00 C ATOM 781 CD2 LEU A 51 1.065 -2.188 -0.637 1.00 0.00 C ATOM 0 H LEU A 51 -1.314 -3.829 2.551 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.244 -5.932 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.860 -3.280 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.782 -4.426 0.815 1.00 0.00 H new ATOM 0 HG LEU A 51 0.330 -4.145 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.579 -2.594 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.809 -3.943 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.347 -2.336 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.677 -1.743 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.005 -1.462 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.105 -2.478 -0.787 1.00 0.00 H new ATOM 793 N VAL A 52 1.789 -6.553 2.374 1.00 0.00 N ATOM 794 CA VAL A 52 2.592 -7.258 3.369 1.00 0.00 C ATOM 795 C VAL A 52 3.885 -6.510 3.680 1.00 0.00 C ATOM 796 O VAL A 52 4.814 -6.494 2.873 1.00 0.00 O ATOM 797 CB VAL A 52 2.955 -8.675 2.892 1.00 0.00 C ATOM 798 CG1 VAL A 52 3.440 -9.535 4.049 1.00 0.00 C ATOM 799 CG2 VAL A 52 1.774 -9.330 2.189 1.00 0.00 C ATOM 0 H VAL A 52 2.146 -6.618 1.421 1.00 0.00 H new ATOM 0 HA VAL A 52 1.982 -7.318 4.270 1.00 0.00 H new ATOM 0 HB VAL A 52 3.771 -8.587 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.689 -10.531 3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.325 -9.080 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.654 -9.611 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.055 -10.331 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.932 -9.397 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.488 -8.732 1.324 1.00 0.00 H new ATOM 809 N VAL A 53 3.942 -5.909 4.861 1.00 0.00 N ATOM 810 CA VAL A 53 5.127 -5.176 5.296 1.00 0.00 C ATOM 811 C VAL A 53 5.946 -6.022 6.265 1.00 0.00 C ATOM 812 O VAL A 53 5.493 -6.345 7.362 1.00 0.00 O ATOM 813 CB VAL A 53 4.754 -3.826 5.952 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.571 -3.986 6.897 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.940 -3.207 6.684 1.00 0.00 C ATOM 0 H VAL A 53 3.179 -5.914 5.538 1.00 0.00 H new ATOM 0 HA VAL A 53 5.726 -4.962 4.411 1.00 0.00 H new ATOM 0 HB VAL A 53 4.467 -3.147 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.330 -3.022 7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.709 -4.354 6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.827 -4.697 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.638 -2.260 7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.279 -3.886 7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.752 -3.032 5.978 1.00 0.00 H new ATOM 825 N GLN A 54 7.148 -6.386 5.838 1.00 0.00 N ATOM 826 CA GLN A 54 8.034 -7.212 6.656 1.00 0.00 C ATOM 827 C GLN A 54 9.412 -6.571 6.809 1.00 0.00 C ATOM 828 O GLN A 54 10.068 -6.246 5.821 1.00 0.00 O ATOM 829 CB GLN A 54 8.172 -8.606 6.038 1.00 0.00 C ATOM 830 CG GLN A 54 7.838 -9.734 6.999 1.00 0.00 C ATOM 831 CD GLN A 54 7.527 -11.034 6.285 1.00 0.00 C ATOM 832 OE1 GLN A 54 8.388 -11.904 6.151 1.00 0.00 O ATOM 833 NE2 GLN A 54 6.291 -11.174 5.821 1.00 0.00 N ATOM 0 H GLN A 54 7.534 -6.124 4.931 1.00 0.00 H new ATOM 0 HA GLN A 54 7.590 -7.297 7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.518 -8.675 5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.193 -8.736 5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.677 -9.888 7.678 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.982 -9.445 7.609 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.609 -10.428 5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.024 -12.028 5.331 1.00 0.00 H new ATOM 842 N ILE A 55 9.843 -6.406 8.059 1.00 0.00 N ATOM 843 CA ILE A 55 11.143 -5.811 8.360 1.00 0.00 C ATOM 844 C ILE A 55 12.242 -6.869 8.394 1.00 0.00 C ATOM 845 O ILE A 55 12.012 -8.005 8.806 1.00 0.00 O ATOM 846 CB ILE A 55 11.120 -5.076 9.717 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.838 -6.060 10.856 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.082 -3.965 9.703 1.00 0.00 C ATOM 849 CD1 ILE A 55 12.086 -6.695 11.431 1.00 0.00 C ATOM 0 H ILE A 55 9.307 -6.678 8.883 1.00 0.00 H new ATOM 0 HA ILE A 55 11.354 -5.097 7.564 1.00 0.00 H new ATOM 0 HB ILE A 55 12.100 -4.629 9.883 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.306 -5.539 11.652 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.176 -6.845 10.491 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.079 -3.457 10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.325 -3.250 8.917 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.096 -4.390 9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.810 -7.380 12.233 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.608 -7.245 10.648 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.740 -5.918 11.827 1.00 0.00 H new ATOM 861 N THR A 56 13.439 -6.484 7.961 1.00 0.00 N ATOM 862 CA THR A 56 14.577 -7.392 7.946 1.00 0.00 C ATOM 863 C THR A 56 15.725 -6.829 8.777 1.00 0.00 C ATOM 864 O THR A 56 16.419 -5.905 8.351 1.00 0.00 O ATOM 865 CB THR A 56 15.044 -7.636 6.509 1.00 0.00 C ATOM 866 OG1 THR A 56 15.579 -6.450 5.948 1.00 0.00 O ATOM 867 CG2 THR A 56 13.939 -8.118 5.595 1.00 0.00 C ATOM 0 H THR A 56 13.644 -5.547 7.615 1.00 0.00 H new ATOM 0 HA THR A 56 14.263 -8.340 8.382 1.00 0.00 H new ATOM 0 HB THR A 56 15.802 -8.417 6.579 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.808 -5.823 6.666 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.337 -8.271 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.538 -9.058 5.974 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.145 -7.372 5.560 1.00 0.00 H new ATOM 1312 N LEU A 89 -23.866 -7.700 -33.333 1.00 0.00 N ATOM 1313 CA LEU A 89 -22.897 -6.836 -32.661 1.00 0.00 C ATOM 1314 C LEU A 89 -21.561 -7.549 -32.469 1.00 0.00 C ATOM 1315 O LEU A 89 -20.520 -7.060 -32.908 1.00 0.00 O ATOM 1316 CB LEU A 89 -23.439 -6.368 -31.306 1.00 0.00 C ATOM 1317 CG LEU A 89 -22.785 -5.101 -30.748 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -22.811 -3.986 -31.782 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -23.482 -4.663 -29.469 1.00 0.00 C ATOM 0 HA LEU A 89 -22.734 -5.966 -33.297 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -24.511 -6.193 -31.401 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -23.310 -7.173 -30.583 1.00 0.00 H new ATOM 0 HG LEU A 89 -21.744 -5.324 -30.513 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -22.342 -3.094 -31.367 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -22.266 -4.302 -32.672 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -23.844 -3.762 -32.049 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -23.005 -3.761 -29.085 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -24.532 -4.457 -29.679 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -23.409 -5.456 -28.725 1.00 0.00 H new ATOM 1331 N ASN A 90 -21.592 -8.704 -31.808 1.00 0.00 N ATOM 1332 CA ASN A 90 -20.379 -9.479 -31.557 1.00 0.00 C ATOM 1333 C ASN A 90 -19.552 -9.650 -32.831 1.00 0.00 C ATOM 1334 O ASN A 90 -18.332 -9.479 -32.814 1.00 0.00 O ATOM 1335 CB ASN A 90 -20.738 -10.850 -30.980 1.00 0.00 C ATOM 1336 CG ASN A 90 -21.208 -10.766 -29.542 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -21.357 -9.676 -28.988 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -21.445 -11.919 -28.928 1.00 0.00 N ATOM 0 H ASN A 90 -22.444 -9.124 -31.436 1.00 0.00 H new ATOM 0 HA ASN A 90 -19.776 -8.929 -30.834 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -21.520 -11.304 -31.589 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -19.868 -11.505 -31.038 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -21.764 -11.925 -27.959 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -21.308 -12.799 -29.425 1.00 0.00 H new ATOM 1345 N THR A 91 -20.216 -9.996 -33.930 1.00 0.00 N ATOM 1346 CA THR A 91 -19.528 -10.197 -35.204 1.00 0.00 C ATOM 1347 C THR A 91 -18.842 -8.917 -35.699 1.00 0.00 C ATOM 1348 O THR A 91 -18.002 -8.973 -36.597 1.00 0.00 O ATOM 1349 CB THR A 91 -20.515 -10.694 -36.261 1.00 0.00 C ATOM 1350 OG1 THR A 91 -21.738 -9.987 -36.176 1.00 0.00 O ATOM 1351 CG2 THR A 91 -20.829 -12.170 -36.141 1.00 0.00 C ATOM 0 H THR A 91 -21.225 -10.143 -33.966 1.00 0.00 H new ATOM 0 HA THR A 91 -18.753 -10.946 -35.039 1.00 0.00 H new ATOM 0 HB THR A 91 -20.024 -10.521 -37.218 1.00 0.00 H new ATOM 0 HG1 THR A 91 -21.556 -9.031 -36.057 1.00 0.00 H new ATOM 0 HG21 THR A 91 -21.535 -12.456 -36.921 1.00 0.00 H new ATOM 0 HG22 THR A 91 -19.911 -12.747 -36.252 1.00 0.00 H new ATOM 0 HG23 THR A 91 -21.267 -12.370 -35.163 1.00 0.00 H new ATOM 1359 N PHE A 92 -19.190 -7.769 -35.114 1.00 0.00 N ATOM 1360 CA PHE A 92 -18.590 -6.500 -35.512 1.00 0.00 C ATOM 1361 C PHE A 92 -17.262 -6.285 -34.792 1.00 0.00 C ATOM 1362 O PHE A 92 -17.108 -6.665 -33.631 1.00 0.00 O ATOM 1363 CB PHE A 92 -19.547 -5.347 -35.211 1.00 0.00 C ATOM 1364 CG PHE A 92 -20.805 -5.382 -36.032 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -21.781 -6.333 -35.785 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -21.009 -4.465 -37.051 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -22.939 -6.369 -36.537 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -22.165 -4.496 -37.807 1.00 0.00 C ATOM 1369 CZ PHE A 92 -23.131 -5.448 -37.551 1.00 0.00 C ATOM 0 H PHE A 92 -19.881 -7.695 -34.367 1.00 0.00 H new ATOM 0 HA PHE A 92 -18.400 -6.529 -36.585 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -19.812 -5.372 -34.154 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -19.033 -4.403 -35.389 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -21.635 -7.055 -34.995 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -20.256 -3.718 -37.256 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -23.693 -7.115 -36.334 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -22.313 -3.776 -38.598 1.00 0.00 H new ATOM 0 HZ PHE A 92 -24.035 -5.474 -38.141 1.00 0.00 H new ATOM 1379 N THR A 93 -16.302 -5.684 -35.487 1.00 0.00 N ATOM 1380 CA THR A 93 -14.986 -5.433 -34.907 1.00 0.00 C ATOM 1381 C THR A 93 -14.751 -3.941 -34.670 1.00 0.00 C ATOM 1382 O THR A 93 -15.032 -3.426 -33.588 1.00 0.00 O ATOM 1383 CB THR A 93 -13.892 -6.009 -35.810 1.00 0.00 C ATOM 1384 OG1 THR A 93 -13.950 -5.426 -37.100 1.00 0.00 O ATOM 1385 CG2 THR A 93 -13.985 -7.510 -35.980 1.00 0.00 C ATOM 0 H THR A 93 -16.409 -5.362 -36.449 1.00 0.00 H new ATOM 0 HA THR A 93 -14.947 -5.931 -33.938 1.00 0.00 H new ATOM 0 HB THR A 93 -12.952 -5.774 -35.312 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.243 -5.805 -37.662 1.00 0.00 H new ATOM 0 HG21 THR A 93 -13.181 -7.853 -36.631 1.00 0.00 H new ATOM 0 HG22 THR A 93 -13.895 -7.993 -35.007 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.946 -7.767 -36.425 1.00 0.00 H new ATOM 1393 N VAL A 94 -14.231 -3.252 -35.683 1.00 0.00 N ATOM 1394 CA VAL A 94 -13.955 -1.822 -35.576 1.00 0.00 C ATOM 1395 C VAL A 94 -13.974 -1.156 -36.949 1.00 0.00 C ATOM 1396 O VAL A 94 -14.533 -0.073 -37.118 1.00 0.00 O ATOM 1397 CB VAL A 94 -12.588 -1.563 -34.913 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -12.368 -0.072 -34.703 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -12.482 -2.316 -33.595 1.00 0.00 C ATOM 0 H VAL A 94 -13.992 -3.661 -36.587 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.740 -1.393 -34.954 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.807 -1.931 -35.579 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.398 0.090 -34.234 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.396 0.439 -35.665 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.153 0.324 -34.059 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.510 -2.121 -33.142 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.271 -1.982 -32.921 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -12.589 -3.385 -33.777 1.00 0.00 H new ATOM 1409 N GLU A 95 -13.356 -1.813 -37.923 1.00 0.00 N ATOM 1410 CA GLU A 95 -13.296 -1.293 -39.283 1.00 0.00 C ATOM 1411 C GLU A 95 -14.594 -1.572 -40.035 1.00 0.00 C ATOM 1412 O GLU A 95 -14.900 -0.910 -41.028 1.00 0.00 O ATOM 1413 CB GLU A 95 -12.115 -1.908 -40.036 1.00 0.00 C ATOM 1414 CG GLU A 95 -12.100 -3.428 -40.009 1.00 0.00 C ATOM 1415 CD GLU A 95 -11.074 -3.985 -39.041 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -10.663 -3.246 -38.122 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -10.681 -5.159 -39.203 1.00 0.00 O ATOM 0 H GLU A 95 -12.888 -2.710 -37.795 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.159 -0.213 -39.224 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.141 -1.572 -41.073 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.186 -1.536 -39.604 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.090 -3.792 -39.733 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.890 -3.803 -41.011 1.00 0.00 H new ATOM 1424 N GLN A 96 -15.355 -2.553 -39.561 1.00 0.00 N ATOM 1425 CA GLN A 96 -16.615 -2.913 -40.192 1.00 0.00 C ATOM 1426 C GLN A 96 -17.651 -1.831 -39.948 1.00 0.00 C ATOM 1427 O GLN A 96 -18.306 -1.360 -40.873 1.00 0.00 O ATOM 1428 CB GLN A 96 -17.115 -4.257 -39.653 1.00 0.00 C ATOM 1429 CG GLN A 96 -17.098 -5.373 -40.686 1.00 0.00 C ATOM 1430 CD GLN A 96 -18.363 -5.411 -41.523 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -19.203 -6.295 -41.359 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -18.502 -4.450 -42.428 1.00 0.00 N ATOM 0 H GLN A 96 -15.119 -3.112 -38.741 1.00 0.00 H new ATOM 0 HA GLN A 96 -16.453 -3.007 -41.266 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -16.498 -4.550 -38.804 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.132 -4.134 -39.281 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -16.237 -5.244 -41.341 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -16.973 -6.330 -40.180 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -17.780 -3.737 -42.530 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -19.331 -4.425 -43.022 1.00 0.00 H new ATOM 1441 N LEU A 97 -17.781 -1.439 -38.691 1.00 0.00 N ATOM 1442 CA LEU A 97 -18.731 -0.399 -38.304 1.00 0.00 C ATOM 1443 C LEU A 97 -18.476 0.876 -39.092 1.00 0.00 C ATOM 1444 O LEU A 97 -19.353 1.377 -39.796 1.00 0.00 O ATOM 1445 CB LEU A 97 -18.626 -0.091 -36.806 1.00 0.00 C ATOM 1446 CG LEU A 97 -17.361 -0.604 -36.112 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -16.833 0.419 -35.127 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -17.645 -1.918 -35.411 1.00 0.00 C ATOM 0 H LEU A 97 -17.241 -1.824 -37.916 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.733 -0.769 -38.523 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -18.680 0.989 -36.671 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -19.493 -0.519 -36.304 1.00 0.00 H new ATOM 0 HG LEU A 97 -16.596 -0.769 -36.871 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.934 0.032 -34.647 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.593 1.342 -35.655 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -17.591 0.620 -34.370 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -16.738 -2.273 -34.921 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -18.426 -1.771 -34.665 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.975 -2.656 -36.142 1.00 0.00 H new ATOM 1460 N LYS A 98 -17.264 1.392 -38.959 1.00 0.00 N ATOM 1461 CA LYS A 98 -16.867 2.611 -39.647 1.00 0.00 C ATOM 1462 C LYS A 98 -17.076 2.484 -41.155 1.00 0.00 C ATOM 1463 O LYS A 98 -17.427 3.456 -41.823 1.00 0.00 O ATOM 1464 CB LYS A 98 -15.402 2.920 -39.330 1.00 0.00 C ATOM 1465 CG LYS A 98 -15.161 4.337 -38.839 1.00 0.00 C ATOM 1466 CD LYS A 98 -13.771 4.488 -38.238 1.00 0.00 C ATOM 1467 CE LYS A 98 -13.630 3.703 -36.940 1.00 0.00 C ATOM 1468 NZ LYS A 98 -12.211 3.613 -36.499 1.00 0.00 N ATOM 0 H LYS A 98 -16.534 0.982 -38.377 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.492 3.432 -39.296 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.049 2.219 -38.573 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.804 2.750 -40.225 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.279 5.036 -39.667 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.912 4.598 -38.093 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.025 4.143 -38.954 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.569 5.542 -38.049 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.223 4.181 -36.160 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.032 2.699 -37.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.157 3.072 -35.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.649 3.135 -37.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.834 4.570 -36.344 1.00 0.00 H new ATOM 1482 N ALA A 99 -16.867 1.282 -41.687 1.00 0.00 N ATOM 1483 CA ALA A 99 -17.045 1.043 -43.116 1.00 0.00 C ATOM 1484 C ALA A 99 -18.495 0.735 -43.455 1.00 0.00 C ATOM 1485 O ALA A 99 -18.925 0.884 -44.598 1.00 0.00 O ATOM 1486 CB ALA A 99 -16.133 -0.077 -43.588 1.00 0.00 C ATOM 0 H ALA A 99 -16.576 0.463 -41.153 1.00 0.00 H new ATOM 0 HA ALA A 99 -16.772 1.958 -43.641 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.280 -0.240 -44.656 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.094 0.197 -43.403 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.369 -0.992 -43.045 1.00 0.00 H new ATOM 1492 N GLN A 100 -19.235 0.298 -42.454 1.00 0.00 N ATOM 1493 CA GLN A 100 -20.641 -0.048 -42.629 1.00 0.00 C ATOM 1494 C GLN A 100 -21.535 1.173 -42.468 1.00 0.00 C ATOM 1495 O GLN A 100 -22.493 1.353 -43.220 1.00 0.00 O ATOM 1496 CB GLN A 100 -21.056 -1.132 -41.634 1.00 0.00 C ATOM 1497 CG GLN A 100 -20.853 -2.546 -42.154 1.00 0.00 C ATOM 1498 CD GLN A 100 -22.138 -3.168 -42.667 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -22.803 -2.614 -43.542 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -22.495 -4.325 -42.122 1.00 0.00 N ATOM 0 H GLN A 100 -18.887 0.172 -41.503 1.00 0.00 H new ATOM 0 HA GLN A 100 -20.763 -0.430 -43.643 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.485 -1.007 -40.714 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -22.107 -0.995 -41.378 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -20.115 -2.532 -42.956 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -20.446 -3.168 -41.357 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -21.914 -4.749 -41.399 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -23.351 -4.790 -42.426 1.00 0.00 H new ATOM 1509 N LEU A 101 -21.223 2.015 -41.487 1.00 0.00 N ATOM 1510 CA LEU A 101 -22.016 3.213 -41.247 1.00 0.00 C ATOM 1511 C LEU A 101 -22.078 4.049 -42.512 1.00 0.00 C ATOM 1512 O LEU A 101 -23.150 4.462 -42.954 1.00 0.00 O ATOM 1513 CB LEU A 101 -21.413 4.060 -40.122 1.00 0.00 C ATOM 1514 CG LEU A 101 -21.778 3.647 -38.691 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -21.270 4.682 -37.700 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -23.283 3.452 -38.530 1.00 0.00 C ATOM 0 H LEU A 101 -20.435 1.891 -40.852 1.00 0.00 H new ATOM 0 HA LEU A 101 -23.017 2.899 -40.952 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -20.328 4.035 -40.219 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -21.723 5.095 -40.269 1.00 0.00 H new ATOM 0 HG LEU A 101 -21.297 2.691 -38.487 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -21.535 4.377 -36.688 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -20.186 4.763 -37.782 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -21.724 5.649 -37.919 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.504 3.160 -37.503 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -23.797 4.385 -38.761 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -23.624 2.672 -39.211 1.00 0.00 H new ATOM 1528 N THR A 102 -20.909 4.288 -43.091 1.00 0.00 N ATOM 1529 CA THR A 102 -20.814 5.069 -44.312 1.00 0.00 C ATOM 1530 C THR A 102 -21.521 4.357 -45.449 1.00 0.00 C ATOM 1531 O THR A 102 -22.188 4.985 -46.271 1.00 0.00 O ATOM 1532 CB THR A 102 -19.354 5.320 -44.672 1.00 0.00 C ATOM 1533 OG1 THR A 102 -18.508 4.371 -44.046 1.00 0.00 O ATOM 1534 CG2 THR A 102 -18.886 6.695 -44.266 1.00 0.00 C ATOM 0 H THR A 102 -20.015 3.951 -42.733 1.00 0.00 H new ATOM 0 HA THR A 102 -21.300 6.030 -44.146 1.00 0.00 H new ATOM 0 HB THR A 102 -19.296 5.231 -45.757 1.00 0.00 H new ATOM 0 HG1 THR A 102 -18.329 4.651 -43.124 1.00 0.00 H new ATOM 0 HG21 THR A 102 -17.840 6.821 -44.546 1.00 0.00 H new ATOM 0 HG22 THR A 102 -19.490 7.449 -44.771 1.00 0.00 H new ATOM 0 HG23 THR A 102 -18.989 6.811 -43.187 1.00 0.00 H new ATOM 1542 N GLU A 103 -21.379 3.039 -45.487 1.00 0.00 N ATOM 1543 CA GLU A 103 -22.018 2.249 -46.525 1.00 0.00 C ATOM 1544 C GLU A 103 -23.509 2.082 -46.244 1.00 0.00 C ATOM 1545 O GLU A 103 -24.254 1.558 -47.071 1.00 0.00 O ATOM 1546 CB GLU A 103 -21.346 0.880 -46.659 1.00 0.00 C ATOM 1547 CG GLU A 103 -20.368 0.795 -47.819 1.00 0.00 C ATOM 1548 CD GLU A 103 -20.934 0.035 -49.004 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -21.559 -1.024 -48.785 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -20.752 0.499 -50.148 1.00 0.00 O ATOM 0 H GLU A 103 -20.831 2.500 -44.816 1.00 0.00 H new ATOM 0 HA GLU A 103 -21.904 2.784 -47.468 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -20.819 0.651 -45.733 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -22.115 0.118 -46.786 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -20.096 1.802 -48.134 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.453 0.308 -47.483 1.00 0.00 H new ATOM 1557 N ARG A 104 -23.934 2.540 -45.074 1.00 0.00 N ATOM 1558 CA ARG A 104 -25.336 2.453 -44.678 1.00 0.00 C ATOM 1559 C ARG A 104 -26.045 3.792 -44.887 1.00 0.00 C ATOM 1560 O ARG A 104 -27.275 3.857 -44.886 1.00 0.00 O ATOM 1561 CB ARG A 104 -25.447 2.027 -43.212 1.00 0.00 C ATOM 1562 CG ARG A 104 -25.596 0.526 -43.027 1.00 0.00 C ATOM 1563 CD ARG A 104 -26.440 0.197 -41.806 1.00 0.00 C ATOM 1564 NE ARG A 104 -26.983 -1.159 -41.863 1.00 0.00 N ATOM 1565 CZ ARG A 104 -27.743 -1.694 -40.911 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -28.051 -0.994 -39.826 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -28.195 -2.934 -41.042 1.00 0.00 N ATOM 0 H ARG A 104 -23.327 2.977 -44.380 1.00 0.00 H new ATOM 0 HA ARG A 104 -25.820 1.704 -45.305 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -24.560 2.365 -42.675 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -26.303 2.528 -42.760 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -26.055 0.092 -43.916 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -24.611 0.071 -42.923 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -25.834 0.307 -40.907 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -27.259 0.912 -41.728 1.00 0.00 H new ATOM 0 HE ARG A 104 -26.766 -1.729 -42.681 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -27.705 -0.041 -39.719 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -28.634 -1.409 -39.100 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -27.960 -3.477 -41.873 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -28.778 -3.344 -40.312 1.00 0.00 H new ATOM 1581 N GLY A 105 -25.265 4.855 -45.069 1.00 0.00 N ATOM 1582 CA GLY A 105 -25.841 6.171 -45.281 1.00 0.00 C ATOM 1583 C GLY A 105 -26.153 6.893 -43.984 1.00 0.00 C ATOM 1584 O GLY A 105 -27.244 7.439 -43.820 1.00 0.00 O ATOM 0 H GLY A 105 -24.245 4.828 -45.073 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -25.150 6.774 -45.870 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -26.756 6.072 -45.865 1.00 0.00 H new ATOM 1588 N ILE A 106 -25.195 6.900 -43.061 1.00 0.00 N ATOM 1589 CA ILE A 106 -25.382 7.565 -41.777 1.00 0.00 C ATOM 1590 C ILE A 106 -24.107 8.286 -41.341 1.00 0.00 C ATOM 1591 O ILE A 106 -23.211 7.682 -40.753 1.00 0.00 O ATOM 1592 CB ILE A 106 -25.803 6.562 -40.683 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -26.046 7.286 -39.356 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -24.748 5.476 -40.518 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -27.004 6.558 -38.437 1.00 0.00 C ATOM 0 H ILE A 106 -24.285 6.454 -43.178 1.00 0.00 H new ATOM 0 HA ILE A 106 -26.178 8.298 -41.908 1.00 0.00 H new ATOM 0 HB ILE A 106 -26.735 6.088 -40.990 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -25.093 7.418 -38.844 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -26.438 8.282 -39.561 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -25.063 4.778 -39.742 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -24.626 4.941 -41.460 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -23.799 5.931 -40.234 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -27.129 7.128 -37.516 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -27.970 6.449 -38.930 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -26.604 5.572 -38.202 1.00 0.00 H new ATOM 1607 N THR A 107 -24.032 9.586 -41.631 1.00 0.00 N ATOM 1608 CA THR A 107 -22.866 10.383 -41.264 1.00 0.00 C ATOM 1609 C THR A 107 -22.538 10.220 -39.783 1.00 0.00 C ATOM 1610 O THR A 107 -23.378 10.475 -38.919 1.00 0.00 O ATOM 1611 CB THR A 107 -23.108 11.860 -41.588 1.00 0.00 C ATOM 1612 OG1 THR A 107 -24.496 12.135 -41.660 1.00 0.00 O ATOM 1613 CG2 THR A 107 -22.485 12.297 -42.895 1.00 0.00 C ATOM 0 H THR A 107 -24.763 10.105 -42.117 1.00 0.00 H new ATOM 0 HA THR A 107 -22.016 10.026 -41.846 1.00 0.00 H new ATOM 0 HB THR A 107 -22.636 12.415 -40.777 1.00 0.00 H new ATOM 0 HG1 THR A 107 -24.631 13.083 -41.866 1.00 0.00 H new ATOM 0 HG21 THR A 107 -22.695 13.353 -43.063 1.00 0.00 H new ATOM 0 HG22 THR A 107 -21.407 12.143 -42.853 1.00 0.00 H new ATOM 0 HG23 THR A 107 -22.904 11.710 -43.712 1.00 0.00 H new ATOM 1621 N PHE A 108 -21.314 9.790 -39.496 1.00 0.00 N ATOM 1622 CA PHE A 108 -20.879 9.588 -38.118 1.00 0.00 C ATOM 1623 C PHE A 108 -19.655 10.438 -37.798 1.00 0.00 C ATOM 1624 O PHE A 108 -18.847 10.079 -36.940 1.00 0.00 O ATOM 1625 CB PHE A 108 -20.570 8.109 -37.874 1.00 0.00 C ATOM 1626 CG PHE A 108 -19.392 7.603 -38.656 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -19.478 7.427 -40.027 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -18.198 7.302 -38.019 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -18.397 6.960 -40.749 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -17.113 6.835 -38.736 1.00 0.00 C ATOM 1631 CZ PHE A 108 -17.213 6.665 -40.103 1.00 0.00 C ATOM 0 H PHE A 108 -20.606 9.575 -40.198 1.00 0.00 H new ATOM 0 HA PHE A 108 -21.690 9.898 -37.458 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -20.382 7.956 -36.811 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -21.448 7.516 -38.131 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -20.401 7.658 -40.538 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -18.115 7.434 -36.950 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -18.478 6.826 -41.818 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.188 6.603 -38.228 1.00 0.00 H new ATOM 0 HZ PHE A 108 -16.366 6.302 -40.666 1.00 0.00 H new ATOM 1641 N LYS A 109 -19.522 11.568 -38.486 1.00 0.00 N ATOM 1642 CA LYS A 109 -18.395 12.467 -38.267 1.00 0.00 C ATOM 1643 C LYS A 109 -18.368 12.959 -36.823 1.00 0.00 C ATOM 1644 O LYS A 109 -17.306 13.251 -36.276 1.00 0.00 O ATOM 1645 CB LYS A 109 -18.471 13.657 -39.226 1.00 0.00 C ATOM 1646 CG LYS A 109 -17.546 13.529 -40.426 1.00 0.00 C ATOM 1647 CD LYS A 109 -17.989 12.411 -41.355 1.00 0.00 C ATOM 1648 CE LYS A 109 -17.561 11.049 -40.833 1.00 0.00 C ATOM 1649 NZ LYS A 109 -17.148 10.136 -41.934 1.00 0.00 N ATOM 0 H LYS A 109 -20.180 11.882 -39.199 1.00 0.00 H new ATOM 0 HA LYS A 109 -17.476 11.915 -38.461 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -19.497 13.765 -39.578 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -18.223 14.568 -38.682 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -17.526 14.471 -40.973 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.529 13.337 -40.084 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -19.073 12.436 -41.464 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -17.565 12.571 -42.346 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.734 11.172 -40.134 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -18.383 10.599 -40.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.457 9.167 -41.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.585 10.447 -42.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.113 10.155 -42.031 1.00 0.00 H new ATOM 1663 N GLN A 110 -19.545 13.045 -36.211 1.00 0.00 N ATOM 1664 CA GLN A 110 -19.658 13.498 -34.830 1.00 0.00 C ATOM 1665 C GLN A 110 -20.399 12.470 -33.980 1.00 0.00 C ATOM 1666 O GLN A 110 -21.246 11.731 -34.482 1.00 0.00 O ATOM 1667 CB GLN A 110 -20.384 14.844 -34.769 1.00 0.00 C ATOM 1668 CG GLN A 110 -19.822 15.883 -35.725 1.00 0.00 C ATOM 1669 CD GLN A 110 -20.550 17.209 -35.640 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -20.356 17.978 -34.698 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -21.396 17.485 -36.626 1.00 0.00 N ATOM 0 H GLN A 110 -20.434 12.807 -36.650 1.00 0.00 H new ATOM 0 HA GLN A 110 -18.651 13.618 -34.430 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -21.439 14.689 -34.994 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -20.329 15.231 -33.752 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -18.766 16.038 -35.506 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -19.884 15.504 -36.745 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -21.526 16.819 -37.387 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -21.915 18.363 -36.622 1.00 0.00 H new ATOM 1680 N SER A 111 -20.075 12.431 -32.692 1.00 0.00 N ATOM 1681 CA SER A 111 -20.709 11.494 -31.771 1.00 0.00 C ATOM 1682 C SER A 111 -20.383 10.050 -32.144 1.00 0.00 C ATOM 1683 O SER A 111 -21.148 9.135 -31.841 1.00 0.00 O ATOM 1684 CB SER A 111 -22.225 11.700 -31.761 1.00 0.00 C ATOM 1685 OG SER A 111 -22.750 11.565 -30.453 1.00 0.00 O ATOM 0 H SER A 111 -19.377 13.038 -32.262 1.00 0.00 H new ATOM 0 HA SER A 111 -20.316 11.688 -30.773 1.00 0.00 H new ATOM 0 HB2 SER A 111 -22.463 12.690 -32.151 1.00 0.00 H new ATOM 0 HB3 SER A 111 -22.698 10.974 -32.423 1.00 0.00 H new ATOM 0 HG SER A 111 -23.720 11.703 -30.474 1.00 0.00 H new ATOM 1691 N ALA A 112 -19.244 9.852 -32.801 1.00 0.00 N ATOM 1692 CA ALA A 112 -18.822 8.517 -33.209 1.00 0.00 C ATOM 1693 C ALA A 112 -17.303 8.397 -33.213 1.00 0.00 C ATOM 1694 O ALA A 112 -16.633 8.894 -34.118 1.00 0.00 O ATOM 1695 CB ALA A 112 -19.383 8.176 -34.581 1.00 0.00 C ATOM 0 H ALA A 112 -18.598 10.597 -33.062 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.215 7.805 -32.483 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -19.058 7.176 -34.869 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.472 8.207 -34.547 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -19.022 8.900 -35.312 1.00 0.00 H new ATOM 1701 N THR A 113 -16.763 7.731 -32.196 1.00 0.00 N ATOM 1702 CA THR A 113 -15.322 7.542 -32.084 1.00 0.00 C ATOM 1703 C THR A 113 -14.918 6.159 -32.587 1.00 0.00 C ATOM 1704 O THR A 113 -14.450 6.014 -33.716 1.00 0.00 O ATOM 1705 CB THR A 113 -14.875 7.732 -30.633 1.00 0.00 C ATOM 1706 OG1 THR A 113 -15.449 6.746 -29.794 1.00 0.00 O ATOM 1707 CG2 THR A 113 -15.250 9.084 -30.070 1.00 0.00 C ATOM 0 H THR A 113 -17.303 7.313 -31.438 1.00 0.00 H new ATOM 0 HA THR A 113 -14.828 8.289 -32.705 1.00 0.00 H new ATOM 0 HB THR A 113 -13.788 7.647 -30.652 1.00 0.00 H new ATOM 0 HG1 THR A 113 -15.148 6.886 -28.872 1.00 0.00 H new ATOM 0 HG21 THR A 113 -14.906 9.157 -29.038 1.00 0.00 H new ATOM 0 HG22 THR A 113 -14.782 9.868 -30.665 1.00 0.00 H new ATOM 0 HG23 THR A 113 -16.333 9.203 -30.100 1.00 0.00 H new ATOM 1715 N LYS A 114 -15.112 5.144 -31.749 1.00 0.00 N ATOM 1716 CA LYS A 114 -14.774 3.776 -32.125 1.00 0.00 C ATOM 1717 C LYS A 114 -15.541 2.769 -31.277 1.00 0.00 C ATOM 1718 O LYS A 114 -16.012 1.751 -31.783 1.00 0.00 O ATOM 1719 CB LYS A 114 -13.264 3.539 -32.013 1.00 0.00 C ATOM 1720 CG LYS A 114 -12.844 2.110 -32.322 1.00 0.00 C ATOM 1721 CD LYS A 114 -11.360 1.898 -32.071 1.00 0.00 C ATOM 1722 CE LYS A 114 -11.090 0.547 -31.428 1.00 0.00 C ATOM 1723 NZ LYS A 114 -9.750 0.013 -31.799 1.00 0.00 N ATOM 0 H LYS A 114 -15.499 5.243 -30.811 1.00 0.00 H new ATOM 0 HA LYS A 114 -15.067 3.633 -33.165 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.748 4.215 -32.694 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -12.939 3.794 -31.004 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.420 1.419 -31.706 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.075 1.879 -33.362 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.817 1.968 -33.014 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.982 2.691 -31.426 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.156 0.641 -30.344 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.860 -0.161 -31.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.605 -0.909 -31.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.695 -0.101 -32.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.013 0.676 -31.485 1.00 0.00 H new ATOM 1737 N ALA A 115 -15.686 3.060 -29.994 1.00 0.00 N ATOM 1738 CA ALA A 115 -16.425 2.178 -29.108 1.00 0.00 C ATOM 1739 C ALA A 115 -17.917 2.467 -29.202 1.00 0.00 C ATOM 1740 O ALA A 115 -18.749 1.633 -28.843 1.00 0.00 O ATOM 1741 CB ALA A 115 -15.936 2.325 -27.674 1.00 0.00 C ATOM 0 H ALA A 115 -15.305 3.894 -29.547 1.00 0.00 H new ATOM 0 HA ALA A 115 -16.252 1.148 -29.420 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.502 1.656 -27.026 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.877 2.070 -27.623 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -16.078 3.354 -27.345 1.00 0.00 H new ATOM 1747 N GLU A 116 -18.247 3.663 -29.685 1.00 0.00 N ATOM 1748 CA GLU A 116 -19.634 4.076 -29.826 1.00 0.00 C ATOM 1749 C GLU A 116 -20.233 3.605 -31.149 1.00 0.00 C ATOM 1750 O GLU A 116 -21.396 3.203 -31.193 1.00 0.00 O ATOM 1751 CB GLU A 116 -19.743 5.597 -29.704 1.00 0.00 C ATOM 1752 CG GLU A 116 -21.145 6.136 -29.946 1.00 0.00 C ATOM 1753 CD GLU A 116 -22.099 5.809 -28.814 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -21.716 6.002 -27.641 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -23.227 5.358 -29.101 1.00 0.00 O ATOM 0 H GLU A 116 -17.568 4.362 -29.985 1.00 0.00 H new ATOM 0 HA GLU A 116 -20.204 3.609 -29.023 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.416 5.896 -28.708 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.059 6.059 -30.416 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.097 7.217 -30.075 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.534 5.721 -30.876 1.00 0.00 H new ATOM 1762 N LEU A 117 -19.452 3.655 -32.229 1.00 0.00 N ATOM 1763 CA LEU A 117 -19.967 3.223 -33.528 1.00 0.00 C ATOM 1764 C LEU A 117 -19.976 1.705 -33.638 1.00 0.00 C ATOM 1765 O LEU A 117 -20.710 1.145 -34.450 1.00 0.00 O ATOM 1766 CB LEU A 117 -19.235 3.886 -34.716 1.00 0.00 C ATOM 1767 CG LEU A 117 -17.822 3.422 -35.063 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -17.083 4.528 -35.794 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -17.054 3.014 -33.836 1.00 0.00 C ATOM 0 H LEU A 117 -18.486 3.981 -32.233 1.00 0.00 H new ATOM 0 HA LEU A 117 -21.000 3.567 -33.587 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -19.854 3.749 -35.603 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -19.191 4.957 -34.520 1.00 0.00 H new ATOM 0 HG LEU A 117 -17.905 2.547 -35.708 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -16.076 4.192 -36.039 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -17.616 4.777 -36.712 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -17.026 5.410 -35.157 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -16.054 2.690 -34.124 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -16.979 3.862 -33.155 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -17.572 2.194 -33.339 1.00 0.00 H new ATOM 1781 N ILE A 118 -19.192 1.034 -32.797 1.00 0.00 N ATOM 1782 CA ILE A 118 -19.170 -0.421 -32.807 1.00 0.00 C ATOM 1783 C ILE A 118 -20.362 -0.966 -32.024 1.00 0.00 C ATOM 1784 O ILE A 118 -20.863 -2.052 -32.314 1.00 0.00 O ATOM 1785 CB ILE A 118 -17.845 -1.000 -32.246 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -17.868 -2.535 -32.287 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -17.553 -0.500 -30.834 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -18.618 -3.180 -31.137 1.00 0.00 C ATOM 0 H ILE A 118 -18.574 1.469 -32.112 1.00 0.00 H new ATOM 0 HA ILE A 118 -19.239 -0.739 -33.847 1.00 0.00 H new ATOM 0 HB ILE A 118 -17.037 -0.644 -32.886 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -18.321 -2.855 -33.225 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -16.842 -2.902 -32.287 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -16.616 -0.931 -30.482 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -17.472 0.587 -30.842 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -18.363 -0.798 -30.168 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -18.585 -4.264 -31.244 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -18.153 -2.894 -30.193 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -19.656 -2.846 -31.146 1.00 0.00 H new ATOM 1800 N ALA A 119 -20.825 -0.192 -31.043 1.00 0.00 N ATOM 1801 CA ALA A 119 -21.972 -0.582 -30.235 1.00 0.00 C ATOM 1802 C ALA A 119 -23.280 -0.143 -30.889 1.00 0.00 C ATOM 1803 O ALA A 119 -24.311 -0.801 -30.754 1.00 0.00 O ATOM 1804 CB ALA A 119 -21.854 0.002 -28.834 1.00 0.00 C ATOM 0 H ALA A 119 -20.420 0.710 -30.791 1.00 0.00 H new ATOM 0 HA ALA A 119 -21.982 -1.670 -30.162 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -22.718 -0.298 -28.241 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -20.944 -0.367 -28.361 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -21.815 1.090 -28.895 1.00 0.00 H new ATOM 1810 N LEU A 120 -23.225 0.994 -31.579 1.00 0.00 N ATOM 1811 CA LEU A 120 -24.399 1.558 -32.243 1.00 0.00 C ATOM 1812 C LEU A 120 -25.066 0.560 -33.184 1.00 0.00 C ATOM 1813 O LEU A 120 -26.293 0.467 -33.222 1.00 0.00 O ATOM 1814 CB LEU A 120 -24.011 2.818 -33.021 1.00 0.00 C ATOM 1815 CG LEU A 120 -25.108 3.880 -33.118 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -24.921 4.939 -32.043 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -25.114 4.517 -34.500 1.00 0.00 C ATOM 0 H LEU A 120 -22.375 1.546 -31.693 1.00 0.00 H new ATOM 0 HA LEU A 120 -25.118 1.810 -31.464 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -23.135 3.263 -32.549 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -23.716 2.528 -34.030 1.00 0.00 H new ATOM 0 HG LEU A 120 -26.071 3.395 -32.959 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -25.710 5.686 -32.127 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -24.967 4.471 -31.060 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -23.951 5.420 -32.171 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -25.901 5.270 -34.550 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -24.149 4.988 -34.688 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -25.297 3.751 -35.253 1.00 0.00 H new ATOM 1829 N PHE A 121 -24.266 -0.172 -33.952 1.00 0.00 N ATOM 1830 CA PHE A 121 -24.807 -1.144 -34.898 1.00 0.00 C ATOM 1831 C PHE A 121 -25.646 -2.200 -34.188 1.00 0.00 C ATOM 1832 O PHE A 121 -25.161 -3.286 -33.873 1.00 0.00 O ATOM 1833 CB PHE A 121 -23.681 -1.815 -35.679 1.00 0.00 C ATOM 1834 CG PHE A 121 -23.208 -0.997 -36.840 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -23.951 -0.924 -38.008 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -22.022 -0.292 -36.762 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -23.515 -0.165 -39.074 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -21.584 0.467 -37.821 1.00 0.00 C ATOM 1839 CZ PHE A 121 -22.330 0.531 -38.979 1.00 0.00 C ATOM 0 H PHE A 121 -23.248 -0.113 -33.939 1.00 0.00 H new ATOM 0 HA PHE A 121 -25.451 -0.605 -35.593 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -22.843 -2.003 -35.008 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -24.024 -2.785 -36.040 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -24.881 -1.467 -38.084 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -21.432 -0.338 -35.858 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -24.101 -0.117 -39.980 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -20.655 1.013 -37.746 1.00 0.00 H new ATOM 0 HZ PHE A 121 -21.985 1.127 -39.811 1.00 0.00 H new