USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= -0.384 (180deg=-2.73!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 28 SER OG : rot -39:sc= 0.489 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.2) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -60:sc= 1.13 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 74:sc= 1.14 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.289 -11.515 23.581 1.00 0.00 N ATOM 2 CA MET A 1 -4.556 -12.729 23.897 1.00 0.00 C ATOM 3 C MET A 1 -5.475 -13.951 23.854 1.00 0.00 C ATOM 4 O MET A 1 -6.141 -14.267 24.839 1.00 0.00 O ATOM 5 CB MET A 1 -3.937 -12.604 25.291 1.00 0.00 C ATOM 6 CG MET A 1 -2.535 -11.996 25.216 1.00 0.00 C ATOM 7 SD MET A 1 -2.647 -10.221 25.062 1.00 0.00 S ATOM 8 CE MET A 1 -0.933 -9.781 25.299 1.00 0.00 C ATOM 0 H1 MET A 1 -4.918 -11.105 22.700 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.297 -11.740 23.461 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.177 -10.830 24.356 1.00 0.00 H new ATOM 0 HA MET A 1 -3.771 -12.862 23.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.573 -11.983 25.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.886 -13.587 25.760 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.968 -12.257 26.110 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.995 -12.410 24.364 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.823 -8.699 25.233 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.603 -10.120 26.281 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.326 -10.255 24.528 1.00 0.00 H new ATOM 18 N SER A 2 -5.481 -14.606 22.702 1.00 0.00 N ATOM 19 CA SER A 2 -6.308 -15.787 22.518 1.00 0.00 C ATOM 20 C SER A 2 -6.169 -16.304 21.085 1.00 0.00 C ATOM 21 O SER A 2 -5.377 -15.778 20.305 1.00 0.00 O ATOM 22 CB SER A 2 -7.774 -15.488 22.834 1.00 0.00 C ATOM 23 OG SER A 2 -8.280 -16.330 23.866 1.00 0.00 O ATOM 0 H SER A 2 -4.927 -14.342 21.887 1.00 0.00 H new ATOM 0 HA SER A 2 -5.965 -16.556 23.210 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.875 -14.445 23.135 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.373 -15.619 21.933 1.00 0.00 H new ATOM 0 HG SER A 2 -9.218 -16.107 24.040 1.00 0.00 H new ATOM 29 N LEU A 3 -6.952 -17.329 20.781 1.00 0.00 N ATOM 30 CA LEU A 3 -6.926 -17.923 19.455 1.00 0.00 C ATOM 31 C LEU A 3 -7.857 -17.137 18.530 1.00 0.00 C ATOM 32 O LEU A 3 -7.552 -16.942 17.355 1.00 0.00 O ATOM 33 CB LEU A 3 -7.251 -19.416 19.531 1.00 0.00 C ATOM 34 CG LEU A 3 -6.076 -20.371 19.314 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.768 -21.160 20.588 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.329 -21.290 18.117 1.00 0.00 C ATOM 0 H LEU A 3 -7.608 -17.763 21.430 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.925 -17.859 19.028 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.686 -19.623 20.509 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.017 -19.639 18.788 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.192 -19.777 19.082 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.929 -21.831 20.406 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.512 -20.469 21.391 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.643 -21.743 20.876 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.478 -21.958 17.985 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.229 -21.879 18.294 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.460 -20.688 17.218 1.00 0.00 H new ATOM 48 N GLY A 4 -8.976 -16.706 19.096 1.00 0.00 N ATOM 49 CA GLY A 4 -9.954 -15.946 18.337 1.00 0.00 C ATOM 50 C GLY A 4 -9.376 -14.601 17.891 1.00 0.00 C ATOM 51 O GLY A 4 -9.486 -14.231 16.724 1.00 0.00 O ATOM 0 H GLY A 4 -9.226 -16.869 20.071 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.267 -16.519 17.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.843 -15.780 18.945 1.00 0.00 H new ATOM 55 N VAL A 5 -8.774 -13.906 18.845 1.00 0.00 N ATOM 56 CA VAL A 5 -8.179 -12.611 18.566 1.00 0.00 C ATOM 57 C VAL A 5 -7.061 -12.779 17.535 1.00 0.00 C ATOM 58 O VAL A 5 -6.781 -11.864 16.762 1.00 0.00 O ATOM 59 CB VAL A 5 -7.700 -11.963 19.867 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.355 -12.544 20.306 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.621 -10.441 19.724 1.00 0.00 C ATOM 0 H VAL A 5 -8.686 -14.216 19.813 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.919 -11.936 18.136 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.431 -12.189 20.643 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.037 -12.066 21.233 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.457 -13.617 20.467 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.610 -12.363 19.531 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.278 -10.005 20.662 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.921 -10.186 18.928 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.607 -10.047 19.480 1.00 0.00 H new ATOM 71 N LEU A 6 -6.451 -13.956 17.558 1.00 0.00 N ATOM 72 CA LEU A 6 -5.370 -14.256 16.635 1.00 0.00 C ATOM 73 C LEU A 6 -5.892 -14.172 15.199 1.00 0.00 C ATOM 74 O LEU A 6 -5.312 -13.481 14.363 1.00 0.00 O ATOM 75 CB LEU A 6 -4.730 -15.603 16.979 1.00 0.00 C ATOM 76 CG LEU A 6 -3.466 -15.964 16.197 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.965 -17.358 16.578 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.696 -15.830 14.690 1.00 0.00 C ATOM 0 H LEU A 6 -6.685 -14.712 18.201 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.574 -13.517 16.728 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.489 -15.607 18.042 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.470 -16.387 16.816 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.683 -15.255 16.468 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.066 -17.590 16.008 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.736 -17.384 17.643 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.736 -18.095 16.355 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.782 -16.092 14.158 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.499 -16.500 14.384 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.971 -14.802 14.454 1.00 0.00 H new ATOM 90 N ALA A 7 -6.981 -14.887 14.957 1.00 0.00 N ATOM 91 CA ALA A 7 -7.588 -14.902 13.637 1.00 0.00 C ATOM 92 C ALA A 7 -7.962 -13.473 13.236 1.00 0.00 C ATOM 93 O ALA A 7 -7.940 -13.131 12.055 1.00 0.00 O ATOM 94 CB ALA A 7 -8.795 -15.841 13.640 1.00 0.00 C ATOM 0 H ALA A 7 -7.459 -15.460 15.653 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.884 -15.279 12.895 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.250 -15.852 12.650 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.472 -16.848 13.902 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.525 -15.493 14.371 1.00 0.00 H new ATOM 100 N ALA A 8 -8.297 -12.679 14.242 1.00 0.00 N ATOM 101 CA ALA A 8 -8.675 -11.295 14.009 1.00 0.00 C ATOM 102 C ALA A 8 -7.452 -10.510 13.531 1.00 0.00 C ATOM 103 O ALA A 8 -7.581 -9.566 12.753 1.00 0.00 O ATOM 104 CB ALA A 8 -9.281 -10.710 15.285 1.00 0.00 C ATOM 0 H ALA A 8 -8.315 -12.967 15.220 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.433 -11.230 13.229 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.565 -9.672 15.110 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.164 -11.285 15.565 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.548 -10.755 16.090 1.00 0.00 H new ATOM 110 N ALA A 9 -6.292 -10.930 14.015 1.00 0.00 N ATOM 111 CA ALA A 9 -5.047 -10.278 13.647 1.00 0.00 C ATOM 112 C ALA A 9 -4.715 -10.607 12.191 1.00 0.00 C ATOM 113 O ALA A 9 -4.087 -9.809 11.498 1.00 0.00 O ATOM 114 CB ALA A 9 -3.940 -10.711 14.610 1.00 0.00 C ATOM 0 H ALA A 9 -6.188 -11.714 14.659 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.143 -9.195 13.726 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.006 -10.222 14.334 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.211 -10.428 15.627 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.813 -11.792 14.556 1.00 0.00 H new ATOM 120 N ILE A 10 -5.151 -11.785 11.769 1.00 0.00 N ATOM 121 CA ILE A 10 -4.908 -12.230 10.408 1.00 0.00 C ATOM 122 C ILE A 10 -5.903 -11.547 9.467 1.00 0.00 C ATOM 123 O ILE A 10 -5.504 -10.903 8.498 1.00 0.00 O ATOM 124 CB ILE A 10 -4.938 -13.758 10.330 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.531 -14.342 10.471 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.627 -14.228 9.047 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.510 -15.482 11.491 1.00 0.00 C ATOM 0 H ILE A 10 -5.672 -12.445 12.347 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.909 -11.937 10.084 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.527 -14.131 11.168 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.187 -14.708 9.504 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.838 -13.560 10.780 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.635 -15.318 9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.652 -13.857 9.027 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.086 -13.845 8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.498 -15.879 11.572 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.831 -15.107 12.463 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.186 -16.273 11.166 1.00 0.00 H new ATOM 139 N ALA A 11 -7.178 -11.711 9.786 1.00 0.00 N ATOM 140 CA ALA A 11 -8.233 -11.118 8.982 1.00 0.00 C ATOM 141 C ALA A 11 -7.979 -9.616 8.842 1.00 0.00 C ATOM 142 O ALA A 11 -8.456 -8.987 7.899 1.00 0.00 O ATOM 143 CB ALA A 11 -9.592 -11.422 9.617 1.00 0.00 C ATOM 0 H ALA A 11 -7.505 -12.246 10.591 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.238 -11.547 7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.383 -10.977 9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.737 -12.501 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.625 -11.005 10.623 1.00 0.00 H new ATOM 149 N VAL A 12 -7.227 -9.084 9.795 1.00 0.00 N ATOM 150 CA VAL A 12 -6.903 -7.667 9.790 1.00 0.00 C ATOM 151 C VAL A 12 -5.797 -7.405 8.766 1.00 0.00 C ATOM 152 O VAL A 12 -5.912 -6.501 7.940 1.00 0.00 O ATOM 153 CB VAL A 12 -6.532 -7.210 11.202 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.363 -6.223 11.169 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.741 -6.606 11.918 1.00 0.00 C ATOM 0 H VAL A 12 -6.833 -9.609 10.576 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.770 -7.078 9.490 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.214 -8.087 11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.119 -5.914 12.185 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.495 -6.703 10.717 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.641 -5.349 10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.450 -6.289 12.920 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.104 -5.745 11.356 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.532 -7.352 11.989 1.00 0.00 H new ATOM 165 N GLY A 13 -4.750 -8.213 8.854 1.00 0.00 N ATOM 166 CA GLY A 13 -3.624 -8.080 7.945 1.00 0.00 C ATOM 167 C GLY A 13 -4.076 -8.209 6.489 1.00 0.00 C ATOM 168 O GLY A 13 -3.537 -7.542 5.607 1.00 0.00 O ATOM 0 H GLY A 13 -4.658 -8.962 9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.143 -7.114 8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.880 -8.845 8.168 1.00 0.00 H new ATOM 172 N LEU A 14 -5.060 -9.071 6.283 1.00 0.00 N ATOM 173 CA LEU A 14 -5.590 -9.297 4.949 1.00 0.00 C ATOM 174 C LEU A 14 -6.415 -8.081 4.521 1.00 0.00 C ATOM 175 O LEU A 14 -6.385 -7.685 3.357 1.00 0.00 O ATOM 176 CB LEU A 14 -6.364 -10.615 4.895 1.00 0.00 C ATOM 177 CG LEU A 14 -7.532 -10.668 3.909 1.00 0.00 C ATOM 178 CD1 LEU A 14 -7.030 -10.813 2.471 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.519 -11.775 4.286 1.00 0.00 C ATOM 0 H LEU A 14 -5.505 -9.622 7.018 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.778 -9.402 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.666 -11.413 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.747 -10.829 5.893 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.071 -9.723 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.881 -10.848 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.398 -9.961 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.453 -11.733 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.340 -11.791 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.008 -12.738 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.913 -11.586 5.284 1.00 0.00 H new ATOM 191 N GLY A 15 -7.133 -7.524 5.485 1.00 0.00 N ATOM 192 CA GLY A 15 -7.965 -6.362 5.223 1.00 0.00 C ATOM 193 C GLY A 15 -7.108 -5.132 4.917 1.00 0.00 C ATOM 194 O GLY A 15 -7.396 -4.388 3.981 1.00 0.00 O ATOM 0 H GLY A 15 -7.156 -7.856 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.627 -6.567 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.599 -6.162 6.087 1.00 0.00 H new ATOM 198 N ALA A 16 -6.071 -4.957 5.723 1.00 0.00 N ATOM 199 CA ALA A 16 -5.171 -3.830 5.550 1.00 0.00 C ATOM 200 C ALA A 16 -4.318 -4.052 4.299 1.00 0.00 C ATOM 201 O ALA A 16 -3.719 -3.112 3.778 1.00 0.00 O ATOM 202 CB ALA A 16 -4.322 -3.656 6.811 1.00 0.00 C ATOM 0 H ALA A 16 -5.834 -5.577 6.498 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.734 -2.908 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.647 -2.810 6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.973 -3.472 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.740 -4.561 6.986 1.00 0.00 H new ATOM 208 N LEU A 17 -4.290 -5.299 3.854 1.00 0.00 N ATOM 209 CA LEU A 17 -3.521 -5.656 2.674 1.00 0.00 C ATOM 210 C LEU A 17 -4.203 -5.078 1.433 1.00 0.00 C ATOM 211 O LEU A 17 -3.601 -4.297 0.697 1.00 0.00 O ATOM 212 CB LEU A 17 -3.309 -7.170 2.611 1.00 0.00 C ATOM 213 CG LEU A 17 -2.777 -7.717 1.285 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.569 -8.628 1.513 1.00 0.00 C ATOM 215 CD2 LEU A 17 -3.884 -8.421 0.498 1.00 0.00 C ATOM 0 H LEU A 17 -4.788 -6.076 4.289 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.523 -5.220 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.615 -7.453 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.258 -7.659 2.829 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.437 -6.876 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.210 -9.003 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.775 -8.064 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.860 -9.467 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.479 -8.800 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.277 -9.251 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.686 -7.714 0.287 1.00 0.00 H new ATOM 227 N GLY A 18 -5.449 -5.484 1.237 1.00 0.00 N ATOM 228 CA GLY A 18 -6.219 -5.017 0.097 1.00 0.00 C ATOM 229 C GLY A 18 -6.695 -3.578 0.310 1.00 0.00 C ATOM 230 O GLY A 18 -6.952 -2.857 -0.652 1.00 0.00 O ATOM 0 H GLY A 18 -5.945 -6.132 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.610 -5.073 -0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.079 -5.669 -0.058 1.00 0.00 H new ATOM 234 N ALA A 19 -6.797 -3.204 1.577 1.00 0.00 N ATOM 235 CA ALA A 19 -7.238 -1.865 1.928 1.00 0.00 C ATOM 236 C ALA A 19 -6.092 -0.878 1.695 1.00 0.00 C ATOM 237 O ALA A 19 -6.289 0.175 1.091 1.00 0.00 O ATOM 238 CB ALA A 19 -7.731 -1.853 3.377 1.00 0.00 C ATOM 0 H ALA A 19 -6.582 -3.805 2.373 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.072 -1.558 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.062 -0.848 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.563 -2.549 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.920 -2.153 4.040 1.00 0.00 H new ATOM 244 N GLY A 20 -4.920 -1.254 2.186 1.00 0.00 N ATOM 245 CA GLY A 20 -3.743 -0.415 2.039 1.00 0.00 C ATOM 246 C GLY A 20 -3.488 -0.082 0.568 1.00 0.00 C ATOM 247 O GLY A 20 -3.383 1.088 0.202 1.00 0.00 O ATOM 0 H GLY A 20 -4.761 -2.129 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.875 0.506 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.874 -0.924 2.456 1.00 0.00 H new ATOM 251 N ILE A 21 -3.396 -1.131 -0.236 1.00 0.00 N ATOM 252 CA ILE A 21 -3.156 -0.964 -1.660 1.00 0.00 C ATOM 253 C ILE A 21 -4.160 0.042 -2.228 1.00 0.00 C ATOM 254 O ILE A 21 -3.853 0.762 -3.177 1.00 0.00 O ATOM 255 CB ILE A 21 -3.175 -2.320 -2.369 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.300 -2.295 -3.624 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.609 -2.756 -2.678 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.820 -2.169 -3.257 1.00 0.00 C ATOM 0 H ILE A 21 -3.483 -2.100 0.071 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.161 -0.554 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.750 -3.064 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.459 -3.206 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.593 -1.460 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.595 -3.722 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.172 -2.839 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.083 -2.017 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.220 -2.154 -4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.660 -1.245 -2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.524 -3.019 -2.641 1.00 0.00 H new ATOM 270 N GLY A 22 -5.338 0.058 -1.623 1.00 0.00 N ATOM 271 CA GLY A 22 -6.389 0.964 -2.057 1.00 0.00 C ATOM 272 C GLY A 22 -6.077 2.404 -1.644 1.00 0.00 C ATOM 273 O GLY A 22 -6.423 3.346 -2.356 1.00 0.00 O ATOM 0 H GLY A 22 -5.589 -0.541 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.498 0.908 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.341 0.656 -1.625 1.00 0.00 H new ATOM 277 N ASN A 23 -5.426 2.529 -0.497 1.00 0.00 N ATOM 278 CA ASN A 23 -5.063 3.838 0.019 1.00 0.00 C ATOM 279 C ASN A 23 -3.911 4.407 -0.811 1.00 0.00 C ATOM 280 O ASN A 23 -3.840 5.614 -1.035 1.00 0.00 O ATOM 281 CB ASN A 23 -4.598 3.747 1.474 1.00 0.00 C ATOM 282 CG ASN A 23 -4.387 5.141 2.069 1.00 0.00 C ATOM 283 OD1 ASN A 23 -3.286 5.534 2.417 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.500 5.862 2.167 1.00 0.00 N ATOM 0 H ASN A 23 -5.140 1.745 0.090 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.943 4.479 -0.039 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.337 3.204 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.669 3.180 1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.464 6.806 2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.390 5.471 1.856 1.00 0.00 H new ATOM 291 N GLY A 24 -3.037 3.510 -1.245 1.00 0.00 N ATOM 292 CA GLY A 24 -1.892 3.908 -2.045 1.00 0.00 C ATOM 293 C GLY A 24 -2.314 4.247 -3.477 1.00 0.00 C ATOM 294 O GLY A 24 -1.655 5.037 -4.151 1.00 0.00 O ATOM 0 H GLY A 24 -3.099 2.509 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.409 4.773 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.157 3.103 -2.060 1.00 0.00 H new ATOM 298 N LEU A 25 -3.410 3.632 -3.898 1.00 0.00 N ATOM 299 CA LEU A 25 -3.927 3.859 -5.236 1.00 0.00 C ATOM 300 C LEU A 25 -4.618 5.223 -5.287 1.00 0.00 C ATOM 301 O LEU A 25 -4.510 5.941 -6.280 1.00 0.00 O ATOM 302 CB LEU A 25 -4.826 2.698 -5.667 1.00 0.00 C ATOM 303 CG LEU A 25 -4.122 1.365 -5.927 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.052 0.187 -5.634 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.559 1.311 -7.349 1.00 0.00 C ATOM 0 H LEU A 25 -3.954 2.977 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.112 3.887 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.581 2.543 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.353 2.991 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.277 1.286 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.526 -0.748 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.363 0.220 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.931 0.249 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.064 0.353 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.372 1.423 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.840 2.119 -7.487 1.00 0.00 H new ATOM 317 N ILE A 26 -5.313 5.540 -4.204 1.00 0.00 N ATOM 318 CA ILE A 26 -6.021 6.805 -4.112 1.00 0.00 C ATOM 319 C ILE A 26 -5.007 7.950 -4.067 1.00 0.00 C ATOM 320 O ILE A 26 -5.247 9.019 -4.626 1.00 0.00 O ATOM 321 CB ILE A 26 -6.988 6.793 -2.927 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.163 5.848 -3.187 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.457 8.210 -2.588 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.908 6.238 -4.465 1.00 0.00 C ATOM 0 H ILE A 26 -5.401 4.942 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.639 6.961 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.455 6.412 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.799 4.824 -3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.849 5.873 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.143 8.173 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.596 8.826 -2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.966 8.641 -3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.738 5.550 -4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.292 7.254 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.226 6.188 -5.314 1.00 0.00 H new ATOM 336 N VAL A 27 -3.895 7.687 -3.397 1.00 0.00 N ATOM 337 CA VAL A 27 -2.843 8.682 -3.271 1.00 0.00 C ATOM 338 C VAL A 27 -2.088 8.790 -4.598 1.00 0.00 C ATOM 339 O VAL A 27 -1.841 9.890 -5.088 1.00 0.00 O ATOM 340 CB VAL A 27 -1.933 8.335 -2.092 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.933 9.461 -1.822 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.754 8.019 -0.840 1.00 0.00 C ATOM 0 H VAL A 27 -3.699 6.799 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.268 9.663 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.368 7.441 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.298 9.189 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.315 9.618 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.473 10.379 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.083 7.776 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.357 8.886 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.408 7.170 -1.038 1.00 0.00 H new ATOM 352 N SER A 28 -1.743 7.632 -5.141 1.00 0.00 N ATOM 353 CA SER A 28 -1.021 7.582 -6.401 1.00 0.00 C ATOM 354 C SER A 28 -1.844 8.253 -7.503 1.00 0.00 C ATOM 355 O SER A 28 -1.287 8.804 -8.451 1.00 0.00 O ATOM 356 CB SER A 28 -0.690 6.140 -6.790 1.00 0.00 C ATOM 357 OG SER A 28 -1.802 5.480 -7.389 1.00 0.00 O ATOM 0 H SER A 28 -1.950 6.721 -4.732 1.00 0.00 H new ATOM 0 HA SER A 28 -0.082 8.121 -6.278 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.151 6.136 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.375 5.589 -5.904 1.00 0.00 H new ATOM 0 HG SER A 28 -2.625 5.741 -6.926 1.00 0.00 H new ATOM 363 N ARG A 29 -3.158 8.184 -7.341 1.00 0.00 N ATOM 364 CA ARG A 29 -4.063 8.778 -8.310 1.00 0.00 C ATOM 365 C ARG A 29 -3.985 10.304 -8.244 1.00 0.00 C ATOM 366 O ARG A 29 -3.921 10.972 -9.275 1.00 0.00 O ATOM 367 CB ARG A 29 -5.506 8.336 -8.058 1.00 0.00 C ATOM 368 CG ARG A 29 -6.397 8.663 -9.258 1.00 0.00 C ATOM 369 CD ARG A 29 -6.283 7.584 -10.336 1.00 0.00 C ATOM 370 NE ARG A 29 -7.632 7.169 -10.782 1.00 0.00 N ATOM 371 CZ ARG A 29 -7.865 6.169 -11.643 1.00 0.00 C ATOM 372 NH1 ARG A 29 -6.840 5.474 -12.155 1.00 0.00 N ATOM 373 NH2 ARG A 29 -9.122 5.863 -11.991 1.00 0.00 N ATOM 0 H ARG A 29 -3.617 7.726 -6.554 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.758 8.438 -9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.533 7.264 -7.862 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.892 8.833 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.434 8.749 -8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.112 9.629 -9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.712 7.964 -11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.740 6.724 -9.945 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.435 7.676 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.883 5.706 -11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.017 4.713 -12.810 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.902 6.391 -11.601 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.299 5.102 -12.646 1.00 0.00 H new ATOM 387 N THR A 30 -3.991 10.812 -7.020 1.00 0.00 N ATOM 388 CA THR A 30 -3.922 12.248 -6.806 1.00 0.00 C ATOM 389 C THR A 30 -2.533 12.775 -7.171 1.00 0.00 C ATOM 390 O THR A 30 -2.394 13.915 -7.613 1.00 0.00 O ATOM 391 CB THR A 30 -4.316 12.529 -5.354 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.005 13.775 -5.416 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.105 12.817 -4.464 1.00 0.00 C ATOM 0 H THR A 30 -4.043 10.255 -6.167 1.00 0.00 H new ATOM 0 HA THR A 30 -4.618 12.779 -7.456 1.00 0.00 H new ATOM 0 HB THR A 30 -4.865 11.676 -4.955 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.298 14.032 -4.517 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.440 13.010 -3.445 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.436 11.956 -4.470 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.575 13.691 -4.843 1.00 0.00 H new ATOM 401 N ILE A 31 -1.540 11.921 -6.973 1.00 0.00 N ATOM 402 CA ILE A 31 -0.167 12.286 -7.277 1.00 0.00 C ATOM 403 C ILE A 31 0.015 12.353 -8.795 1.00 0.00 C ATOM 404 O ILE A 31 0.746 13.204 -9.299 1.00 0.00 O ATOM 405 CB ILE A 31 0.807 11.333 -6.582 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.903 12.108 -5.847 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.388 10.323 -7.574 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.489 12.406 -4.404 1.00 0.00 C ATOM 0 H ILE A 31 -1.659 10.977 -6.606 1.00 0.00 H new ATOM 0 HA ILE A 31 0.059 13.278 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 31 0.254 10.767 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.828 11.531 -5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.107 13.042 -6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.077 9.658 -7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.580 9.738 -8.013 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.921 10.853 -8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.285 12.957 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.577 13.004 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.309 11.469 -3.876 1.00 0.00 H new ATOM 420 N GLU A 32 -0.663 11.445 -9.480 1.00 0.00 N ATOM 421 CA GLU A 32 -0.585 11.390 -10.930 1.00 0.00 C ATOM 422 C GLU A 32 -1.314 12.586 -11.547 1.00 0.00 C ATOM 423 O GLU A 32 -0.990 13.010 -12.655 1.00 0.00 O ATOM 424 CB GLU A 32 -1.151 10.070 -11.460 1.00 0.00 C ATOM 425 CG GLU A 32 -0.048 9.021 -11.607 1.00 0.00 C ATOM 426 CD GLU A 32 -0.508 7.863 -12.496 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.150 8.159 -13.526 1.00 0.00 O ATOM 428 OE2 GLU A 32 -0.207 6.708 -12.124 1.00 0.00 O ATOM 0 H GLU A 32 -1.269 10.741 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 32 0.465 11.440 -11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.920 9.701 -10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.630 10.237 -12.425 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.842 9.482 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.231 8.641 -10.624 1.00 0.00 H new ATOM 435 N GLY A 33 -2.284 13.095 -10.802 1.00 0.00 N ATOM 436 CA GLY A 33 -3.061 14.233 -11.261 1.00 0.00 C ATOM 437 C GLY A 33 -2.200 15.497 -11.321 1.00 0.00 C ATOM 438 O GLY A 33 -2.069 16.114 -12.376 1.00 0.00 O ATOM 0 H GLY A 33 -2.549 12.740 -9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.473 14.022 -12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.905 14.395 -10.591 1.00 0.00 H new ATOM 442 N ILE A 34 -1.635 15.844 -10.173 1.00 0.00 N ATOM 443 CA ILE A 34 -0.790 17.023 -10.082 1.00 0.00 C ATOM 444 C ILE A 34 0.389 16.875 -11.045 1.00 0.00 C ATOM 445 O ILE A 34 0.994 17.868 -11.447 1.00 0.00 O ATOM 446 CB ILE A 34 -0.373 17.271 -8.631 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.321 16.041 -8.042 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.568 17.715 -7.785 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.819 16.292 -7.857 1.00 0.00 C ATOM 0 H ILE A 34 -1.746 15.330 -9.299 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.341 17.913 -10.387 1.00 0.00 H new ATOM 0 HB ILE A 34 0.351 18.086 -8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.130 15.789 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.171 15.185 -8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.244 17.884 -6.758 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.979 18.638 -8.193 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.333 16.939 -7.801 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.288 15.402 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.272 16.520 -8.822 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.966 17.133 -7.180 1.00 0.00 H new ATOM 461 N ALA A 35 0.682 15.629 -11.386 1.00 0.00 N ATOM 462 CA ALA A 35 1.778 15.339 -12.294 1.00 0.00 C ATOM 463 C ALA A 35 1.321 15.584 -13.733 1.00 0.00 C ATOM 464 O ALA A 35 2.137 15.595 -14.654 1.00 0.00 O ATOM 465 CB ALA A 35 2.260 13.904 -12.071 1.00 0.00 C ATOM 0 H ALA A 35 0.179 14.808 -11.049 1.00 0.00 H new ATOM 0 HA ALA A 35 2.623 16.000 -12.100 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.082 13.686 -12.752 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.602 13.791 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.440 13.211 -12.259 1.00 0.00 H new ATOM 471 N ARG A 36 0.018 15.774 -13.882 1.00 0.00 N ATOM 472 CA ARG A 36 -0.557 16.017 -15.194 1.00 0.00 C ATOM 473 C ARG A 36 -0.002 17.314 -15.785 1.00 0.00 C ATOM 474 O ARG A 36 0.483 17.328 -16.916 1.00 0.00 O ATOM 475 CB ARG A 36 -2.082 16.112 -15.118 1.00 0.00 C ATOM 476 CG ARG A 36 -2.697 14.765 -14.731 1.00 0.00 C ATOM 477 CD ARG A 36 -4.220 14.866 -14.628 1.00 0.00 C ATOM 478 NE ARG A 36 -4.592 15.914 -13.651 1.00 0.00 N ATOM 479 CZ ARG A 36 -5.855 16.259 -13.364 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.874 15.641 -13.976 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.098 17.221 -12.464 1.00 0.00 N ATOM 0 H ARG A 36 -0.655 15.765 -13.116 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.288 15.177 -15.834 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.367 16.869 -14.387 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.478 16.433 -16.081 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.428 14.012 -15.472 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.286 14.434 -13.777 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.644 15.100 -15.604 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.637 13.907 -14.321 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.840 16.404 -13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.689 14.908 -14.660 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.835 15.904 -13.757 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.322 17.691 -11.997 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.059 17.484 -12.245 1.00 0.00 H new ATOM 495 N GLN A 37 -0.090 18.373 -14.994 1.00 0.00 N ATOM 496 CA GLN A 37 0.398 19.672 -15.424 1.00 0.00 C ATOM 497 C GLN A 37 1.737 19.522 -16.150 1.00 0.00 C ATOM 498 O GLN A 37 2.387 18.483 -16.052 1.00 0.00 O ATOM 499 CB GLN A 37 0.522 20.632 -14.239 1.00 0.00 C ATOM 500 CG GLN A 37 -0.769 21.430 -14.044 1.00 0.00 C ATOM 501 CD GLN A 37 -0.482 22.933 -13.999 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.400 23.606 -15.013 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.335 23.419 -12.769 1.00 0.00 N ATOM 0 H GLN A 37 -0.492 18.358 -14.057 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.325 20.098 -16.119 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.747 20.070 -13.333 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.355 21.315 -14.405 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.462 21.212 -14.857 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.256 21.121 -13.119 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.416 22.799 -11.963 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.141 24.411 -12.632 1.00 0.00 H new ATOM 512 N PRO A 38 2.118 20.604 -16.882 1.00 0.00 N ATOM 513 CA PRO A 38 3.367 20.602 -17.624 1.00 0.00 C ATOM 514 C PRO A 38 4.563 20.773 -16.685 1.00 0.00 C ATOM 515 O PRO A 38 5.496 19.972 -16.712 1.00 0.00 O ATOM 516 CB PRO A 38 3.231 21.738 -18.625 1.00 0.00 C ATOM 517 CG PRO A 38 2.113 22.625 -18.100 1.00 0.00 C ATOM 518 CD PRO A 38 1.373 21.851 -17.021 1.00 0.00 C ATOM 0 HA PRO A 38 3.551 19.657 -18.136 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.164 22.296 -18.712 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.993 21.357 -19.618 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.519 23.552 -17.695 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.433 22.901 -18.906 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.349 22.405 -16.082 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.338 21.664 -17.307 1.00 0.00 H new ATOM 526 N GLU A 39 4.495 21.820 -15.877 1.00 0.00 N ATOM 527 CA GLU A 39 5.561 22.106 -14.932 1.00 0.00 C ATOM 528 C GLU A 39 5.779 20.911 -14.001 1.00 0.00 C ATOM 529 O GLU A 39 6.808 20.820 -13.333 1.00 0.00 O ATOM 530 CB GLU A 39 5.260 23.376 -14.133 1.00 0.00 C ATOM 531 CG GLU A 39 6.535 23.947 -13.511 1.00 0.00 C ATOM 532 CD GLU A 39 6.249 24.559 -12.138 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.643 23.842 -11.313 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.643 25.729 -11.944 1.00 0.00 O ATOM 0 H GLU A 39 3.718 22.481 -15.857 1.00 0.00 H new ATOM 0 HA GLU A 39 6.480 22.278 -15.492 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.804 24.121 -14.785 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.536 23.154 -13.349 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.281 23.158 -13.413 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.957 24.705 -14.170 1.00 0.00 H new ATOM 541 N LEU A 40 4.793 20.026 -13.986 1.00 0.00 N ATOM 542 CA LEU A 40 4.864 18.841 -13.148 1.00 0.00 C ATOM 543 C LEU A 40 5.167 17.621 -14.021 1.00 0.00 C ATOM 544 O LEU A 40 4.712 16.516 -13.729 1.00 0.00 O ATOM 545 CB LEU A 40 3.590 18.698 -12.313 1.00 0.00 C ATOM 546 CG LEU A 40 3.363 19.773 -11.248 1.00 0.00 C ATOM 547 CD1 LEU A 40 2.420 20.863 -11.761 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.864 19.153 -9.941 1.00 0.00 C ATOM 0 H LEU A 40 3.941 20.106 -14.541 1.00 0.00 H new ATOM 0 HA LEU A 40 5.680 18.931 -12.431 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.735 18.697 -12.988 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.609 17.725 -11.821 1.00 0.00 H new ATOM 0 HG LEU A 40 4.320 20.249 -11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.276 21.614 -10.985 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.853 21.333 -12.644 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.458 20.420 -12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.711 19.938 -9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.922 18.635 -10.121 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.603 18.444 -9.569 1.00 0.00 H new ATOM 560 N ARG A 41 5.933 17.863 -15.075 1.00 0.00 N ATOM 561 CA ARG A 41 6.302 16.799 -15.992 1.00 0.00 C ATOM 562 C ARG A 41 7.170 15.761 -15.279 1.00 0.00 C ATOM 563 O ARG A 41 7.017 14.560 -15.499 1.00 0.00 O ATOM 564 CB ARG A 41 7.065 17.350 -17.198 1.00 0.00 C ATOM 565 CG ARG A 41 7.828 16.238 -17.919 1.00 0.00 C ATOM 566 CD ARG A 41 6.890 15.096 -18.315 1.00 0.00 C ATOM 567 NE ARG A 41 6.295 15.367 -19.643 1.00 0.00 N ATOM 568 CZ ARG A 41 5.168 14.797 -20.091 1.00 0.00 C ATOM 569 NH1 ARG A 41 4.507 13.923 -19.321 1.00 0.00 N ATOM 570 NH2 ARG A 41 4.702 15.103 -21.310 1.00 0.00 N ATOM 0 H ARG A 41 6.308 18.781 -15.314 1.00 0.00 H new ATOM 0 HA ARG A 41 5.382 16.330 -16.342 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.367 17.824 -17.889 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.762 18.121 -16.870 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.311 16.642 -18.809 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.618 15.856 -17.273 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.439 14.155 -18.339 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.102 14.987 -17.570 1.00 0.00 H new ATOM 0 HE ARG A 41 6.772 16.029 -20.255 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.861 13.691 -18.393 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.649 13.489 -19.662 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.205 15.769 -21.896 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.844 14.670 -21.652 1.00 0.00 H new ATOM 584 N PRO A 42 8.087 16.274 -14.416 1.00 0.00 N ATOM 585 CA PRO A 42 8.980 15.405 -13.668 1.00 0.00 C ATOM 586 C PRO A 42 8.239 14.712 -12.523 1.00 0.00 C ATOM 587 O PRO A 42 8.712 13.708 -11.991 1.00 0.00 O ATOM 588 CB PRO A 42 10.101 16.312 -13.188 1.00 0.00 C ATOM 589 CG PRO A 42 9.561 17.730 -13.284 1.00 0.00 C ATOM 590 CD PRO A 42 8.298 17.690 -14.129 1.00 0.00 C ATOM 0 HA PRO A 42 9.377 14.589 -14.272 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.386 16.071 -12.164 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.992 16.191 -13.804 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.344 18.124 -12.291 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.301 18.391 -13.735 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.450 18.116 -13.593 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.417 18.266 -15.046 1.00 0.00 H new ATOM 598 N VAL A 43 7.091 15.274 -12.178 1.00 0.00 N ATOM 599 CA VAL A 43 6.280 14.723 -11.105 1.00 0.00 C ATOM 600 C VAL A 43 5.861 13.298 -11.470 1.00 0.00 C ATOM 601 O VAL A 43 5.632 12.470 -10.589 1.00 0.00 O ATOM 602 CB VAL A 43 5.090 15.642 -10.823 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.159 15.028 -9.776 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.561 17.032 -10.390 1.00 0.00 C ATOM 0 H VAL A 43 6.702 16.106 -12.622 1.00 0.00 H new ATOM 0 HA VAL A 43 6.856 14.667 -10.181 1.00 0.00 H new ATOM 0 HB VAL A 43 4.526 15.753 -11.749 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.322 15.702 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.783 14.072 -10.139 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.708 14.873 -8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.695 17.665 -10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.159 16.947 -9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.164 17.475 -11.182 1.00 0.00 H new ATOM 614 N LEU A 44 5.773 13.055 -12.769 1.00 0.00 N ATOM 615 CA LEU A 44 5.386 11.744 -13.261 1.00 0.00 C ATOM 616 C LEU A 44 6.279 10.679 -12.621 1.00 0.00 C ATOM 617 O LEU A 44 5.796 9.628 -12.203 1.00 0.00 O ATOM 618 CB LEU A 44 5.400 11.719 -14.791 1.00 0.00 C ATOM 619 CG LEU A 44 4.974 10.404 -15.445 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.450 10.263 -15.451 1.00 0.00 C ATOM 621 CD2 LEU A 44 5.567 10.272 -16.850 1.00 0.00 C ATOM 0 H LEU A 44 5.963 13.744 -13.496 1.00 0.00 H new ATOM 0 HA LEU A 44 4.360 11.517 -12.971 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.744 12.511 -15.153 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.408 11.960 -15.129 1.00 0.00 H new ATOM 0 HG LEU A 44 5.372 9.582 -14.849 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.174 9.319 -15.922 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.079 10.280 -14.426 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.010 11.089 -16.010 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.248 9.328 -17.292 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.221 11.099 -17.470 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.655 10.295 -16.789 1.00 0.00 H new ATOM 633 N GLN A 45 7.567 10.988 -12.565 1.00 0.00 N ATOM 634 CA GLN A 45 8.532 10.071 -11.983 1.00 0.00 C ATOM 635 C GLN A 45 8.223 9.845 -10.502 1.00 0.00 C ATOM 636 O GLN A 45 8.457 8.759 -9.974 1.00 0.00 O ATOM 637 CB GLN A 45 9.960 10.585 -12.173 1.00 0.00 C ATOM 638 CG GLN A 45 10.167 11.118 -13.592 1.00 0.00 C ATOM 639 CD GLN A 45 11.610 10.903 -14.053 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.007 9.820 -14.451 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.370 11.992 -13.979 1.00 0.00 N ATOM 0 H GLN A 45 7.964 11.861 -12.913 1.00 0.00 H new ATOM 0 HA GLN A 45 8.453 9.115 -12.500 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.165 11.375 -11.451 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.669 9.781 -11.976 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.484 10.615 -14.277 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.926 12.180 -13.624 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.975 12.868 -13.636 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.348 11.952 -14.265 1.00 0.00 H new ATOM 650 N THR A 46 7.701 10.888 -9.873 1.00 0.00 N ATOM 651 CA THR A 46 7.358 10.817 -8.463 1.00 0.00 C ATOM 652 C THR A 46 6.124 9.936 -8.258 1.00 0.00 C ATOM 653 O THR A 46 5.996 9.269 -7.233 1.00 0.00 O ATOM 654 CB THR A 46 7.176 12.246 -7.948 1.00 0.00 C ATOM 655 OG1 THR A 46 7.871 12.257 -6.703 1.00 0.00 O ATOM 656 CG2 THR A 46 5.726 12.552 -7.568 1.00 0.00 C ATOM 0 H THR A 46 7.507 11.787 -10.314 1.00 0.00 H new ATOM 0 HA THR A 46 8.154 10.347 -7.886 1.00 0.00 H new ATOM 0 HB THR A 46 7.507 12.951 -8.710 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.806 13.148 -6.300 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.653 13.579 -7.209 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.087 12.427 -8.442 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.404 11.869 -6.782 1.00 0.00 H new ATOM 664 N THR A 47 5.246 9.963 -9.251 1.00 0.00 N ATOM 665 CA THR A 47 4.027 9.175 -9.193 1.00 0.00 C ATOM 666 C THR A 47 4.321 7.711 -9.529 1.00 0.00 C ATOM 667 O THR A 47 3.652 6.809 -9.028 1.00 0.00 O ATOM 668 CB THR A 47 3.003 9.819 -10.129 1.00 0.00 C ATOM 669 OG1 THR A 47 3.386 9.370 -11.426 1.00 0.00 O ATOM 670 CG2 THR A 47 3.152 11.340 -10.203 1.00 0.00 C ATOM 0 H THR A 47 5.355 10.518 -10.100 1.00 0.00 H new ATOM 0 HA THR A 47 3.609 9.167 -8.186 1.00 0.00 H new ATOM 0 HB THR A 47 1.997 9.568 -9.792 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.298 9.671 -11.620 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.401 11.747 -10.881 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.014 11.768 -9.210 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.147 11.591 -10.571 1.00 0.00 H new ATOM 678 N MET A 48 5.323 7.522 -10.375 1.00 0.00 N ATOM 679 CA MET A 48 5.714 6.183 -10.784 1.00 0.00 C ATOM 680 C MET A 48 6.358 5.422 -9.624 1.00 0.00 C ATOM 681 O MET A 48 6.121 4.227 -9.453 1.00 0.00 O ATOM 682 CB MET A 48 6.702 6.273 -11.948 1.00 0.00 C ATOM 683 CG MET A 48 6.074 5.753 -13.242 1.00 0.00 C ATOM 684 SD MET A 48 7.239 5.896 -14.587 1.00 0.00 S ATOM 685 CE MET A 48 6.251 5.247 -15.924 1.00 0.00 C ATOM 0 H MET A 48 5.876 8.273 -10.788 1.00 0.00 H new ATOM 0 HA MET A 48 4.820 5.643 -11.096 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.017 7.308 -12.083 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.596 5.695 -11.716 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.775 4.712 -13.118 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.171 6.319 -13.471 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.831 5.264 -16.847 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.961 4.221 -15.697 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.357 5.859 -16.046 1.00 0.00 H new ATOM 695 N PHE A 49 7.161 6.145 -8.856 1.00 0.00 N ATOM 696 CA PHE A 49 7.841 5.553 -7.717 1.00 0.00 C ATOM 697 C PHE A 49 6.871 5.327 -6.556 1.00 0.00 C ATOM 698 O PHE A 49 7.021 4.373 -5.794 1.00 0.00 O ATOM 699 CB PHE A 49 8.922 6.543 -7.278 1.00 0.00 C ATOM 700 CG PHE A 49 10.295 5.906 -7.055 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.599 5.350 -5.851 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.211 5.895 -8.060 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.874 4.759 -5.644 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.486 5.304 -7.852 1.00 0.00 C ATOM 705 CZ PHE A 49 12.790 4.749 -6.649 1.00 0.00 C ATOM 0 H PHE A 49 7.356 7.136 -9.001 1.00 0.00 H new ATOM 0 HA PHE A 49 8.263 4.587 -7.996 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.013 7.324 -8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.603 7.028 -6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.871 5.358 -5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.969 6.335 -9.016 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.116 4.318 -4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.214 5.296 -8.650 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.759 4.300 -6.491 1.00 0.00 H new ATOM 715 N ILE A 50 5.897 6.220 -6.458 1.00 0.00 N ATOM 716 CA ILE A 50 4.903 6.130 -5.402 1.00 0.00 C ATOM 717 C ILE A 50 3.961 4.960 -5.694 1.00 0.00 C ATOM 718 O ILE A 50 3.519 4.270 -4.776 1.00 0.00 O ATOM 719 CB ILE A 50 4.184 7.469 -5.228 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.259 7.946 -3.776 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.741 7.387 -5.730 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.641 8.520 -3.458 1.00 0.00 C ATOM 0 H ILE A 50 5.775 7.009 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 50 5.381 5.924 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 50 4.695 8.213 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.497 8.705 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.043 7.115 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.253 8.352 -5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.738 7.124 -6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.202 6.626 -5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.667 8.852 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.399 7.752 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.843 9.366 -4.114 1.00 0.00 H new ATOM 734 N GLY A 51 3.681 4.772 -6.975 1.00 0.00 N ATOM 735 CA GLY A 51 2.799 3.698 -7.399 1.00 0.00 C ATOM 736 C GLY A 51 3.373 2.333 -7.013 1.00 0.00 C ATOM 737 O GLY A 51 2.692 1.524 -6.386 1.00 0.00 O ATOM 0 H GLY A 51 4.050 5.346 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.818 3.826 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.656 3.744 -8.479 1.00 0.00 H new ATOM 741 N VAL A 52 4.621 2.119 -7.405 1.00 0.00 N ATOM 742 CA VAL A 52 5.294 0.867 -7.108 1.00 0.00 C ATOM 743 C VAL A 52 5.364 0.677 -5.591 1.00 0.00 C ATOM 744 O VAL A 52 5.008 -0.382 -5.077 1.00 0.00 O ATOM 745 CB VAL A 52 6.670 0.841 -7.777 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.403 -0.467 -7.472 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.549 1.062 -9.286 1.00 0.00 C ATOM 0 H VAL A 52 5.183 2.792 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 52 4.733 0.026 -7.516 1.00 0.00 H new ATOM 0 HB VAL A 52 7.259 1.660 -7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.378 -0.460 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.536 -0.567 -6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.818 -1.308 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.541 1.039 -9.738 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.934 0.274 -9.721 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.086 2.030 -9.476 1.00 0.00 H new ATOM 757 N ALA A 53 5.825 1.720 -4.917 1.00 0.00 N ATOM 758 CA ALA A 53 5.946 1.682 -3.470 1.00 0.00 C ATOM 759 C ALA A 53 4.609 1.255 -2.861 1.00 0.00 C ATOM 760 O ALA A 53 4.578 0.533 -1.866 1.00 0.00 O ATOM 761 CB ALA A 53 6.409 3.048 -2.959 1.00 0.00 C ATOM 0 H ALA A 53 6.119 2.597 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 53 6.695 0.950 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.500 3.019 -1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.377 3.292 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.681 3.808 -3.242 1.00 0.00 H new ATOM 767 N LEU A 54 3.536 1.719 -3.485 1.00 0.00 N ATOM 768 CA LEU A 54 2.199 1.394 -3.018 1.00 0.00 C ATOM 769 C LEU A 54 1.938 -0.098 -3.231 1.00 0.00 C ATOM 770 O LEU A 54 1.195 -0.716 -2.471 1.00 0.00 O ATOM 771 CB LEU A 54 1.163 2.302 -3.684 1.00 0.00 C ATOM 772 CG LEU A 54 0.130 1.603 -4.569 1.00 0.00 C ATOM 773 CD1 LEU A 54 -1.006 1.016 -3.728 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.390 2.546 -5.656 1.00 0.00 C ATOM 0 H LEU A 54 3.566 2.318 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 54 2.112 1.583 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.633 2.849 -2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.691 3.040 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 54 0.621 0.771 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.727 0.525 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.600 0.289 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.502 1.816 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.123 2.024 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.859 3.414 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.441 2.874 -6.281 1.00 0.00 H new ATOM 786 N VAL A 55 2.563 -0.633 -4.269 1.00 0.00 N ATOM 787 CA VAL A 55 2.407 -2.041 -4.593 1.00 0.00 C ATOM 788 C VAL A 55 3.206 -2.881 -3.593 1.00 0.00 C ATOM 789 O VAL A 55 2.874 -4.039 -3.345 1.00 0.00 O ATOM 790 CB VAL A 55 2.816 -2.293 -6.045 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.234 -3.750 -6.253 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.691 -1.904 -7.006 1.00 0.00 C ATOM 0 H VAL A 55 3.179 -0.117 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 55 1.362 -2.339 -4.508 1.00 0.00 H new ATOM 0 HB VAL A 55 3.678 -1.663 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.520 -3.901 -7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.081 -3.981 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.400 -4.407 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.007 -2.093 -8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.803 -2.496 -6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.460 -0.845 -6.887 1.00 0.00 H new ATOM 802 N GLU A 56 4.243 -2.264 -3.047 1.00 0.00 N ATOM 803 CA GLU A 56 5.092 -2.940 -2.080 1.00 0.00 C ATOM 804 C GLU A 56 4.361 -3.086 -0.743 1.00 0.00 C ATOM 805 O GLU A 56 4.892 -3.675 0.197 1.00 0.00 O ATOM 806 CB GLU A 56 6.418 -2.199 -1.902 1.00 0.00 C ATOM 807 CG GLU A 56 7.398 -2.551 -3.023 1.00 0.00 C ATOM 808 CD GLU A 56 8.809 -2.062 -2.692 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.490 -2.773 -1.922 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.175 -0.988 -3.216 1.00 0.00 O ATOM 0 H GLU A 56 4.515 -1.303 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 56 5.319 -3.937 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.240 -1.124 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.856 -2.456 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.410 -3.630 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.063 -2.101 -3.958 1.00 0.00 H new ATOM 817 N ALA A 57 3.155 -2.539 -0.701 1.00 0.00 N ATOM 818 CA ALA A 57 2.347 -2.601 0.504 1.00 0.00 C ATOM 819 C ALA A 57 1.521 -3.888 0.493 1.00 0.00 C ATOM 820 O ALA A 57 1.008 -4.310 1.529 1.00 0.00 O ATOM 821 CB ALA A 57 1.473 -1.348 0.598 1.00 0.00 C ATOM 0 H ALA A 57 2.718 -2.051 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 57 2.981 -2.624 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.866 -1.394 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.108 -0.463 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.821 -1.293 -0.274 1.00 0.00 H new ATOM 827 N LEU A 58 1.417 -4.477 -0.689 1.00 0.00 N ATOM 828 CA LEU A 58 0.661 -5.708 -0.848 1.00 0.00 C ATOM 829 C LEU A 58 1.416 -6.855 -0.173 1.00 0.00 C ATOM 830 O LEU A 58 0.855 -7.566 0.660 1.00 0.00 O ATOM 831 CB LEU A 58 0.353 -5.960 -2.326 1.00 0.00 C ATOM 832 CG LEU A 58 -1.098 -6.312 -2.657 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.069 -5.403 -1.901 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.339 -6.278 -4.168 1.00 0.00 C ATOM 0 H LEU A 58 1.844 -4.125 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.307 -5.628 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.628 -5.069 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.992 -6.770 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.287 -7.332 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.094 -5.675 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.917 -5.521 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.889 -4.365 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.378 -6.532 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.126 -5.279 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.684 -6.999 -4.657 1.00 0.00 H new ATOM 846 N PRO A 59 2.709 -7.004 -0.567 1.00 0.00 N ATOM 847 CA PRO A 59 3.545 -8.052 -0.009 1.00 0.00 C ATOM 848 C PRO A 59 3.983 -7.705 1.415 1.00 0.00 C ATOM 849 O PRO A 59 4.172 -8.593 2.245 1.00 0.00 O ATOM 850 CB PRO A 59 4.712 -8.180 -0.975 1.00 0.00 C ATOM 851 CG PRO A 59 4.729 -6.892 -1.781 1.00 0.00 C ATOM 852 CD PRO A 59 3.406 -6.181 -1.551 1.00 0.00 C ATOM 0 HA PRO A 59 3.019 -9.002 0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.650 -8.317 -0.438 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.588 -9.046 -1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.561 -6.259 -1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.868 -7.107 -2.841 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.560 -5.167 -1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.834 -6.100 -2.475 1.00 0.00 H new ATOM 860 N ILE A 60 4.132 -6.410 1.655 1.00 0.00 N ATOM 861 CA ILE A 60 4.545 -5.934 2.964 1.00 0.00 C ATOM 862 C ILE A 60 3.459 -6.268 3.989 1.00 0.00 C ATOM 863 O ILE A 60 3.733 -6.909 5.002 1.00 0.00 O ATOM 864 CB ILE A 60 4.899 -4.447 2.907 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.290 -4.237 2.306 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.766 -3.797 4.286 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.534 -2.760 1.988 1.00 0.00 C ATOM 0 H ILE A 60 3.974 -5.676 0.965 1.00 0.00 H new ATOM 0 HA ILE A 60 5.454 -6.442 3.284 1.00 0.00 H new ATOM 0 HB ILE A 60 4.185 -3.952 2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.049 -4.592 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.390 -4.830 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.024 -2.740 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.739 -3.898 4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.440 -4.289 4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.530 -2.639 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.789 -2.414 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.457 -2.173 2.903 1.00 0.00 H new ATOM 879 N ILE A 61 2.249 -5.819 3.689 1.00 0.00 N ATOM 880 CA ILE A 61 1.120 -6.063 4.571 1.00 0.00 C ATOM 881 C ILE A 61 0.883 -7.570 4.685 1.00 0.00 C ATOM 882 O ILE A 61 0.604 -8.079 5.770 1.00 0.00 O ATOM 883 CB ILE A 61 -0.107 -5.281 4.100 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.211 -3.791 3.965 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.304 -5.531 5.020 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.754 -3.110 2.992 1.00 0.00 C ATOM 0 H ILE A 61 2.026 -5.288 2.847 1.00 0.00 H new ATOM 0 HA ILE A 61 1.336 -5.698 5.575 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.382 -5.642 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.146 -3.312 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.235 -3.664 3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.163 -4.963 4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.547 -6.594 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.056 -5.215 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.506 -2.051 2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.669 -3.575 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.775 -3.217 3.358 1.00 0.00 H new ATOM 898 N GLY A 62 1.003 -8.243 3.549 1.00 0.00 N ATOM 899 CA GLY A 62 0.805 -9.682 3.507 1.00 0.00 C ATOM 900 C GLY A 62 1.754 -10.394 4.473 1.00 0.00 C ATOM 901 O GLY A 62 1.401 -11.420 5.052 1.00 0.00 O ATOM 0 H GLY A 62 1.235 -7.818 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.227 -9.918 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.971 -10.046 2.493 1.00 0.00 H new ATOM 905 N VAL A 63 2.940 -9.822 4.616 1.00 0.00 N ATOM 906 CA VAL A 63 3.943 -10.389 5.501 1.00 0.00 C ATOM 907 C VAL A 63 3.492 -10.216 6.953 1.00 0.00 C ATOM 908 O VAL A 63 3.713 -11.096 7.784 1.00 0.00 O ATOM 909 CB VAL A 63 5.308 -9.756 5.220 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.248 -9.927 6.415 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.928 -10.334 3.947 1.00 0.00 C ATOM 0 H VAL A 63 3.229 -8.971 4.134 1.00 0.00 H new ATOM 0 HA VAL A 63 4.052 -11.458 5.319 1.00 0.00 H new ATOM 0 HB VAL A 63 5.157 -8.688 5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.211 -9.468 6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.814 -9.446 7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.390 -10.989 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.897 -9.868 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.059 -11.410 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.271 -10.137 3.100 1.00 0.00 H new ATOM 921 N VAL A 64 2.868 -9.077 7.214 1.00 0.00 N ATOM 922 CA VAL A 64 2.384 -8.778 8.551 1.00 0.00 C ATOM 923 C VAL A 64 1.364 -9.840 8.968 1.00 0.00 C ATOM 924 O VAL A 64 1.525 -10.488 10.001 1.00 0.00 O ATOM 925 CB VAL A 64 1.820 -7.357 8.597 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.819 -7.201 9.744 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.944 -6.324 8.707 1.00 0.00 C ATOM 0 H VAL A 64 2.686 -8.350 6.522 1.00 0.00 H new ATOM 0 HA VAL A 64 3.202 -8.812 9.271 1.00 0.00 H new ATOM 0 HB VAL A 64 1.289 -7.177 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.433 -6.182 9.754 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.006 -7.900 9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.316 -7.410 10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.516 -5.322 8.738 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.515 -6.503 9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.603 -6.410 7.843 1.00 0.00 H new ATOM 937 N PHE A 65 0.337 -9.984 8.144 1.00 0.00 N ATOM 938 CA PHE A 65 -0.709 -10.956 8.415 1.00 0.00 C ATOM 939 C PHE A 65 -0.113 -12.325 8.746 1.00 0.00 C ATOM 940 O PHE A 65 -0.556 -12.990 9.681 1.00 0.00 O ATOM 941 CB PHE A 65 -1.551 -11.073 7.143 1.00 0.00 C ATOM 942 CG PHE A 65 -1.792 -12.514 6.687 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.539 -13.354 7.453 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.259 -12.955 5.516 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.763 -14.690 7.030 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.483 -14.292 5.093 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.230 -15.131 5.859 1.00 0.00 C ATOM 0 H PHE A 65 0.207 -9.444 7.288 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.305 -10.633 9.269 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.514 -10.590 7.311 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.056 -10.527 6.340 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.962 -13.004 8.383 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.665 -12.288 4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.357 -15.357 7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.060 -14.642 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.400 -16.148 5.537 1.00 0.00 H new ATOM 957 N SER A 66 0.884 -12.707 7.960 1.00 0.00 N ATOM 958 CA SER A 66 1.545 -13.985 8.158 1.00 0.00 C ATOM 959 C SER A 66 2.273 -13.995 9.504 1.00 0.00 C ATOM 960 O SER A 66 2.213 -14.979 10.239 1.00 0.00 O ATOM 961 CB SER A 66 2.526 -14.279 7.022 1.00 0.00 C ATOM 962 OG SER A 66 1.948 -14.041 5.741 1.00 0.00 O ATOM 0 H SER A 66 1.249 -12.153 7.185 1.00 0.00 H new ATOM 0 HA SER A 66 0.785 -14.767 8.157 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.414 -13.658 7.140 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.853 -15.317 7.085 1.00 0.00 H new ATOM 0 HG SER A 66 1.877 -13.076 5.588 1.00 0.00 H new ATOM 968 N PHE A 67 2.944 -12.888 9.785 1.00 0.00 N ATOM 969 CA PHE A 67 3.683 -12.756 11.030 1.00 0.00 C ATOM 970 C PHE A 67 2.757 -12.917 12.237 1.00 0.00 C ATOM 971 O PHE A 67 3.164 -13.447 13.270 1.00 0.00 O ATOM 972 CB PHE A 67 4.284 -11.349 11.047 1.00 0.00 C ATOM 973 CG PHE A 67 5.772 -11.304 10.697 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.623 -12.225 11.224 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.245 -10.343 9.858 1.00 0.00 C ATOM 976 CE1 PHE A 67 8.005 -12.183 10.899 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.627 -10.301 9.533 1.00 0.00 C ATOM 978 CZ PHE A 67 8.477 -11.222 10.060 1.00 0.00 C ATOM 0 H PHE A 67 2.992 -12.074 9.172 1.00 0.00 H new ATOM 0 HA PHE A 67 4.451 -13.527 11.090 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.737 -10.723 10.343 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.141 -10.916 12.037 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.248 -12.988 11.890 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.569 -9.612 9.439 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.681 -12.914 11.318 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.003 -9.538 8.868 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.528 -11.191 9.812 1.00 0.00 H new ATOM 988 N ILE A 68 1.529 -12.450 12.066 1.00 0.00 N ATOM 989 CA ILE A 68 0.541 -12.536 13.129 1.00 0.00 C ATOM 990 C ILE A 68 0.292 -14.006 13.471 1.00 0.00 C ATOM 991 O ILE A 68 0.425 -14.411 14.625 1.00 0.00 O ATOM 992 CB ILE A 68 -0.726 -11.770 12.746 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.654 -10.317 13.221 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.976 -12.482 13.267 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.550 -9.599 12.609 1.00 0.00 C ATOM 0 H ILE A 68 1.195 -12.011 11.208 1.00 0.00 H new ATOM 0 HA ILE A 68 0.913 -12.057 14.035 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.797 -11.750 11.658 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.571 -9.795 12.947 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.584 -10.289 14.308 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.863 -11.916 12.981 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.030 -13.483 12.838 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.927 -12.555 14.353 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.578 -8.568 12.963 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.467 -10.109 12.905 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.465 -9.607 11.522 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.066 -14.766 12.446 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.335 -16.183 12.623 1.00 0.00 C ATOM 1009 C TYR A 69 0.777 -16.855 13.431 1.00 0.00 C ATOM 1010 O TYR A 69 0.502 -17.599 14.372 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.362 -16.786 11.217 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.977 -18.185 11.152 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.095 -18.483 11.904 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.414 -19.150 10.341 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.674 -19.800 11.842 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -0.993 -20.467 10.279 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.095 -20.727 11.033 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.642 -21.971 10.975 1.00 0.00 O ATOM 0 H TYR A 69 -0.176 -14.427 11.490 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.272 -16.332 13.160 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.923 -16.123 10.559 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.657 -16.830 10.832 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.536 -17.729 12.539 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.461 -18.917 9.753 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.549 -20.046 12.425 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.562 -21.231 9.648 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.125 -22.527 10.356 1.00 0.00 H new ATOM 1028 N LEU A 70 2.008 -16.570 13.036 1.00 0.00 N ATOM 1029 CA LEU A 70 3.162 -17.137 13.712 1.00 0.00 C ATOM 1030 C LEU A 70 3.089 -16.803 15.204 1.00 0.00 C ATOM 1031 O LEU A 70 3.706 -17.479 16.026 1.00 0.00 O ATOM 1032 CB LEU A 70 4.457 -16.675 13.041 1.00 0.00 C ATOM 1033 CG LEU A 70 5.628 -17.659 13.093 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.639 -18.563 11.859 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.956 -16.923 13.277 1.00 0.00 C ATOM 0 H LEU A 70 2.232 -15.953 12.255 1.00 0.00 H new ATOM 0 HA LEU A 70 3.157 -18.224 13.627 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.242 -16.452 11.996 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.772 -15.742 13.508 1.00 0.00 H new ATOM 0 HG LEU A 70 5.495 -18.303 13.963 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.481 -19.253 11.921 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.709 -19.129 11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.735 -17.952 10.961 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.771 -17.646 13.311 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.112 -16.239 12.443 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.933 -16.359 14.209 1.00 0.00 H new ATOM 1047 N GLY A 71 2.330 -15.761 15.507 1.00 0.00 N ATOM 1048 CA GLY A 71 2.168 -15.329 16.885 1.00 0.00 C ATOM 1049 C GLY A 71 2.807 -13.957 17.108 1.00 0.00 C ATOM 1050 O GLY A 71 3.188 -13.620 18.229 1.00 0.00 O ATOM 0 H GLY A 71 1.820 -15.203 14.822 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.108 -15.285 17.134 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.623 -16.059 17.555 1.00 0.00 H new ATOM 1054 N ARG A 72 2.905 -13.202 16.024 1.00 0.00 N ATOM 1055 CA ARG A 72 3.491 -11.874 16.087 1.00 0.00 C ATOM 1056 C ARG A 72 2.435 -10.812 15.774 1.00 0.00 C ATOM 1057 O ARG A 72 2.595 -9.647 16.135 1.00 0.00 O ATOM 1058 CB ARG A 72 4.652 -11.736 15.100 1.00 0.00 C ATOM 1059 CG ARG A 72 5.924 -11.272 15.811 1.00 0.00 C ATOM 1060 CD ARG A 72 7.111 -12.169 15.453 1.00 0.00 C ATOM 1061 NE ARG A 72 8.355 -11.620 16.036 1.00 0.00 N ATOM 1062 CZ ARG A 72 9.023 -10.573 15.532 1.00 0.00 C ATOM 1063 NH1 ARG A 72 8.570 -9.956 14.432 1.00 0.00 N ATOM 1064 NH2 ARG A 72 10.143 -10.144 16.128 1.00 0.00 N ATOM 0 H ARG A 72 2.588 -13.485 15.097 1.00 0.00 H new ATOM 0 HA ARG A 72 3.870 -11.727 17.098 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.833 -12.693 14.610 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.387 -11.023 14.319 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.145 -10.242 15.532 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.767 -11.284 16.890 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.940 -13.179 15.826 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.209 -12.242 14.370 1.00 0.00 H new ATOM 0 HE ARG A 72 8.728 -12.066 16.874 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.717 -10.283 13.978 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.078 -9.159 14.048 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.487 -10.614 16.965 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.652 -9.347 15.745 1.00 0.00 H new TER 1078 ARG A 72