USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 20 TYR OH : rot 150:sc= 0.666 USER MOD Set 1.2: A 25 GLN : amide:sc= 0.681 K(o=1.3,f=0.21!) USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.00797) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.882 (180deg=0.54) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 162:sc= 0.874 (180deg=0.284) USER MOD Single : A 11 CYS SG : rot -174:sc= -2.3! USER MOD Single : A 14 THR OG1 : rot -42:sc= 0.856 USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.0691 (180deg=-0.359) USER MOD Single : A 21 HIS : no HD1:sc= -1.83! K(o=-1.8!,f=-0.49) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 1.16 (180deg=0.89) USER MOD Single : A 29 SER OG : rot -7:sc= -0.967! USER MOD Single : A 31 GLN : amide:sc= -0.654 K(o=-0.65,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -123:sc= 0 (180deg=-0.206) USER MOD Single : A 48 ASN : amide:sc=-0.00531 K(o=-0.0053,f=-0.66) USER MOD Single : A 54 SER OG : rot -73:sc= 1.17 USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= 1.23 (180deg=0.609) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 64 HIS : no HD1:sc= 1.16 K(o=1.2,f=-4.8!) USER MOD Single : A 65 HIS : no HD1:sc= -1.49! K(o=-1.5!,f=-0.7) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.2!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.202 9.139 -12.359 1.00 0.00 N ATOM 2 CA MET A 1 10.907 9.609 -12.900 1.00 0.00 C ATOM 3 C MET A 1 10.155 10.332 -11.796 1.00 0.00 C ATOM 4 O MET A 1 9.657 9.712 -10.857 1.00 0.00 O ATOM 5 CB MET A 1 10.087 8.425 -13.434 1.00 0.00 C ATOM 6 CG MET A 1 9.006 8.812 -14.437 1.00 0.00 C ATOM 7 SD MET A 1 7.663 9.774 -13.718 1.00 0.00 S ATOM 8 CE MET A 1 6.667 10.085 -15.171 1.00 0.00 C ATOM 0 H1 MET A 1 12.870 8.986 -13.141 1.00 0.00 H new ATOM 0 H2 MET A 1 12.587 9.854 -11.710 1.00 0.00 H new ATOM 0 H3 MET A 1 12.060 8.246 -11.845 1.00 0.00 H new ATOM 0 HA MET A 1 11.079 10.293 -13.731 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.764 7.712 -13.904 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.619 7.913 -12.593 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.461 9.386 -15.245 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.595 7.906 -14.882 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.894 10.815 -14.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.299 10.474 -15.969 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.200 9.156 -15.498 1.00 0.00 H new ATOM 20 N GLU A 2 10.094 11.649 -11.902 1.00 0.00 N ATOM 21 CA GLU A 2 9.609 12.469 -10.809 1.00 0.00 C ATOM 22 C GLU A 2 8.142 12.819 -10.999 1.00 0.00 C ATOM 23 O GLU A 2 7.804 13.910 -11.463 1.00 0.00 O ATOM 24 CB GLU A 2 10.449 13.745 -10.683 1.00 0.00 C ATOM 25 CG GLU A 2 11.949 13.513 -10.825 1.00 0.00 C ATOM 26 CD GLU A 2 12.456 12.344 -10.000 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.420 12.425 -8.754 1.00 0.00 O ATOM 28 OE2 GLU A 2 12.902 11.340 -10.601 1.00 0.00 O ATOM 0 H GLU A 2 10.374 12.171 -12.733 1.00 0.00 H new ATOM 0 HA GLU A 2 9.704 11.894 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.128 14.457 -11.444 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.252 14.204 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.185 13.337 -11.875 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.479 14.417 -10.526 1.00 0.00 H new ATOM 35 N LYS A 3 7.274 11.872 -10.678 1.00 0.00 N ATOM 36 CA LYS A 3 5.840 12.095 -10.744 1.00 0.00 C ATOM 37 C LYS A 3 5.102 11.030 -9.949 1.00 0.00 C ATOM 38 O LYS A 3 5.182 9.841 -10.250 1.00 0.00 O ATOM 39 CB LYS A 3 5.354 12.103 -12.191 1.00 0.00 C ATOM 40 CG LYS A 3 3.873 12.413 -12.331 1.00 0.00 C ATOM 41 CD LYS A 3 3.434 12.428 -13.787 1.00 0.00 C ATOM 42 CE LYS A 3 4.133 13.525 -14.579 1.00 0.00 C ATOM 43 NZ LYS A 3 3.591 13.647 -15.958 1.00 0.00 N ATOM 0 H LYS A 3 7.541 10.938 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 3 5.629 13.071 -10.307 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.926 12.840 -12.754 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.558 11.131 -12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.293 11.670 -11.784 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.660 13.381 -11.877 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.648 11.460 -14.241 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.355 12.573 -13.840 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.019 14.476 -14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.201 13.313 -14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.094 14.405 -16.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.722 12.748 -16.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.577 13.874 -15.914 1.00 0.00 H new ATOM 57 N LYS A 4 4.381 11.465 -8.933 1.00 0.00 N ATOM 58 CA LYS A 4 3.637 10.547 -8.080 1.00 0.00 C ATOM 59 C LYS A 4 2.175 10.482 -8.519 1.00 0.00 C ATOM 60 O LYS A 4 1.332 9.932 -7.817 1.00 0.00 O ATOM 61 CB LYS A 4 3.730 10.993 -6.617 1.00 0.00 C ATOM 62 CG LYS A 4 3.906 9.844 -5.628 1.00 0.00 C ATOM 63 CD LYS A 4 5.256 9.160 -5.806 1.00 0.00 C ATOM 64 CE LYS A 4 5.563 8.185 -4.673 1.00 0.00 C ATOM 65 NZ LYS A 4 4.688 6.979 -4.700 1.00 0.00 N ATOM 0 H LYS A 4 4.292 12.448 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 4 4.074 9.553 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.568 11.682 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.827 11.546 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.819 10.222 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.106 9.116 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.268 8.626 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.040 9.915 -5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.606 7.874 -4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.442 8.695 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.117 6.226 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.753 7.220 -4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.582 6.649 -5.680 1.00 0.00 H new ATOM 79 N PHE A 5 1.892 11.025 -9.702 1.00 0.00 N ATOM 80 CA PHE A 5 0.527 11.080 -10.229 1.00 0.00 C ATOM 81 C PHE A 5 0.028 9.684 -10.597 1.00 0.00 C ATOM 82 O PHE A 5 -1.167 9.457 -10.762 1.00 0.00 O ATOM 83 CB PHE A 5 0.474 12.011 -11.447 1.00 0.00 C ATOM 84 CG PHE A 5 -0.913 12.262 -11.973 1.00 0.00 C ATOM 85 CD1 PHE A 5 -1.773 13.125 -11.310 1.00 0.00 C ATOM 86 CD2 PHE A 5 -1.357 11.637 -13.128 1.00 0.00 C ATOM 87 CE1 PHE A 5 -3.049 13.358 -11.790 1.00 0.00 C ATOM 88 CE2 PHE A 5 -2.631 11.868 -13.612 1.00 0.00 C ATOM 89 CZ PHE A 5 -3.478 12.729 -12.943 1.00 0.00 C ATOM 0 H PHE A 5 2.594 11.436 -10.318 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.129 11.476 -9.454 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.927 12.966 -11.180 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.081 11.582 -12.245 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.443 13.620 -10.409 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.700 10.962 -13.656 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.710 14.031 -11.264 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.964 11.375 -14.513 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.474 12.910 -13.320 1.00 0.00 H new ATOM 99 N LEU A 6 0.954 8.752 -10.727 1.00 0.00 N ATOM 100 CA LEU A 6 0.610 7.359 -10.970 1.00 0.00 C ATOM 101 C LEU A 6 0.074 6.756 -9.686 1.00 0.00 C ATOM 102 O LEU A 6 -0.975 6.114 -9.644 1.00 0.00 O ATOM 103 CB LEU A 6 1.846 6.557 -11.395 1.00 0.00 C ATOM 104 CG LEU A 6 2.557 6.990 -12.679 1.00 0.00 C ATOM 105 CD1 LEU A 6 1.581 7.078 -13.837 1.00 0.00 C ATOM 106 CD2 LEU A 6 3.305 8.305 -12.501 1.00 0.00 C ATOM 0 H LEU A 6 1.956 8.934 -10.668 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.134 7.320 -11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.569 6.595 -10.580 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.549 5.515 -11.509 1.00 0.00 H new ATOM 0 HG LEU A 6 3.297 6.224 -12.910 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.112 7.388 -14.737 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.124 6.102 -14.003 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.805 7.807 -13.604 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.795 8.575 -13.437 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.601 9.089 -12.221 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.055 8.194 -11.718 1.00 0.00 H new ATOM 118 N ASP A 7 0.832 7.014 -8.646 1.00 0.00 N ATOM 119 CA ASP A 7 0.585 6.500 -7.304 1.00 0.00 C ATOM 120 C ASP A 7 -0.492 7.322 -6.582 1.00 0.00 C ATOM 121 O ASP A 7 -0.347 7.686 -5.420 1.00 0.00 O ATOM 122 CB ASP A 7 1.915 6.534 -6.539 1.00 0.00 C ATOM 123 CG ASP A 7 1.857 5.884 -5.171 1.00 0.00 C ATOM 124 OD1 ASP A 7 1.608 4.673 -5.100 1.00 0.00 O ATOM 125 OD2 ASP A 7 2.112 6.593 -4.167 1.00 0.00 O ATOM 0 H ASP A 7 1.663 7.603 -8.704 1.00 0.00 H new ATOM 0 HA ASP A 7 0.209 5.478 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.678 6.034 -7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.230 7.571 -6.424 1.00 0.00 H new ATOM 130 N ILE A 8 -1.578 7.618 -7.280 1.00 0.00 N ATOM 131 CA ILE A 8 -2.700 8.338 -6.674 1.00 0.00 C ATOM 132 C ILE A 8 -3.891 7.410 -6.456 1.00 0.00 C ATOM 133 O ILE A 8 -5.004 7.864 -6.189 1.00 0.00 O ATOM 134 CB ILE A 8 -3.166 9.535 -7.531 1.00 0.00 C ATOM 135 CG1 ILE A 8 -3.605 9.064 -8.920 1.00 0.00 C ATOM 136 CG2 ILE A 8 -2.063 10.576 -7.636 1.00 0.00 C ATOM 137 CD1 ILE A 8 -4.202 10.161 -9.778 1.00 0.00 C ATOM 0 H ILE A 8 -1.711 7.375 -8.262 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.334 8.714 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.024 9.996 -7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.745 8.638 -9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.337 8.265 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.409 11.412 -8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.804 10.934 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.184 10.129 -8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.489 9.750 -10.746 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.082 10.572 -9.283 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.465 10.951 -9.923 1.00 0.00 H new ATOM 149 N LEU A 9 -3.656 6.112 -6.572 1.00 0.00 N ATOM 150 CA LEU A 9 -4.724 5.132 -6.426 1.00 0.00 C ATOM 151 C LEU A 9 -5.168 5.011 -4.971 1.00 0.00 C ATOM 152 O LEU A 9 -4.343 4.904 -4.066 1.00 0.00 O ATOM 153 CB LEU A 9 -4.275 3.768 -6.951 1.00 0.00 C ATOM 154 CG LEU A 9 -3.932 3.724 -8.444 1.00 0.00 C ATOM 155 CD1 LEU A 9 -3.453 2.339 -8.842 1.00 0.00 C ATOM 156 CD2 LEU A 9 -5.139 4.128 -9.279 1.00 0.00 C ATOM 0 H LEU A 9 -2.738 5.712 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.574 5.477 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.401 3.448 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.065 3.043 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.126 4.434 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.214 2.328 -9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.563 2.083 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.238 1.610 -8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.878 4.091 -10.337 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.963 3.441 -9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.442 5.141 -9.015 1.00 0.00 H new ATOM 168 N VAL A 10 -6.478 5.041 -4.758 1.00 0.00 N ATOM 169 CA VAL A 10 -7.044 4.918 -3.422 1.00 0.00 C ATOM 170 C VAL A 10 -7.980 3.711 -3.342 1.00 0.00 C ATOM 171 O VAL A 10 -8.509 3.253 -4.359 1.00 0.00 O ATOM 172 CB VAL A 10 -7.819 6.191 -3.004 1.00 0.00 C ATOM 173 CG1 VAL A 10 -6.887 7.389 -2.911 1.00 0.00 C ATOM 174 CG2 VAL A 10 -8.959 6.473 -3.973 1.00 0.00 C ATOM 0 H VAL A 10 -7.171 5.150 -5.499 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.209 4.782 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.245 6.015 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.456 8.271 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.113 7.191 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.423 7.565 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.489 7.372 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.557 6.620 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.648 5.629 -3.979 1.00 0.00 H new ATOM 184 N CYS A 11 -8.173 3.196 -2.138 1.00 0.00 N ATOM 185 CA CYS A 11 -9.062 2.059 -1.932 1.00 0.00 C ATOM 186 C CYS A 11 -10.426 2.525 -1.430 1.00 0.00 C ATOM 187 O CYS A 11 -10.512 3.473 -0.648 1.00 0.00 O ATOM 188 CB CYS A 11 -8.438 1.079 -0.941 1.00 0.00 C ATOM 189 SG CYS A 11 -6.937 0.286 -1.556 1.00 0.00 S ATOM 0 H CYS A 11 -7.728 3.545 -1.289 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.204 1.553 -2.887 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.207 1.608 -0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.170 0.310 -0.694 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.542 -0.614 -0.705 1.00 0.00 H new ATOM 195 N PRO A 12 -11.507 1.844 -1.855 1.00 0.00 N ATOM 196 CA PRO A 12 -12.888 2.218 -1.506 1.00 0.00 C ATOM 197 C PRO A 12 -13.168 2.166 -0.003 1.00 0.00 C ATOM 198 O PRO A 12 -14.150 2.741 0.467 1.00 0.00 O ATOM 199 CB PRO A 12 -13.746 1.178 -2.238 1.00 0.00 C ATOM 200 CG PRO A 12 -12.860 0.620 -3.297 1.00 0.00 C ATOM 201 CD PRO A 12 -11.472 0.660 -2.729 1.00 0.00 C ATOM 0 HA PRO A 12 -13.097 3.249 -1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.086 0.398 -1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.637 1.635 -2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.149 -0.399 -3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.925 1.208 -4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.238 -0.247 -2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.719 0.757 -3.511 1.00 0.00 H new ATOM 209 N VAL A 13 -12.293 1.490 0.738 1.00 0.00 N ATOM 210 CA VAL A 13 -12.443 1.329 2.182 1.00 0.00 C ATOM 211 C VAL A 13 -12.706 2.672 2.863 1.00 0.00 C ATOM 212 O VAL A 13 -13.622 2.800 3.676 1.00 0.00 O ATOM 213 CB VAL A 13 -11.185 0.679 2.799 1.00 0.00 C ATOM 214 CG1 VAL A 13 -11.356 0.469 4.296 1.00 0.00 C ATOM 215 CG2 VAL A 13 -10.867 -0.637 2.107 1.00 0.00 C ATOM 0 H VAL A 13 -11.462 1.039 0.355 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.300 0.676 2.347 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.347 1.359 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.456 0.010 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.525 1.430 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.210 -0.184 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.978 -1.079 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.709 -1.320 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.687 -0.457 1.047 1.00 0.00 H new ATOM 225 N THR A 14 -11.908 3.670 2.517 1.00 0.00 N ATOM 226 CA THR A 14 -12.092 5.010 3.053 1.00 0.00 C ATOM 227 C THR A 14 -11.461 6.045 2.122 1.00 0.00 C ATOM 228 O THR A 14 -11.231 7.191 2.511 1.00 0.00 O ATOM 229 CB THR A 14 -11.494 5.130 4.479 1.00 0.00 C ATOM 230 OG1 THR A 14 -11.771 6.424 5.036 1.00 0.00 O ATOM 231 CG2 THR A 14 -9.991 4.888 4.465 1.00 0.00 C ATOM 0 H THR A 14 -11.127 3.578 1.868 1.00 0.00 H new ATOM 0 HA THR A 14 -13.163 5.203 3.120 1.00 0.00 H new ATOM 0 HB THR A 14 -11.963 4.367 5.100 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.641 7.111 4.349 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.598 4.978 5.478 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.787 3.887 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.510 5.625 3.822 1.00 0.00 H new ATOM 239 N LYS A 15 -11.213 5.630 0.877 1.00 0.00 N ATOM 240 CA LYS A 15 -10.574 6.489 -0.117 1.00 0.00 C ATOM 241 C LYS A 15 -9.225 6.969 0.407 1.00 0.00 C ATOM 242 O LYS A 15 -8.878 8.144 0.289 1.00 0.00 O ATOM 243 CB LYS A 15 -11.474 7.687 -0.474 1.00 0.00 C ATOM 244 CG LYS A 15 -12.721 7.329 -1.283 1.00 0.00 C ATOM 245 CD LYS A 15 -13.720 6.512 -0.477 1.00 0.00 C ATOM 246 CE LYS A 15 -15.013 6.295 -1.243 1.00 0.00 C ATOM 247 NZ LYS A 15 -15.719 7.575 -1.502 1.00 0.00 N ATOM 0 H LYS A 15 -11.448 4.698 0.534 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.417 5.910 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.784 8.179 0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.886 8.410 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.200 8.244 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.427 6.767 -2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.281 5.547 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.934 7.022 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.796 5.801 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.664 5.628 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.712 7.381 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.679 8.172 -0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.261 8.070 -2.294 1.00 0.00 H new ATOM 261 N GLY A 16 -8.460 6.041 0.972 1.00 0.00 N ATOM 262 CA GLY A 16 -7.223 6.401 1.629 1.00 0.00 C ATOM 263 C GLY A 16 -6.001 6.115 0.786 1.00 0.00 C ATOM 264 O GLY A 16 -6.084 5.419 -0.228 1.00 0.00 O ATOM 0 H GLY A 16 -8.678 5.045 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.246 7.462 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.145 5.855 2.569 1.00 0.00 H new ATOM 268 N ARG A 17 -4.872 6.656 1.223 1.00 0.00 N ATOM 269 CA ARG A 17 -3.604 6.508 0.539 1.00 0.00 C ATOM 270 C ARG A 17 -3.090 5.072 0.562 1.00 0.00 C ATOM 271 O ARG A 17 -3.458 4.268 1.425 1.00 0.00 O ATOM 272 CB ARG A 17 -2.585 7.423 1.204 1.00 0.00 C ATOM 273 CG ARG A 17 -2.429 8.779 0.538 1.00 0.00 C ATOM 274 CD ARG A 17 -1.630 8.670 -0.748 1.00 0.00 C ATOM 275 NE ARG A 17 -0.324 8.048 -0.518 1.00 0.00 N ATOM 276 CZ ARG A 17 0.432 7.517 -1.476 1.00 0.00 C ATOM 277 NH1 ARG A 17 0.051 7.591 -2.742 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.576 6.914 -1.167 1.00 0.00 N ATOM 0 H ARG A 17 -4.815 7.216 2.074 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.752 6.778 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.875 7.574 2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.617 6.923 1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.413 9.197 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.932 9.468 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.190 8.084 -1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.491 9.663 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 17 0.029 8.020 0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.824 8.056 -2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.632 7.183 -3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.876 6.858 -0.194 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.153 6.508 -1.903 1.00 0.00 H new ATOM 292 N LEU A 18 -2.216 4.780 -0.386 1.00 0.00 N ATOM 293 CA LEU A 18 -1.585 3.474 -0.501 1.00 0.00 C ATOM 294 C LEU A 18 -0.083 3.644 -0.626 1.00 0.00 C ATOM 295 O LEU A 18 0.389 4.332 -1.526 1.00 0.00 O ATOM 296 CB LEU A 18 -2.108 2.729 -1.731 1.00 0.00 C ATOM 297 CG LEU A 18 -3.566 2.278 -1.662 1.00 0.00 C ATOM 298 CD1 LEU A 18 -4.004 1.696 -2.998 1.00 0.00 C ATOM 299 CD2 LEU A 18 -3.750 1.256 -0.551 1.00 0.00 C ATOM 0 H LEU A 18 -1.922 5.445 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.823 2.896 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.987 3.373 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.483 1.851 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.189 3.145 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.045 1.379 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.903 2.453 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.378 0.838 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.794 0.943 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.118 0.389 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.470 1.702 0.403 1.00 0.00 H new ATOM 311 N GLU A 19 0.666 3.024 0.267 1.00 0.00 N ATOM 312 CA GLU A 19 2.113 3.110 0.209 1.00 0.00 C ATOM 313 C GLU A 19 2.649 2.042 -0.730 1.00 0.00 C ATOM 314 O GLU A 19 2.441 0.843 -0.517 1.00 0.00 O ATOM 315 CB GLU A 19 2.722 2.965 1.604 1.00 0.00 C ATOM 316 CG GLU A 19 2.369 4.111 2.544 1.00 0.00 C ATOM 317 CD GLU A 19 2.925 5.450 2.087 1.00 0.00 C ATOM 318 OE1 GLU A 19 2.245 6.151 1.306 1.00 0.00 O ATOM 319 OE2 GLU A 19 4.036 5.818 2.523 1.00 0.00 O ATOM 0 H GLU A 19 0.301 2.460 1.035 1.00 0.00 H new ATOM 0 HA GLU A 19 2.395 4.091 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.383 2.027 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.806 2.901 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.285 4.184 2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.751 3.887 3.540 1.00 0.00 H new ATOM 326 N TYR A 20 3.324 2.490 -1.776 1.00 0.00 N ATOM 327 CA TYR A 20 3.816 1.604 -2.817 1.00 0.00 C ATOM 328 C TYR A 20 5.078 0.885 -2.352 1.00 0.00 C ATOM 329 O TYR A 20 6.188 1.405 -2.470 1.00 0.00 O ATOM 330 CB TYR A 20 4.092 2.419 -4.086 1.00 0.00 C ATOM 331 CG TYR A 20 4.311 1.598 -5.339 1.00 0.00 C ATOM 332 CD1 TYR A 20 3.233 1.071 -6.038 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.588 1.373 -5.835 1.00 0.00 C ATOM 334 CE1 TYR A 20 3.421 0.338 -7.195 1.00 0.00 C ATOM 335 CE2 TYR A 20 5.786 0.646 -6.994 1.00 0.00 C ATOM 336 CZ TYR A 20 4.700 0.129 -7.671 1.00 0.00 C ATOM 337 OH TYR A 20 4.897 -0.595 -8.828 1.00 0.00 O ATOM 0 H TYR A 20 3.545 3.474 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 20 3.062 0.848 -3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.254 3.095 -4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.973 3.039 -3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.231 1.237 -5.672 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.441 1.773 -5.307 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.572 -0.069 -7.724 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.786 0.483 -7.368 1.00 0.00 H new ATOM 0 HH TYR A 20 5.705 -0.274 -9.281 1.00 0.00 H new ATOM 347 N HIS A 21 4.892 -0.301 -1.796 1.00 0.00 N ATOM 348 CA HIS A 21 6.001 -1.106 -1.310 1.00 0.00 C ATOM 349 C HIS A 21 6.522 -2.008 -2.422 1.00 0.00 C ATOM 350 O HIS A 21 5.852 -2.953 -2.842 1.00 0.00 O ATOM 351 CB HIS A 21 5.550 -1.921 -0.087 1.00 0.00 C ATOM 352 CG HIS A 21 6.492 -3.010 0.343 1.00 0.00 C ATOM 353 ND1 HIS A 21 7.584 -2.802 1.159 1.00 0.00 N ATOM 354 CD2 HIS A 21 6.468 -4.338 0.088 1.00 0.00 C ATOM 355 CE1 HIS A 21 8.186 -3.958 1.383 1.00 0.00 C ATOM 356 NE2 HIS A 21 7.528 -4.907 0.745 1.00 0.00 N ATOM 0 H HIS A 21 3.976 -0.730 -1.669 1.00 0.00 H new ATOM 0 HA HIS A 21 6.819 -0.455 -1.002 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.404 -1.238 0.750 1.00 0.00 H new ATOM 0 HB3 HIS A 21 4.580 -2.368 -0.307 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.744 -4.857 -0.523 1.00 0.00 H new ATOM 0 HE1 HIS A 21 9.069 -4.101 1.988 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.768 -5.898 0.741 1.00 0.00 H new ATOM 365 N GLN A 22 7.717 -1.698 -2.900 1.00 0.00 N ATOM 366 CA GLN A 22 8.354 -2.467 -3.959 1.00 0.00 C ATOM 367 C GLN A 22 8.886 -3.794 -3.418 1.00 0.00 C ATOM 368 O GLN A 22 8.455 -4.253 -2.358 1.00 0.00 O ATOM 369 CB GLN A 22 9.485 -1.647 -4.589 1.00 0.00 C ATOM 370 CG GLN A 22 9.001 -0.399 -5.312 1.00 0.00 C ATOM 371 CD GLN A 22 10.144 0.439 -5.858 1.00 0.00 C ATOM 372 OE1 GLN A 22 10.600 0.232 -6.982 1.00 0.00 O ATOM 373 NE2 GLN A 22 10.598 1.409 -5.077 1.00 0.00 N ATOM 0 H GLN A 22 8.271 -0.909 -2.567 1.00 0.00 H new ATOM 0 HA GLN A 22 7.612 -2.690 -4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.189 -1.355 -3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.031 -2.276 -5.292 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.345 -0.690 -6.132 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.407 0.206 -4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.194 1.549 -4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.351 2.015 -5.402 1.00 0.00 H new ATOM 382 N ASP A 23 9.784 -4.422 -4.180 1.00 0.00 N ATOM 383 CA ASP A 23 10.419 -5.696 -3.802 1.00 0.00 C ATOM 384 C ASP A 23 9.458 -6.868 -4.003 1.00 0.00 C ATOM 385 O ASP A 23 9.778 -7.833 -4.701 1.00 0.00 O ATOM 386 CB ASP A 23 10.926 -5.655 -2.350 1.00 0.00 C ATOM 387 CG ASP A 23 11.732 -6.881 -1.957 1.00 0.00 C ATOM 388 OD1 ASP A 23 12.963 -6.883 -2.187 1.00 0.00 O ATOM 389 OD2 ASP A 23 11.147 -7.833 -1.398 1.00 0.00 O ATOM 0 H ASP A 23 10.096 -4.063 -5.082 1.00 0.00 H new ATOM 0 HA ASP A 23 11.278 -5.843 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.541 -4.766 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.073 -5.559 -1.678 1.00 0.00 H new ATOM 394 N LYS A 24 8.274 -6.780 -3.410 1.00 0.00 N ATOM 395 CA LYS A 24 7.285 -7.834 -3.536 1.00 0.00 C ATOM 396 C LYS A 24 5.985 -7.298 -4.118 1.00 0.00 C ATOM 397 O LYS A 24 4.989 -8.019 -4.189 1.00 0.00 O ATOM 398 CB LYS A 24 7.039 -8.477 -2.176 1.00 0.00 C ATOM 399 CG LYS A 24 8.291 -9.095 -1.588 1.00 0.00 C ATOM 400 CD LYS A 24 8.020 -9.787 -0.265 1.00 0.00 C ATOM 401 CE LYS A 24 9.273 -10.470 0.265 1.00 0.00 C ATOM 402 NZ LYS A 24 10.385 -9.508 0.509 1.00 0.00 N ATOM 0 H LYS A 24 7.979 -5.989 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 24 7.669 -8.589 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.652 -7.726 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.271 -9.245 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.706 -9.814 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.044 -8.320 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.664 -9.058 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.227 -10.524 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.035 -10.989 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.601 -11.226 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.166 -9.995 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.723 -9.131 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.043 -8.726 1.103 1.00 0.00 H new ATOM 416 N GLN A 25 6.018 -6.041 -4.561 1.00 0.00 N ATOM 417 CA GLN A 25 4.843 -5.374 -5.122 1.00 0.00 C ATOM 418 C GLN A 25 3.640 -5.482 -4.193 1.00 0.00 C ATOM 419 O GLN A 25 2.664 -6.173 -4.484 1.00 0.00 O ATOM 420 CB GLN A 25 4.523 -5.942 -6.503 1.00 0.00 C ATOM 421 CG GLN A 25 5.454 -5.421 -7.580 1.00 0.00 C ATOM 422 CD GLN A 25 5.064 -4.030 -8.046 1.00 0.00 C ATOM 423 OE1 GLN A 25 3.883 -3.682 -8.073 1.00 0.00 O ATOM 424 NE2 GLN A 25 6.050 -3.217 -8.394 1.00 0.00 N ATOM 0 H GLN A 25 6.855 -5.459 -4.541 1.00 0.00 H new ATOM 0 HA GLN A 25 5.074 -4.314 -5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.587 -7.030 -6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.495 -5.692 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.475 -5.402 -7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.444 -6.104 -8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.016 -3.542 -8.358 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.843 -2.265 -8.698 1.00 0.00 H new ATOM 433 N GLU A 26 3.733 -4.810 -3.062 1.00 0.00 N ATOM 434 CA GLU A 26 2.670 -4.822 -2.077 1.00 0.00 C ATOM 435 C GLU A 26 2.134 -3.416 -1.844 1.00 0.00 C ATOM 436 O GLU A 26 2.905 -2.471 -1.683 1.00 0.00 O ATOM 437 CB GLU A 26 3.195 -5.393 -0.765 1.00 0.00 C ATOM 438 CG GLU A 26 3.700 -6.821 -0.877 1.00 0.00 C ATOM 439 CD GLU A 26 4.366 -7.298 0.393 1.00 0.00 C ATOM 440 OE1 GLU A 26 3.660 -7.820 1.277 1.00 0.00 O ATOM 441 OE2 GLU A 26 5.598 -7.144 0.514 1.00 0.00 O ATOM 0 H GLU A 26 4.541 -4.245 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 26 1.858 -5.445 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.004 -4.759 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.401 -5.356 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.866 -7.481 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.408 -6.889 -1.703 1.00 0.00 H new ATOM 448 N LEU A 27 0.819 -3.278 -1.832 1.00 0.00 N ATOM 449 CA LEU A 27 0.202 -2.003 -1.504 1.00 0.00 C ATOM 450 C LEU A 27 -0.142 -1.964 -0.024 1.00 0.00 C ATOM 451 O LEU A 27 -1.049 -2.661 0.433 1.00 0.00 O ATOM 452 CB LEU A 27 -1.055 -1.758 -2.343 1.00 0.00 C ATOM 453 CG LEU A 27 -0.804 -1.480 -3.826 1.00 0.00 C ATOM 454 CD1 LEU A 27 -2.115 -1.202 -4.539 1.00 0.00 C ATOM 455 CD2 LEU A 27 0.151 -0.309 -3.997 1.00 0.00 C ATOM 0 H LEU A 27 0.161 -4.028 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 27 0.915 -1.211 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.705 -2.629 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.597 -0.913 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.346 -2.364 -4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.921 -1.006 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.771 -2.068 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.596 -0.333 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.317 -0.127 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.280 0.582 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.101 -0.541 -3.516 1.00 0.00 H new ATOM 467 N TRP A 28 0.591 -1.153 0.718 1.00 0.00 N ATOM 468 CA TRP A 28 0.394 -1.054 2.154 1.00 0.00 C ATOM 469 C TRP A 28 -0.555 0.087 2.472 1.00 0.00 C ATOM 470 O TRP A 28 -0.247 1.255 2.232 1.00 0.00 O ATOM 471 CB TRP A 28 1.733 -0.850 2.873 1.00 0.00 C ATOM 472 CG TRP A 28 2.591 -2.083 2.928 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.420 -3.245 2.229 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.759 -2.274 3.737 1.00 0.00 C ATOM 475 NE1 TRP A 28 3.409 -4.143 2.553 1.00 0.00 N ATOM 476 CE2 TRP A 28 4.242 -3.569 3.477 1.00 0.00 C ATOM 477 CE3 TRP A 28 4.444 -1.471 4.656 1.00 0.00 C ATOM 478 CZ2 TRP A 28 5.377 -4.081 4.101 1.00 0.00 C ATOM 479 CZ3 TRP A 28 5.569 -1.981 5.276 1.00 0.00 C ATOM 480 CH2 TRP A 28 6.026 -3.274 4.995 1.00 0.00 C ATOM 0 H TRP A 28 1.329 -0.553 0.350 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.044 -1.987 2.508 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.286 -0.057 2.370 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.539 -0.509 3.890 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.623 -3.431 1.524 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.507 -5.083 2.169 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.100 -0.471 4.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.732 -5.078 3.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.104 -1.372 5.989 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.910 -3.642 5.495 1.00 0.00 H new ATOM 491 N SER A 29 -1.716 -0.255 2.997 1.00 0.00 N ATOM 492 CA SER A 29 -2.742 0.732 3.264 1.00 0.00 C ATOM 493 C SER A 29 -2.807 1.069 4.747 1.00 0.00 C ATOM 494 O SER A 29 -3.327 0.297 5.552 1.00 0.00 O ATOM 495 CB SER A 29 -4.104 0.239 2.767 1.00 0.00 C ATOM 496 OG SER A 29 -4.432 -1.027 3.316 1.00 0.00 O ATOM 0 H SER A 29 -1.971 -1.210 3.247 1.00 0.00 H new ATOM 0 HA SER A 29 -2.482 1.642 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.874 0.963 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.093 0.173 1.679 1.00 0.00 H new ATOM 0 HG SER A 29 -3.663 -1.378 3.811 1.00 0.00 H new ATOM 502 N ARG A 30 -2.257 2.220 5.104 1.00 0.00 N ATOM 503 CA ARG A 30 -2.356 2.728 6.467 1.00 0.00 C ATOM 504 C ARG A 30 -3.828 2.943 6.805 1.00 0.00 C ATOM 505 O ARG A 30 -4.288 2.619 7.897 1.00 0.00 O ATOM 506 CB ARG A 30 -1.571 4.050 6.584 1.00 0.00 C ATOM 507 CG ARG A 30 -1.267 4.521 8.010 1.00 0.00 C ATOM 508 CD ARG A 30 -2.516 4.935 8.773 1.00 0.00 C ATOM 509 NE ARG A 30 -2.213 5.775 9.933 1.00 0.00 N ATOM 510 CZ ARG A 30 -1.738 5.323 11.095 1.00 0.00 C ATOM 511 NH1 ARG A 30 -1.427 4.044 11.250 1.00 0.00 N ATOM 512 NH2 ARG A 30 -1.566 6.165 12.104 1.00 0.00 N ATOM 0 H ARG A 30 -1.736 2.823 4.467 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.929 2.012 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.628 3.939 6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.135 4.832 6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.764 3.721 8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.576 5.363 7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.185 5.475 8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.048 4.043 9.104 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.377 6.778 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.550 3.392 10.475 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.065 3.712 12.144 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.796 7.152 11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.203 5.826 12.995 1.00 0.00 H new ATOM 526 N GLN A 31 -4.567 3.449 5.823 1.00 0.00 N ATOM 527 CA GLN A 31 -5.952 3.830 6.004 1.00 0.00 C ATOM 528 C GLN A 31 -6.891 2.623 6.059 1.00 0.00 C ATOM 529 O GLN A 31 -8.061 2.763 6.411 1.00 0.00 O ATOM 530 CB GLN A 31 -6.357 4.746 4.861 1.00 0.00 C ATOM 531 CG GLN A 31 -5.464 5.969 4.715 1.00 0.00 C ATOM 532 CD GLN A 31 -5.491 6.865 5.938 1.00 0.00 C ATOM 533 OE1 GLN A 31 -4.701 6.694 6.868 1.00 0.00 O ATOM 534 NE2 GLN A 31 -6.392 7.834 5.938 1.00 0.00 N ATOM 0 H GLN A 31 -4.215 3.605 4.878 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.039 4.342 6.962 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.339 4.180 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.385 5.073 5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.440 5.645 4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.780 6.542 3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.027 7.940 5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.451 8.475 6.729 1.00 0.00 H new ATOM 543 N ALA A 32 -6.391 1.444 5.709 1.00 0.00 N ATOM 544 CA ALA A 32 -7.224 0.246 5.710 1.00 0.00 C ATOM 545 C ALA A 32 -6.657 -0.815 6.643 1.00 0.00 C ATOM 546 O ALA A 32 -7.314 -1.821 6.920 1.00 0.00 O ATOM 547 CB ALA A 32 -7.369 -0.307 4.298 1.00 0.00 C ATOM 0 H ALA A 32 -5.424 1.291 5.424 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.212 0.524 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.993 -1.200 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.832 0.445 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.385 -0.562 3.904 1.00 0.00 H new ATOM 553 N LYS A 33 -5.435 -0.572 7.125 1.00 0.00 N ATOM 554 CA LYS A 33 -4.735 -1.497 8.017 1.00 0.00 C ATOM 555 C LYS A 33 -4.476 -2.831 7.329 1.00 0.00 C ATOM 556 O LYS A 33 -4.322 -3.862 7.984 1.00 0.00 O ATOM 557 CB LYS A 33 -5.527 -1.712 9.312 1.00 0.00 C ATOM 558 CG LYS A 33 -5.730 -0.444 10.124 1.00 0.00 C ATOM 559 CD LYS A 33 -6.592 -0.705 11.347 1.00 0.00 C ATOM 560 CE LYS A 33 -6.834 0.565 12.145 1.00 0.00 C ATOM 561 NZ LYS A 33 -7.748 0.328 13.292 1.00 0.00 N ATOM 0 H LYS A 33 -4.904 0.271 6.907 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.774 -1.050 8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.501 -2.134 9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.007 -2.447 9.927 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.763 -0.050 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.199 0.318 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.548 -1.127 11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.108 -1.447 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.883 0.951 12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.258 1.329 11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.889 1.217 13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.664 -0.017 12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.331 -0.383 13.927 1.00 0.00 H new ATOM 575 N LEU A 34 -4.395 -2.800 6.007 1.00 0.00 N ATOM 576 CA LEU A 34 -4.184 -4.011 5.235 1.00 0.00 C ATOM 577 C LEU A 34 -3.055 -3.831 4.230 1.00 0.00 C ATOM 578 O LEU A 34 -2.523 -2.733 4.056 1.00 0.00 O ATOM 579 CB LEU A 34 -5.462 -4.402 4.488 1.00 0.00 C ATOM 580 CG LEU A 34 -6.690 -4.656 5.363 1.00 0.00 C ATOM 581 CD1 LEU A 34 -7.920 -4.879 4.496 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.462 -5.854 6.273 1.00 0.00 C ATOM 0 H LEU A 34 -4.472 -1.950 5.449 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.913 -4.802 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.702 -3.611 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.260 -5.302 3.907 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.855 -3.777 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.786 -5.059 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.098 -3.996 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.759 -5.743 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.347 -6.018 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.271 -6.740 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.604 -5.663 6.917 1.00 0.00 H new ATOM 594 N ALA A 35 -2.717 -4.917 3.565 1.00 0.00 N ATOM 595 CA ALA A 35 -1.700 -4.925 2.531 1.00 0.00 C ATOM 596 C ALA A 35 -2.184 -5.765 1.359 1.00 0.00 C ATOM 597 O ALA A 35 -2.415 -6.968 1.499 1.00 0.00 O ATOM 598 CB ALA A 35 -0.388 -5.466 3.077 1.00 0.00 C ATOM 0 H ALA A 35 -3.145 -5.829 3.728 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.523 -3.905 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.363 -5.464 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.050 -4.837 3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.536 -6.485 3.435 1.00 0.00 H new ATOM 604 N TYR A 36 -2.357 -5.131 0.215 1.00 0.00 N ATOM 605 CA TYR A 36 -2.929 -5.799 -0.939 1.00 0.00 C ATOM 606 C TYR A 36 -1.835 -6.374 -1.825 1.00 0.00 C ATOM 607 O TYR A 36 -0.765 -5.776 -1.966 1.00 0.00 O ATOM 608 CB TYR A 36 -3.796 -4.820 -1.736 1.00 0.00 C ATOM 609 CG TYR A 36 -4.887 -4.173 -0.912 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.061 -4.856 -0.618 1.00 0.00 C ATOM 611 CD2 TYR A 36 -4.743 -2.877 -0.431 1.00 0.00 C ATOM 612 CE1 TYR A 36 -7.059 -4.267 0.133 1.00 0.00 C ATOM 613 CE2 TYR A 36 -5.735 -2.282 0.321 1.00 0.00 C ATOM 614 CZ TYR A 36 -6.892 -2.979 0.600 1.00 0.00 C ATOM 615 OH TYR A 36 -7.884 -2.385 1.346 1.00 0.00 O ATOM 0 H TYR A 36 -2.110 -4.154 0.060 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.553 -6.621 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.159 -4.042 -2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.250 -5.348 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.195 -5.864 -0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.840 -2.327 -0.649 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.965 -4.811 0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.606 -1.275 0.690 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.607 -1.479 1.597 1.00 0.00 H new ATOM 625 N PRO A 37 -2.088 -7.547 -2.432 1.00 0.00 N ATOM 626 CA PRO A 37 -1.135 -8.219 -3.305 1.00 0.00 C ATOM 627 C PRO A 37 -1.201 -7.705 -4.741 1.00 0.00 C ATOM 628 O PRO A 37 -2.268 -7.694 -5.364 1.00 0.00 O ATOM 629 CB PRO A 37 -1.564 -9.695 -3.250 1.00 0.00 C ATOM 630 CG PRO A 37 -2.827 -9.742 -2.439 1.00 0.00 C ATOM 631 CD PRO A 37 -3.321 -8.328 -2.311 1.00 0.00 C ATOM 0 HA PRO A 37 -0.107 -8.049 -2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.732 -10.088 -4.253 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.787 -10.308 -2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.574 -10.369 -2.925 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.638 -10.175 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.038 -8.077 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.817 -8.157 -1.356 1.00 0.00 H new ATOM 639 N ILE A 38 -0.062 -7.270 -5.257 1.00 0.00 N ATOM 640 CA ILE A 38 0.037 -6.822 -6.635 1.00 0.00 C ATOM 641 C ILE A 38 0.973 -7.745 -7.402 1.00 0.00 C ATOM 642 O ILE A 38 2.098 -7.988 -6.975 1.00 0.00 O ATOM 643 CB ILE A 38 0.566 -5.370 -6.727 1.00 0.00 C ATOM 644 CG1 ILE A 38 -0.256 -4.432 -5.834 1.00 0.00 C ATOM 645 CG2 ILE A 38 0.546 -4.886 -8.170 1.00 0.00 C ATOM 646 CD1 ILE A 38 -1.728 -4.406 -6.172 1.00 0.00 C ATOM 0 H ILE A 38 0.813 -7.218 -4.736 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.963 -6.848 -7.069 1.00 0.00 H new ATOM 0 HB ILE A 38 1.597 -5.360 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.136 -4.737 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.145 -3.422 -5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.921 -3.864 -8.216 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.178 -5.532 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.475 -4.915 -8.549 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.244 -3.721 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.859 -4.071 -7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.145 -5.407 -6.060 1.00 0.00 H new ATOM 658 N LYS A 39 0.511 -8.275 -8.524 1.00 0.00 N ATOM 659 CA LYS A 39 1.320 -9.184 -9.307 1.00 0.00 C ATOM 660 C LYS A 39 1.950 -8.450 -10.481 1.00 0.00 C ATOM 661 O LYS A 39 1.555 -8.635 -11.632 1.00 0.00 O ATOM 662 CB LYS A 39 0.486 -10.374 -9.783 1.00 0.00 C ATOM 663 CG LYS A 39 0.034 -11.288 -8.651 1.00 0.00 C ATOM 664 CD LYS A 39 -0.526 -12.604 -9.170 1.00 0.00 C ATOM 665 CE LYS A 39 -0.922 -13.526 -8.024 1.00 0.00 C ATOM 666 NZ LYS A 39 -1.284 -14.887 -8.503 1.00 0.00 N ATOM 0 H LYS A 39 -0.416 -8.090 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 39 2.122 -9.570 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.391 -10.004 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.070 -10.954 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.876 -11.488 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.725 -10.780 -8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.394 -12.409 -9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.218 -13.097 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.097 -13.599 -7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.766 -13.094 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.547 -15.482 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.088 -14.822 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.470 -15.310 -8.993 1.00 0.00 H new ATOM 680 N ASP A 40 2.913 -7.590 -10.155 1.00 0.00 N ATOM 681 CA ASP A 40 3.616 -6.768 -11.142 1.00 0.00 C ATOM 682 C ASP A 40 2.630 -5.973 -11.996 1.00 0.00 C ATOM 683 O ASP A 40 2.591 -6.099 -13.218 1.00 0.00 O ATOM 684 CB ASP A 40 4.528 -7.631 -12.025 1.00 0.00 C ATOM 685 CG ASP A 40 5.441 -6.800 -12.910 1.00 0.00 C ATOM 686 OD1 ASP A 40 6.200 -5.969 -12.376 1.00 0.00 O ATOM 687 OD2 ASP A 40 5.427 -6.998 -14.141 1.00 0.00 O ATOM 0 H ASP A 40 3.230 -7.442 -9.197 1.00 0.00 H new ATOM 0 HA ASP A 40 4.241 -6.058 -10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.134 -8.279 -11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.914 -8.280 -12.650 1.00 0.00 H new ATOM 692 N GLY A 41 1.800 -5.181 -11.331 1.00 0.00 N ATOM 693 CA GLY A 41 0.878 -4.312 -12.040 1.00 0.00 C ATOM 694 C GLY A 41 -0.500 -4.922 -12.156 1.00 0.00 C ATOM 695 O GLY A 41 -1.370 -4.388 -12.839 1.00 0.00 O ATOM 0 H GLY A 41 1.748 -5.124 -10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.809 -3.356 -11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.268 -4.106 -13.037 1.00 0.00 H new ATOM 699 N ILE A 42 -0.684 -6.053 -11.497 1.00 0.00 N ATOM 700 CA ILE A 42 -1.963 -6.746 -11.485 1.00 0.00 C ATOM 701 C ILE A 42 -2.570 -6.702 -10.082 1.00 0.00 C ATOM 702 O ILE A 42 -2.280 -7.560 -9.244 1.00 0.00 O ATOM 703 CB ILE A 42 -1.833 -8.211 -11.965 1.00 0.00 C ATOM 704 CG1 ILE A 42 -1.212 -8.267 -13.371 1.00 0.00 C ATOM 705 CG2 ILE A 42 -3.196 -8.897 -11.959 1.00 0.00 C ATOM 706 CD1 ILE A 42 -2.008 -7.518 -14.422 1.00 0.00 C ATOM 0 H ILE A 42 0.046 -6.517 -10.956 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.623 -6.231 -12.183 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.175 -8.740 -11.276 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.204 -7.854 -13.329 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.117 -9.309 -13.675 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.087 -9.927 -12.299 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.602 -8.890 -10.948 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.874 -8.365 -12.626 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.508 -7.603 -15.387 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.008 -7.945 -14.493 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.081 -6.467 -14.143 1.00 0.00 H new ATOM 718 N PRO A 43 -3.352 -5.653 -9.789 1.00 0.00 N ATOM 719 CA PRO A 43 -3.945 -5.451 -8.468 1.00 0.00 C ATOM 720 C PRO A 43 -5.163 -6.343 -8.216 1.00 0.00 C ATOM 721 O PRO A 43 -6.071 -6.424 -9.045 1.00 0.00 O ATOM 722 CB PRO A 43 -4.355 -3.978 -8.499 1.00 0.00 C ATOM 723 CG PRO A 43 -4.632 -3.687 -9.934 1.00 0.00 C ATOM 724 CD PRO A 43 -3.735 -4.588 -10.737 1.00 0.00 C ATOM 0 HA PRO A 43 -3.251 -5.706 -7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.236 -3.800 -7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.561 -3.339 -8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.680 -3.872 -10.171 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.434 -2.640 -10.162 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.253 -4.995 -11.605 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.862 -4.052 -11.109 1.00 0.00 H new ATOM 732 N TYR A 44 -5.173 -7.010 -7.070 1.00 0.00 N ATOM 733 CA TYR A 44 -6.306 -7.828 -6.667 1.00 0.00 C ATOM 734 C TYR A 44 -6.627 -7.610 -5.197 1.00 0.00 C ATOM 735 O TYR A 44 -6.042 -8.236 -4.311 1.00 0.00 O ATOM 736 CB TYR A 44 -6.058 -9.312 -6.952 1.00 0.00 C ATOM 737 CG TYR A 44 -6.609 -9.764 -8.285 1.00 0.00 C ATOM 738 CD1 TYR A 44 -7.918 -10.218 -8.390 1.00 0.00 C ATOM 739 CD2 TYR A 44 -5.833 -9.730 -9.437 1.00 0.00 C ATOM 740 CE1 TYR A 44 -8.438 -10.626 -9.601 1.00 0.00 C ATOM 741 CE2 TYR A 44 -6.348 -10.134 -10.656 1.00 0.00 C ATOM 742 CZ TYR A 44 -7.652 -10.582 -10.731 1.00 0.00 C ATOM 743 OH TYR A 44 -8.177 -10.984 -11.942 1.00 0.00 O ATOM 0 H TYR A 44 -4.404 -6.999 -6.400 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.166 -7.518 -7.261 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.986 -9.506 -6.925 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.510 -9.908 -6.159 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.540 -10.252 -7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.812 -9.383 -9.380 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.457 -10.978 -9.663 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.734 -10.099 -11.544 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.496 -10.891 -12.641 1.00 0.00 H new ATOM 753 N MET A 45 -7.544 -6.691 -4.949 1.00 0.00 N ATOM 754 CA MET A 45 -7.966 -6.360 -3.597 1.00 0.00 C ATOM 755 C MET A 45 -9.019 -7.346 -3.101 1.00 0.00 C ATOM 756 O MET A 45 -10.203 -7.019 -3.003 1.00 0.00 O ATOM 757 CB MET A 45 -8.515 -4.926 -3.524 1.00 0.00 C ATOM 758 CG MET A 45 -7.475 -3.835 -3.756 1.00 0.00 C ATOM 759 SD MET A 45 -6.862 -3.776 -5.452 1.00 0.00 S ATOM 760 CE MET A 45 -5.710 -2.408 -5.343 1.00 0.00 C ATOM 0 H MET A 45 -8.016 -6.154 -5.676 1.00 0.00 H new ATOM 0 HA MET A 45 -7.090 -6.428 -2.953 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.308 -4.817 -4.264 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.969 -4.774 -2.545 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.910 -2.869 -3.501 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.635 -3.994 -3.080 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.982 -1.644 -6.072 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.745 -1.982 -4.340 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.701 -2.765 -5.551 1.00 0.00 H new ATOM 770 N LEU A 46 -8.582 -8.563 -2.829 1.00 0.00 N ATOM 771 CA LEU A 46 -9.444 -9.586 -2.274 1.00 0.00 C ATOM 772 C LEU A 46 -9.106 -9.797 -0.807 1.00 0.00 C ATOM 773 O LEU A 46 -7.941 -9.963 -0.457 1.00 0.00 O ATOM 774 CB LEU A 46 -9.277 -10.889 -3.054 1.00 0.00 C ATOM 775 CG LEU A 46 -9.701 -10.825 -4.523 1.00 0.00 C ATOM 776 CD1 LEU A 46 -9.464 -12.165 -5.203 1.00 0.00 C ATOM 777 CD2 LEU A 46 -11.163 -10.419 -4.643 1.00 0.00 C ATOM 0 H LEU A 46 -7.621 -8.867 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.483 -9.266 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.231 -11.191 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.856 -11.668 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.094 -10.070 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.771 -12.102 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.405 -12.417 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.046 -12.937 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.444 -10.379 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.787 -11.149 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.306 -9.437 -4.192 1.00 0.00 H new ATOM 789 N GLU A 47 -10.124 -9.789 0.043 1.00 0.00 N ATOM 790 CA GLU A 47 -9.934 -9.859 1.492 1.00 0.00 C ATOM 791 C GLU A 47 -9.204 -11.137 1.920 1.00 0.00 C ATOM 792 O GLU A 47 -8.418 -11.124 2.864 1.00 0.00 O ATOM 793 CB GLU A 47 -11.290 -9.765 2.193 1.00 0.00 C ATOM 794 CG GLU A 47 -12.004 -8.445 1.964 1.00 0.00 C ATOM 795 CD GLU A 47 -13.430 -8.457 2.473 1.00 0.00 C ATOM 796 OE1 GLU A 47 -14.307 -9.014 1.772 1.00 0.00 O ATOM 797 OE2 GLU A 47 -13.688 -7.912 3.570 1.00 0.00 O ATOM 0 H GLU A 47 -11.101 -9.734 -0.247 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.306 -9.017 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.927 -10.578 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.147 -9.910 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.452 -7.647 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.005 -8.217 0.898 1.00 0.00 H new ATOM 804 N ASN A 48 -9.466 -12.234 1.221 1.00 0.00 N ATOM 805 CA ASN A 48 -8.856 -13.523 1.552 1.00 0.00 C ATOM 806 C ASN A 48 -7.394 -13.594 1.098 1.00 0.00 C ATOM 807 O ASN A 48 -6.593 -14.338 1.665 1.00 0.00 O ATOM 808 CB ASN A 48 -9.672 -14.667 0.929 1.00 0.00 C ATOM 809 CG ASN A 48 -9.110 -16.052 1.226 1.00 0.00 C ATOM 810 OD1 ASN A 48 -8.486 -16.285 2.265 1.00 0.00 O ATOM 811 ND2 ASN A 48 -9.356 -16.989 0.321 1.00 0.00 N ATOM 0 H ASN A 48 -10.097 -12.261 0.420 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.864 -13.628 2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.696 -14.613 1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.714 -14.525 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.026 -17.942 0.471 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.876 -16.757 -0.525 1.00 0.00 H new ATOM 818 N GLU A 49 -7.043 -12.810 0.094 1.00 0.00 N ATOM 819 CA GLU A 49 -5.679 -12.819 -0.425 1.00 0.00 C ATOM 820 C GLU A 49 -4.850 -11.677 0.159 1.00 0.00 C ATOM 821 O GLU A 49 -3.623 -11.759 0.216 1.00 0.00 O ATOM 822 CB GLU A 49 -5.669 -12.753 -1.954 1.00 0.00 C ATOM 823 CG GLU A 49 -6.220 -14.007 -2.620 1.00 0.00 C ATOM 824 CD GLU A 49 -5.754 -14.161 -4.054 1.00 0.00 C ATOM 825 OE1 GLU A 49 -4.603 -14.611 -4.260 1.00 0.00 O ATOM 826 OE2 GLU A 49 -6.530 -13.848 -4.978 1.00 0.00 O ATOM 0 H GLU A 49 -7.675 -12.163 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.224 -13.760 -0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.255 -11.893 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.647 -12.589 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.914 -14.882 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.309 -13.976 -2.598 1.00 0.00 H new ATOM 833 N ALA A 50 -5.519 -10.617 0.586 1.00 0.00 N ATOM 834 CA ALA A 50 -4.842 -9.493 1.219 1.00 0.00 C ATOM 835 C ALA A 50 -4.407 -9.850 2.638 1.00 0.00 C ATOM 836 O ALA A 50 -4.999 -10.718 3.282 1.00 0.00 O ATOM 837 CB ALA A 50 -5.745 -8.268 1.235 1.00 0.00 C ATOM 0 H ALA A 50 -6.530 -10.510 0.506 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.951 -9.262 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.224 -7.438 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.005 -7.994 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.654 -8.493 1.793 1.00 0.00 H new ATOM 843 N ARG A 51 -3.365 -9.190 3.116 1.00 0.00 N ATOM 844 CA ARG A 51 -2.847 -9.445 4.444 1.00 0.00 C ATOM 845 C ARG A 51 -3.114 -8.251 5.353 1.00 0.00 C ATOM 846 O ARG A 51 -3.225 -7.127 4.878 1.00 0.00 O ATOM 847 CB ARG A 51 -1.346 -9.717 4.365 1.00 0.00 C ATOM 848 CG ARG A 51 -0.981 -10.880 3.454 1.00 0.00 C ATOM 849 CD ARG A 51 -1.682 -12.162 3.872 1.00 0.00 C ATOM 850 NE ARG A 51 -1.384 -13.266 2.965 1.00 0.00 N ATOM 851 CZ ARG A 51 -2.250 -14.228 2.653 1.00 0.00 C ATOM 852 NH1 ARG A 51 -3.458 -14.241 3.198 1.00 0.00 N ATOM 853 NH2 ARG A 51 -1.904 -15.185 1.803 1.00 0.00 N ATOM 0 H ARG A 51 -2.861 -8.470 2.598 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.350 -10.318 4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.841 -8.818 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.970 -9.921 5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.251 -10.636 2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.098 -11.032 3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.376 -12.430 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.759 -11.995 3.899 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.455 -13.303 2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.727 -13.512 3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.119 -14.980 2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.973 -15.185 1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.569 -15.921 1.565 1.00 0.00 H new ATOM 867 N PRO A 52 -3.253 -8.477 6.665 1.00 0.00 N ATOM 868 CA PRO A 52 -3.408 -7.400 7.641 1.00 0.00 C ATOM 869 C PRO A 52 -2.060 -6.780 8.017 1.00 0.00 C ATOM 870 O PRO A 52 -1.035 -7.464 8.022 1.00 0.00 O ATOM 871 CB PRO A 52 -4.036 -8.100 8.861 1.00 0.00 C ATOM 872 CG PRO A 52 -4.217 -9.538 8.474 1.00 0.00 C ATOM 873 CD PRO A 52 -3.303 -9.788 7.311 1.00 0.00 C ATOM 0 HA PRO A 52 -4.012 -6.579 7.255 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.391 -8.011 9.735 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.991 -7.644 9.122 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.973 -10.197 9.307 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.253 -9.738 8.202 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.316 -10.120 7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.695 -10.555 6.644 1.00 0.00 H new ATOM 881 N LEU A 53 -2.064 -5.490 8.331 1.00 0.00 N ATOM 882 CA LEU A 53 -0.854 -4.804 8.735 1.00 0.00 C ATOM 883 C LEU A 53 -0.703 -4.843 10.237 1.00 0.00 C ATOM 884 O LEU A 53 -1.689 -4.798 10.976 1.00 0.00 O ATOM 885 CB LEU A 53 -0.865 -3.352 8.268 1.00 0.00 C ATOM 886 CG LEU A 53 -0.506 -3.131 6.803 1.00 0.00 C ATOM 887 CD1 LEU A 53 -0.630 -1.662 6.441 1.00 0.00 C ATOM 888 CD2 LEU A 53 0.898 -3.633 6.507 1.00 0.00 C ATOM 0 H LEU A 53 -2.897 -4.901 8.312 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.012 -5.317 8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.857 -2.939 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.167 -2.785 8.884 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.207 -3.700 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.370 -1.523 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.655 -1.331 6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.046 -1.076 7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.131 -3.464 5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.615 -3.096 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.957 -4.699 6.725 1.00 0.00 H new ATOM 900 N SER A 54 0.527 -4.934 10.678 1.00 0.00 N ATOM 901 CA SER A 54 0.821 -4.920 12.091 1.00 0.00 C ATOM 902 C SER A 54 1.155 -3.503 12.540 1.00 0.00 C ATOM 903 O SER A 54 1.252 -2.594 11.716 1.00 0.00 O ATOM 904 CB SER A 54 1.967 -5.879 12.413 1.00 0.00 C ATOM 905 OG SER A 54 3.084 -5.653 11.567 1.00 0.00 O ATOM 0 H SER A 54 1.346 -5.019 10.076 1.00 0.00 H new ATOM 0 HA SER A 54 -0.060 -5.257 12.636 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.266 -5.755 13.454 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.625 -6.908 12.300 1.00 0.00 H new ATOM 0 HG SER A 54 2.882 -5.979 10.665 1.00 0.00 H new ATOM 911 N GLU A 55 1.350 -3.330 13.837 1.00 0.00 N ATOM 912 CA GLU A 55 1.569 -2.027 14.427 1.00 0.00 C ATOM 913 C GLU A 55 2.859 -1.388 13.933 1.00 0.00 C ATOM 914 O GLU A 55 2.882 -0.206 13.637 1.00 0.00 O ATOM 915 CB GLU A 55 1.590 -2.173 15.942 1.00 0.00 C ATOM 916 CG GLU A 55 0.244 -1.920 16.601 1.00 0.00 C ATOM 917 CD GLU A 55 -0.105 -0.447 16.672 1.00 0.00 C ATOM 918 OE1 GLU A 55 -0.330 0.177 15.616 1.00 0.00 O ATOM 919 OE2 GLU A 55 -0.147 0.099 17.794 1.00 0.00 O ATOM 0 H GLU A 55 1.360 -4.096 14.511 1.00 0.00 H new ATOM 0 HA GLU A 55 0.756 -1.367 14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.925 -3.179 16.196 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.322 -1.479 16.355 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.532 -2.447 16.046 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.253 -2.336 17.608 1.00 0.00 H new ATOM 926 N GLU A 56 3.927 -2.170 13.854 1.00 0.00 N ATOM 927 CA GLU A 56 5.191 -1.695 13.341 1.00 0.00 C ATOM 928 C GLU A 56 5.031 -1.170 11.922 1.00 0.00 C ATOM 929 O GLU A 56 5.470 -0.067 11.597 1.00 0.00 O ATOM 930 CB GLU A 56 6.186 -2.843 13.366 1.00 0.00 C ATOM 931 CG GLU A 56 7.592 -2.402 13.082 1.00 0.00 C ATOM 932 CD GLU A 56 8.578 -3.548 13.066 1.00 0.00 C ATOM 933 OE1 GLU A 56 9.002 -3.987 14.155 1.00 0.00 O ATOM 934 OE2 GLU A 56 8.936 -4.016 11.963 1.00 0.00 O ATOM 0 H GLU A 56 3.935 -3.148 14.144 1.00 0.00 H new ATOM 0 HA GLU A 56 5.552 -0.876 13.963 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.152 -3.326 14.343 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.889 -3.591 12.630 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.620 -1.892 12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.899 -1.676 13.835 1.00 0.00 H new ATOM 941 N GLU A 57 4.396 -1.979 11.090 1.00 0.00 N ATOM 942 CA GLU A 57 4.102 -1.609 9.719 1.00 0.00 C ATOM 943 C GLU A 57 3.265 -0.333 9.671 1.00 0.00 C ATOM 944 O GLU A 57 3.646 0.644 9.031 1.00 0.00 O ATOM 945 CB GLU A 57 3.378 -2.768 9.044 1.00 0.00 C ATOM 946 CG GLU A 57 4.230 -4.029 8.961 1.00 0.00 C ATOM 947 CD GLU A 57 3.492 -5.221 8.384 1.00 0.00 C ATOM 948 OE1 GLU A 57 2.505 -5.665 9.008 1.00 0.00 O ATOM 949 OE2 GLU A 57 3.910 -5.733 7.321 1.00 0.00 O ATOM 0 H GLU A 57 4.071 -2.911 11.348 1.00 0.00 H new ATOM 0 HA GLU A 57 5.031 -1.405 9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.463 -2.989 9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.081 -2.469 8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.108 -3.825 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.589 -4.282 9.959 1.00 0.00 H new ATOM 956 N LEU A 58 2.132 -0.356 10.362 1.00 0.00 N ATOM 957 CA LEU A 58 1.264 0.817 10.497 1.00 0.00 C ATOM 958 C LEU A 58 2.034 2.045 10.976 1.00 0.00 C ATOM 959 O LEU A 58 1.879 3.144 10.434 1.00 0.00 O ATOM 960 CB LEU A 58 0.142 0.517 11.483 1.00 0.00 C ATOM 961 CG LEU A 58 -0.858 -0.530 11.020 1.00 0.00 C ATOM 962 CD1 LEU A 58 -1.868 -0.818 12.117 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.564 -0.075 9.750 1.00 0.00 C ATOM 0 H LEU A 58 1.786 -1.185 10.845 1.00 0.00 H new ATOM 0 HA LEU A 58 0.855 1.036 9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.584 0.185 12.423 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.394 1.442 11.692 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.316 -1.449 10.798 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.577 -1.570 11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.349 -1.189 13.001 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.403 0.098 12.368 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.275 -0.839 9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.094 0.858 9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.828 0.082 8.961 1.00 0.00 H new ATOM 975 N LYS A 59 2.860 1.843 11.994 1.00 0.00 N ATOM 976 CA LYS A 59 3.618 2.917 12.622 1.00 0.00 C ATOM 977 C LYS A 59 4.616 3.544 11.660 1.00 0.00 C ATOM 978 O LYS A 59 5.026 4.694 11.829 1.00 0.00 O ATOM 979 CB LYS A 59 4.347 2.369 13.846 1.00 0.00 C ATOM 980 CG LYS A 59 3.928 3.022 15.146 1.00 0.00 C ATOM 981 CD LYS A 59 4.281 4.498 15.170 1.00 0.00 C ATOM 982 CE LYS A 59 3.707 5.182 16.396 1.00 0.00 C ATOM 983 NZ LYS A 59 2.224 5.150 16.400 1.00 0.00 N ATOM 0 H LYS A 59 3.024 0.926 12.409 1.00 0.00 H new ATOM 0 HA LYS A 59 2.918 3.698 12.920 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.168 1.296 13.914 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.420 2.505 13.710 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.853 2.902 15.284 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.415 2.517 15.981 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.365 4.615 15.159 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.899 4.980 14.270 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.084 4.694 17.295 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.048 6.217 16.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.863 5.867 17.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.870 5.352 15.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.898 4.208 16.698 1.00 0.00 H new ATOM 997 N ALA A 60 5.010 2.792 10.656 1.00 0.00 N ATOM 998 CA ALA A 60 5.947 3.294 9.670 1.00 0.00 C ATOM 999 C ALA A 60 5.228 3.774 8.423 1.00 0.00 C ATOM 1000 O ALA A 60 5.854 4.040 7.398 1.00 0.00 O ATOM 1001 CB ALA A 60 6.973 2.229 9.322 1.00 0.00 C ATOM 0 H ALA A 60 4.699 1.833 10.499 1.00 0.00 H new ATOM 0 HA ALA A 60 6.467 4.148 10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.669 2.622 8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.522 1.945 10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.466 1.354 8.915 1.00 0.00 H new ATOM 1007 N LEU A 61 3.921 3.930 8.531 1.00 0.00 N ATOM 1008 CA LEU A 61 3.114 4.369 7.397 1.00 0.00 C ATOM 1009 C LEU A 61 2.307 5.605 7.742 1.00 0.00 C ATOM 1010 O LEU A 61 1.505 6.089 6.943 1.00 0.00 O ATOM 1011 CB LEU A 61 2.185 3.253 6.918 1.00 0.00 C ATOM 1012 CG LEU A 61 2.885 1.984 6.428 1.00 0.00 C ATOM 1013 CD1 LEU A 61 1.862 0.941 6.022 1.00 0.00 C ATOM 1014 CD2 LEU A 61 3.822 2.289 5.267 1.00 0.00 C ATOM 0 H LEU A 61 3.393 3.761 9.387 1.00 0.00 H new ATOM 0 HA LEU A 61 3.800 4.621 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.514 2.986 7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.565 3.641 6.110 1.00 0.00 H new ATOM 0 HG LEU A 61 3.483 1.588 7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.375 0.044 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.236 0.693 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.239 1.336 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.306 1.369 4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.252 2.714 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.580 3.003 5.589 1.00 0.00 H new ATOM 1026 N GLU A 62 2.533 6.113 8.932 1.00 0.00 N ATOM 1027 CA GLU A 62 1.878 7.337 9.372 1.00 0.00 C ATOM 1028 C GLU A 62 2.847 8.502 9.248 1.00 0.00 C ATOM 1029 O GLU A 62 2.452 9.668 9.234 1.00 0.00 O ATOM 1030 CB GLU A 62 1.365 7.205 10.808 1.00 0.00 C ATOM 1031 CG GLU A 62 2.441 6.913 11.842 1.00 0.00 C ATOM 1032 CD GLU A 62 1.900 6.940 13.260 1.00 0.00 C ATOM 1033 OE1 GLU A 62 1.755 8.047 13.820 1.00 0.00 O ATOM 1034 OE2 GLU A 62 1.609 5.862 13.822 1.00 0.00 O ATOM 0 H GLU A 62 3.166 5.701 9.618 1.00 0.00 H new ATOM 0 HA GLU A 62 1.013 7.522 8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.856 8.128 11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.622 6.409 10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.879 5.935 11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.242 7.646 11.747 1.00 0.00 H new ATOM 1041 N HIS A 63 4.120 8.153 9.156 1.00 0.00 N ATOM 1042 CA HIS A 63 5.198 9.104 8.940 1.00 0.00 C ATOM 1043 C HIS A 63 6.468 8.319 8.655 1.00 0.00 C ATOM 1044 O HIS A 63 6.784 7.376 9.374 1.00 0.00 O ATOM 1045 CB HIS A 63 5.394 10.008 10.167 1.00 0.00 C ATOM 1046 CG HIS A 63 6.380 11.119 9.952 1.00 0.00 C ATOM 1047 ND1 HIS A 63 7.512 11.285 10.722 1.00 0.00 N ATOM 1048 CD2 HIS A 63 6.392 12.129 9.051 1.00 0.00 C ATOM 1049 CE1 HIS A 63 8.174 12.349 10.303 1.00 0.00 C ATOM 1050 NE2 HIS A 63 7.517 12.878 9.291 1.00 0.00 N ATOM 0 H HIS A 63 4.438 7.187 9.230 1.00 0.00 H new ATOM 0 HA HIS A 63 4.952 9.750 8.097 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.432 10.438 10.447 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.727 9.398 11.007 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.653 12.312 8.285 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.098 12.722 10.720 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.798 13.709 8.771 1.00 0.00 H new ATOM 1059 N HIS A 64 7.179 8.679 7.603 1.00 0.00 N ATOM 1060 CA HIS A 64 8.384 7.955 7.232 1.00 0.00 C ATOM 1061 C HIS A 64 9.535 8.315 8.166 1.00 0.00 C ATOM 1062 O HIS A 64 10.048 9.432 8.138 1.00 0.00 O ATOM 1063 CB HIS A 64 8.755 8.223 5.768 1.00 0.00 C ATOM 1064 CG HIS A 64 7.858 7.525 4.784 1.00 0.00 C ATOM 1065 ND1 HIS A 64 8.209 6.350 4.162 1.00 0.00 N ATOM 1066 CD2 HIS A 64 6.621 7.836 4.322 1.00 0.00 C ATOM 1067 CE1 HIS A 64 7.233 5.963 3.363 1.00 0.00 C ATOM 1068 NE2 HIS A 64 6.255 6.844 3.439 1.00 0.00 N ATOM 0 H HIS A 64 6.947 9.463 6.993 1.00 0.00 H new ATOM 0 HA HIS A 64 8.187 6.888 7.334 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.718 9.297 5.583 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.784 7.905 5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.033 8.700 4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.235 5.074 2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.373 6.799 2.928 1.00 0.00 H new ATOM 1077 N HIS A 65 9.903 7.367 9.018 1.00 0.00 N ATOM 1078 CA HIS A 65 10.983 7.571 9.976 1.00 0.00 C ATOM 1079 C HIS A 65 12.034 6.472 9.842 1.00 0.00 C ATOM 1080 O HIS A 65 12.431 5.846 10.826 1.00 0.00 O ATOM 1081 CB HIS A 65 10.447 7.659 11.421 1.00 0.00 C ATOM 1082 CG HIS A 65 9.580 6.509 11.860 1.00 0.00 C ATOM 1083 ND1 HIS A 65 10.032 5.482 12.657 1.00 0.00 N ATOM 1084 CD2 HIS A 65 8.272 6.248 11.628 1.00 0.00 C ATOM 1085 CE1 HIS A 65 9.043 4.641 12.894 1.00 0.00 C ATOM 1086 NE2 HIS A 65 7.962 5.083 12.281 1.00 0.00 N ATOM 0 H HIS A 65 9.468 6.446 9.065 1.00 0.00 H new ATOM 0 HA HIS A 65 11.458 8.525 9.749 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.296 7.732 12.101 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.876 8.582 11.523 1.00 0.00 H new ATOM 0 HD2 HIS A 65 7.596 6.848 11.037 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.108 3.742 13.489 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.047 4.633 12.291 1.00 0.00 H new ATOM 1095 N HIS A 66 12.470 6.246 8.604 1.00 0.00 N ATOM 1096 CA HIS A 66 13.523 5.278 8.298 1.00 0.00 C ATOM 1097 C HIS A 66 13.760 5.242 6.794 1.00 0.00 C ATOM 1098 O HIS A 66 12.858 4.902 6.025 1.00 0.00 O ATOM 1099 CB HIS A 66 13.161 3.870 8.790 1.00 0.00 C ATOM 1100 CG HIS A 66 14.298 2.895 8.710 1.00 0.00 C ATOM 1101 ND1 HIS A 66 14.438 1.989 7.685 1.00 0.00 N ATOM 1102 CD2 HIS A 66 15.352 2.689 9.537 1.00 0.00 C ATOM 1103 CE1 HIS A 66 15.523 1.266 7.882 1.00 0.00 C ATOM 1104 NE2 HIS A 66 16.099 1.668 9.000 1.00 0.00 N ATOM 0 H HIS A 66 12.103 6.729 7.784 1.00 0.00 H new ATOM 0 HA HIS A 66 14.428 5.594 8.816 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.819 3.932 9.823 1.00 0.00 H new ATOM 0 HB3 HIS A 66 12.326 3.491 8.200 1.00 0.00 H new ATOM 0 HD2 HIS A 66 15.565 3.227 10.449 1.00 0.00 H new ATOM 0 HE1 HIS A 66 15.881 0.477 7.237 1.00 0.00 H new ATOM 0 HE2 HIS A 66 16.956 1.285 9.399 1.00 0.00 H new ATOM 1113 N HIS A 67 14.966 5.589 6.376 1.00 0.00 N ATOM 1114 CA HIS A 67 15.296 5.607 4.958 1.00 0.00 C ATOM 1115 C HIS A 67 16.268 4.484 4.625 1.00 0.00 C ATOM 1116 O HIS A 67 16.648 3.700 5.492 1.00 0.00 O ATOM 1117 CB HIS A 67 15.890 6.963 4.539 1.00 0.00 C ATOM 1118 CG HIS A 67 17.246 7.261 5.120 1.00 0.00 C ATOM 1119 ND1 HIS A 67 18.430 6.917 4.495 1.00 0.00 N ATOM 1120 CD2 HIS A 67 17.600 7.879 6.271 1.00 0.00 C ATOM 1121 CE1 HIS A 67 19.447 7.313 5.236 1.00 0.00 C ATOM 1122 NE2 HIS A 67 18.972 7.901 6.319 1.00 0.00 N ATOM 0 H HIS A 67 15.731 5.861 6.994 1.00 0.00 H new ATOM 0 HA HIS A 67 14.372 5.455 4.399 1.00 0.00 H new ATOM 0 HB2 HIS A 67 15.961 6.993 3.452 1.00 0.00 H new ATOM 0 HB3 HIS A 67 15.201 7.754 4.836 1.00 0.00 H new ATOM 0 HD1 HIS A 67 18.506 6.433 3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.927 8.281 7.014 1.00 0.00 H new ATOM 0 HE1 HIS A 67 20.492 7.179 4.997 1.00 0.00 H new ATOM 1131 N HIS A 68 16.657 4.410 3.365 1.00 0.00 N ATOM 1132 CA HIS A 68 17.655 3.449 2.926 1.00 0.00 C ATOM 1133 C HIS A 68 18.960 4.174 2.655 1.00 0.00 C ATOM 1134 O HIS A 68 20.038 3.577 2.847 1.00 0.00 O ATOM 1135 CB HIS A 68 17.192 2.708 1.667 1.00 0.00 C ATOM 1136 CG HIS A 68 15.947 1.900 1.869 1.00 0.00 C ATOM 1137 ND1 HIS A 68 14.845 2.000 1.051 1.00 0.00 N ATOM 1138 CD2 HIS A 68 15.637 0.973 2.805 1.00 0.00 C ATOM 1139 CE1 HIS A 68 13.907 1.172 1.477 1.00 0.00 C ATOM 1140 NE2 HIS A 68 14.364 0.536 2.541 1.00 0.00 N ATOM 1141 OXT HIS A 68 18.897 5.365 2.273 1.00 0.00 O ATOM 0 H HIS A 68 16.295 5.008 2.622 1.00 0.00 H new ATOM 0 HA HIS A 68 17.800 2.710 3.714 1.00 0.00 H new ATOM 0 HB2 HIS A 68 17.019 3.433 0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 68 17.992 2.049 1.329 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.274 0.639 3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.933 1.038 1.031 1.00 0.00 H new ATOM 0 HE2 HIS A 68 13.854 -0.165 3.078 1.00 0.00 H new TER 1150 HIS A 68