USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 TYR OH : rot 180:sc= -0.27 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.255 K(o=-0.52,f=-0.004) USER MOD Single : A 1 SER N :NH3+ -138:sc= -0.0588 (180deg=-0.617) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 159:sc= -0.14 (180deg=-0.629) USER MOD Single : A 8 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0021) USER MOD Single : A 11 TYR OH : rot 67:sc= 0.574 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.993 K(o=0.99,f=0) USER MOD Single : A 26 THR OG1 : rot 108:sc= -1.23 USER MOD Single : A 38 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.29) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.985 K(o=-0.98,f=-9.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-3.7!) USER MOD Single : A 51 SER OG : rot 73:sc= 0.156 USER MOD Single : A 52 THR OG1 : rot 60:sc= 0.0298 USER MOD Single : A 58 GLN : amide:sc= 0.121 X(o=0.12,f=0.023) USER MOD Single : A 70 GLN : amide:sc= -2.46! K(o=-2.5!,f=-1.3) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.873 24.358 6.533 1.00 0.00 N ATOM 2 CA SER A 1 -16.169 23.639 6.639 1.00 0.00 C ATOM 3 C SER A 1 -16.228 22.477 5.649 1.00 0.00 C ATOM 4 O SER A 1 -16.973 22.525 4.668 1.00 0.00 O ATOM 5 CB SER A 1 -17.329 24.604 6.381 1.00 0.00 C ATOM 6 OG SER A 1 -17.333 25.659 7.327 1.00 0.00 O ATOM 0 H1 SER A 1 -14.524 24.586 7.486 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.180 23.755 6.045 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.007 25.237 5.994 1.00 0.00 H new ATOM 0 HA SER A 1 -16.255 23.237 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.248 25.014 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 1 -18.274 24.063 6.430 1.00 0.00 H new ATOM 0 HG SER A 1 -18.082 26.263 7.140 1.00 0.00 H new ATOM 11 N PRO A 2 -15.438 21.413 5.891 1.00 0.00 N ATOM 12 CA PRO A 2 -15.405 20.235 5.017 1.00 0.00 C ATOM 13 C PRO A 2 -16.775 19.579 4.875 1.00 0.00 C ATOM 14 O PRO A 2 -17.337 19.080 5.850 1.00 0.00 O ATOM 15 CB PRO A 2 -14.426 19.282 5.717 1.00 0.00 C ATOM 16 CG PRO A 2 -14.319 19.787 7.115 1.00 0.00 C ATOM 17 CD PRO A 2 -14.517 21.272 7.029 1.00 0.00 C ATOM 0 HA PRO A 2 -15.106 20.497 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.793 18.256 5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.454 19.283 5.223 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.073 19.328 7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.347 19.546 7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.943 21.677 7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.577 21.796 6.856 1.00 0.00 H new ATOM 25 N ALA A 3 -17.303 19.584 3.656 1.00 0.00 N ATOM 26 CA ALA A 3 -18.607 18.989 3.383 1.00 0.00 C ATOM 27 C ALA A 3 -18.525 17.465 3.380 1.00 0.00 C ATOM 28 O ALA A 3 -17.538 16.888 2.923 1.00 0.00 O ATOM 29 CB ALA A 3 -19.146 19.493 2.054 1.00 0.00 C ATOM 0 H ALA A 3 -16.848 19.994 2.840 1.00 0.00 H new ATOM 0 HA ALA A 3 -19.291 19.288 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -20.119 19.042 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -19.250 20.577 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -18.456 19.222 1.255 1.00 0.00 H new ATOM 35 N ALA A 4 -19.570 16.820 3.892 1.00 0.00 N ATOM 36 CA ALA A 4 -19.617 15.364 3.954 1.00 0.00 C ATOM 37 C ALA A 4 -20.648 14.795 2.983 1.00 0.00 C ATOM 38 O ALA A 4 -20.430 13.745 2.379 1.00 0.00 O ATOM 39 CB ALA A 4 -19.929 14.916 5.373 1.00 0.00 C ATOM 0 H ALA A 4 -20.396 17.284 4.270 1.00 0.00 H new ATOM 0 HA ALA A 4 -18.639 14.982 3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.963 13.827 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -19.154 15.279 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -20.894 15.320 5.678 1.00 0.00 H new ATOM 45 N MET A 5 -21.772 15.493 2.836 1.00 0.00 N ATOM 46 CA MET A 5 -22.835 15.046 1.942 1.00 0.00 C ATOM 47 C MET A 5 -22.894 15.915 0.692 1.00 0.00 C ATOM 48 O MET A 5 -23.170 15.428 -0.405 1.00 0.00 O ATOM 49 CB MET A 5 -24.184 15.073 2.671 1.00 0.00 C ATOM 50 CG MET A 5 -24.942 16.389 2.540 1.00 0.00 C ATOM 51 SD MET A 5 -26.464 16.414 3.505 1.00 0.00 S ATOM 52 CE MET A 5 -25.811 16.343 5.171 1.00 0.00 C ATOM 0 H MET A 5 -21.969 16.367 3.323 1.00 0.00 H new ATOM 0 HA MET A 5 -22.618 14.023 1.636 1.00 0.00 H new ATOM 0 HB2 MET A 5 -24.809 14.268 2.285 1.00 0.00 H new ATOM 0 HB3 MET A 5 -24.017 14.867 3.728 1.00 0.00 H new ATOM 0 HG2 MET A 5 -24.299 17.208 2.862 1.00 0.00 H new ATOM 0 HG3 MET A 5 -25.179 16.564 1.491 1.00 0.00 H new ATOM 0 HE1 MET A 5 -26.558 16.717 5.871 1.00 0.00 H new ATOM 0 HE2 MET A 5 -25.564 15.311 5.421 1.00 0.00 H new ATOM 0 HE3 MET A 5 -24.913 16.957 5.236 1.00 0.00 H new ATOM 62 N GLU A 6 -22.634 17.204 0.873 1.00 0.00 N ATOM 63 CA GLU A 6 -22.657 18.154 -0.233 1.00 0.00 C ATOM 64 C GLU A 6 -21.692 17.727 -1.337 1.00 0.00 C ATOM 65 O GLU A 6 -22.117 17.308 -2.414 1.00 0.00 O ATOM 66 CB GLU A 6 -22.300 19.555 0.267 1.00 0.00 C ATOM 67 CG GLU A 6 -23.061 19.965 1.518 1.00 0.00 C ATOM 68 CD GLU A 6 -22.859 21.426 1.869 1.00 0.00 C ATOM 69 OE1 GLU A 6 -21.884 21.735 2.587 1.00 0.00 O ATOM 70 OE2 GLU A 6 -23.674 22.262 1.426 1.00 0.00 O ATOM 0 H GLU A 6 -22.404 17.616 1.777 1.00 0.00 H new ATOM 0 HA GLU A 6 -23.665 18.171 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -21.230 19.597 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -22.502 20.277 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -24.124 19.774 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -22.738 19.346 2.355 1.00 0.00 H new ATOM 77 N ARG A 7 -20.395 17.835 -1.065 1.00 0.00 N ATOM 78 CA ARG A 7 -19.379 17.455 -2.027 1.00 0.00 C ATOM 79 C ARG A 7 -18.159 16.869 -1.326 1.00 0.00 C ATOM 80 O ARG A 7 -17.487 17.546 -0.549 1.00 0.00 O ATOM 81 CB ARG A 7 -18.967 18.660 -2.885 1.00 0.00 C ATOM 82 CG ARG A 7 -18.538 19.875 -2.075 1.00 0.00 C ATOM 83 CD ARG A 7 -19.699 20.825 -1.823 1.00 0.00 C ATOM 84 NE ARG A 7 -19.275 22.028 -1.116 1.00 0.00 N ATOM 85 CZ ARG A 7 -19.855 23.216 -1.266 1.00 0.00 C ATOM 86 NH1 ARG A 7 -20.873 23.360 -2.104 1.00 0.00 N ATOM 87 NH2 ARG A 7 -19.413 24.261 -0.581 1.00 0.00 N ATOM 0 H ARG A 7 -20.027 18.185 -0.180 1.00 0.00 H new ATOM 0 HA ARG A 7 -19.803 16.691 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -18.147 18.364 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -19.803 18.940 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.123 19.548 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.745 20.403 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.153 21.104 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -20.466 20.314 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.489 21.954 -0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -21.213 22.559 -2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.316 24.272 -2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.628 24.155 0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -19.858 25.172 -0.696 1.00 0.00 H new ATOM 101 N GLN A 8 -17.881 15.601 -1.606 1.00 0.00 N ATOM 102 CA GLN A 8 -16.739 14.921 -1.008 1.00 0.00 C ATOM 103 C GLN A 8 -15.440 15.386 -1.655 1.00 0.00 C ATOM 104 O GLN A 8 -15.405 15.713 -2.841 1.00 0.00 O ATOM 105 CB GLN A 8 -16.894 13.401 -1.138 1.00 0.00 C ATOM 106 CG GLN A 8 -15.579 12.633 -1.221 1.00 0.00 C ATOM 107 CD GLN A 8 -15.779 11.133 -1.339 1.00 0.00 C ATOM 108 OE1 GLN A 8 -14.975 10.436 -1.957 1.00 0.00 O ATOM 109 NE2 GLN A 8 -16.852 10.627 -0.740 1.00 0.00 N ATOM 0 H GLN A 8 -18.430 15.024 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 8 -16.702 15.174 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -17.461 13.033 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -17.483 13.184 -2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.010 12.988 -2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.982 12.847 -0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.493 11.241 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.034 9.624 -0.782 1.00 0.00 H new ATOM 118 N VAL A 9 -14.374 15.414 -0.864 1.00 0.00 N ATOM 119 CA VAL A 9 -13.071 15.843 -1.354 1.00 0.00 C ATOM 120 C VAL A 9 -12.273 14.657 -1.899 1.00 0.00 C ATOM 121 O VAL A 9 -12.477 13.519 -1.474 1.00 0.00 O ATOM 122 CB VAL A 9 -12.269 16.573 -0.246 1.00 0.00 C ATOM 123 CG1 VAL A 9 -10.923 15.907 0.018 1.00 0.00 C ATOM 124 CG2 VAL A 9 -12.081 18.039 -0.609 1.00 0.00 C ATOM 0 H VAL A 9 -14.387 15.145 0.120 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.241 16.546 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.847 16.507 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.395 16.451 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.083 14.877 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.327 15.916 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.516 18.539 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.536 18.114 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.056 18.515 -0.715 1.00 0.00 H new ATOM 134 N PRO A 10 -11.358 14.915 -2.854 1.00 0.00 N ATOM 135 CA PRO A 10 -10.524 13.875 -3.462 1.00 0.00 C ATOM 136 C PRO A 10 -9.977 12.885 -2.438 1.00 0.00 C ATOM 137 O PRO A 10 -9.472 13.280 -1.387 1.00 0.00 O ATOM 138 CB PRO A 10 -9.386 14.671 -4.090 1.00 0.00 C ATOM 139 CG PRO A 10 -9.987 15.994 -4.432 1.00 0.00 C ATOM 140 CD PRO A 10 -11.066 16.250 -3.410 1.00 0.00 C ATOM 0 HA PRO A 10 -11.086 13.264 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.552 14.783 -3.397 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.997 14.172 -4.978 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.233 16.781 -4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.402 15.983 -5.440 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.727 16.939 -2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.951 16.694 -3.867 1.00 0.00 H new ATOM 148 N TYR A 11 -10.085 11.596 -2.753 1.00 0.00 N ATOM 149 CA TYR A 11 -9.604 10.544 -1.870 1.00 0.00 C ATOM 150 C TYR A 11 -8.132 10.750 -1.527 1.00 0.00 C ATOM 151 O TYR A 11 -7.389 11.369 -2.289 1.00 0.00 O ATOM 152 CB TYR A 11 -9.801 9.181 -2.532 1.00 0.00 C ATOM 153 CG TYR A 11 -9.795 8.030 -1.558 1.00 0.00 C ATOM 154 CD1 TYR A 11 -10.967 7.614 -0.943 1.00 0.00 C ATOM 155 CD2 TYR A 11 -8.619 7.363 -1.250 1.00 0.00 C ATOM 156 CE1 TYR A 11 -10.968 6.563 -0.052 1.00 0.00 C ATOM 157 CE2 TYR A 11 -8.610 6.310 -0.358 1.00 0.00 C ATOM 158 CZ TYR A 11 -9.787 5.914 0.239 1.00 0.00 C ATOM 159 OH TYR A 11 -9.784 4.864 1.129 1.00 0.00 O ATOM 0 H TYR A 11 -10.504 11.257 -3.619 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.178 10.583 -0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.747 9.183 -3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.012 9.027 -3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.893 8.122 -1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.695 7.673 -1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.889 6.249 0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.686 5.800 -0.129 1.00 0.00 H new ATOM 0 HH TYR A 11 -10.280 4.110 0.747 1.00 0.00 H new ATOM 169 N THR A 12 -7.715 10.224 -0.379 1.00 0.00 N ATOM 170 CA THR A 12 -6.332 10.354 0.063 1.00 0.00 C ATOM 171 C THR A 12 -5.794 9.029 0.602 1.00 0.00 C ATOM 172 O THR A 12 -5.919 8.742 1.793 1.00 0.00 O ATOM 173 CB THR A 12 -6.193 11.434 1.155 1.00 0.00 C ATOM 174 OG1 THR A 12 -6.680 12.689 0.667 1.00 0.00 O ATOM 175 CG2 THR A 12 -4.742 11.586 1.592 1.00 0.00 C ATOM 0 H THR A 12 -8.315 9.704 0.261 1.00 0.00 H new ATOM 0 HA THR A 12 -5.749 10.649 -0.809 1.00 0.00 H new ATOM 0 HB THR A 12 -6.784 11.122 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.590 13.369 1.367 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.673 12.354 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.381 10.638 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.133 11.875 0.736 1.00 0.00 H new ATOM 183 N PRO A 13 -5.187 8.197 -0.267 1.00 0.00 N ATOM 184 CA PRO A 13 -4.624 6.905 0.136 1.00 0.00 C ATOM 185 C PRO A 13 -3.312 7.066 0.888 1.00 0.00 C ATOM 186 O PRO A 13 -2.708 8.139 0.873 1.00 0.00 O ATOM 187 CB PRO A 13 -4.400 6.204 -1.196 1.00 0.00 C ATOM 188 CG PRO A 13 -4.053 7.323 -2.090 1.00 0.00 C ATOM 189 CD PRO A 13 -4.990 8.435 -1.712 1.00 0.00 C ATOM 0 HA PRO A 13 -5.275 6.357 0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.598 5.468 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.293 5.677 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.013 7.623 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.176 7.043 -3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.558 9.416 -1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.928 8.383 -2.265 1.00 0.00 H new ATOM 197 N CYS A 14 -2.869 5.993 1.535 1.00 0.00 N ATOM 198 CA CYS A 14 -1.629 6.018 2.302 1.00 0.00 C ATOM 199 C CYS A 14 -1.607 7.189 3.273 1.00 0.00 C ATOM 200 O CYS A 14 -2.614 7.870 3.473 1.00 0.00 O ATOM 201 CB CYS A 14 -0.447 6.091 1.348 1.00 0.00 C ATOM 202 SG CYS A 14 1.161 5.691 2.102 1.00 0.00 S ATOM 0 H CYS A 14 -3.351 5.094 1.543 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.562 5.103 2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.624 5.407 0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.397 7.096 0.929 1.00 0.00 H new ATOM 207 N SER A 15 -0.455 7.406 3.882 1.00 0.00 N ATOM 208 CA SER A 15 -0.289 8.480 4.845 1.00 0.00 C ATOM 209 C SER A 15 1.000 9.260 4.593 1.00 0.00 C ATOM 210 O SER A 15 1.518 9.267 3.484 1.00 0.00 O ATOM 211 CB SER A 15 -0.292 7.908 6.263 1.00 0.00 C ATOM 212 OG SER A 15 0.834 7.075 6.482 1.00 0.00 O ATOM 0 H SER A 15 0.385 6.849 3.725 1.00 0.00 H new ATOM 0 HA SER A 15 -1.124 9.172 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.291 8.723 6.987 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.207 7.338 6.426 1.00 0.00 H new ATOM 0 HG SER A 15 0.808 6.724 7.397 1.00 0.00 H new ATOM 218 N GLY A 16 1.462 9.908 5.662 1.00 0.00 N ATOM 219 CA GLY A 16 2.678 10.730 5.702 1.00 0.00 C ATOM 220 C GLY A 16 3.720 10.538 4.595 1.00 0.00 C ATOM 221 O GLY A 16 3.409 10.326 3.432 1.00 0.00 O ATOM 0 H GLY A 16 0.982 9.875 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.373 11.776 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.170 10.549 6.657 1.00 0.00 H new ATOM 225 N LEU A 17 4.972 10.739 4.998 1.00 0.00 N ATOM 226 CA LEU A 17 6.159 10.669 4.131 1.00 0.00 C ATOM 227 C LEU A 17 5.993 9.835 2.854 1.00 0.00 C ATOM 228 O LEU A 17 6.444 10.255 1.788 1.00 0.00 O ATOM 229 CB LEU A 17 7.320 10.084 4.951 1.00 0.00 C ATOM 230 CG LEU A 17 8.731 10.489 4.515 1.00 0.00 C ATOM 231 CD1 LEU A 17 9.120 9.821 3.206 1.00 0.00 C ATOM 232 CD2 LEU A 17 8.823 11.998 4.397 1.00 0.00 C ATOM 0 H LEU A 17 5.202 10.962 5.966 1.00 0.00 H new ATOM 0 HA LEU A 17 6.344 11.689 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.186 10.378 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.250 8.997 4.916 1.00 0.00 H new ATOM 0 HG LEU A 17 9.434 10.150 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.127 10.130 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.093 8.738 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.419 10.115 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.830 12.278 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.104 12.350 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.602 12.453 5.363 1.00 0.00 H new ATOM 244 N TYR A 18 5.351 8.680 2.935 1.00 0.00 N ATOM 245 CA TYR A 18 5.221 7.822 1.753 1.00 0.00 C ATOM 246 C TYR A 18 4.289 8.425 0.698 1.00 0.00 C ATOM 247 O TYR A 18 4.549 8.312 -0.500 1.00 0.00 O ATOM 248 CB TYR A 18 4.727 6.443 2.186 1.00 0.00 C ATOM 249 CG TYR A 18 5.305 6.017 3.516 1.00 0.00 C ATOM 250 CD1 TYR A 18 6.662 5.755 3.653 1.00 0.00 C ATOM 251 CD2 TYR A 18 4.498 5.900 4.641 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.200 5.388 4.871 1.00 0.00 C ATOM 253 CE2 TYR A 18 5.027 5.531 5.863 1.00 0.00 C ATOM 254 CZ TYR A 18 6.378 5.277 5.973 1.00 0.00 C ATOM 255 OH TYR A 18 6.908 4.913 7.189 1.00 0.00 O ATOM 0 H TYR A 18 4.918 8.315 3.784 1.00 0.00 H new ATOM 0 HA TYR A 18 6.202 7.733 1.287 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.639 6.454 2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.993 5.709 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.308 5.840 2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.440 6.101 4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.258 5.189 4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.386 5.442 6.727 1.00 0.00 H new ATOM 0 HH TYR A 18 6.195 4.882 7.861 1.00 0.00 H new ATOM 265 N GLY A 19 3.232 9.089 1.149 1.00 0.00 N ATOM 266 CA GLY A 19 2.303 9.756 0.244 1.00 0.00 C ATOM 267 C GLY A 19 1.642 8.861 -0.807 1.00 0.00 C ATOM 268 O GLY A 19 0.661 9.275 -1.423 1.00 0.00 O ATOM 0 H GLY A 19 2.996 9.180 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.520 10.226 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.836 10.556 -0.270 1.00 0.00 H new ATOM 272 N THR A 20 2.153 7.645 -1.024 1.00 0.00 N ATOM 273 CA THR A 20 1.582 6.764 -2.043 1.00 0.00 C ATOM 274 C THR A 20 1.287 5.370 -1.499 1.00 0.00 C ATOM 275 O THR A 20 1.927 4.911 -0.555 1.00 0.00 O ATOM 276 CB THR A 20 2.529 6.641 -3.255 1.00 0.00 C ATOM 277 OG1 THR A 20 2.922 7.944 -3.701 1.00 0.00 O ATOM 278 CG2 THR A 20 1.861 5.895 -4.402 1.00 0.00 C ATOM 0 H THR A 20 2.947 7.255 -0.517 1.00 0.00 H new ATOM 0 HA THR A 20 0.641 7.218 -2.354 1.00 0.00 H new ATOM 0 HB THR A 20 3.407 6.077 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.524 7.859 -4.469 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.552 5.824 -5.242 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.586 4.893 -4.073 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.966 6.433 -4.714 1.00 0.00 H new ATOM 286 N ALA A 21 0.321 4.695 -2.121 1.00 0.00 N ATOM 287 CA ALA A 21 -0.073 3.354 -1.710 1.00 0.00 C ATOM 288 C ALA A 21 0.241 2.356 -2.819 1.00 0.00 C ATOM 289 O ALA A 21 -0.350 2.415 -3.897 1.00 0.00 O ATOM 290 CB ALA A 21 -1.558 3.330 -1.366 1.00 0.00 C ATOM 0 H ALA A 21 -0.204 5.060 -2.916 1.00 0.00 H new ATOM 0 HA ALA A 21 0.491 3.070 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.844 2.324 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.754 4.027 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.139 3.622 -2.241 1.00 0.00 H new ATOM 296 N GLN A 22 1.162 1.432 -2.552 1.00 0.00 N ATOM 297 CA GLN A 22 1.563 0.450 -3.555 1.00 0.00 C ATOM 298 C GLN A 22 1.588 -0.962 -2.981 1.00 0.00 C ATOM 299 O GLN A 22 1.120 -1.205 -1.870 1.00 0.00 O ATOM 300 CB GLN A 22 2.946 0.802 -4.111 1.00 0.00 C ATOM 301 CG GLN A 22 3.001 2.142 -4.830 1.00 0.00 C ATOM 302 CD GLN A 22 2.391 2.089 -6.218 1.00 0.00 C ATOM 303 OE1 GLN A 22 3.073 1.782 -7.196 1.00 0.00 O ATOM 304 NE2 GLN A 22 1.104 2.399 -6.314 1.00 0.00 N ATOM 0 H GLN A 22 1.641 1.343 -1.656 1.00 0.00 H new ATOM 0 HA GLN A 22 0.825 0.477 -4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.664 0.811 -3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.259 0.018 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.476 2.890 -4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.039 2.466 -4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.576 2.648 -5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.643 2.388 -7.224 1.00 0.00 H new ATOM 313 N CYS A 23 2.141 -1.889 -3.760 1.00 0.00 N ATOM 314 CA CYS A 23 2.239 -3.284 -3.347 1.00 0.00 C ATOM 315 C CYS A 23 3.503 -3.913 -3.921 1.00 0.00 C ATOM 316 O CYS A 23 3.777 -3.792 -5.115 1.00 0.00 O ATOM 317 CB CYS A 23 1.009 -4.063 -3.812 1.00 0.00 C ATOM 318 SG CYS A 23 0.708 -5.595 -2.881 1.00 0.00 S ATOM 0 H CYS A 23 2.529 -1.697 -4.684 1.00 0.00 H new ATOM 0 HA CYS A 23 2.287 -3.323 -2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.132 -3.421 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.125 -4.308 -4.868 1.00 0.00 H new ATOM 323 N CYS A 24 4.269 -4.588 -3.070 1.00 0.00 N ATOM 324 CA CYS A 24 5.512 -5.215 -3.504 1.00 0.00 C ATOM 325 C CYS A 24 5.794 -6.498 -2.724 1.00 0.00 C ATOM 326 O CYS A 24 5.177 -6.760 -1.690 1.00 0.00 O ATOM 327 CB CYS A 24 6.673 -4.236 -3.325 1.00 0.00 C ATOM 328 SG CYS A 24 6.394 -2.600 -4.079 1.00 0.00 S ATOM 0 H CYS A 24 4.053 -4.714 -2.081 1.00 0.00 H new ATOM 0 HA CYS A 24 5.408 -5.477 -4.557 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.862 -4.105 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.573 -4.674 -3.757 1.00 0.00 H new ATOM 333 N ALA A 25 6.733 -7.291 -3.235 1.00 0.00 N ATOM 334 CA ALA A 25 7.123 -8.543 -2.601 1.00 0.00 C ATOM 335 C ALA A 25 8.312 -8.322 -1.679 1.00 0.00 C ATOM 336 O ALA A 25 8.937 -7.262 -1.702 1.00 0.00 O ATOM 337 CB ALA A 25 7.452 -9.588 -3.659 1.00 0.00 C ATOM 0 H ALA A 25 7.241 -7.084 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 25 6.288 -8.907 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.742 -10.519 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.576 -9.762 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.274 -9.231 -4.279 1.00 0.00 H new ATOM 343 N THR A 26 8.621 -9.326 -0.868 1.00 0.00 N ATOM 344 CA THR A 26 9.732 -9.225 0.069 1.00 0.00 C ATOM 345 C THR A 26 10.753 -10.342 -0.142 1.00 0.00 C ATOM 346 O THR A 26 10.429 -11.399 -0.683 1.00 0.00 O ATOM 347 CB THR A 26 9.236 -9.254 1.529 1.00 0.00 C ATOM 348 OG1 THR A 26 10.265 -8.777 2.399 1.00 0.00 O ATOM 349 CG2 THR A 26 8.829 -10.659 1.948 1.00 0.00 C ATOM 0 H THR A 26 8.121 -10.215 -0.840 1.00 0.00 H new ATOM 0 HA THR A 26 10.218 -8.269 -0.124 1.00 0.00 H new ATOM 0 HB THR A 26 8.361 -8.608 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.021 -7.891 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.484 -10.645 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.025 -11.013 1.302 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.686 -11.327 1.860 1.00 0.00 H new ATOM 357 N ASP A 27 11.990 -10.098 0.293 1.00 0.00 N ATOM 358 CA ASP A 27 13.064 -11.074 0.146 1.00 0.00 C ATOM 359 C ASP A 27 13.059 -12.077 1.293 1.00 0.00 C ATOM 360 O ASP A 27 12.120 -12.127 2.088 1.00 0.00 O ATOM 361 CB ASP A 27 14.419 -10.367 0.082 1.00 0.00 C ATOM 362 CG ASP A 27 14.935 -9.973 1.450 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.261 -9.174 2.129 1.00 0.00 O ATOM 364 OD2 ASP A 27 16.011 -10.470 1.844 1.00 0.00 O ATOM 0 H ASP A 27 12.271 -9.231 0.750 1.00 0.00 H new ATOM 0 HA ASP A 27 12.896 -11.616 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.144 -11.022 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.331 -9.476 -0.540 1.00 0.00 H new ATOM 369 N VAL A 28 14.119 -12.871 1.368 1.00 0.00 N ATOM 370 CA VAL A 28 14.251 -13.888 2.403 1.00 0.00 C ATOM 371 C VAL A 28 14.258 -13.294 3.812 1.00 0.00 C ATOM 372 O VAL A 28 13.563 -13.788 4.701 1.00 0.00 O ATOM 373 CB VAL A 28 15.525 -14.727 2.199 1.00 0.00 C ATOM 374 CG1 VAL A 28 15.342 -15.665 1.021 1.00 0.00 C ATOM 375 CG2 VAL A 28 16.738 -13.834 1.993 1.00 0.00 C ATOM 0 H VAL A 28 14.905 -12.829 0.719 1.00 0.00 H new ATOM 0 HA VAL A 28 13.374 -14.528 2.310 1.00 0.00 H new ATOM 0 HB VAL A 28 15.698 -15.320 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.247 -16.256 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.500 -16.330 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.146 -15.084 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.625 -14.452 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.585 -13.211 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.875 -13.198 2.868 1.00 0.00 H new ATOM 385 N LEU A 29 15.036 -12.232 4.017 1.00 0.00 N ATOM 386 CA LEU A 29 15.131 -11.602 5.327 1.00 0.00 C ATOM 387 C LEU A 29 13.945 -10.675 5.594 1.00 0.00 C ATOM 388 O LEU A 29 13.650 -10.351 6.744 1.00 0.00 O ATOM 389 CB LEU A 29 16.444 -10.831 5.433 1.00 0.00 C ATOM 390 CG LEU A 29 17.675 -11.615 4.987 1.00 0.00 C ATOM 391 CD1 LEU A 29 18.893 -10.709 4.948 1.00 0.00 C ATOM 392 CD2 LEU A 29 17.910 -12.795 5.916 1.00 0.00 C ATOM 0 H LEU A 29 15.606 -11.793 3.294 1.00 0.00 H new ATOM 0 HA LEU A 29 15.109 -12.386 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.368 -9.925 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.584 -10.517 6.467 1.00 0.00 H new ATOM 0 HG LEU A 29 17.503 -11.998 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.763 -11.283 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.718 -9.894 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.074 -10.299 5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.791 -13.347 5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.067 -12.433 6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.041 -13.453 5.895 1.00 0.00 H new ATOM 404 N GLY A 30 13.271 -10.248 4.528 1.00 0.00 N ATOM 405 CA GLY A 30 12.118 -9.374 4.679 1.00 0.00 C ATOM 406 C GLY A 30 12.370 -7.949 4.207 1.00 0.00 C ATOM 407 O GLY A 30 11.425 -7.187 4.003 1.00 0.00 O ATOM 0 H GLY A 30 13.502 -10.491 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.280 -9.791 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.822 -9.354 5.728 1.00 0.00 H new ATOM 411 N VAL A 31 13.637 -7.578 4.043 1.00 0.00 N ATOM 412 CA VAL A 31 13.981 -6.236 3.589 1.00 0.00 C ATOM 413 C VAL A 31 14.341 -6.231 2.105 1.00 0.00 C ATOM 414 O VAL A 31 15.404 -6.718 1.718 1.00 0.00 O ATOM 415 CB VAL A 31 15.160 -5.654 4.396 1.00 0.00 C ATOM 416 CG1 VAL A 31 15.502 -4.253 3.911 1.00 0.00 C ATOM 417 CG2 VAL A 31 14.839 -5.647 5.884 1.00 0.00 C ATOM 0 H VAL A 31 14.438 -8.185 4.217 1.00 0.00 H new ATOM 0 HA VAL A 31 13.100 -5.614 3.747 1.00 0.00 H new ATOM 0 HB VAL A 31 16.031 -6.290 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.336 -3.860 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.780 -4.290 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.635 -3.604 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.683 -5.233 6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.954 -5.037 6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.650 -6.667 6.220 1.00 0.00 H new ATOM 427 N ALA A 32 13.455 -5.668 1.282 1.00 0.00 N ATOM 428 CA ALA A 32 13.679 -5.590 -0.160 1.00 0.00 C ATOM 429 C ALA A 32 12.497 -4.937 -0.871 1.00 0.00 C ATOM 430 O ALA A 32 11.427 -4.762 -0.290 1.00 0.00 O ATOM 431 CB ALA A 32 13.925 -6.975 -0.739 1.00 0.00 C ATOM 0 H ALA A 32 12.574 -5.259 1.592 1.00 0.00 H new ATOM 0 HA ALA A 32 14.562 -4.972 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.090 -6.896 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.804 -7.415 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.058 -7.608 -0.550 1.00 0.00 H new ATOM 437 N ASP A 33 12.706 -4.584 -2.135 1.00 0.00 N ATOM 438 CA ASP A 33 11.668 -3.962 -2.951 1.00 0.00 C ATOM 439 C ASP A 33 11.557 -4.688 -4.290 1.00 0.00 C ATOM 440 O ASP A 33 12.030 -4.200 -5.317 1.00 0.00 O ATOM 441 CB ASP A 33 11.983 -2.477 -3.167 1.00 0.00 C ATOM 442 CG ASP A 33 10.892 -1.758 -3.932 1.00 0.00 C ATOM 443 OD1 ASP A 33 9.960 -1.235 -3.285 1.00 0.00 O ATOM 444 OD2 ASP A 33 10.970 -1.713 -5.178 1.00 0.00 O ATOM 0 H ASP A 33 13.593 -4.719 -2.620 1.00 0.00 H new ATOM 0 HA ASP A 33 10.713 -4.038 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.123 -1.994 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.924 -2.384 -3.709 1.00 0.00 H new ATOM 449 N LEU A 34 10.931 -5.862 -4.263 1.00 0.00 N ATOM 450 CA LEU A 34 10.773 -6.685 -5.460 1.00 0.00 C ATOM 451 C LEU A 34 9.360 -6.594 -6.034 1.00 0.00 C ATOM 452 O LEU A 34 8.387 -6.510 -5.291 1.00 0.00 O ATOM 453 CB LEU A 34 11.081 -8.141 -5.114 1.00 0.00 C ATOM 454 CG LEU A 34 12.136 -8.328 -4.025 1.00 0.00 C ATOM 455 CD1 LEU A 34 12.101 -9.745 -3.476 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.514 -8.001 -4.568 1.00 0.00 C ATOM 0 H LEU A 34 10.523 -6.267 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 34 11.466 -6.313 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.159 -8.628 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.416 -8.652 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 34 11.911 -7.643 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.861 -9.854 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.118 -9.946 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.299 -10.452 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.257 -8.138 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.743 -8.663 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.534 -6.966 -4.910 1.00 0.00 H new ATOM 468 N ASP A 35 9.263 -6.610 -7.363 1.00 0.00 N ATOM 469 CA ASP A 35 7.975 -6.567 -8.054 1.00 0.00 C ATOM 470 C ASP A 35 7.047 -5.509 -7.465 1.00 0.00 C ATOM 471 O ASP A 35 6.192 -5.814 -6.634 1.00 0.00 O ATOM 472 CB ASP A 35 7.299 -7.940 -7.994 1.00 0.00 C ATOM 473 CG ASP A 35 5.999 -7.977 -8.772 1.00 0.00 C ATOM 474 OD1 ASP A 35 6.054 -8.051 -10.018 1.00 0.00 O ATOM 475 OD2 ASP A 35 4.925 -7.932 -8.135 1.00 0.00 O ATOM 0 H ASP A 35 10.069 -6.653 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 35 8.170 -6.298 -9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.978 -8.694 -8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.105 -8.201 -6.954 1.00 0.00 H new ATOM 480 N CYS A 36 7.216 -4.269 -7.903 1.00 0.00 N ATOM 481 CA CYS A 36 6.381 -3.175 -7.421 1.00 0.00 C ATOM 482 C CYS A 36 5.428 -2.685 -8.511 1.00 0.00 C ATOM 483 O CYS A 36 5.845 -2.419 -9.638 1.00 0.00 O ATOM 484 CB CYS A 36 7.250 -2.022 -6.922 1.00 0.00 C ATOM 485 SG CYS A 36 7.999 -2.329 -5.292 1.00 0.00 S ATOM 0 H CYS A 36 7.920 -3.995 -8.588 1.00 0.00 H new ATOM 0 HA CYS A 36 5.782 -3.551 -6.592 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.042 -1.834 -7.647 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.644 -1.117 -6.870 1.00 0.00 H new ATOM 490 N ALA A 37 4.145 -2.571 -8.166 1.00 0.00 N ATOM 491 CA ALA A 37 3.132 -2.119 -9.113 1.00 0.00 C ATOM 492 C ALA A 37 1.922 -1.543 -8.387 1.00 0.00 C ATOM 493 O ALA A 37 1.914 -1.435 -7.161 1.00 0.00 O ATOM 494 CB ALA A 37 2.708 -3.268 -10.014 1.00 0.00 C ATOM 0 H ALA A 37 3.785 -2.786 -7.236 1.00 0.00 H new ATOM 0 HA ALA A 37 3.567 -1.329 -9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.951 -2.919 -10.717 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.573 -3.636 -10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.295 -4.073 -9.407 1.00 0.00 H new ATOM 500 N ASN A 38 0.902 -1.172 -9.154 1.00 0.00 N ATOM 501 CA ASN A 38 -0.317 -0.604 -8.586 1.00 0.00 C ATOM 502 C ASN A 38 -1.218 -1.709 -8.023 1.00 0.00 C ATOM 503 O ASN A 38 -1.444 -2.725 -8.679 1.00 0.00 O ATOM 504 CB ASN A 38 -1.079 0.202 -9.657 1.00 0.00 C ATOM 505 CG ASN A 38 -1.885 -0.688 -10.585 1.00 0.00 C ATOM 506 OD1 ASN A 38 -3.063 -0.954 -10.340 1.00 0.00 O ATOM 507 ND2 ASN A 38 -1.255 -1.159 -11.656 1.00 0.00 N ATOM 0 H ASN A 38 0.895 -1.254 -10.171 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.036 0.064 -7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.746 0.911 -9.168 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.369 0.785 -10.243 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.748 -1.765 -12.312 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.279 -0.914 -11.822 1.00 0.00 H new ATOM 514 N PRO A 39 -1.743 -1.524 -6.793 1.00 0.00 N ATOM 515 CA PRO A 39 -2.619 -2.501 -6.154 1.00 0.00 C ATOM 516 C PRO A 39 -4.090 -2.262 -6.500 1.00 0.00 C ATOM 517 O PRO A 39 -4.631 -1.196 -6.206 1.00 0.00 O ATOM 518 CB PRO A 39 -2.367 -2.242 -4.673 1.00 0.00 C ATOM 519 CG PRO A 39 -2.092 -0.775 -4.586 1.00 0.00 C ATOM 520 CD PRO A 39 -1.525 -0.352 -5.922 1.00 0.00 C ATOM 0 HA PRO A 39 -2.418 -3.524 -6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.231 -2.519 -4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.522 -2.826 -4.307 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.006 -0.224 -4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.387 -0.562 -3.783 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.032 0.532 -6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.466 -0.104 -5.845 1.00 0.00 H new ATOM 528 N PRO A 40 -4.764 -3.246 -7.128 1.00 0.00 N ATOM 529 CA PRO A 40 -6.163 -3.109 -7.514 1.00 0.00 C ATOM 530 C PRO A 40 -7.131 -3.604 -6.443 1.00 0.00 C ATOM 531 O PRO A 40 -7.176 -4.795 -6.134 1.00 0.00 O ATOM 532 CB PRO A 40 -6.220 -4.009 -8.729 1.00 0.00 C ATOM 533 CG PRO A 40 -5.321 -5.150 -8.376 1.00 0.00 C ATOM 534 CD PRO A 40 -4.233 -4.570 -7.499 1.00 0.00 C ATOM 0 HA PRO A 40 -6.457 -2.073 -7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.237 -4.348 -8.927 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.876 -3.492 -9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.870 -5.931 -7.850 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.899 -5.605 -9.272 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.051 -5.190 -6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.287 -4.488 -8.034 1.00 0.00 H new ATOM 542 N ALA A 41 -7.908 -2.679 -5.881 1.00 0.00 N ATOM 543 CA ALA A 41 -8.894 -3.018 -4.861 1.00 0.00 C ATOM 544 C ALA A 41 -9.714 -1.798 -4.471 1.00 0.00 C ATOM 545 O ALA A 41 -9.509 -0.703 -4.996 1.00 0.00 O ATOM 546 CB ALA A 41 -8.216 -3.607 -3.634 1.00 0.00 C ATOM 0 H ALA A 41 -7.872 -1.687 -6.117 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.567 -3.765 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.969 -3.853 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.675 -4.511 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.517 -2.880 -3.220 1.00 0.00 H new ATOM 552 N THR A 42 -10.645 -1.995 -3.546 1.00 0.00 N ATOM 553 CA THR A 42 -11.466 -0.910 -3.046 1.00 0.00 C ATOM 554 C THR A 42 -11.015 -0.555 -1.637 1.00 0.00 C ATOM 555 O THR A 42 -11.531 -1.088 -0.654 1.00 0.00 O ATOM 556 CB THR A 42 -12.951 -1.295 -3.024 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.359 -1.752 -4.320 1.00 0.00 O ATOM 558 CG2 THR A 42 -13.799 -0.106 -2.611 1.00 0.00 C ATOM 0 H THR A 42 -10.848 -2.903 -3.128 1.00 0.00 H new ATOM 0 HA THR A 42 -11.349 -0.054 -3.711 1.00 0.00 H new ATOM 0 HB THR A 42 -13.091 -2.097 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.308 -1.997 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.850 -0.395 -2.600 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.503 0.224 -1.615 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.654 0.708 -3.321 1.00 0.00 H new ATOM 566 N LEU A 43 -10.046 0.350 -1.545 1.00 0.00 N ATOM 567 CA LEU A 43 -9.501 0.753 -0.252 1.00 0.00 C ATOM 568 C LEU A 43 -10.570 1.409 0.620 1.00 0.00 C ATOM 569 O LEU A 43 -11.169 2.412 0.232 1.00 0.00 O ATOM 570 CB LEU A 43 -8.311 1.706 -0.432 1.00 0.00 C ATOM 571 CG LEU A 43 -7.241 1.254 -1.437 1.00 0.00 C ATOM 572 CD1 LEU A 43 -5.976 2.084 -1.273 1.00 0.00 C ATOM 573 CD2 LEU A 43 -6.928 -0.229 -1.280 1.00 0.00 C ATOM 0 H LEU A 43 -9.623 0.817 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.154 -0.149 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.692 2.677 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.835 1.850 0.538 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.636 1.409 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.227 1.752 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.205 3.135 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.588 1.960 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.167 -0.519 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.559 -0.418 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.833 -0.812 -1.451 1.00 0.00 H new ATOM 585 N ALA A 44 -10.805 0.833 1.798 1.00 0.00 N ATOM 586 CA ALA A 44 -11.801 1.365 2.725 1.00 0.00 C ATOM 587 C ALA A 44 -11.174 1.746 4.064 1.00 0.00 C ATOM 588 O ALA A 44 -11.593 2.713 4.700 1.00 0.00 O ATOM 589 CB ALA A 44 -12.923 0.362 2.935 1.00 0.00 C ATOM 0 H ALA A 44 -10.320 -0.000 2.132 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.215 2.270 2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.656 0.775 3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.405 0.151 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.514 -0.561 3.347 1.00 0.00 H new ATOM 595 N ASN A 45 -10.167 0.984 4.486 1.00 0.00 N ATOM 596 CA ASN A 45 -9.492 1.247 5.752 1.00 0.00 C ATOM 597 C ASN A 45 -8.142 0.532 5.815 1.00 0.00 C ATOM 598 O ASN A 45 -7.733 -0.121 4.856 1.00 0.00 O ATOM 599 CB ASN A 45 -10.379 0.834 6.934 1.00 0.00 C ATOM 600 CG ASN A 45 -10.384 -0.667 7.200 1.00 0.00 C ATOM 601 OD1 ASN A 45 -9.422 -1.211 7.738 1.00 0.00 O ATOM 602 ND2 ASN A 45 -11.479 -1.342 6.848 1.00 0.00 N ATOM 0 H ASN A 45 -9.803 0.183 3.971 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.307 2.319 5.818 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.039 1.352 7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.400 1.164 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.538 -2.345 7.023 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.257 -0.855 6.403 1.00 0.00 H new ATOM 609 N ALA A 46 -7.455 0.668 6.950 1.00 0.00 N ATOM 610 CA ALA A 46 -6.145 0.048 7.144 1.00 0.00 C ATOM 611 C ALA A 46 -6.159 -1.438 6.799 1.00 0.00 C ATOM 612 O ALA A 46 -5.441 -1.883 5.904 1.00 0.00 O ATOM 613 CB ALA A 46 -5.672 0.248 8.577 1.00 0.00 C ATOM 0 H ALA A 46 -7.786 1.205 7.752 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.450 0.538 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.696 -0.219 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.595 1.314 8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.386 -0.208 9.263 1.00 0.00 H new ATOM 619 N THR A 47 -6.973 -2.202 7.518 1.00 0.00 N ATOM 620 CA THR A 47 -7.077 -3.633 7.293 1.00 0.00 C ATOM 621 C THR A 47 -7.526 -3.926 5.869 1.00 0.00 C ATOM 622 O THR A 47 -7.080 -4.896 5.254 1.00 0.00 O ATOM 623 CB THR A 47 -8.061 -4.266 8.290 1.00 0.00 C ATOM 624 OG1 THR A 47 -7.524 -4.201 9.616 1.00 0.00 O ATOM 625 CG2 THR A 47 -8.356 -5.710 7.929 1.00 0.00 C ATOM 0 H THR A 47 -7.572 -1.849 8.264 1.00 0.00 H new ATOM 0 HA THR A 47 -6.089 -4.069 7.444 1.00 0.00 H new ATOM 0 HB THR A 47 -8.994 -3.704 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.157 -4.605 10.246 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.055 -6.130 8.652 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.795 -5.753 6.932 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.430 -6.285 7.943 1.00 0.00 H new ATOM 633 N HIS A 48 -8.408 -3.082 5.349 1.00 0.00 N ATOM 634 CA HIS A 48 -8.904 -3.248 3.992 1.00 0.00 C ATOM 635 C HIS A 48 -7.753 -3.108 3.005 1.00 0.00 C ATOM 636 O HIS A 48 -7.732 -3.756 1.958 1.00 0.00 O ATOM 637 CB HIS A 48 -9.988 -2.216 3.694 1.00 0.00 C ATOM 638 CG HIS A 48 -11.061 -2.725 2.783 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.393 -2.759 3.138 1.00 0.00 N ATOM 640 CD2 HIS A 48 -10.996 -3.219 1.523 1.00 0.00 C ATOM 641 CE1 HIS A 48 -13.102 -3.250 2.138 1.00 0.00 C ATOM 642 NE2 HIS A 48 -12.278 -3.536 1.146 1.00 0.00 N ATOM 0 H HIS A 48 -8.793 -2.278 5.846 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.340 -4.242 3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.441 -1.895 4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.528 -1.336 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.104 -3.341 0.927 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.172 -3.393 2.132 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.550 -3.929 0.245 1.00 0.00 H new ATOM 651 N PHE A 49 -6.796 -2.252 3.355 1.00 0.00 N ATOM 652 CA PHE A 49 -5.621 -2.029 2.524 1.00 0.00 C ATOM 653 C PHE A 49 -4.756 -3.284 2.508 1.00 0.00 C ATOM 654 O PHE A 49 -4.131 -3.609 1.499 1.00 0.00 O ATOM 655 CB PHE A 49 -4.820 -0.831 3.049 1.00 0.00 C ATOM 656 CG PHE A 49 -3.611 -0.493 2.221 1.00 0.00 C ATOM 657 CD1 PHE A 49 -3.710 -0.339 0.847 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.372 -0.327 2.821 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.599 -0.023 0.088 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.258 -0.012 2.069 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.370 0.139 0.700 1.00 0.00 C ATOM 0 H PHE A 49 -6.814 -1.700 4.213 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.940 -1.808 1.505 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.474 0.040 3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.501 -1.040 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.667 -0.468 0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.277 -0.446 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.691 0.097 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.300 0.116 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.499 0.383 0.109 1.00 0.00 H new ATOM 671 N GLU A 50 -4.725 -3.985 3.641 1.00 0.00 N ATOM 672 CA GLU A 50 -3.958 -5.218 3.756 1.00 0.00 C ATOM 673 C GLU A 50 -4.578 -6.303 2.882 1.00 0.00 C ATOM 674 O GLU A 50 -3.873 -7.053 2.205 1.00 0.00 O ATOM 675 CB GLU A 50 -3.919 -5.683 5.216 1.00 0.00 C ATOM 676 CG GLU A 50 -3.225 -7.021 5.413 1.00 0.00 C ATOM 677 CD GLU A 50 -3.280 -7.499 6.851 1.00 0.00 C ATOM 678 OE1 GLU A 50 -4.292 -8.124 7.231 1.00 0.00 O ATOM 679 OE2 GLU A 50 -2.310 -7.249 7.597 1.00 0.00 O ATOM 0 H GLU A 50 -5.223 -3.718 4.490 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.939 -5.029 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.410 -4.928 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.939 -5.754 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.691 -7.766 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.184 -6.936 5.102 1.00 0.00 H new ATOM 686 N SER A 51 -5.905 -6.377 2.908 1.00 0.00 N ATOM 687 CA SER A 51 -6.648 -7.340 2.140 1.00 0.00 C ATOM 688 C SER A 51 -6.452 -7.124 0.640 1.00 0.00 C ATOM 689 O SER A 51 -6.719 -8.015 -0.166 1.00 0.00 O ATOM 690 CB SER A 51 -8.123 -7.199 2.509 1.00 0.00 C ATOM 691 OG SER A 51 -8.332 -7.449 3.888 1.00 0.00 O ATOM 0 H SER A 51 -6.490 -5.760 3.471 1.00 0.00 H new ATOM 0 HA SER A 51 -6.291 -8.344 2.369 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.468 -6.195 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.717 -7.895 1.916 1.00 0.00 H new ATOM 0 HG SER A 51 -7.986 -6.697 4.413 1.00 0.00 H new ATOM 697 N THR A 52 -5.982 -5.934 0.276 1.00 0.00 N ATOM 698 CA THR A 52 -5.752 -5.591 -1.124 1.00 0.00 C ATOM 699 C THR A 52 -4.559 -6.349 -1.696 1.00 0.00 C ATOM 700 O THR A 52 -4.595 -6.813 -2.835 1.00 0.00 O ATOM 701 CB THR A 52 -5.513 -4.077 -1.295 1.00 0.00 C ATOM 702 OG1 THR A 52 -6.704 -3.352 -0.970 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.082 -3.748 -2.718 1.00 0.00 C ATOM 0 H THR A 52 -5.752 -5.189 0.934 1.00 0.00 H new ATOM 0 HA THR A 52 -6.651 -5.879 -1.669 1.00 0.00 H new ATOM 0 HB THR A 52 -4.713 -3.782 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.956 -3.536 -0.041 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.920 -2.674 -2.810 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.156 -4.275 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.860 -4.059 -3.415 1.00 0.00 H new ATOM 711 N CYS A 53 -3.504 -6.469 -0.901 1.00 0.00 N ATOM 712 CA CYS A 53 -2.296 -7.159 -1.337 1.00 0.00 C ATOM 713 C CYS A 53 -2.377 -8.657 -1.080 1.00 0.00 C ATOM 714 O CYS A 53 -1.822 -9.449 -1.838 1.00 0.00 O ATOM 715 CB CYS A 53 -1.068 -6.573 -0.642 1.00 0.00 C ATOM 716 SG CYS A 53 -0.497 -5.002 -1.362 1.00 0.00 S ATOM 0 H CYS A 53 -3.460 -6.098 0.048 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.205 -7.010 -2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.298 -6.417 0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.256 -7.299 -0.686 1.00 0.00 H new ATOM 721 N ALA A 54 -3.083 -9.046 -0.025 1.00 0.00 N ATOM 722 CA ALA A 54 -3.223 -10.454 0.315 1.00 0.00 C ATOM 723 C ALA A 54 -4.088 -11.143 -0.723 1.00 0.00 C ATOM 724 O ALA A 54 -4.071 -12.365 -0.870 1.00 0.00 O ATOM 725 CB ALA A 54 -3.824 -10.602 1.700 1.00 0.00 C ATOM 0 H ALA A 54 -3.566 -8.407 0.607 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.239 -10.924 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.923 -11.660 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.174 -10.122 2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.807 -10.131 1.723 1.00 0.00 H new ATOM 731 N ALA A 55 -4.845 -10.324 -1.435 1.00 0.00 N ATOM 732 CA ALA A 55 -5.740 -10.788 -2.472 1.00 0.00 C ATOM 733 C ALA A 55 -4.986 -11.385 -3.657 1.00 0.00 C ATOM 734 O ALA A 55 -5.405 -12.396 -4.223 1.00 0.00 O ATOM 735 CB ALA A 55 -6.601 -9.629 -2.926 1.00 0.00 C ATOM 0 H ALA A 55 -4.853 -9.312 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.362 -11.583 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.281 -9.966 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.178 -9.252 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.965 -8.834 -3.315 1.00 0.00 H new ATOM 741 N ILE A 56 -3.871 -10.758 -4.030 1.00 0.00 N ATOM 742 CA ILE A 56 -3.076 -11.229 -5.163 1.00 0.00 C ATOM 743 C ILE A 56 -1.838 -12.014 -4.728 1.00 0.00 C ATOM 744 O ILE A 56 -1.055 -12.455 -5.569 1.00 0.00 O ATOM 745 CB ILE A 56 -2.643 -10.061 -6.074 1.00 0.00 C ATOM 746 CG1 ILE A 56 -2.020 -8.932 -5.246 1.00 0.00 C ATOM 747 CG2 ILE A 56 -3.834 -9.551 -6.874 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.527 -7.767 -6.081 1.00 0.00 C ATOM 0 H ILE A 56 -3.500 -9.928 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.726 -11.902 -5.721 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.887 -10.424 -6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.757 -8.569 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.187 -9.333 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.517 -8.727 -7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.230 -10.357 -7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.609 -9.203 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.099 -7.007 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.766 -8.116 -6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.361 -7.340 -6.637 1.00 0.00 H new ATOM 760 N GLY A 57 -1.659 -12.187 -3.422 1.00 0.00 N ATOM 761 CA GLY A 57 -0.512 -12.939 -2.931 1.00 0.00 C ATOM 762 C GLY A 57 0.701 -12.066 -2.642 1.00 0.00 C ATOM 763 O GLY A 57 1.831 -12.450 -2.946 1.00 0.00 O ATOM 0 H GLY A 57 -2.280 -11.825 -2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.796 -13.468 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.240 -13.695 -3.667 1.00 0.00 H new ATOM 767 N GLN A 58 0.470 -10.893 -2.058 1.00 0.00 N ATOM 768 CA GLN A 58 1.554 -9.972 -1.726 1.00 0.00 C ATOM 769 C GLN A 58 1.272 -9.254 -0.407 1.00 0.00 C ATOM 770 O GLN A 58 0.317 -9.587 0.296 1.00 0.00 O ATOM 771 CB GLN A 58 1.759 -8.958 -2.855 1.00 0.00 C ATOM 772 CG GLN A 58 2.694 -9.458 -3.950 1.00 0.00 C ATOM 773 CD GLN A 58 2.696 -8.570 -5.181 1.00 0.00 C ATOM 774 OE1 GLN A 58 2.908 -9.041 -6.298 1.00 0.00 O ATOM 775 NE2 GLN A 58 2.458 -7.277 -4.984 1.00 0.00 N ATOM 0 H GLN A 58 -0.459 -10.557 -1.805 1.00 0.00 H new ATOM 0 HA GLN A 58 2.470 -10.551 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.792 -8.714 -3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.161 -8.035 -2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.707 -9.522 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.400 -10.467 -4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.287 -6.928 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.446 -6.634 -5.776 1.00 0.00 H new ATOM 784 N ARG A 59 2.105 -8.269 -0.073 1.00 0.00 N ATOM 785 CA ARG A 59 1.941 -7.521 1.174 1.00 0.00 C ATOM 786 C ARG A 59 1.723 -6.032 0.899 1.00 0.00 C ATOM 787 O ARG A 59 2.185 -5.505 -0.112 1.00 0.00 O ATOM 788 CB ARG A 59 3.164 -7.712 2.077 1.00 0.00 C ATOM 789 CG ARG A 59 3.403 -9.157 2.494 1.00 0.00 C ATOM 790 CD ARG A 59 4.525 -9.264 3.514 1.00 0.00 C ATOM 791 NE ARG A 59 5.713 -8.524 3.100 1.00 0.00 N ATOM 792 CZ ARG A 59 6.604 -8.023 3.951 1.00 0.00 C ATOM 793 NH1 ARG A 59 6.444 -8.185 5.258 1.00 0.00 N ATOM 794 NH2 ARG A 59 7.655 -7.357 3.495 1.00 0.00 N ATOM 0 H ARG A 59 2.896 -7.971 -0.644 1.00 0.00 H new ATOM 0 HA ARG A 59 1.058 -7.909 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.048 -7.343 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.042 -7.101 2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.487 -9.572 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.650 -9.754 1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.178 -8.885 4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.784 -10.313 3.660 1.00 0.00 H new ATOM 0 HE ARG A 59 5.869 -8.383 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.636 -8.695 5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.130 -7.799 5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.781 -7.228 2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.338 -6.973 4.148 1.00 0.00 H new ATOM 808 N ALA A 60 1.017 -5.359 1.812 1.00 0.00 N ATOM 809 CA ALA A 60 0.732 -3.935 1.668 1.00 0.00 C ATOM 810 C ALA A 60 1.910 -3.096 2.153 1.00 0.00 C ATOM 811 O ALA A 60 2.331 -3.216 3.304 1.00 0.00 O ATOM 812 CB ALA A 60 -0.535 -3.580 2.439 1.00 0.00 C ATOM 0 H ALA A 60 0.634 -5.781 2.658 1.00 0.00 H new ATOM 0 HA ALA A 60 0.575 -3.714 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.742 -2.516 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.373 -4.156 2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.396 -3.814 3.494 1.00 0.00 H new ATOM 818 N ARG A 61 2.441 -2.243 1.277 1.00 0.00 N ATOM 819 CA ARG A 61 3.574 -1.404 1.637 1.00 0.00 C ATOM 820 C ARG A 61 3.412 -0.001 1.049 1.00 0.00 C ATOM 821 O ARG A 61 2.950 0.156 -0.083 1.00 0.00 O ATOM 822 CB ARG A 61 4.878 -2.066 1.155 1.00 0.00 C ATOM 823 CG ARG A 61 5.393 -1.545 -0.177 1.00 0.00 C ATOM 824 CD ARG A 61 6.711 -2.199 -0.549 1.00 0.00 C ATOM 825 NE ARG A 61 7.714 -2.044 0.502 1.00 0.00 N ATOM 826 CZ ARG A 61 8.993 -2.373 0.354 1.00 0.00 C ATOM 827 NH1 ARG A 61 9.427 -2.863 -0.800 1.00 0.00 N ATOM 828 NH2 ARG A 61 9.842 -2.211 1.360 1.00 0.00 N ATOM 0 H ARG A 61 2.105 -2.118 0.322 1.00 0.00 H new ATOM 0 HA ARG A 61 3.617 -1.301 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.648 -1.916 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.716 -3.141 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.655 -1.738 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.523 -0.464 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.548 -3.259 -0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.085 -1.761 -1.474 1.00 0.00 H new ATOM 0 HE ARG A 61 7.416 -1.662 1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.778 -2.988 -1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.409 -3.114 -0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.514 -1.833 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.823 -2.464 1.245 1.00 0.00 H new ATOM 842 N CYS A 62 3.782 1.017 1.824 1.00 0.00 N ATOM 843 CA CYS A 62 3.671 2.402 1.365 1.00 0.00 C ATOM 844 C CYS A 62 5.055 2.957 1.037 1.00 0.00 C ATOM 845 O CYS A 62 5.925 3.023 1.905 1.00 0.00 O ATOM 846 CB CYS A 62 2.971 3.295 2.415 1.00 0.00 C ATOM 847 SG CYS A 62 1.234 3.669 2.025 1.00 0.00 S ATOM 0 H CYS A 62 4.159 0.911 2.766 1.00 0.00 H new ATOM 0 HA CYS A 62 3.058 2.408 0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.017 2.801 3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 62 3.522 4.231 2.507 1.00 0.00 H new ATOM 852 N CYS A 63 5.256 3.357 -0.219 1.00 0.00 N ATOM 853 CA CYS A 63 6.548 3.882 -0.650 1.00 0.00 C ATOM 854 C CYS A 63 6.495 5.378 -0.943 1.00 0.00 C ATOM 855 O CYS A 63 5.469 5.914 -1.363 1.00 0.00 O ATOM 856 CB CYS A 63 7.045 3.127 -1.884 1.00 0.00 C ATOM 857 SG CYS A 63 7.691 1.463 -1.519 1.00 0.00 S ATOM 0 H CYS A 63 4.545 3.327 -0.950 1.00 0.00 H new ATOM 0 HA CYS A 63 7.245 3.733 0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.227 3.040 -2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.828 3.713 -2.366 1.00 0.00 H new ATOM 862 N VAL A 64 7.626 6.035 -0.713 1.00 0.00 N ATOM 863 CA VAL A 64 7.770 7.466 -0.939 1.00 0.00 C ATOM 864 C VAL A 64 8.504 7.730 -2.252 1.00 0.00 C ATOM 865 O VAL A 64 9.343 6.937 -2.677 1.00 0.00 O ATOM 866 CB VAL A 64 8.518 8.126 0.249 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.391 7.120 0.963 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.355 9.312 -0.191 1.00 0.00 C ATOM 0 H VAL A 64 8.472 5.587 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 64 6.776 7.908 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 64 7.755 8.491 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.905 7.607 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.772 6.309 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.127 6.717 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.860 9.742 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.097 8.984 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.710 10.064 -0.645 1.00 0.00 H new ATOM 878 N LEU A 65 8.170 8.852 -2.885 1.00 0.00 N ATOM 879 CA LEU A 65 8.780 9.233 -4.157 1.00 0.00 C ATOM 880 C LEU A 65 10.308 9.144 -4.092 1.00 0.00 C ATOM 881 O LEU A 65 10.915 9.554 -3.104 1.00 0.00 O ATOM 882 CB LEU A 65 8.358 10.651 -4.539 1.00 0.00 C ATOM 883 CG LEU A 65 7.107 10.738 -5.415 1.00 0.00 C ATOM 884 CD1 LEU A 65 6.581 12.163 -5.452 1.00 0.00 C ATOM 885 CD2 LEU A 65 7.404 10.244 -6.825 1.00 0.00 C ATOM 0 H LEU A 65 7.478 9.515 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 65 8.432 8.534 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.185 11.221 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.184 11.131 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 65 6.340 10.097 -4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.691 12.206 -6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.328 12.484 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.346 12.823 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.502 10.314 -7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.188 10.858 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.735 9.206 -6.785 1.00 0.00 H new ATOM 897 N PRO A 66 10.950 8.605 -5.151 1.00 0.00 N ATOM 898 CA PRO A 66 12.412 8.462 -5.202 1.00 0.00 C ATOM 899 C PRO A 66 13.140 9.798 -5.106 1.00 0.00 C ATOM 900 O PRO A 66 12.770 10.768 -5.767 1.00 0.00 O ATOM 901 CB PRO A 66 12.670 7.821 -6.571 1.00 0.00 C ATOM 902 CG PRO A 66 11.371 7.203 -6.959 1.00 0.00 C ATOM 903 CD PRO A 66 10.311 8.089 -6.377 1.00 0.00 C ATOM 0 HA PRO A 66 12.781 7.874 -4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.987 8.565 -7.302 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.461 7.073 -6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.276 7.139 -8.043 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.289 6.188 -6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.037 8.894 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.399 7.535 -6.155 1.00 0.00 H new ATOM 911 N ILE A 67 14.182 9.834 -4.281 1.00 0.00 N ATOM 912 CA ILE A 67 14.980 11.042 -4.096 1.00 0.00 C ATOM 913 C ILE A 67 16.466 10.727 -4.233 1.00 0.00 C ATOM 914 O ILE A 67 17.064 10.118 -3.346 1.00 0.00 O ATOM 915 CB ILE A 67 14.726 11.681 -2.717 1.00 0.00 C ATOM 916 CG1 ILE A 67 13.242 12.019 -2.541 1.00 0.00 C ATOM 917 CG2 ILE A 67 15.585 12.925 -2.534 1.00 0.00 C ATOM 918 CD1 ILE A 67 12.713 12.995 -3.568 1.00 0.00 C ATOM 0 H ILE A 67 14.495 9.036 -3.727 1.00 0.00 H new ATOM 0 HA ILE A 67 14.680 11.749 -4.870 1.00 0.00 H new ATOM 0 HB ILE A 67 15.004 10.958 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 67 12.660 11.099 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.089 12.435 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.390 13.361 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.638 12.654 -2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.342 13.652 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.657 13.185 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.268 13.931 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.833 12.573 -4.566 1.00 0.00 H new ATOM 930 N LEU A 68 17.056 11.135 -5.353 1.00 0.00 N ATOM 931 CA LEU A 68 18.471 10.891 -5.605 1.00 0.00 C ATOM 932 C LEU A 68 19.330 11.371 -4.443 1.00 0.00 C ATOM 933 O LEU A 68 19.330 12.554 -4.101 1.00 0.00 O ATOM 934 CB LEU A 68 18.910 11.583 -6.901 1.00 0.00 C ATOM 935 CG LEU A 68 19.122 10.675 -8.125 1.00 0.00 C ATOM 936 CD1 LEU A 68 18.054 9.603 -8.187 1.00 0.00 C ATOM 937 CD2 LEU A 68 19.110 11.501 -9.389 1.00 0.00 C ATOM 0 H LEU A 68 16.575 11.636 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 68 18.609 9.815 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.162 12.333 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 68 19.841 12.115 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 68 20.092 10.186 -8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 68 18.222 8.972 -9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 68 18.098 8.993 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.072 10.071 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.261 10.850 -10.250 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.151 12.010 -9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.910 12.240 -9.348 1.00 0.00 H new ATOM 949 N GLY A 69 20.063 10.439 -3.843 1.00 0.00 N ATOM 950 CA GLY A 69 20.924 10.774 -2.721 1.00 0.00 C ATOM 951 C GLY A 69 20.547 10.037 -1.449 1.00 0.00 C ATOM 952 O GLY A 69 21.267 10.100 -0.453 1.00 0.00 O ATOM 0 H GLY A 69 20.077 9.456 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 69 21.957 10.539 -2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 69 20.877 11.848 -2.541 1.00 0.00 H new ATOM 956 N GLN A 70 19.414 9.338 -1.480 1.00 0.00 N ATOM 957 CA GLN A 70 18.944 8.591 -0.319 1.00 0.00 C ATOM 958 C GLN A 70 18.375 7.244 -0.726 1.00 0.00 C ATOM 959 O GLN A 70 18.152 6.970 -1.906 1.00 0.00 O ATOM 960 CB GLN A 70 17.878 9.386 0.436 1.00 0.00 C ATOM 961 CG GLN A 70 16.542 9.450 -0.290 1.00 0.00 C ATOM 962 CD GLN A 70 15.531 10.336 0.413 1.00 0.00 C ATOM 963 OE1 GLN A 70 14.329 10.074 0.376 1.00 0.00 O ATOM 964 NE2 GLN A 70 16.011 11.398 1.048 1.00 0.00 N ATOM 0 H GLN A 70 18.806 9.274 -2.297 1.00 0.00 H new ATOM 0 HA GLN A 70 19.801 8.426 0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.728 8.937 1.418 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.242 10.400 0.602 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.702 9.821 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.135 8.443 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.015 11.578 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.376 12.034 1.530 1.00 0.00 H new ATOM 973 N ASP A 71 18.147 6.409 0.275 1.00 0.00 N ATOM 974 CA ASP A 71 17.597 5.075 0.061 1.00 0.00 C ATOM 975 C ASP A 71 16.077 5.141 -0.054 1.00 0.00 C ATOM 976 O ASP A 71 15.469 6.172 0.233 1.00 0.00 O ATOM 977 CB ASP A 71 17.999 4.148 1.213 1.00 0.00 C ATOM 978 CG ASP A 71 17.583 2.709 0.974 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.352 1.970 0.321 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.492 2.320 1.440 1.00 0.00 O ATOM 0 H ASP A 71 18.335 6.632 1.252 1.00 0.00 H new ATOM 0 HA ASP A 71 18.000 4.676 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.079 4.192 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.545 4.505 2.137 1.00 0.00 H new ATOM 985 N ILE A 72 15.465 4.036 -0.476 1.00 0.00 N ATOM 986 CA ILE A 72 14.017 3.981 -0.624 1.00 0.00 C ATOM 987 C ILE A 72 13.342 3.670 0.714 1.00 0.00 C ATOM 988 O ILE A 72 13.667 2.681 1.372 1.00 0.00 O ATOM 989 CB ILE A 72 13.592 2.939 -1.690 1.00 0.00 C ATOM 990 CG1 ILE A 72 12.109 3.107 -2.031 1.00 0.00 C ATOM 991 CG2 ILE A 72 13.874 1.517 -1.218 1.00 0.00 C ATOM 992 CD1 ILE A 72 11.634 2.212 -3.156 1.00 0.00 C ATOM 0 H ILE A 72 15.949 3.172 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 72 13.690 4.964 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 72 14.183 3.114 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.516 2.901 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.924 4.146 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.565 0.810 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.941 1.402 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.318 1.321 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.574 2.389 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.200 2.433 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.785 1.169 -2.879 1.00 0.00 H new ATOM 1004 N LEU A 73 12.415 4.536 1.121 1.00 0.00 N ATOM 1005 CA LEU A 73 11.702 4.356 2.379 1.00 0.00 C ATOM 1006 C LEU A 73 10.352 3.675 2.152 1.00 0.00 C ATOM 1007 O LEU A 73 9.430 4.270 1.599 1.00 0.00 O ATOM 1008 CB LEU A 73 11.506 5.712 3.078 1.00 0.00 C ATOM 1009 CG LEU A 73 12.743 6.263 3.802 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.236 5.279 4.854 1.00 0.00 C ATOM 1011 CD2 LEU A 73 13.851 6.586 2.807 1.00 0.00 C ATOM 0 H LEU A 73 12.142 5.367 0.597 1.00 0.00 H new ATOM 0 HA LEU A 73 12.302 3.711 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.185 6.442 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.696 5.616 3.801 1.00 0.00 H new ATOM 0 HG LEU A 73 12.457 7.186 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.113 5.690 5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.448 5.105 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.500 4.336 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.718 6.975 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.132 5.681 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.496 7.334 2.098 1.00 0.00 H new ATOM 1023 N CYS A 74 10.247 2.418 2.578 1.00 0.00 N ATOM 1024 CA CYS A 74 9.010 1.659 2.417 1.00 0.00 C ATOM 1025 C CYS A 74 8.779 0.724 3.604 1.00 0.00 C ATOM 1026 O CYS A 74 9.685 -0.003 4.014 1.00 0.00 O ATOM 1027 CB CYS A 74 9.055 0.840 1.124 1.00 0.00 C ATOM 1028 SG CYS A 74 9.330 1.831 -0.381 1.00 0.00 S ATOM 0 H CYS A 74 11.001 1.906 3.036 1.00 0.00 H new ATOM 0 HA CYS A 74 8.186 2.371 2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.848 0.097 1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.117 0.295 1.020 1.00 0.00 H new ATOM 1033 N GLN A 75 7.564 0.743 4.153 1.00 0.00 N ATOM 1034 CA GLN A 75 7.226 -0.113 5.286 1.00 0.00 C ATOM 1035 C GLN A 75 5.714 -0.274 5.416 1.00 0.00 C ATOM 1036 O GLN A 75 4.946 0.450 4.780 1.00 0.00 O ATOM 1037 CB GLN A 75 7.808 0.459 6.581 1.00 0.00 C ATOM 1038 CG GLN A 75 7.171 1.775 7.012 1.00 0.00 C ATOM 1039 CD GLN A 75 7.719 2.278 8.334 1.00 0.00 C ATOM 1040 OE1 GLN A 75 7.193 1.960 9.399 1.00 0.00 O ATOM 1041 NE2 GLN A 75 8.784 3.070 8.269 1.00 0.00 N ATOM 0 H GLN A 75 6.802 1.340 3.832 1.00 0.00 H new ATOM 0 HA GLN A 75 7.662 -1.096 5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.683 -0.273 7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 75 8.880 0.610 6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.341 2.527 6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.092 1.643 7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.188 3.308 7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.197 3.440 9.125 1.00 0.00 H new ATOM 1050 N THR A 76 5.295 -1.227 6.242 1.00 0.00 N ATOM 1051 CA THR A 76 3.880 -1.492 6.458 1.00 0.00 C ATOM 1052 C THR A 76 3.297 -0.529 7.495 1.00 0.00 C ATOM 1053 O THR A 76 3.928 -0.262 8.517 1.00 0.00 O ATOM 1054 CB THR A 76 3.664 -2.942 6.928 1.00 0.00 C ATOM 1055 OG1 THR A 76 4.257 -3.851 5.994 1.00 0.00 O ATOM 1056 CG2 THR A 76 2.185 -3.256 7.073 1.00 0.00 C ATOM 0 H THR A 76 5.921 -1.831 6.775 1.00 0.00 H new ATOM 0 HA THR A 76 3.367 -1.343 5.508 1.00 0.00 H new ATOM 0 HB THR A 76 4.138 -3.055 7.903 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.117 -4.772 6.300 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.063 -4.287 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.740 -2.583 7.806 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.689 -3.124 6.111 1.00 0.00 H new ATOM 1064 N PRO A 77 2.082 0.008 7.251 1.00 0.00 N ATOM 1065 CA PRO A 77 1.440 0.943 8.173 1.00 0.00 C ATOM 1066 C PRO A 77 0.697 0.238 9.303 1.00 0.00 C ATOM 1067 O PRO A 77 -0.004 -0.747 9.078 1.00 0.00 O ATOM 1068 CB PRO A 77 0.462 1.686 7.268 1.00 0.00 C ATOM 1069 CG PRO A 77 0.063 0.681 6.240 1.00 0.00 C ATOM 1070 CD PRO A 77 1.239 -0.252 6.066 1.00 0.00 C ATOM 0 HA PRO A 77 2.161 1.586 8.678 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.402 2.045 7.828 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.930 2.558 6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.823 0.132 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.187 1.169 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.919 -1.293 6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.777 -0.047 5.141 1.00 0.00 H new ATOM 1078 N ALA A 78 0.866 0.753 10.521 1.00 0.00 N ATOM 1079 CA ALA A 78 0.214 0.189 11.703 1.00 0.00 C ATOM 1080 C ALA A 78 0.700 -1.228 11.997 1.00 0.00 C ATOM 1081 O ALA A 78 0.211 -1.879 12.920 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.299 0.205 11.537 1.00 0.00 C ATOM 0 H ALA A 78 1.452 1.565 10.715 1.00 0.00 H new ATOM 0 HA ALA A 78 0.484 0.814 12.554 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.767 -0.218 12.426 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.639 1.232 11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.576 -0.387 10.665 1.00 0.00 H new ATOM 1088 N GLY A 79 1.663 -1.702 11.212 1.00 0.00 N ATOM 1089 CA GLY A 79 2.194 -3.033 11.412 1.00 0.00 C ATOM 1090 C GLY A 79 1.224 -4.113 10.981 1.00 0.00 C ATOM 1091 O GLY A 79 1.091 -5.140 11.647 1.00 0.00 O ATOM 0 H GLY A 79 2.084 -1.185 10.440 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.123 -3.138 10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.440 -3.169 12.465 1.00 0.00 H new ATOM 1095 N LEU A 80 0.543 -3.877 9.863 1.00 0.00 N ATOM 1096 CA LEU A 80 -0.423 -4.836 9.337 1.00 0.00 C ATOM 1097 C LEU A 80 0.229 -6.192 9.092 1.00 0.00 C ATOM 1098 O LEU A 80 0.813 -6.380 8.004 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.042 -4.314 8.041 1.00 0.00 C ATOM 1100 CG LEU A 80 -1.939 -3.090 8.202 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -2.113 -2.385 6.874 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -3.287 -3.500 8.770 1.00 0.00 C ATOM 1103 OXT LEU A 80 0.151 -7.057 9.990 1.00 0.00 O ATOM 0 H LEU A 80 0.642 -3.030 9.304 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.209 -4.961 10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.239 -4.069 7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.624 -5.115 7.586 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.465 -2.397 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.755 -1.514 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.140 -2.065 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.569 -3.067 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.919 -2.619 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.767 -4.208 8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.144 -3.968 9.744 1.00 0.00 H new TER 1115 LEU A 80