USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 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 51 HIS : no HD1:sc= -0.57 X(o=-0.57,f=-0.52) USER MOD Set 1.2: A 55 SER OG : rot 72:sc= 0.00189 USER MOD Set 2.1: A 40 HIS : no HD1:sc= -2.96 X(o=-2.9,f=-2.8!) USER MOD Set 2.2: A 41 THR OG1 : rot 62:sc= 0.0825 USER MOD Single : A 1 ARG N :NH3+ 135:sc= 0.0109 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 150:sc= -0.354 USER MOD Single : A 7 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.3!) USER MOD Single : A 8 MET CE :methyl -121:sc= -1.6 (180deg=-2.67!) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0157) USER MOD Single : A 15 LYS NZ :NH3+ -129:sc= -0.0202 (180deg=-0.333) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.263 USER MOD Single : A 19 SER OG : rot -83:sc= 0.865 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -150:sc= -0.163 USER MOD Single : A 52 TYR OH : rot 41:sc= -5.12! USER MOD Single : A 54 ASN : amide:sc=-0.00338 X(o=-0.0034,f=-0.06) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= -0.189 (180deg=-0.189) USER MOD Single : A 62 HIS : no HE2:sc= -20! C(o=-20!,f=-21!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 62:sc= 1.16 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.994 0.726 -3.438 1.00 0.00 N ATOM 2 CA ARG A 1 13.682 1.257 -3.109 1.00 0.00 C ATOM 3 C ARG A 1 13.816 2.625 -2.435 1.00 0.00 C ATOM 4 O ARG A 1 14.679 2.818 -1.580 1.00 0.00 O ATOM 5 CB ARG A 1 12.922 0.310 -2.177 1.00 0.00 C ATOM 6 CG ARG A 1 11.690 0.995 -1.584 1.00 0.00 C ATOM 7 CD ARG A 1 12.037 1.713 -0.277 1.00 0.00 C ATOM 8 NE ARG A 1 11.576 0.910 0.878 1.00 0.00 N ATOM 9 CZ ARG A 1 11.922 1.156 2.149 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.735 2.183 2.435 1.00 0.00 N ATOM 11 NH2 ARG A 1 11.457 0.375 3.133 1.00 0.00 N ATOM 0 H1 ARG A 1 15.042 -0.276 -3.164 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.157 0.813 -4.461 1.00 0.00 H new ATOM 0 H3 ARG A 1 15.724 1.260 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 1 13.123 1.359 -4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.618 -0.580 -2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.580 -0.021 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.287 1.711 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.911 0.255 -1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.114 1.872 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.568 2.697 -0.257 1.00 0.00 H new ATOM 0 HE ARG A 1 10.957 0.121 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.090 2.777 1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.999 2.371 3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.840 -0.407 2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.720 0.562 4.100 1.00 0.00 H new ATOM 25 N SER A 2 12.949 3.538 -2.847 1.00 0.00 N ATOM 26 CA SER A 2 12.959 4.882 -2.294 1.00 0.00 C ATOM 27 C SER A 2 11.925 5.751 -3.011 1.00 0.00 C ATOM 28 O SER A 2 12.216 6.883 -3.391 1.00 0.00 O ATOM 29 CB SER A 2 14.349 5.512 -2.405 1.00 0.00 C ATOM 30 OG SER A 2 14.726 6.189 -1.210 1.00 0.00 O ATOM 0 H SER A 2 12.235 3.374 -3.557 1.00 0.00 H new ATOM 0 HA SER A 2 12.701 4.819 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.082 4.736 -2.629 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.363 6.214 -3.239 1.00 0.00 H new ATOM 0 HG SER A 2 15.620 6.576 -1.321 1.00 0.00 H new ATOM 36 N ALA A 3 10.736 5.187 -3.172 1.00 0.00 N ATOM 37 CA ALA A 3 9.655 5.896 -3.836 1.00 0.00 C ATOM 38 C ALA A 3 8.433 4.981 -3.930 1.00 0.00 C ATOM 39 O ALA A 3 7.393 5.267 -3.339 1.00 0.00 O ATOM 40 CB ALA A 3 10.129 6.380 -5.209 1.00 0.00 C ATOM 0 H ALA A 3 10.498 4.248 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 3 9.364 6.776 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.318 6.912 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.980 7.050 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.427 5.523 -5.814 1.00 0.00 H new ATOM 46 N LEU A 4 8.599 3.900 -4.678 1.00 0.00 N ATOM 47 CA LEU A 4 7.521 2.942 -4.857 1.00 0.00 C ATOM 48 C LEU A 4 6.904 2.615 -3.496 1.00 0.00 C ATOM 49 O LEU A 4 5.710 2.825 -3.285 1.00 0.00 O ATOM 50 CB LEU A 4 8.020 1.711 -5.617 1.00 0.00 C ATOM 51 CG LEU A 4 7.812 1.729 -7.133 1.00 0.00 C ATOM 52 CD1 LEU A 4 6.326 1.840 -7.481 1.00 0.00 C ATOM 53 CD2 LEU A 4 8.638 2.839 -7.787 1.00 0.00 C ATOM 0 H LEU A 4 9.463 3.666 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 4 6.729 3.370 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.085 1.593 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.520 0.831 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 4 8.168 0.782 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.206 1.851 -8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.790 0.987 -7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.922 2.762 -7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.472 2.830 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.336 3.805 -7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.696 2.675 -7.582 1.00 0.00 H new ATOM 65 N SER A 5 7.745 2.106 -2.607 1.00 0.00 N ATOM 66 CA SER A 5 7.296 1.748 -1.273 1.00 0.00 C ATOM 67 C SER A 5 6.262 2.762 -0.778 1.00 0.00 C ATOM 68 O SER A 5 5.193 2.381 -0.301 1.00 0.00 O ATOM 69 CB SER A 5 8.473 1.673 -0.298 1.00 0.00 C ATOM 70 OG SER A 5 9.192 2.902 -0.234 1.00 0.00 O ATOM 0 H SER A 5 8.734 1.933 -2.785 1.00 0.00 H new ATOM 0 HA SER A 5 6.834 0.762 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.105 1.416 0.695 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.148 0.874 -0.605 1.00 0.00 H new ATOM 0 HG SER A 5 9.581 3.007 0.659 1.00 0.00 H new ATOM 76 N CYS A 6 6.615 4.032 -0.910 1.00 0.00 N ATOM 77 CA CYS A 6 5.731 5.103 -0.483 1.00 0.00 C ATOM 78 C CYS A 6 4.473 5.062 -1.354 1.00 0.00 C ATOM 79 O CYS A 6 3.380 4.791 -0.861 1.00 0.00 O ATOM 80 CB CYS A 6 6.423 6.466 -0.542 1.00 0.00 C ATOM 81 SG CYS A 6 5.322 7.868 -0.954 1.00 0.00 S ATOM 0 H CYS A 6 7.502 4.344 -1.307 1.00 0.00 H new ATOM 0 HA CYS A 6 5.454 4.956 0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.892 6.662 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.222 6.420 -1.282 1.00 0.00 H new ATOM 86 N GLN A 7 4.670 5.339 -2.635 1.00 0.00 N ATOM 87 CA GLN A 7 3.566 5.339 -3.579 1.00 0.00 C ATOM 88 C GLN A 7 2.598 4.197 -3.263 1.00 0.00 C ATOM 89 O GLN A 7 1.398 4.420 -3.114 1.00 0.00 O ATOM 90 CB GLN A 7 4.075 5.243 -5.019 1.00 0.00 C ATOM 91 CG GLN A 7 3.154 5.999 -5.979 1.00 0.00 C ATOM 92 CD GLN A 7 1.845 5.236 -6.196 1.00 0.00 C ATOM 93 OE1 GLN A 7 1.822 4.116 -6.679 1.00 0.00 O ATOM 94 NE2 GLN A 7 0.760 5.904 -5.813 1.00 0.00 N ATOM 0 H GLN A 7 5.578 5.565 -3.041 1.00 0.00 H new ATOM 0 HA GLN A 7 3.030 6.283 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.084 5.652 -5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.137 4.196 -5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.940 6.990 -5.579 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.658 6.143 -6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 7 0.851 6.839 -5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -0.162 5.481 -5.916 1.00 0.00 H new ATOM 103 N MET A 8 3.156 2.999 -3.171 1.00 0.00 N ATOM 104 CA MET A 8 2.357 1.822 -2.875 1.00 0.00 C ATOM 105 C MET A 8 1.479 2.050 -1.643 1.00 0.00 C ATOM 106 O MET A 8 0.350 1.565 -1.581 1.00 0.00 O ATOM 107 CB MET A 8 3.279 0.627 -2.631 1.00 0.00 C ATOM 108 CG MET A 8 4.043 0.253 -3.903 1.00 0.00 C ATOM 109 SD MET A 8 4.898 -1.296 -3.670 1.00 0.00 S ATOM 110 CE MET A 8 5.345 -1.661 -5.359 1.00 0.00 C ATOM 0 H MET A 8 4.152 2.818 -3.296 1.00 0.00 H new ATOM 0 HA MET A 8 1.708 1.623 -3.728 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.985 0.865 -1.835 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.692 -0.226 -2.291 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.352 0.173 -4.742 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.757 1.038 -4.152 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.912 -2.617 -5.652 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.966 -0.876 -6.013 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.430 -1.713 -5.445 1.00 0.00 H new ATOM 120 N CYS A 9 2.031 2.790 -0.692 1.00 0.00 N ATOM 121 CA CYS A 9 1.312 3.089 0.535 1.00 0.00 C ATOM 122 C CYS A 9 0.038 3.853 0.172 1.00 0.00 C ATOM 123 O CYS A 9 -0.990 3.703 0.830 1.00 0.00 O ATOM 124 CB CYS A 9 2.182 3.867 1.525 1.00 0.00 C ATOM 125 SG CYS A 9 2.063 5.688 1.385 1.00 0.00 S ATOM 0 H CYS A 9 2.967 3.191 -0.747 1.00 0.00 H new ATOM 0 HA CYS A 9 1.045 2.160 1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.904 3.576 2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.222 3.573 1.382 1.00 0.00 H new ATOM 130 N GLU A 10 0.147 4.657 -0.876 1.00 0.00 N ATOM 131 CA GLU A 10 -0.984 5.446 -1.335 1.00 0.00 C ATOM 132 C GLU A 10 -1.936 4.579 -2.162 1.00 0.00 C ATOM 133 O GLU A 10 -3.031 5.014 -2.513 1.00 0.00 O ATOM 134 CB GLU A 10 -0.515 6.662 -2.136 1.00 0.00 C ATOM 135 CG GLU A 10 -1.470 7.844 -1.949 1.00 0.00 C ATOM 136 CD GLU A 10 -1.245 8.521 -0.596 1.00 0.00 C ATOM 137 OE1 GLU A 10 -0.087 8.922 -0.347 1.00 0.00 O ATOM 138 OE2 GLU A 10 -2.235 8.624 0.159 1.00 0.00 O ATOM 0 H GLU A 10 1.001 4.779 -1.420 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.524 5.813 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.488 6.946 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.453 6.404 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.321 8.567 -2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.501 7.498 -2.020 1.00 0.00 H new ATOM 146 N LEU A 11 -1.481 3.367 -2.449 1.00 0.00 N ATOM 147 CA LEU A 11 -2.279 2.435 -3.227 1.00 0.00 C ATOM 148 C LEU A 11 -3.136 1.589 -2.282 1.00 0.00 C ATOM 149 O LEU A 11 -4.298 1.313 -2.572 1.00 0.00 O ATOM 150 CB LEU A 11 -1.384 1.608 -4.153 1.00 0.00 C ATOM 151 CG LEU A 11 -2.098 0.581 -5.034 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.907 1.272 -6.135 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.107 -0.437 -5.603 1.00 0.00 C ATOM 0 H LEU A 11 -0.571 3.010 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.964 2.974 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.834 2.292 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.648 1.085 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.804 0.030 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.405 0.520 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.654 1.924 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.239 1.864 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.640 -1.155 -6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.360 0.080 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.614 -0.962 -4.785 1.00 0.00 H new ATOM 165 N VAL A 12 -2.526 1.202 -1.172 1.00 0.00 N ATOM 166 CA VAL A 12 -3.218 0.393 -0.182 1.00 0.00 C ATOM 167 C VAL A 12 -4.230 1.265 0.566 1.00 0.00 C ATOM 168 O VAL A 12 -5.393 0.890 0.707 1.00 0.00 O ATOM 169 CB VAL A 12 -2.205 -0.277 0.748 1.00 0.00 C ATOM 170 CG1 VAL A 12 -1.143 -1.032 -0.053 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.560 0.746 1.685 1.00 0.00 C ATOM 0 H VAL A 12 -1.561 1.433 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.774 -0.409 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.741 -1.001 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.435 -1.499 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.623 -1.800 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.614 -0.335 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.844 0.243 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.045 1.505 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.331 1.220 2.292 1.00 0.00 H new ATOM 181 N VAL A 13 -3.750 2.412 1.024 1.00 0.00 N ATOM 182 CA VAL A 13 -4.598 3.340 1.753 1.00 0.00 C ATOM 183 C VAL A 13 -5.791 3.730 0.877 1.00 0.00 C ATOM 184 O VAL A 13 -6.941 3.517 1.257 1.00 0.00 O ATOM 185 CB VAL A 13 -3.777 4.544 2.218 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.657 4.112 3.165 1.00 0.00 C ATOM 187 CG2 VAL A 13 -3.217 5.319 1.023 1.00 0.00 C ATOM 0 H VAL A 13 -2.785 2.720 0.904 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.996 2.869 2.652 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.441 5.210 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.089 4.987 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.088 3.625 4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.994 3.415 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.637 6.170 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.575 4.665 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.039 5.675 0.403 1.00 0.00 H new ATOM 197 N LYS A 14 -5.475 4.296 -0.278 1.00 0.00 N ATOM 198 CA LYS A 14 -6.506 4.718 -1.212 1.00 0.00 C ATOM 199 C LYS A 14 -7.567 3.622 -1.323 1.00 0.00 C ATOM 200 O LYS A 14 -8.750 3.913 -1.492 1.00 0.00 O ATOM 201 CB LYS A 14 -5.885 5.111 -2.554 1.00 0.00 C ATOM 202 CG LYS A 14 -5.396 3.878 -3.315 1.00 0.00 C ATOM 203 CD LYS A 14 -5.019 4.235 -4.753 1.00 0.00 C ATOM 204 CE LYS A 14 -6.268 4.429 -5.615 1.00 0.00 C ATOM 205 NZ LYS A 14 -6.425 5.853 -5.987 1.00 0.00 N ATOM 0 H LYS A 14 -4.520 4.473 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.009 5.613 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.620 5.646 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.052 5.794 -2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.533 3.450 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.175 3.116 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.422 5.147 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.399 3.445 -5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.195 3.818 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.149 4.090 -5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.371 6.004 -6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.313 6.447 -5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.702 6.110 -6.689 1.00 0.00 H new ATOM 219 N LYS A 15 -7.106 2.383 -1.221 1.00 0.00 N ATOM 220 CA LYS A 15 -8.001 1.242 -1.308 1.00 0.00 C ATOM 221 C LYS A 15 -8.748 1.083 0.017 1.00 0.00 C ATOM 222 O LYS A 15 -9.937 0.769 0.031 1.00 0.00 O ATOM 223 CB LYS A 15 -7.233 -0.010 -1.736 1.00 0.00 C ATOM 224 CG LYS A 15 -6.789 0.091 -3.197 1.00 0.00 C ATOM 225 CD LYS A 15 -7.986 -0.024 -4.143 1.00 0.00 C ATOM 226 CE LYS A 15 -7.528 -0.093 -5.600 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.600 -0.652 -6.455 1.00 0.00 N ATOM 0 H LYS A 15 -6.124 2.145 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.753 1.406 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.361 -0.143 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.862 -0.890 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.281 1.041 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.070 -0.698 -3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.564 -0.915 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.646 0.832 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.258 0.903 -5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.634 -0.711 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.215 -1.428 -7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.369 -1.014 -5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.970 0.093 -7.080 1.00 0.00 H new ATOM 241 N TYR A 16 -8.019 1.306 1.101 1.00 0.00 N ATOM 242 CA TYR A 16 -8.596 1.191 2.429 1.00 0.00 C ATOM 243 C TYR A 16 -9.486 2.395 2.746 1.00 0.00 C ATOM 244 O TYR A 16 -10.704 2.259 2.863 1.00 0.00 O ATOM 245 CB TYR A 16 -7.418 1.174 3.403 1.00 0.00 C ATOM 246 CG TYR A 16 -7.817 0.940 4.861 1.00 0.00 C ATOM 247 CD1 TYR A 16 -9.133 0.679 5.182 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.861 0.992 5.856 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.510 0.459 6.555 1.00 0.00 C ATOM 250 CE2 TYR A 16 -7.237 0.773 7.228 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.543 0.518 7.510 1.00 0.00 C ATOM 252 OH TYR A 16 -8.899 0.310 8.806 1.00 0.00 O ATOM 0 H TYR A 16 -7.033 1.566 1.086 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.211 0.294 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.720 0.394 3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.887 2.123 3.331 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.881 0.640 4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.831 1.197 5.605 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.536 0.252 6.820 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.499 0.810 8.016 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.667 -0.297 8.841 1.00 0.00 H new ATOM 262 N GLU A 17 -8.844 3.547 2.876 1.00 0.00 N ATOM 263 CA GLU A 17 -9.561 4.774 3.176 1.00 0.00 C ATOM 264 C GLU A 17 -10.881 4.821 2.402 1.00 0.00 C ATOM 265 O GLU A 17 -11.904 5.243 2.939 1.00 0.00 O ATOM 266 CB GLU A 17 -8.702 6.002 2.868 1.00 0.00 C ATOM 267 CG GLU A 17 -7.480 6.060 3.787 1.00 0.00 C ATOM 268 CD GLU A 17 -7.879 6.478 5.204 1.00 0.00 C ATOM 269 OE1 GLU A 17 -8.335 5.586 5.952 1.00 0.00 O ATOM 270 OE2 GLU A 17 -7.718 7.680 5.507 1.00 0.00 O ATOM 0 H GLU A 17 -7.835 3.656 2.779 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.786 4.787 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.378 5.972 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.297 6.907 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.995 5.084 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.753 6.766 3.387 1.00 0.00 H new ATOM 278 N GLY A 18 -10.814 4.380 1.155 1.00 0.00 N ATOM 279 CA GLY A 18 -11.992 4.366 0.303 1.00 0.00 C ATOM 280 C GLY A 18 -12.343 2.940 -0.124 1.00 0.00 C ATOM 281 O GLY A 18 -12.578 2.681 -1.303 1.00 0.00 O ATOM 0 H GLY A 18 -9.964 4.030 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.835 4.808 0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.814 4.980 -0.580 1.00 0.00 H new ATOM 285 N SER A 19 -12.367 2.051 0.859 1.00 0.00 N ATOM 286 CA SER A 19 -12.686 0.658 0.599 1.00 0.00 C ATOM 287 C SER A 19 -14.202 0.477 0.501 1.00 0.00 C ATOM 288 O SER A 19 -14.707 -0.026 -0.502 1.00 0.00 O ATOM 289 CB SER A 19 -12.114 -0.249 1.691 1.00 0.00 C ATOM 290 OG SER A 19 -12.142 0.372 2.972 1.00 0.00 O ATOM 0 H SER A 19 -12.171 2.269 1.836 1.00 0.00 H new ATOM 0 HA SER A 19 -12.231 0.374 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.684 -1.177 1.726 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.087 -0.515 1.440 1.00 0.00 H new ATOM 0 HG SER A 19 -11.358 0.952 3.072 1.00 0.00 H new ATOM 296 N ALA A 20 -14.886 0.898 1.555 1.00 0.00 N ATOM 297 CA ALA A 20 -16.335 0.789 1.599 1.00 0.00 C ATOM 298 C ALA A 20 -16.722 -0.613 2.074 1.00 0.00 C ATOM 299 O ALA A 20 -17.895 -0.886 2.323 1.00 0.00 O ATOM 300 CB ALA A 20 -16.914 1.118 0.221 1.00 0.00 C ATOM 0 H ALA A 20 -14.464 1.315 2.385 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.752 1.505 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -18.000 1.036 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.635 2.134 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.520 0.418 -0.516 1.00 0.00 H new ATOM 306 N ASP A 21 -15.713 -1.465 2.186 1.00 0.00 N ATOM 307 CA ASP A 21 -15.934 -2.832 2.628 1.00 0.00 C ATOM 308 C ASP A 21 -15.238 -3.048 3.972 1.00 0.00 C ATOM 309 O ASP A 21 -15.465 -4.057 4.639 1.00 0.00 O ATOM 310 CB ASP A 21 -15.351 -3.833 1.629 1.00 0.00 C ATOM 311 CG ASP A 21 -13.832 -3.998 1.689 1.00 0.00 C ATOM 312 OD1 ASP A 21 -13.201 -3.186 2.400 1.00 0.00 O ATOM 313 OD2 ASP A 21 -13.334 -4.931 1.022 1.00 0.00 O ATOM 0 H ASP A 21 -14.741 -1.235 1.978 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.009 -2.989 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.814 -4.805 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.628 -3.521 0.622 1.00 0.00 H new ATOM 319 N LYS A 22 -14.405 -2.082 4.333 1.00 0.00 N ATOM 320 CA LYS A 22 -13.675 -2.154 5.588 1.00 0.00 C ATOM 321 C LYS A 22 -13.044 -3.540 5.727 1.00 0.00 C ATOM 322 O LYS A 22 -13.365 -4.282 6.654 1.00 0.00 O ATOM 323 CB LYS A 22 -14.582 -1.771 6.758 1.00 0.00 C ATOM 324 CG LYS A 22 -15.370 -0.497 6.447 1.00 0.00 C ATOM 325 CD LYS A 22 -14.436 0.707 6.315 1.00 0.00 C ATOM 326 CE LYS A 22 -14.695 1.728 7.425 1.00 0.00 C ATOM 327 NZ LYS A 22 -13.430 2.084 8.107 1.00 0.00 N ATOM 0 H LYS A 22 -14.220 -1.246 3.779 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.860 -1.430 5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.273 -2.587 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.981 -1.621 7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.932 -0.629 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.097 -0.313 7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.399 0.374 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.579 1.178 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.153 2.623 7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.401 1.318 8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.623 2.778 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.009 1.230 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.768 2.495 7.418 1.00 0.00 H new ATOM 341 N ASP A 23 -12.156 -3.848 4.792 1.00 0.00 N ATOM 342 CA ASP A 23 -11.477 -5.133 4.799 1.00 0.00 C ATOM 343 C ASP A 23 -10.043 -4.949 4.298 1.00 0.00 C ATOM 344 O ASP A 23 -9.827 -4.497 3.174 1.00 0.00 O ATOM 345 CB ASP A 23 -12.177 -6.130 3.875 1.00 0.00 C ATOM 346 CG ASP A 23 -12.934 -7.252 4.588 1.00 0.00 C ATOM 347 OD1 ASP A 23 -12.252 -8.086 5.219 1.00 0.00 O ATOM 348 OD2 ASP A 23 -14.181 -7.248 4.487 1.00 0.00 O ATOM 0 H ASP A 23 -11.891 -3.230 4.025 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.490 -5.517 5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.877 -5.585 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.432 -6.576 3.216 1.00 0.00 H new ATOM 354 N ALA A 24 -9.099 -5.308 5.156 1.00 0.00 N ATOM 355 CA ALA A 24 -7.693 -5.189 4.814 1.00 0.00 C ATOM 356 C ALA A 24 -7.307 -6.319 3.856 1.00 0.00 C ATOM 357 O ALA A 24 -6.164 -6.395 3.410 1.00 0.00 O ATOM 358 CB ALA A 24 -6.853 -5.197 6.093 1.00 0.00 C ATOM 0 H ALA A 24 -9.281 -5.681 6.088 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.502 -4.245 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.798 -5.108 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.145 -4.358 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.018 -6.131 6.631 1.00 0.00 H new ATOM 364 N ASN A 25 -8.283 -7.168 3.570 1.00 0.00 N ATOM 365 CA ASN A 25 -8.060 -8.290 2.675 1.00 0.00 C ATOM 366 C ASN A 25 -8.290 -7.838 1.231 1.00 0.00 C ATOM 367 O ASN A 25 -7.481 -8.127 0.350 1.00 0.00 O ATOM 368 CB ASN A 25 -9.031 -9.434 2.972 1.00 0.00 C ATOM 369 CG ASN A 25 -8.318 -10.589 3.678 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.708 -11.446 3.061 1.00 0.00 O ATOM 371 ND2 ASN A 25 -8.429 -10.565 5.003 1.00 0.00 N ATOM 0 H ASN A 25 -9.230 -7.101 3.942 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.037 -8.639 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.847 -9.070 3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.475 -9.790 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.989 -11.293 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.955 -9.818 5.457 1.00 0.00 H new ATOM 378 N VAL A 26 -9.396 -7.136 1.034 1.00 0.00 N ATOM 379 CA VAL A 26 -9.742 -6.641 -0.288 1.00 0.00 C ATOM 380 C VAL A 26 -8.916 -5.390 -0.592 1.00 0.00 C ATOM 381 O VAL A 26 -8.815 -4.974 -1.745 1.00 0.00 O ATOM 382 CB VAL A 26 -11.251 -6.398 -0.376 1.00 0.00 C ATOM 383 CG1 VAL A 26 -11.742 -6.525 -1.820 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.015 -7.348 0.549 1.00 0.00 C ATOM 0 H VAL A 26 -10.064 -6.898 1.767 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.500 -7.382 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.447 -5.379 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.817 -6.348 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.232 -5.790 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.527 -7.527 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.084 -7.154 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.810 -8.379 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.695 -7.189 1.579 1.00 0.00 H new ATOM 394 N ILE A 27 -8.347 -4.826 0.462 1.00 0.00 N ATOM 395 CA ILE A 27 -7.532 -3.629 0.323 1.00 0.00 C ATOM 396 C ILE A 27 -6.158 -4.016 -0.230 1.00 0.00 C ATOM 397 O ILE A 27 -5.823 -3.672 -1.363 1.00 0.00 O ATOM 398 CB ILE A 27 -7.470 -2.866 1.647 1.00 0.00 C ATOM 399 CG1 ILE A 27 -8.814 -2.208 1.964 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.323 -1.853 1.642 1.00 0.00 C ATOM 401 CD1 ILE A 27 -8.900 -1.820 3.441 1.00 0.00 C ATOM 0 H ILE A 27 -8.433 -5.175 1.417 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.983 -2.941 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.266 -3.581 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.944 -1.321 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.625 -2.892 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.301 -1.324 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.377 -2.375 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.473 -1.138 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.865 -1.354 3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.794 -2.712 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.102 -1.117 3.679 1.00 0.00 H new ATOM 413 N LYS A 28 -5.401 -4.724 0.594 1.00 0.00 N ATOM 414 CA LYS A 28 -4.073 -5.160 0.203 1.00 0.00 C ATOM 415 C LYS A 28 -4.151 -5.866 -1.152 1.00 0.00 C ATOM 416 O LYS A 28 -3.228 -5.774 -1.959 1.00 0.00 O ATOM 417 CB LYS A 28 -3.442 -6.014 1.305 1.00 0.00 C ATOM 418 CG LYS A 28 -3.754 -7.496 1.097 1.00 0.00 C ATOM 419 CD LYS A 28 -2.901 -8.371 2.019 1.00 0.00 C ATOM 420 CE LYS A 28 -3.195 -8.067 3.489 1.00 0.00 C ATOM 421 NZ LYS A 28 -3.901 -9.203 4.122 1.00 0.00 N ATOM 0 H LYS A 28 -5.683 -5.007 1.533 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.412 -4.302 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.362 -5.864 1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.816 -5.693 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.811 -7.679 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.569 -7.768 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.100 -9.423 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.844 -8.201 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.263 -7.869 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.803 -7.165 3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.093 -8.980 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.799 -9.373 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.308 -10.055 4.066 1.00 0.00 H new ATOM 435 N LYS A 29 -5.263 -6.557 -1.360 1.00 0.00 N ATOM 436 CA LYS A 29 -5.474 -7.279 -2.603 1.00 0.00 C ATOM 437 C LYS A 29 -5.635 -6.277 -3.749 1.00 0.00 C ATOM 438 O LYS A 29 -4.806 -6.227 -4.655 1.00 0.00 O ATOM 439 CB LYS A 29 -6.648 -8.250 -2.466 1.00 0.00 C ATOM 440 CG LYS A 29 -6.186 -9.591 -1.892 1.00 0.00 C ATOM 441 CD LYS A 29 -7.382 -10.451 -1.479 1.00 0.00 C ATOM 442 CE LYS A 29 -8.460 -10.451 -2.565 1.00 0.00 C ATOM 443 NZ LYS A 29 -7.994 -11.193 -3.757 1.00 0.00 N ATOM 0 H LYS A 29 -6.027 -6.632 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.606 -7.895 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.410 -7.816 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.110 -8.407 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.590 -10.122 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.542 -9.419 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.052 -11.472 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.801 -10.073 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.373 -10.906 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.707 -9.426 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.737 -11.183 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.136 -10.742 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.781 -12.176 -3.493 1.00 0.00 H new ATOM 457 N ASP A 30 -6.707 -5.504 -3.670 1.00 0.00 N ATOM 458 CA ASP A 30 -6.988 -4.506 -4.688 1.00 0.00 C ATOM 459 C ASP A 30 -5.689 -3.794 -5.070 1.00 0.00 C ATOM 460 O ASP A 30 -5.369 -3.670 -6.251 1.00 0.00 O ATOM 461 CB ASP A 30 -7.970 -3.452 -4.172 1.00 0.00 C ATOM 462 CG ASP A 30 -9.446 -3.844 -4.260 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.750 -4.723 -5.097 1.00 0.00 O ATOM 464 OD2 ASP A 30 -10.236 -3.257 -3.491 1.00 0.00 O ATOM 0 H ASP A 30 -7.393 -5.548 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.425 -5.015 -5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.730 -3.232 -3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.820 -2.531 -4.736 1.00 0.00 H new ATOM 470 N PHE A 31 -4.974 -3.346 -4.049 1.00 0.00 N ATOM 471 CA PHE A 31 -3.717 -2.650 -4.263 1.00 0.00 C ATOM 472 C PHE A 31 -2.886 -3.340 -5.347 1.00 0.00 C ATOM 473 O PHE A 31 -2.531 -2.721 -6.349 1.00 0.00 O ATOM 474 CB PHE A 31 -2.948 -2.698 -2.941 1.00 0.00 C ATOM 475 CG PHE A 31 -1.443 -2.464 -3.086 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.622 -3.500 -3.406 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.927 -1.220 -2.898 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.775 -3.284 -3.541 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.470 -1.004 -3.034 1.00 0.00 C ATOM 480 CZ PHE A 31 1.292 -2.040 -3.352 1.00 0.00 C ATOM 0 H PHE A 31 -5.242 -3.452 -3.070 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.909 -1.627 -4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.359 -1.947 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.111 -3.669 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.033 -4.487 -3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.579 -0.397 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.427 -4.107 -3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.880 -0.016 -2.885 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.354 -1.875 -3.454 1.00 0.00 H new ATOM 490 N ASP A 32 -2.600 -4.611 -5.110 1.00 0.00 N ATOM 491 CA ASP A 32 -1.819 -5.392 -6.054 1.00 0.00 C ATOM 492 C ASP A 32 -2.464 -5.305 -7.439 1.00 0.00 C ATOM 493 O ASP A 32 -1.775 -5.382 -8.454 1.00 0.00 O ATOM 494 CB ASP A 32 -1.773 -6.865 -5.645 1.00 0.00 C ATOM 495 CG ASP A 32 -1.011 -7.779 -6.607 1.00 0.00 C ATOM 496 OD1 ASP A 32 -1.574 -8.062 -7.687 1.00 0.00 O ATOM 497 OD2 ASP A 32 0.118 -8.174 -6.241 1.00 0.00 O ATOM 0 H ASP A 32 -2.895 -5.120 -4.277 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.806 -4.990 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.316 -6.939 -4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.795 -7.233 -5.551 1.00 0.00 H new ATOM 503 N ALA A 33 -3.779 -5.145 -7.433 1.00 0.00 N ATOM 504 CA ALA A 33 -4.525 -5.046 -8.678 1.00 0.00 C ATOM 505 C ALA A 33 -4.057 -3.814 -9.452 1.00 0.00 C ATOM 506 O ALA A 33 -3.694 -3.913 -10.624 1.00 0.00 O ATOM 507 CB ALA A 33 -6.024 -5.008 -8.371 1.00 0.00 C ATOM 0 H ALA A 33 -4.347 -5.081 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.342 -5.918 -9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.584 -4.934 -9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.311 -5.919 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.245 -4.144 -7.745 1.00 0.00 H new ATOM 513 N GLU A 34 -4.078 -2.680 -8.767 1.00 0.00 N ATOM 514 CA GLU A 34 -3.660 -1.429 -9.376 1.00 0.00 C ATOM 515 C GLU A 34 -2.133 -1.335 -9.401 1.00 0.00 C ATOM 516 O GLU A 34 -1.573 -0.418 -10.001 1.00 0.00 O ATOM 517 CB GLU A 34 -4.271 -0.231 -8.645 1.00 0.00 C ATOM 518 CG GLU A 34 -3.793 1.087 -9.258 1.00 0.00 C ATOM 519 CD GLU A 34 -4.066 1.123 -10.763 1.00 0.00 C ATOM 520 OE1 GLU A 34 -4.978 0.384 -11.193 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.356 1.888 -11.449 1.00 0.00 O ATOM 0 H GLU A 34 -4.378 -2.602 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.023 -1.409 -10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.358 -0.286 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.998 -0.266 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.299 1.922 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.726 1.211 -9.075 1.00 0.00 H new ATOM 529 N CYS A 35 -1.502 -2.296 -8.742 1.00 0.00 N ATOM 530 CA CYS A 35 -0.051 -2.334 -8.682 1.00 0.00 C ATOM 531 C CYS A 35 0.472 -2.876 -10.013 1.00 0.00 C ATOM 532 O CYS A 35 1.347 -2.273 -10.633 1.00 0.00 O ATOM 533 CB CYS A 35 0.445 -3.161 -7.494 1.00 0.00 C ATOM 534 SG CYS A 35 0.948 -4.871 -7.907 1.00 0.00 S ATOM 0 H CYS A 35 -1.969 -3.054 -8.245 1.00 0.00 H new ATOM 0 HA CYS A 35 0.335 -1.327 -8.525 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.293 -2.647 -7.040 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.343 -3.201 -6.742 1.00 0.00 H new ATOM 539 N LYS A 36 -0.086 -4.009 -10.415 1.00 0.00 N ATOM 540 CA LYS A 36 0.313 -4.640 -11.661 1.00 0.00 C ATOM 541 C LYS A 36 -0.095 -3.746 -12.833 1.00 0.00 C ATOM 542 O LYS A 36 0.531 -3.779 -13.891 1.00 0.00 O ATOM 543 CB LYS A 36 -0.249 -6.060 -11.746 1.00 0.00 C ATOM 544 CG LYS A 36 0.352 -6.954 -10.659 1.00 0.00 C ATOM 545 CD LYS A 36 0.896 -8.253 -11.256 1.00 0.00 C ATOM 546 CE LYS A 36 2.069 -7.974 -12.197 1.00 0.00 C ATOM 547 NZ LYS A 36 2.310 -9.135 -13.084 1.00 0.00 N ATOM 0 H LYS A 36 -0.812 -4.506 -9.899 1.00 0.00 H new ATOM 0 HA LYS A 36 1.397 -4.748 -11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.334 -6.033 -11.641 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.035 -6.482 -12.728 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.153 -6.421 -10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.407 -7.183 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.218 -8.919 -10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.104 -8.768 -11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.859 -7.088 -12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.966 -7.760 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.110 -8.929 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.531 -9.972 -12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.459 -9.321 -13.652 1.00 0.00 H new ATOM 561 N LYS A 37 -1.143 -2.967 -12.606 1.00 0.00 N ATOM 562 CA LYS A 37 -1.642 -2.066 -13.630 1.00 0.00 C ATOM 563 C LYS A 37 -0.796 -0.790 -13.637 1.00 0.00 C ATOM 564 O LYS A 37 -0.238 -0.417 -14.668 1.00 0.00 O ATOM 565 CB LYS A 37 -3.138 -1.809 -13.436 1.00 0.00 C ATOM 566 CG LYS A 37 -3.926 -3.120 -13.458 1.00 0.00 C ATOM 567 CD LYS A 37 -4.043 -3.666 -14.883 1.00 0.00 C ATOM 568 CE LYS A 37 -4.409 -5.151 -14.873 1.00 0.00 C ATOM 569 NZ LYS A 37 -4.416 -5.692 -16.250 1.00 0.00 N ATOM 0 H LYS A 37 -1.660 -2.942 -11.727 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.545 -2.520 -14.616 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.303 -1.297 -12.488 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.502 -1.148 -14.223 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.433 -3.855 -12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.921 -2.957 -13.044 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.801 -3.105 -15.430 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.099 -3.524 -15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.695 -5.704 -14.262 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.390 -5.287 -14.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.666 -6.701 -16.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.114 -5.176 -16.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.472 -5.580 -16.672 1.00 0.00 H new ATOM 583 N LEU A 38 -0.728 -0.157 -12.475 1.00 0.00 N ATOM 584 CA LEU A 38 0.040 1.068 -12.335 1.00 0.00 C ATOM 585 C LEU A 38 1.517 0.772 -12.602 1.00 0.00 C ATOM 586 O LEU A 38 2.123 1.371 -13.489 1.00 0.00 O ATOM 587 CB LEU A 38 -0.221 1.712 -10.971 1.00 0.00 C ATOM 588 CG LEU A 38 0.166 3.186 -10.840 1.00 0.00 C ATOM 589 CD1 LEU A 38 -0.535 3.832 -9.643 1.00 0.00 C ATOM 590 CD2 LEU A 38 1.685 3.350 -10.773 1.00 0.00 C ATOM 0 H LEU A 38 -1.192 -0.470 -11.622 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.278 1.803 -13.075 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.282 1.614 -10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.322 1.146 -10.214 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.174 3.710 -11.733 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.243 4.880 -9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.615 3.764 -9.774 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.247 3.313 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.933 4.407 -10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.072 2.809 -9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.135 2.950 -11.682 1.00 0.00 H new ATOM 602 N PHE A 39 2.054 -0.152 -11.820 1.00 0.00 N ATOM 603 CA PHE A 39 3.449 -0.535 -11.960 1.00 0.00 C ATOM 604 C PHE A 39 3.614 -1.620 -13.025 1.00 0.00 C ATOM 605 O PHE A 39 4.520 -2.448 -12.938 1.00 0.00 O ATOM 606 CB PHE A 39 3.898 -1.091 -10.608 1.00 0.00 C ATOM 607 CG PHE A 39 3.362 -0.312 -9.405 1.00 0.00 C ATOM 608 CD1 PHE A 39 3.637 1.014 -9.276 1.00 0.00 C ATOM 609 CD2 PHE A 39 2.610 -0.946 -8.465 1.00 0.00 C ATOM 610 CE1 PHE A 39 3.138 1.737 -8.159 1.00 0.00 C ATOM 611 CE2 PHE A 39 2.112 -0.222 -7.349 1.00 0.00 C ATOM 612 CZ PHE A 39 2.387 1.103 -7.219 1.00 0.00 C ATOM 0 H PHE A 39 1.548 -0.648 -11.086 1.00 0.00 H new ATOM 0 HA PHE A 39 4.044 0.327 -12.262 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.575 -2.129 -10.529 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.987 -1.092 -10.571 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.234 1.517 -10.022 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.392 -1.999 -8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.355 2.790 -8.057 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.514 -0.725 -6.603 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.009 1.652 -6.369 1.00 0.00 H new ATOM 622 N HIS A 40 2.725 -1.583 -14.007 1.00 0.00 N ATOM 623 CA HIS A 40 2.761 -2.553 -15.087 1.00 0.00 C ATOM 624 C HIS A 40 4.115 -2.483 -15.795 1.00 0.00 C ATOM 625 O HIS A 40 4.596 -3.484 -16.325 1.00 0.00 O ATOM 626 CB HIS A 40 1.582 -2.348 -16.040 1.00 0.00 C ATOM 627 CG HIS A 40 1.691 -1.106 -16.893 1.00 0.00 C ATOM 628 ND1 HIS A 40 1.481 -1.116 -18.261 1.00 0.00 N ATOM 629 CD2 HIS A 40 1.988 0.181 -16.557 1.00 0.00 C ATOM 630 CE1 HIS A 40 1.648 0.118 -18.717 1.00 0.00 C ATOM 631 NE2 HIS A 40 1.962 0.919 -17.660 1.00 0.00 N ATOM 0 H HIS A 40 1.975 -0.895 -14.077 1.00 0.00 H new ATOM 0 HA HIS A 40 2.654 -3.559 -14.681 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.499 -3.218 -16.692 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.662 -2.297 -15.458 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.207 0.540 -15.562 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.552 0.433 -19.746 1.00 0.00 H new ATOM 0 HE2 HIS A 40 2.147 1.921 -17.709 1.00 0.00 H new ATOM 640 N THR A 41 4.694 -1.291 -15.780 1.00 0.00 N ATOM 641 CA THR A 41 5.983 -1.078 -16.415 1.00 0.00 C ATOM 642 C THR A 41 7.013 -0.609 -15.384 1.00 0.00 C ATOM 643 O THR A 41 7.431 0.548 -15.400 1.00 0.00 O ATOM 644 CB THR A 41 5.786 -0.092 -17.567 1.00 0.00 C ATOM 645 OG1 THR A 41 5.045 0.978 -16.987 1.00 0.00 O ATOM 646 CG2 THR A 41 4.859 -0.640 -18.654 1.00 0.00 C ATOM 0 H THR A 41 4.294 -0.463 -15.338 1.00 0.00 H new ATOM 0 HA THR A 41 6.379 -2.006 -16.827 1.00 0.00 H new ATOM 0 HB THR A 41 6.754 0.153 -18.004 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.574 1.393 -16.274 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.753 0.099 -19.448 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.282 -1.556 -19.065 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.880 -0.854 -18.224 1.00 0.00 H new ATOM 654 N ILE A 42 7.392 -1.531 -14.512 1.00 0.00 N ATOM 655 CA ILE A 42 8.364 -1.228 -13.476 1.00 0.00 C ATOM 656 C ILE A 42 9.191 -2.479 -13.176 1.00 0.00 C ATOM 657 O ILE A 42 8.667 -3.592 -13.187 1.00 0.00 O ATOM 658 CB ILE A 42 7.671 -0.639 -12.246 1.00 0.00 C ATOM 659 CG1 ILE A 42 6.985 0.686 -12.585 1.00 0.00 C ATOM 660 CG2 ILE A 42 8.651 -0.495 -11.080 1.00 0.00 C ATOM 661 CD1 ILE A 42 6.728 1.511 -11.322 1.00 0.00 C ATOM 0 H ILE A 42 7.043 -2.489 -14.502 1.00 0.00 H new ATOM 0 HA ILE A 42 9.059 -0.461 -13.819 1.00 0.00 H new ATOM 0 HB ILE A 42 6.893 -1.333 -11.928 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.608 1.256 -13.275 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.041 0.491 -13.094 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.132 -0.074 -10.219 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.052 -1.474 -10.819 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.468 0.166 -11.371 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.240 2.447 -11.592 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.085 0.949 -10.645 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.676 1.725 -10.828 1.00 0.00 H new ATOM 673 N PRO A 43 10.505 -2.250 -12.907 1.00 0.00 N ATOM 674 CA PRO A 43 11.409 -3.347 -12.604 1.00 0.00 C ATOM 675 C PRO A 43 11.175 -3.874 -11.187 1.00 0.00 C ATOM 676 O PRO A 43 11.654 -3.289 -10.216 1.00 0.00 O ATOM 677 CB PRO A 43 12.803 -2.772 -12.802 1.00 0.00 C ATOM 678 CG PRO A 43 12.642 -1.262 -12.755 1.00 0.00 C ATOM 679 CD PRO A 43 11.161 -0.946 -12.884 1.00 0.00 C ATOM 0 HA PRO A 43 11.254 -4.212 -13.249 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.482 -3.117 -12.022 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.225 -3.090 -13.755 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.037 -0.865 -11.820 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.204 -0.793 -13.563 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.811 -0.341 -12.048 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.954 -0.382 -13.794 1.00 0.00 H new ATOM 687 N PHE A 44 10.441 -4.974 -11.113 1.00 0.00 N ATOM 688 CA PHE A 44 10.138 -5.587 -9.830 1.00 0.00 C ATOM 689 C PHE A 44 9.051 -4.803 -9.090 1.00 0.00 C ATOM 690 O PHE A 44 8.672 -5.162 -7.977 1.00 0.00 O ATOM 691 CB PHE A 44 11.425 -5.555 -9.005 1.00 0.00 C ATOM 692 CG PHE A 44 11.663 -6.817 -8.173 1.00 0.00 C ATOM 693 CD1 PHE A 44 12.301 -7.884 -8.724 1.00 0.00 C ATOM 694 CD2 PHE A 44 11.237 -6.872 -6.882 1.00 0.00 C ATOM 695 CE1 PHE A 44 12.522 -9.055 -7.953 1.00 0.00 C ATOM 696 CE2 PHE A 44 11.458 -8.044 -6.111 1.00 0.00 C ATOM 697 CZ PHE A 44 12.095 -9.111 -6.663 1.00 0.00 C ATOM 0 H PHE A 44 10.047 -5.457 -11.920 1.00 0.00 H new ATOM 0 HA PHE A 44 9.776 -6.604 -9.980 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.271 -5.410 -9.677 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.396 -4.693 -8.338 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.640 -7.840 -9.749 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.731 -6.025 -6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.029 -9.902 -8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 44 11.120 -8.088 -5.086 1.00 0.00 H new ATOM 0 HZ PHE A 44 12.262 -10.003 -6.077 1.00 0.00 H new ATOM 707 N GLY A 45 8.582 -3.748 -9.740 1.00 0.00 N ATOM 708 CA GLY A 45 7.547 -2.910 -9.159 1.00 0.00 C ATOM 709 C GLY A 45 6.416 -3.762 -8.577 1.00 0.00 C ATOM 710 O GLY A 45 6.128 -3.687 -7.383 1.00 0.00 O ATOM 0 H GLY A 45 8.900 -3.454 -10.664 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.977 -2.285 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.148 -2.239 -9.919 1.00 0.00 H new ATOM 714 N THR A 46 5.805 -4.550 -9.447 1.00 0.00 N ATOM 715 CA THR A 46 4.712 -5.416 -9.036 1.00 0.00 C ATOM 716 C THR A 46 5.203 -6.451 -8.024 1.00 0.00 C ATOM 717 O THR A 46 4.508 -6.757 -7.056 1.00 0.00 O ATOM 718 CB THR A 46 4.101 -6.036 -10.294 1.00 0.00 C ATOM 719 OG1 THR A 46 5.108 -6.928 -10.765 1.00 0.00 O ATOM 720 CG2 THR A 46 3.939 -5.023 -11.428 1.00 0.00 C ATOM 0 H THR A 46 6.045 -4.608 -10.437 1.00 0.00 H new ATOM 0 HA THR A 46 3.932 -4.853 -8.523 1.00 0.00 H new ATOM 0 HB THR A 46 3.129 -6.466 -10.051 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.048 -7.003 -11.740 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.501 -5.516 -12.296 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.286 -4.214 -11.102 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.915 -4.617 -11.695 1.00 0.00 H new ATOM 728 N ARG A 47 6.399 -6.962 -8.281 1.00 0.00 N ATOM 729 CA ARG A 47 6.992 -7.958 -7.403 1.00 0.00 C ATOM 730 C ARG A 47 7.015 -7.448 -5.962 1.00 0.00 C ATOM 731 O ARG A 47 6.829 -8.220 -5.023 1.00 0.00 O ATOM 732 CB ARG A 47 8.417 -8.297 -7.840 1.00 0.00 C ATOM 733 CG ARG A 47 8.413 -9.137 -9.120 1.00 0.00 C ATOM 734 CD ARG A 47 7.839 -10.531 -8.859 1.00 0.00 C ATOM 735 NE ARG A 47 8.846 -11.563 -9.189 1.00 0.00 N ATOM 736 CZ ARG A 47 8.615 -12.882 -9.138 1.00 0.00 C ATOM 737 NH1 ARG A 47 7.409 -13.337 -8.771 1.00 0.00 N ATOM 738 NH2 ARG A 47 9.590 -13.746 -9.454 1.00 0.00 N ATOM 0 H ARG A 47 6.973 -6.705 -9.084 1.00 0.00 H new ATOM 0 HA ARG A 47 6.382 -8.859 -7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.979 -7.378 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.925 -8.842 -7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.823 -8.635 -9.887 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.429 -9.224 -9.505 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.543 -10.621 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.942 -10.682 -9.459 1.00 0.00 H new ATOM 0 HE ARG A 47 9.775 -11.251 -9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.667 -12.679 -8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.233 -14.341 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.508 -13.399 -9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.414 -14.750 -9.415 1.00 0.00 H new ATOM 752 N GLU A 48 7.245 -6.149 -5.830 1.00 0.00 N ATOM 753 CA GLU A 48 7.296 -5.527 -4.519 1.00 0.00 C ATOM 754 C GLU A 48 5.881 -5.307 -3.980 1.00 0.00 C ATOM 755 O GLU A 48 5.645 -5.426 -2.778 1.00 0.00 O ATOM 756 CB GLU A 48 8.075 -4.210 -4.565 1.00 0.00 C ATOM 757 CG GLU A 48 9.024 -4.091 -3.372 1.00 0.00 C ATOM 758 CD GLU A 48 9.949 -5.308 -3.284 1.00 0.00 C ATOM 759 OE1 GLU A 48 10.840 -5.407 -4.155 1.00 0.00 O ATOM 760 OE2 GLU A 48 9.744 -6.110 -2.348 1.00 0.00 O ATOM 0 H GLU A 48 7.398 -5.511 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 48 7.822 -6.199 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.643 -4.152 -5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.379 -3.372 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.620 -3.183 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.447 -4.001 -2.451 1.00 0.00 H new ATOM 768 N CYS A 49 4.976 -4.992 -4.895 1.00 0.00 N ATOM 769 CA CYS A 49 3.590 -4.755 -4.527 1.00 0.00 C ATOM 770 C CYS A 49 3.079 -5.981 -3.767 1.00 0.00 C ATOM 771 O CYS A 49 2.377 -5.846 -2.765 1.00 0.00 O ATOM 772 CB CYS A 49 2.727 -4.441 -5.750 1.00 0.00 C ATOM 773 SG CYS A 49 1.582 -5.780 -6.246 1.00 0.00 S ATOM 0 H CYS A 49 5.175 -4.895 -5.891 1.00 0.00 H new ATOM 0 HA CYS A 49 3.526 -3.877 -3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.145 -3.542 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.382 -4.213 -6.591 1.00 0.00 H new ATOM 778 N ASP A 50 3.452 -7.148 -4.270 1.00 0.00 N ATOM 779 CA ASP A 50 3.040 -8.396 -3.651 1.00 0.00 C ATOM 780 C ASP A 50 3.688 -8.513 -2.270 1.00 0.00 C ATOM 781 O ASP A 50 3.063 -8.991 -1.325 1.00 0.00 O ATOM 782 CB ASP A 50 3.485 -9.598 -4.486 1.00 0.00 C ATOM 783 CG ASP A 50 2.396 -10.640 -4.750 1.00 0.00 C ATOM 784 OD1 ASP A 50 1.843 -11.149 -3.752 1.00 0.00 O ATOM 785 OD2 ASP A 50 2.141 -10.903 -5.946 1.00 0.00 O ATOM 0 H ASP A 50 4.035 -7.256 -5.100 1.00 0.00 H new ATOM 0 HA ASP A 50 1.953 -8.393 -3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.861 -9.237 -5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.318 -10.085 -3.979 1.00 0.00 H new ATOM 791 N HIS A 51 4.934 -8.069 -2.196 1.00 0.00 N ATOM 792 CA HIS A 51 5.674 -8.118 -0.947 1.00 0.00 C ATOM 793 C HIS A 51 5.367 -6.869 -0.119 1.00 0.00 C ATOM 794 O HIS A 51 6.050 -6.588 0.865 1.00 0.00 O ATOM 795 CB HIS A 51 7.170 -8.302 -1.209 1.00 0.00 C ATOM 796 CG HIS A 51 8.005 -8.404 0.046 1.00 0.00 C ATOM 797 ND1 HIS A 51 7.965 -9.504 0.886 1.00 0.00 N ATOM 798 CD2 HIS A 51 8.900 -7.534 0.593 1.00 0.00 C ATOM 799 CE1 HIS A 51 8.803 -9.292 1.890 1.00 0.00 C ATOM 800 NE2 HIS A 51 9.382 -8.072 1.707 1.00 0.00 N ATOM 0 H HIS A 51 5.450 -7.673 -2.982 1.00 0.00 H new ATOM 0 HA HIS A 51 5.356 -8.984 -0.366 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.316 -9.203 -1.805 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.530 -7.464 -1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.171 -6.570 0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.994 -9.968 2.710 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.072 -7.643 2.324 1.00 0.00 H new ATOM 809 N TYR A 52 4.338 -6.152 -0.548 1.00 0.00 N ATOM 810 CA TYR A 52 3.932 -4.939 0.142 1.00 0.00 C ATOM 811 C TYR A 52 2.581 -5.129 0.834 1.00 0.00 C ATOM 812 O TYR A 52 2.429 -4.796 2.009 1.00 0.00 O ATOM 813 CB TYR A 52 3.792 -3.866 -0.940 1.00 0.00 C ATOM 814 CG TYR A 52 3.637 -2.446 -0.392 1.00 0.00 C ATOM 815 CD1 TYR A 52 4.698 -1.831 0.238 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.435 -1.781 -0.527 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.554 -0.494 0.754 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.289 -0.445 -0.012 1.00 0.00 C ATOM 819 CZ TYR A 52 3.355 0.133 0.604 1.00 0.00 C ATOM 820 OH TYR A 52 3.219 1.395 1.092 1.00 0.00 O ATOM 0 H TYR A 52 3.774 -6.388 -1.364 1.00 0.00 H new ATOM 0 HA TYR A 52 4.661 -4.669 0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.668 -3.901 -1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.927 -4.101 -1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.638 -2.352 0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.604 -2.263 -1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.378 -0.001 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.354 0.086 -0.112 1.00 0.00 H new ATOM 0 HH TYR A 52 4.030 1.910 0.897 1.00 0.00 H new ATOM 830 N VAL A 53 1.633 -5.660 0.077 1.00 0.00 N ATOM 831 CA VAL A 53 0.300 -5.898 0.602 1.00 0.00 C ATOM 832 C VAL A 53 0.401 -6.725 1.885 1.00 0.00 C ATOM 833 O VAL A 53 -0.528 -6.746 2.690 1.00 0.00 O ATOM 834 CB VAL A 53 -0.575 -6.557 -0.466 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.682 -5.672 -1.710 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.047 -7.947 -0.827 1.00 0.00 C ATOM 0 H VAL A 53 1.762 -5.933 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.181 -4.955 0.860 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.576 -6.676 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.309 -6.164 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.125 -4.714 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.312 -5.507 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.687 -8.393 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.969 -7.862 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.046 -8.578 0.062 1.00 0.00 H new ATOM 846 N ASN A 54 1.540 -7.388 2.035 1.00 0.00 N ATOM 847 CA ASN A 54 1.775 -8.215 3.205 1.00 0.00 C ATOM 848 C ASN A 54 3.188 -7.954 3.733 1.00 0.00 C ATOM 849 O ASN A 54 4.061 -8.816 3.634 1.00 0.00 O ATOM 850 CB ASN A 54 1.667 -9.701 2.861 1.00 0.00 C ATOM 851 CG ASN A 54 0.260 -10.231 3.154 1.00 0.00 C ATOM 852 OD1 ASN A 54 -0.532 -10.489 2.262 1.00 0.00 O ATOM 853 ND2 ASN A 54 -0.005 -10.376 4.449 1.00 0.00 N ATOM 0 H ASN A 54 2.309 -7.368 1.365 1.00 0.00 H new ATOM 0 HA ASN A 54 1.023 -7.963 3.952 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.905 -9.852 1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.400 -10.266 3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.917 -10.722 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.704 -10.141 5.144 1.00 0.00 H new ATOM 860 N SER A 55 3.369 -6.763 4.283 1.00 0.00 N ATOM 861 CA SER A 55 4.661 -6.377 4.826 1.00 0.00 C ATOM 862 C SER A 55 4.649 -4.895 5.204 1.00 0.00 C ATOM 863 O SER A 55 5.299 -4.492 6.167 1.00 0.00 O ATOM 864 CB SER A 55 5.785 -6.662 3.828 1.00 0.00 C ATOM 865 OG SER A 55 6.720 -7.612 4.331 1.00 0.00 O ATOM 0 H SER A 55 2.643 -6.052 4.365 1.00 0.00 H new ATOM 0 HA SER A 55 4.847 -6.971 5.721 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.357 -7.033 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.304 -5.733 3.592 1.00 0.00 H new ATOM 0 HG SER A 55 6.309 -8.502 4.340 1.00 0.00 H new ATOM 871 N LYS A 56 3.903 -4.126 4.426 1.00 0.00 N ATOM 872 CA LYS A 56 3.798 -2.696 4.667 1.00 0.00 C ATOM 873 C LYS A 56 2.322 -2.294 4.691 1.00 0.00 C ATOM 874 O LYS A 56 1.998 -1.112 4.783 1.00 0.00 O ATOM 875 CB LYS A 56 4.631 -1.917 3.648 1.00 0.00 C ATOM 876 CG LYS A 56 6.088 -2.384 3.659 1.00 0.00 C ATOM 877 CD LYS A 56 6.991 -1.382 2.938 1.00 0.00 C ATOM 878 CE LYS A 56 8.464 -1.769 3.079 1.00 0.00 C ATOM 879 NZ LYS A 56 9.154 -1.674 1.773 1.00 0.00 N ATOM 0 H LYS A 56 3.365 -4.465 3.628 1.00 0.00 H new ATOM 0 HA LYS A 56 4.214 -2.443 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.210 -2.050 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.585 -0.852 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.426 -2.508 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.165 -3.359 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.722 -1.339 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.833 -0.384 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.950 -1.114 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.543 -2.785 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.153 -1.940 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.700 -2.317 1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.094 -0.698 1.419 1.00 0.00 H new ATOM 893 N VAL A 57 1.466 -3.302 4.605 1.00 0.00 N ATOM 894 CA VAL A 57 0.032 -3.069 4.616 1.00 0.00 C ATOM 895 C VAL A 57 -0.499 -3.241 6.040 1.00 0.00 C ATOM 896 O VAL A 57 -1.285 -2.423 6.516 1.00 0.00 O ATOM 897 CB VAL A 57 -0.656 -3.991 3.606 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.882 -4.665 4.225 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.034 -3.228 2.334 1.00 0.00 C ATOM 0 H VAL A 57 1.738 -4.282 4.527 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.190 -2.047 4.308 1.00 0.00 H new ATOM 0 HB VAL A 57 0.052 -4.772 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.352 -5.314 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.575 -5.258 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.594 -3.903 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.521 -3.907 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.716 -2.416 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.135 -2.817 1.875 1.00 0.00 H new ATOM 909 N ASP A 58 -0.047 -4.309 6.681 1.00 0.00 N ATOM 910 CA ASP A 58 -0.466 -4.599 8.041 1.00 0.00 C ATOM 911 C ASP A 58 -0.279 -3.350 8.905 1.00 0.00 C ATOM 912 O ASP A 58 -1.158 -2.994 9.688 1.00 0.00 O ATOM 913 CB ASP A 58 0.373 -5.725 8.648 1.00 0.00 C ATOM 914 CG ASP A 58 -0.428 -6.816 9.360 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.063 -6.480 10.382 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.387 -7.964 8.865 1.00 0.00 O ATOM 0 H ASP A 58 0.606 -4.984 6.283 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.512 -4.904 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.962 -6.186 7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.078 -5.291 9.357 1.00 0.00 H new ATOM 922 N PRO A 59 0.904 -2.702 8.729 1.00 0.00 N ATOM 923 CA PRO A 59 1.218 -1.501 9.483 1.00 0.00 C ATOM 924 C PRO A 59 0.440 -0.298 8.948 1.00 0.00 C ATOM 925 O PRO A 59 -0.292 0.353 9.690 1.00 0.00 O ATOM 926 CB PRO A 59 2.725 -1.339 9.355 1.00 0.00 C ATOM 927 CG PRO A 59 3.134 -2.182 8.158 1.00 0.00 C ATOM 928 CD PRO A 59 1.969 -3.094 7.811 1.00 0.00 C ATOM 0 HA PRO A 59 0.926 -1.574 10.531 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.994 -0.293 9.207 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.232 -1.673 10.260 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.386 -1.545 7.310 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.023 -2.769 8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.663 -2.967 6.773 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.236 -4.143 7.939 1.00 0.00 H new ATOM 936 N ILE A 60 0.625 -0.038 7.662 1.00 0.00 N ATOM 937 CA ILE A 60 -0.051 1.076 7.018 1.00 0.00 C ATOM 938 C ILE A 60 -1.523 1.084 7.436 1.00 0.00 C ATOM 939 O ILE A 60 -2.008 2.069 7.989 1.00 0.00 O ATOM 940 CB ILE A 60 0.158 1.026 5.503 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.569 1.484 5.127 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.920 1.832 4.774 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.774 1.444 3.612 1.00 0.00 C ATOM 0 H ILE A 60 1.233 -0.580 7.048 1.00 0.00 H new ATOM 0 HA ILE A 60 0.379 2.023 7.345 1.00 0.00 H new ATOM 0 HB ILE A 60 0.060 -0.010 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.736 2.497 5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.305 0.844 5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.748 1.780 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.902 1.419 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.878 2.872 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.785 1.774 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.630 0.425 3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.053 2.104 3.130 1.00 0.00 H new ATOM 955 N ILE A 61 -2.190 -0.025 7.156 1.00 0.00 N ATOM 956 CA ILE A 61 -3.597 -0.158 7.496 1.00 0.00 C ATOM 957 C ILE A 61 -3.770 0.014 9.007 1.00 0.00 C ATOM 958 O ILE A 61 -4.853 0.364 9.475 1.00 0.00 O ATOM 959 CB ILE A 61 -4.156 -1.477 6.960 1.00 0.00 C ATOM 960 CG1 ILE A 61 -3.859 -1.633 5.467 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.650 -1.605 7.264 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.978 -2.403 4.763 1.00 0.00 C ATOM 0 H ILE A 61 -1.783 -0.840 6.698 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.181 0.627 7.016 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.652 -2.295 7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.746 -0.650 5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.912 -2.157 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.021 -2.552 6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.806 -1.573 8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.189 -0.782 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.742 -2.500 3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.072 -3.395 5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.918 -1.864 4.878 1.00 0.00 H new ATOM 974 N HIS A 62 -2.687 -0.238 9.727 1.00 0.00 N ATOM 975 CA HIS A 62 -2.706 -0.115 11.174 1.00 0.00 C ATOM 976 C HIS A 62 -2.949 1.346 11.562 1.00 0.00 C ATOM 977 O HIS A 62 -3.769 1.632 12.433 1.00 0.00 O ATOM 978 CB HIS A 62 -1.424 -0.684 11.785 1.00 0.00 C ATOM 979 CG HIS A 62 -0.438 0.367 12.235 1.00 0.00 C ATOM 980 ND1 HIS A 62 -0.784 1.406 13.082 1.00 0.00 N ATOM 981 CD2 HIS A 62 0.886 0.528 11.948 1.00 0.00 C ATOM 982 CE1 HIS A 62 0.292 2.152 13.288 1.00 0.00 C ATOM 983 NE2 HIS A 62 1.325 1.608 12.583 1.00 0.00 N ATOM 0 H HIS A 62 -1.791 -0.527 9.335 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.527 -0.705 11.581 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.687 -1.309 12.638 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.941 -1.331 11.053 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.709 1.569 13.480 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.477 -0.114 11.312 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.342 3.036 13.906 1.00 0.00 H new ATOM 992 N GLU A 63 -2.221 2.230 10.897 1.00 0.00 N ATOM 993 CA GLU A 63 -2.346 3.653 11.160 1.00 0.00 C ATOM 994 C GLU A 63 -3.776 4.120 10.880 1.00 0.00 C ATOM 995 O GLU A 63 -4.399 4.767 11.720 1.00 0.00 O ATOM 996 CB GLU A 63 -1.336 4.455 10.338 1.00 0.00 C ATOM 997 CG GLU A 63 -0.178 4.940 11.214 1.00 0.00 C ATOM 998 CD GLU A 63 0.937 3.894 11.277 1.00 0.00 C ATOM 999 OE1 GLU A 63 0.929 3.002 10.401 1.00 0.00 O ATOM 1000 OE2 GLU A 63 1.770 4.008 12.201 1.00 0.00 O ATOM 0 H GLU A 63 -1.542 1.988 10.176 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.126 3.828 12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.950 3.838 9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.832 5.310 9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.217 5.875 10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.541 5.150 12.220 1.00 0.00 H new ATOM 1008 N LEU A 64 -4.255 3.775 9.693 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.599 4.151 9.291 1.00 0.00 C ATOM 1010 C LEU A 64 -6.608 3.554 10.274 1.00 0.00 C ATOM 1011 O LEU A 64 -7.609 4.188 10.604 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.853 3.756 7.834 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.809 4.229 6.820 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -5.000 3.530 5.472 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -4.830 5.753 6.684 1.00 0.00 C ATOM 0 H LEU A 64 -3.736 3.239 8.997 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.718 5.234 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.918 2.669 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.825 4.149 7.536 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.822 3.952 7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.246 3.883 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.898 2.453 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.993 3.755 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.079 6.064 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.816 6.075 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.610 6.208 7.650 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.309 2.340 10.714 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.177 1.650 11.653 1.00 0.00 C ATOM 1029 C GLU A 65 -7.321 2.464 12.940 1.00 0.00 C ATOM 1030 O GLU A 65 -8.433 2.700 13.408 1.00 0.00 O ATOM 1031 CB GLU A 65 -6.655 0.243 11.949 1.00 0.00 C ATOM 1032 CG GLU A 65 -7.420 -0.808 11.140 1.00 0.00 C ATOM 1033 CD GLU A 65 -7.177 -2.212 11.698 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -6.002 -2.639 11.670 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -8.172 -2.827 12.139 1.00 0.00 O ATOM 0 H GLU A 65 -5.478 1.817 10.438 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.163 1.548 11.199 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.593 0.188 11.711 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.755 0.031 13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.486 -0.584 11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.107 -0.768 10.097 1.00 0.00 H new ATOM 1043 N GLY A 66 -6.179 2.871 13.475 1.00 0.00 N ATOM 1044 CA GLY A 66 -6.164 3.655 14.700 1.00 0.00 C ATOM 1045 C GLY A 66 -6.888 4.988 14.506 1.00 0.00 C ATOM 1046 O GLY A 66 -7.685 5.393 15.350 1.00 0.00 O ATOM 0 H GLY A 66 -5.258 2.673 13.084 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.640 3.092 15.502 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.134 3.838 15.007 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.585 5.633 13.390 1.00 0.00 N ATOM 1051 CA GLY A 67 -7.198 6.913 13.074 1.00 0.00 C ATOM 1052 C GLY A 67 -6.157 7.906 12.554 1.00 0.00 C ATOM 1053 O GLY A 67 -6.159 9.073 12.941 1.00 0.00 O ATOM 0 H GLY A 67 -5.923 5.294 12.692 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.977 6.772 12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.680 7.319 13.963 1.00 0.00 H new ATOM 1057 N THR A 68 -5.291 7.405 11.686 1.00 0.00 N ATOM 1058 CA THR A 68 -4.245 8.234 11.108 1.00 0.00 C ATOM 1059 C THR A 68 -4.473 8.409 9.606 1.00 0.00 C ATOM 1060 O THR A 68 -4.700 7.434 8.891 1.00 0.00 O ATOM 1061 CB THR A 68 -2.896 7.599 11.448 1.00 0.00 C ATOM 1062 OG1 THR A 68 -2.628 8.042 12.776 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.749 8.182 10.622 1.00 0.00 C ATOM 0 H THR A 68 -5.291 6.436 11.368 1.00 0.00 H new ATOM 0 HA THR A 68 -4.261 9.240 11.527 1.00 0.00 H new ATOM 0 HB THR A 68 -2.950 6.523 11.284 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.771 7.674 13.077 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.815 7.696 10.903 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.941 8.013 9.562 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.672 9.253 10.811 1.00 0.00 H new ATOM 1071 N ALA A 69 -4.404 9.658 9.171 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.599 9.974 7.766 1.00 0.00 C ATOM 1073 C ALA A 69 -3.600 9.178 6.925 1.00 0.00 C ATOM 1074 O ALA A 69 -2.606 8.674 7.448 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.464 11.483 7.558 1.00 0.00 C ATOM 0 H ALA A 69 -4.216 10.464 9.767 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.601 9.689 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.610 11.720 6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.215 12.001 8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.470 11.805 7.868 1.00 0.00 H new ATOM 1081 N PRO A 70 -3.904 9.087 5.603 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.044 8.361 4.684 1.00 0.00 C ATOM 1083 C PRO A 70 -1.776 9.159 4.373 1.00 0.00 C ATOM 1084 O PRO A 70 -0.803 8.611 3.857 1.00 0.00 O ATOM 1085 CB PRO A 70 -3.903 8.108 3.456 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.052 9.099 3.541 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.071 9.672 4.950 1.00 0.00 C ATOM 0 HA PRO A 70 -2.683 7.421 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.329 8.253 2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.272 7.082 3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.925 9.895 2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.998 8.607 3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.013 10.760 4.936 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.991 9.409 5.472 1.00 0.00 H new ATOM 1095 N LYS A 71 -1.827 10.442 4.702 1.00 0.00 N ATOM 1096 CA LYS A 71 -0.695 11.321 4.464 1.00 0.00 C ATOM 1097 C LYS A 71 0.138 11.431 5.742 1.00 0.00 C ATOM 1098 O LYS A 71 1.112 12.181 5.791 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.169 12.670 3.920 1.00 0.00 C ATOM 1100 CG LYS A 71 -1.030 12.728 2.398 1.00 0.00 C ATOM 1101 CD LYS A 71 -2.317 13.241 1.749 1.00 0.00 C ATOM 1102 CE LYS A 71 -3.363 12.130 1.649 1.00 0.00 C ATOM 1103 NZ LYS A 71 -4.704 12.700 1.396 1.00 0.00 N ATOM 0 H LYS A 71 -2.635 10.893 5.131 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.045 10.904 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.210 12.833 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.587 13.473 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.198 13.380 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.795 11.736 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.717 14.070 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.097 13.628 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.096 11.443 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.376 11.551 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.401 11.931 1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.963 13.337 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.692 13.233 0.503 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.277 10.674 6.747 1.00 0.00 N ATOM 1118 CA ASP A 72 0.418 10.677 8.024 1.00 0.00 C ATOM 1119 C ASP A 72 1.184 9.362 8.185 1.00 0.00 C ATOM 1120 O ASP A 72 2.246 9.331 8.805 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.568 10.795 9.188 1.00 0.00 C ATOM 1122 CG ASP A 72 -0.868 12.226 9.638 1.00 0.00 C ATOM 1123 OD1 ASP A 72 -0.841 13.115 8.759 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -1.116 12.400 10.851 1.00 0.00 O ATOM 0 H ASP A 72 -1.086 10.054 6.703 1.00 0.00 H new ATOM 0 HA ASP A 72 1.095 11.531 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.504 10.316 8.901 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.172 10.238 10.038 1.00 0.00 H new ATOM 1130 N VAL A 73 0.616 8.309 7.616 1.00 0.00 N ATOM 1131 CA VAL A 73 1.232 6.995 7.690 1.00 0.00 C ATOM 1132 C VAL A 73 2.516 6.993 6.858 1.00 0.00 C ATOM 1133 O VAL A 73 3.556 6.522 7.317 1.00 0.00 O ATOM 1134 CB VAL A 73 0.232 5.923 7.251 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.623 4.551 7.804 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.191 6.298 7.666 1.00 0.00 C ATOM 0 H VAL A 73 -0.264 8.339 7.102 1.00 0.00 H new ATOM 0 HA VAL A 73 1.510 6.759 8.717 1.00 0.00 H new ATOM 0 HB VAL A 73 0.258 5.865 6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.103 3.807 7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.612 4.279 7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.639 4.589 8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.882 5.519 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.239 6.398 8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.468 7.245 7.202 1.00 0.00 H new ATOM 1146 N CYS A 74 2.401 7.522 5.649 1.00 0.00 N ATOM 1147 CA CYS A 74 3.540 7.586 4.749 1.00 0.00 C ATOM 1148 C CYS A 74 4.412 8.773 5.161 1.00 0.00 C ATOM 1149 O CYS A 74 4.520 9.754 4.426 1.00 0.00 O ATOM 1150 CB CYS A 74 3.101 7.681 3.287 1.00 0.00 C ATOM 1151 SG CYS A 74 1.539 6.810 2.895 1.00 0.00 S ATOM 0 H CYS A 74 1.537 7.910 5.272 1.00 0.00 H new ATOM 0 HA CYS A 74 4.120 6.666 4.827 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.990 8.733 3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.894 7.277 2.657 1.00 0.00 H new ATOM 1156 N THR A 75 5.013 8.647 6.335 1.00 0.00 N ATOM 1157 CA THR A 75 5.873 9.697 6.854 1.00 0.00 C ATOM 1158 C THR A 75 6.496 9.268 8.184 1.00 0.00 C ATOM 1159 O THR A 75 7.718 9.215 8.311 1.00 0.00 O ATOM 1160 CB THR A 75 5.042 10.978 6.957 1.00 0.00 C ATOM 1161 OG1 THR A 75 5.470 11.760 5.845 1.00 0.00 O ATOM 1162 CG2 THR A 75 5.422 11.824 8.175 1.00 0.00 C ATOM 0 H THR A 75 4.921 7.833 6.942 1.00 0.00 H new ATOM 0 HA THR A 75 6.712 9.888 6.186 1.00 0.00 H new ATOM 0 HB THR A 75 3.984 10.722 7.007 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.264 11.285 5.013 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.804 12.721 8.202 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.261 11.245 9.084 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.472 12.109 8.107 1.00 0.00 H new ATOM 1170 N LYS A 76 5.628 8.972 9.140 1.00 0.00 N ATOM 1171 CA LYS A 76 6.079 8.549 10.455 1.00 0.00 C ATOM 1172 C LYS A 76 6.565 7.100 10.381 1.00 0.00 C ATOM 1173 O LYS A 76 7.406 6.682 11.175 1.00 0.00 O ATOM 1174 CB LYS A 76 4.982 8.777 11.496 1.00 0.00 C ATOM 1175 CG LYS A 76 4.829 10.266 11.814 1.00 0.00 C ATOM 1176 CD LYS A 76 3.354 10.662 11.892 1.00 0.00 C ATOM 1177 CE LYS A 76 3.169 11.929 12.729 1.00 0.00 C ATOM 1178 NZ LYS A 76 2.190 11.694 13.815 1.00 0.00 N ATOM 0 H LYS A 76 4.615 9.017 9.030 1.00 0.00 H new ATOM 0 HA LYS A 76 6.926 9.153 10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.036 8.382 11.126 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.221 8.229 12.408 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.320 10.491 12.761 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.328 10.858 11.047 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.964 10.826 10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.778 9.846 12.328 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.125 12.235 13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.827 12.745 12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.076 12.564 14.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.274 11.424 13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.532 10.929 14.431 1.00 0.00 H new ATOM 1192 N LEU A 77 6.014 6.373 9.420 1.00 0.00 N ATOM 1193 CA LEU A 77 6.380 4.979 9.232 1.00 0.00 C ATOM 1194 C LEU A 77 7.631 4.900 8.354 1.00 0.00 C ATOM 1195 O LEU A 77 8.007 3.821 7.899 1.00 0.00 O ATOM 1196 CB LEU A 77 5.195 4.183 8.686 1.00 0.00 C ATOM 1197 CG LEU A 77 3.981 4.067 9.611 1.00 0.00 C ATOM 1198 CD1 LEU A 77 4.201 2.984 10.670 1.00 0.00 C ATOM 1199 CD2 LEU A 77 3.639 5.420 10.237 1.00 0.00 C ATOM 0 H LEU A 77 5.317 6.723 8.763 1.00 0.00 H new ATOM 0 HA LEU A 77 6.630 4.518 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.873 4.644 7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.539 3.178 8.443 1.00 0.00 H new ATOM 0 HG LEU A 77 3.122 3.763 9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.324 2.922 11.314 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.360 2.023 10.180 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.075 3.235 11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.773 5.310 10.890 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.489 5.777 10.819 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.411 6.138 9.449 1.00 0.00 H new ATOM 1211 N ASN A 78 8.242 6.057 8.142 1.00 0.00 N ATOM 1212 CA ASN A 78 9.442 6.131 7.327 1.00 0.00 C ATOM 1213 C ASN A 78 9.229 5.336 6.038 1.00 0.00 C ATOM 1214 O ASN A 78 10.163 4.732 5.515 1.00 0.00 O ATOM 1215 CB ASN A 78 10.644 5.530 8.060 1.00 0.00 C ATOM 1216 CG ASN A 78 11.857 6.457 7.976 1.00 0.00 C ATOM 1217 OD1 ASN A 78 12.120 7.259 8.857 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.580 6.304 6.871 1.00 0.00 N ATOM 0 H ASN A 78 7.928 6.950 8.521 1.00 0.00 H new ATOM 0 HA ASN A 78 9.639 7.181 7.112 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.387 5.355 9.105 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.892 4.561 7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.411 6.877 6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.304 5.614 6.173 1.00 0.00 H new ATOM 1225 N GLU A 79 7.992 5.362 5.563 1.00 0.00 N ATOM 1226 CA GLU A 79 7.642 4.651 4.344 1.00 0.00 C ATOM 1227 C GLU A 79 7.373 5.642 3.211 1.00 0.00 C ATOM 1228 O GLU A 79 6.839 5.268 2.168 1.00 0.00 O ATOM 1229 CB GLU A 79 6.439 3.734 4.570 1.00 0.00 C ATOM 1230 CG GLU A 79 5.166 4.549 4.804 1.00 0.00 C ATOM 1231 CD GLU A 79 3.954 3.633 4.982 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.127 2.585 5.641 1.00 0.00 O ATOM 1233 OE2 GLU A 79 2.881 4.001 4.456 1.00 0.00 O ATOM 0 H GLU A 79 7.219 5.864 6.000 1.00 0.00 H new ATOM 0 HA GLU A 79 8.485 4.023 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.305 3.084 3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.625 3.089 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.287 5.174 5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.999 5.219 3.961 1.00 0.00 H new ATOM 1241 N CYS A 80 7.754 6.888 3.453 1.00 0.00 N ATOM 1242 CA CYS A 80 7.559 7.935 2.465 1.00 0.00 C ATOM 1243 C CYS A 80 8.159 9.232 3.014 1.00 0.00 C ATOM 1244 O CYS A 80 7.509 9.947 3.775 1.00 0.00 O ATOM 1245 CB CYS A 80 6.083 8.101 2.099 1.00 0.00 C ATOM 1246 SG CYS A 80 5.764 9.202 0.673 1.00 0.00 S ATOM 0 H CYS A 80 8.197 7.196 4.319 1.00 0.00 H new ATOM 0 HA CYS A 80 8.067 7.663 1.540 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.665 7.118 1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.550 8.490 2.966 1.00 0.00 H new ATOM 1251 N PRO A 81 9.426 9.500 2.598 1.00 0.00 N ATOM 1252 CA PRO A 81 10.120 10.697 3.040 1.00 0.00 C ATOM 1253 C PRO A 81 9.584 11.939 2.324 1.00 0.00 C ATOM 1254 O PRO A 81 8.715 12.635 2.848 1.00 0.00 O ATOM 1255 CB PRO A 81 11.587 10.432 2.747 1.00 0.00 C ATOM 1256 CG PRO A 81 11.612 9.299 1.734 1.00 0.00 C ATOM 1257 CD PRO A 81 10.226 8.676 1.697 1.00 0.00 C ATOM 0 HA PRO A 81 9.969 10.902 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.073 11.323 2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.123 10.156 3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.888 9.674 0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.358 8.554 2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.816 8.681 0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 81 10.250 7.637 2.026 1.00 0.00 H new TER 1265 PRO A 81