USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 165:sc=-0.000338 (180deg=-0.116) USER MOD Single : A 1 MET N :NH3+ 165:sc=-0.00486 (180deg=-0.135) USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= -0.0664 (180deg=-0.961) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.126) USER MOD Single : A 5 THR OG1 : rot 27:sc= 0.396 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 11 GLN : amide:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 22 ASN : amide:sc= -1.02 X(o=-1,f=-0.56) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 160:sc= -0.512 USER MOD Single : A 41 SER OG : rot -47:sc= 0.0311 USER MOD Single : A 46 HIS : no HE2:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 51 ASN : amide:sc=-0.000366 X(o=-0.00037,f=-0.43) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= -0.544 USER MOD Single : A 57 ASN : amide:sc= 0.214 K(o=0.21,f=-7.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0332) USER MOD Single : A 73 GLN : amide:sc= -2.25 X(o=-2.3,f=-2.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.335 X(o=-0.33,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 82 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.36) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.703 USER MOD Single : A 89 HIS : no HE2:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.558 -6.588 -3.134 1.00 0.00 N ATOM 2 CA MET A 1 -24.230 -5.539 -2.376 1.00 0.00 C ATOM 3 C MET A 1 -24.495 -4.306 -3.266 1.00 0.00 C ATOM 4 O MET A 1 -23.564 -3.752 -3.853 1.00 0.00 O ATOM 5 CB MET A 1 -23.401 -5.144 -1.137 1.00 0.00 C ATOM 6 CG MET A 1 -22.080 -4.432 -1.468 1.00 0.00 C ATOM 7 SD MET A 1 -20.717 -4.873 -0.344 1.00 0.00 S ATOM 8 CE MET A 1 -20.385 -6.581 -0.865 1.00 0.00 C ATOM 0 H1 MET A 1 -23.164 -7.292 -2.478 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.241 -7.049 -3.769 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.789 -6.171 -3.697 1.00 0.00 H new ATOM 0 HA MET A 1 -25.190 -5.929 -2.036 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.003 -4.494 -0.502 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.183 -6.041 -0.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.791 -4.676 -2.490 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.238 -3.354 -1.430 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.421 -6.901 -0.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.169 -7.236 -0.485 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.366 -6.632 -1.954 1.00 0.00 H new ATOM 19 N LYS A 2 -25.770 -3.885 -3.370 1.00 0.00 N ATOM 20 CA LYS A 2 -26.236 -2.758 -4.191 1.00 0.00 C ATOM 21 C LYS A 2 -26.244 -1.454 -3.364 1.00 0.00 C ATOM 22 O LYS A 2 -25.205 -0.810 -3.208 1.00 0.00 O ATOM 23 CB LYS A 2 -27.633 -3.075 -4.766 1.00 0.00 C ATOM 24 CG LYS A 2 -27.569 -4.019 -5.980 1.00 0.00 C ATOM 25 CD LYS A 2 -26.980 -5.392 -5.627 1.00 0.00 C ATOM 26 CE LYS A 2 -27.569 -6.466 -6.554 1.00 0.00 C ATOM 27 NZ LYS A 2 -27.763 -5.964 -7.925 1.00 0.00 N ATOM 0 H LYS A 2 -26.530 -4.340 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 2 -25.550 -2.611 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -28.248 -3.529 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -28.122 -2.146 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -28.572 -4.151 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -26.966 -3.559 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -25.895 -5.369 -5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -27.200 -5.636 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -26.906 -7.331 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -28.524 -6.806 -6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -27.712 -6.757 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -28.694 -5.507 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -27.019 -5.273 -8.150 1.00 0.00 H new ATOM 41 N LYS A 3 -27.422 -1.069 -2.836 1.00 0.00 N ATOM 42 CA LYS A 3 -27.687 0.222 -2.186 1.00 0.00 C ATOM 43 C LYS A 3 -26.953 1.362 -2.926 1.00 0.00 C ATOM 44 O LYS A 3 -26.270 2.171 -2.298 1.00 0.00 O ATOM 45 CB LYS A 3 -27.273 0.152 -0.700 1.00 0.00 C ATOM 46 CG LYS A 3 -27.514 -1.239 -0.088 1.00 0.00 C ATOM 47 CD LYS A 3 -26.300 -2.166 -0.238 1.00 0.00 C ATOM 48 CE LYS A 3 -26.171 -3.062 1.003 1.00 0.00 C ATOM 49 NZ LYS A 3 -26.569 -4.453 0.723 1.00 0.00 N ATOM 0 H LYS A 3 -28.243 -1.674 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 3 -28.755 0.437 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -26.218 0.409 -0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.833 0.897 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.755 -1.130 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.379 -1.698 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -26.409 -2.781 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -25.393 -1.575 -0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -25.140 -3.044 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -26.791 -2.662 1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -26.279 -5.063 1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -27.601 -4.502 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.107 -4.777 -0.151 1.00 0.00 H new ATOM 63 N ALA A 4 -27.098 1.419 -4.264 1.00 0.00 N ATOM 64 CA ALA A 4 -26.625 2.508 -5.130 1.00 0.00 C ATOM 65 C ALA A 4 -25.185 2.927 -4.766 1.00 0.00 C ATOM 66 O ALA A 4 -24.986 3.923 -4.069 1.00 0.00 O ATOM 67 CB ALA A 4 -27.580 3.708 -5.025 1.00 0.00 C ATOM 0 H ALA A 4 -27.566 0.679 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 4 -26.613 2.150 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -27.225 4.513 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -28.579 3.406 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -27.614 4.057 -3.993 1.00 0.00 H new ATOM 73 N THR A 5 -24.183 2.169 -5.251 1.00 0.00 N ATOM 74 CA THR A 5 -22.753 2.354 -4.962 1.00 0.00 C ATOM 75 C THR A 5 -21.901 1.715 -6.080 1.00 0.00 C ATOM 76 O THR A 5 -22.077 0.539 -6.400 1.00 0.00 O ATOM 77 CB THR A 5 -22.416 1.759 -3.575 1.00 0.00 C ATOM 78 OG1 THR A 5 -22.793 2.663 -2.552 1.00 0.00 O ATOM 79 CG2 THR A 5 -20.920 1.443 -3.404 1.00 0.00 C ATOM 0 H THR A 5 -24.356 1.383 -5.877 1.00 0.00 H new ATOM 0 HA THR A 5 -22.520 3.418 -4.935 1.00 0.00 H new ATOM 0 HB THR A 5 -22.974 0.825 -3.503 1.00 0.00 H new ATOM 0 HG1 THR A 5 -23.534 3.222 -2.866 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.747 1.028 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.613 0.719 -4.158 1.00 0.00 H new ATOM 0 HG23 THR A 5 -20.339 2.358 -3.522 1.00 0.00 H new ATOM 87 N CYS A 6 -20.979 2.498 -6.673 1.00 0.00 N ATOM 88 CA CYS A 6 -20.159 2.125 -7.835 1.00 0.00 C ATOM 89 C CYS A 6 -18.727 1.762 -7.388 1.00 0.00 C ATOM 90 O CYS A 6 -17.784 2.508 -7.655 1.00 0.00 O ATOM 91 CB CYS A 6 -20.155 3.278 -8.859 1.00 0.00 C ATOM 92 SG CYS A 6 -21.836 3.892 -9.185 1.00 0.00 S ATOM 0 H CYS A 6 -20.780 3.442 -6.341 1.00 0.00 H new ATOM 0 HA CYS A 6 -20.587 1.244 -8.313 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -19.535 4.094 -8.487 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -19.705 2.936 -9.791 1.00 0.00 H new ATOM 0 HG CYS A 6 -21.784 4.862 -10.049 1.00 0.00 H new ATOM 98 N LEU A 7 -18.568 0.613 -6.698 1.00 0.00 N ATOM 99 CA LEU A 7 -17.337 0.159 -6.032 1.00 0.00 C ATOM 100 C LEU A 7 -16.460 -0.671 -6.999 1.00 0.00 C ATOM 101 O LEU A 7 -15.647 -1.492 -6.575 1.00 0.00 O ATOM 102 CB LEU A 7 -17.693 -0.688 -4.793 1.00 0.00 C ATOM 103 CG LEU A 7 -17.542 0.027 -3.432 1.00 0.00 C ATOM 104 CD1 LEU A 7 -16.092 -0.118 -2.943 1.00 0.00 C ATOM 105 CD2 LEU A 7 -17.897 1.520 -3.517 1.00 0.00 C ATOM 0 H LEU A 7 -19.333 -0.052 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.771 1.037 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -18.723 -1.029 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.062 -1.577 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.236 -0.441 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.980 0.385 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.850 -1.175 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.416 0.333 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.776 1.979 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.237 2.011 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.931 1.630 -3.844 1.00 0.00 H new ATOM 117 N THR A 8 -16.634 -0.421 -8.316 1.00 0.00 N ATOM 118 CA THR A 8 -15.806 -0.928 -9.418 1.00 0.00 C ATOM 119 C THR A 8 -14.332 -0.502 -9.236 1.00 0.00 C ATOM 120 O THR A 8 -14.040 0.390 -8.436 1.00 0.00 O ATOM 121 CB THR A 8 -16.371 -0.435 -10.773 1.00 0.00 C ATOM 122 OG1 THR A 8 -17.787 -0.467 -10.756 1.00 0.00 O ATOM 123 CG2 THR A 8 -15.893 -1.276 -11.968 1.00 0.00 C ATOM 0 H THR A 8 -17.396 0.170 -8.649 1.00 0.00 H new ATOM 0 HA THR A 8 -15.835 -2.018 -9.410 1.00 0.00 H new ATOM 0 HB THR A 8 -16.000 0.582 -10.899 1.00 0.00 H new ATOM 0 HG1 THR A 8 -18.132 -0.151 -11.617 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.324 -0.880 -12.887 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.806 -1.235 -12.030 1.00 0.00 H new ATOM 0 HG23 THR A 8 -16.210 -2.310 -11.835 1.00 0.00 H new ATOM 131 N ASP A 9 -13.409 -1.127 -9.992 1.00 0.00 N ATOM 132 CA ASP A 9 -11.952 -0.998 -9.840 1.00 0.00 C ATOM 133 C ASP A 9 -11.478 0.435 -10.166 1.00 0.00 C ATOM 134 O ASP A 9 -10.369 0.823 -9.792 1.00 0.00 O ATOM 135 CB ASP A 9 -11.245 -2.038 -10.732 1.00 0.00 C ATOM 136 CG ASP A 9 -11.803 -2.084 -12.160 1.00 0.00 C ATOM 137 OD1 ASP A 9 -11.551 -1.112 -12.906 1.00 0.00 O ATOM 138 OD2 ASP A 9 -12.470 -3.091 -12.487 1.00 0.00 O ATOM 0 H ASP A 9 -13.669 -1.757 -10.751 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.690 -1.191 -8.800 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.180 -1.810 -10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.343 -3.024 -10.278 1.00 0.00 H new ATOM 143 N ASP A 10 -12.330 1.226 -10.845 1.00 0.00 N ATOM 144 CA ASP A 10 -12.210 2.685 -10.993 1.00 0.00 C ATOM 145 C ASP A 10 -11.934 3.361 -9.635 1.00 0.00 C ATOM 146 O ASP A 10 -10.797 3.711 -9.298 1.00 0.00 O ATOM 147 CB ASP A 10 -13.496 3.235 -11.652 1.00 0.00 C ATOM 148 CG ASP A 10 -13.559 2.991 -13.164 1.00 0.00 C ATOM 149 OD1 ASP A 10 -12.791 3.664 -13.886 1.00 0.00 O ATOM 150 OD2 ASP A 10 -14.378 2.139 -13.576 1.00 0.00 O ATOM 0 H ASP A 10 -13.150 0.851 -11.322 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.360 2.914 -11.636 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.363 2.772 -11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.563 4.306 -11.461 1.00 0.00 H new ATOM 155 N GLN A 11 -12.998 3.551 -8.824 1.00 0.00 N ATOM 156 CA GLN A 11 -12.963 4.344 -7.587 1.00 0.00 C ATOM 157 C GLN A 11 -12.248 3.566 -6.463 1.00 0.00 C ATOM 158 O GLN A 11 -11.785 4.165 -5.492 1.00 0.00 O ATOM 159 CB GLN A 11 -14.407 4.713 -7.185 1.00 0.00 C ATOM 160 CG GLN A 11 -14.571 6.179 -6.743 1.00 0.00 C ATOM 161 CD GLN A 11 -15.524 7.009 -7.616 1.00 0.00 C ATOM 162 OE1 GLN A 11 -15.148 8.085 -8.080 1.00 0.00 O ATOM 163 NE2 GLN A 11 -16.747 6.530 -7.860 1.00 0.00 N ATOM 0 H GLN A 11 -13.916 3.150 -9.018 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.398 5.261 -7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.070 4.521 -8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.727 4.060 -6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.934 6.196 -5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.591 6.656 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.033 5.635 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.395 7.059 -8.444 1.00 0.00 H new ATOM 172 N ARG A 12 -12.130 2.230 -6.610 1.00 0.00 N ATOM 173 CA ARG A 12 -11.154 1.388 -5.903 1.00 0.00 C ATOM 174 C ARG A 12 -9.774 2.096 -5.875 1.00 0.00 C ATOM 175 O ARG A 12 -9.204 2.413 -4.834 1.00 0.00 O ATOM 176 CB ARG A 12 -11.025 0.026 -6.610 1.00 0.00 C ATOM 177 CG ARG A 12 -12.134 -0.985 -6.297 1.00 0.00 C ATOM 178 CD ARG A 12 -12.145 -1.412 -4.825 1.00 0.00 C ATOM 179 NE ARG A 12 -13.489 -1.858 -4.420 1.00 0.00 N ATOM 180 CZ ARG A 12 -14.053 -3.041 -4.725 1.00 0.00 C ATOM 181 NH1 ARG A 12 -13.384 -3.978 -5.416 1.00 0.00 N ATOM 182 NH2 ARG A 12 -15.311 -3.290 -4.333 1.00 0.00 N ATOM 0 H ARG A 12 -12.728 1.697 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.497 1.228 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.004 0.195 -7.687 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.066 -0.416 -6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.100 -0.549 -6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.005 -1.866 -6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.427 -2.218 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.829 -0.579 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.042 -1.212 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.427 -3.800 -5.721 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.833 -4.867 -5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.831 -2.586 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.748 -4.183 -4.559 1.00 0.00 H new ATOM 196 N TRP A 13 -9.264 2.359 -7.111 1.00 0.00 N ATOM 197 CA TRP A 13 -8.008 3.081 -7.338 1.00 0.00 C ATOM 198 C TRP A 13 -8.142 4.581 -7.004 1.00 0.00 C ATOM 199 O TRP A 13 -7.126 5.253 -6.802 1.00 0.00 O ATOM 200 CB TRP A 13 -7.513 2.891 -8.791 1.00 0.00 C ATOM 201 CG TRP A 13 -6.052 3.207 -8.976 1.00 0.00 C ATOM 202 CD1 TRP A 13 -5.532 4.210 -9.720 1.00 0.00 C ATOM 203 CD2 TRP A 13 -4.910 2.557 -8.332 1.00 0.00 C ATOM 204 NE1 TRP A 13 -4.162 4.247 -9.574 1.00 0.00 N ATOM 205 CE2 TRP A 13 -3.721 3.255 -8.723 1.00 0.00 C ATOM 206 CE3 TRP A 13 -4.752 1.449 -7.465 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -2.450 2.894 -8.240 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -3.470 1.027 -7.042 1.00 0.00 C ATOM 209 CH2 TRP A 13 -2.321 1.746 -7.431 1.00 0.00 C ATOM 0 H TRP A 13 -9.726 2.069 -7.973 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.266 2.656 -6.662 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.695 1.861 -9.096 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.101 3.528 -9.452 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.107 4.884 -10.338 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -3.552 4.922 -10.036 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.626 0.916 -7.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.583 3.489 -8.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.371 0.151 -6.419 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.343 1.418 -7.110 1.00 0.00 H new ATOM 220 N GLN A 14 -9.385 5.114 -6.924 1.00 0.00 N ATOM 221 CA GLN A 14 -9.647 6.463 -6.383 1.00 0.00 C ATOM 222 C GLN A 14 -9.300 6.520 -4.880 1.00 0.00 C ATOM 223 O GLN A 14 -8.498 7.360 -4.461 1.00 0.00 O ATOM 224 CB GLN A 14 -11.114 6.863 -6.643 1.00 0.00 C ATOM 225 CG GLN A 14 -11.686 7.831 -5.587 1.00 0.00 C ATOM 226 CD GLN A 14 -11.787 9.298 -6.030 1.00 0.00 C ATOM 227 OE1 GLN A 14 -12.875 9.870 -6.000 1.00 0.00 O ATOM 228 NE2 GLN A 14 -10.678 9.928 -6.431 1.00 0.00 N ATOM 0 H GLN A 14 -10.225 4.623 -7.231 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.007 7.182 -6.894 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.187 7.327 -7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -11.728 5.963 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.679 7.485 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.062 7.780 -4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.787 9.432 -6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.723 10.905 -6.721 1.00 0.00 H new ATOM 237 N SER A 15 -9.904 5.634 -4.062 1.00 0.00 N ATOM 238 CA SER A 15 -9.567 5.436 -2.640 1.00 0.00 C ATOM 239 C SER A 15 -8.046 5.221 -2.423 1.00 0.00 C ATOM 240 O SER A 15 -7.471 5.699 -1.446 1.00 0.00 O ATOM 241 CB SER A 15 -10.386 4.269 -2.057 1.00 0.00 C ATOM 242 OG SER A 15 -11.724 4.288 -2.514 1.00 0.00 O ATOM 0 H SER A 15 -10.656 5.023 -4.380 1.00 0.00 H new ATOM 0 HA SER A 15 -9.831 6.349 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.920 3.323 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.373 4.323 -0.968 1.00 0.00 H new ATOM 0 HG SER A 15 -12.213 3.533 -2.125 1.00 0.00 H new ATOM 248 N VAL A 16 -7.414 4.501 -3.375 1.00 0.00 N ATOM 249 CA VAL A 16 -6.033 4.004 -3.318 1.00 0.00 C ATOM 250 C VAL A 16 -5.059 5.046 -3.907 1.00 0.00 C ATOM 251 O VAL A 16 -3.885 5.081 -3.515 1.00 0.00 O ATOM 252 CB VAL A 16 -5.926 2.647 -4.064 1.00 0.00 C ATOM 253 CG1 VAL A 16 -4.514 2.401 -4.626 1.00 0.00 C ATOM 254 CG2 VAL A 16 -6.286 1.452 -3.160 1.00 0.00 C ATOM 0 H VAL A 16 -7.881 4.241 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.755 3.843 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.642 2.718 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.489 1.440 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.259 3.194 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.793 2.395 -3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.196 0.526 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.607 1.423 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.310 1.561 -2.804 1.00 0.00 H new ATOM 264 N LEU A 17 -5.518 5.886 -4.856 1.00 0.00 N ATOM 265 CA LEU A 17 -4.775 7.031 -5.405 1.00 0.00 C ATOM 266 C LEU A 17 -4.704 8.181 -4.376 1.00 0.00 C ATOM 267 O LEU A 17 -3.671 8.837 -4.238 1.00 0.00 O ATOM 268 CB LEU A 17 -5.445 7.541 -6.700 1.00 0.00 C ATOM 269 CG LEU A 17 -4.983 6.844 -7.997 1.00 0.00 C ATOM 270 CD1 LEU A 17 -5.747 7.436 -9.191 1.00 0.00 C ATOM 271 CD2 LEU A 17 -3.472 7.006 -8.236 1.00 0.00 C ATOM 0 H LEU A 17 -6.443 5.781 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.763 6.695 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.524 7.418 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.253 8.610 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.193 5.779 -7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.423 6.946 -10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.817 7.278 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.544 8.505 -9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.193 6.499 -9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.228 8.065 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.923 6.568 -7.402 1.00 0.00 H new ATOM 283 N ALA A 18 -5.816 8.404 -3.647 1.00 0.00 N ATOM 284 CA ALA A 18 -5.912 9.298 -2.486 1.00 0.00 C ATOM 285 C ALA A 18 -4.895 8.878 -1.397 1.00 0.00 C ATOM 286 O ALA A 18 -4.538 9.671 -0.527 1.00 0.00 O ATOM 287 CB ALA A 18 -7.342 9.288 -1.924 1.00 0.00 C ATOM 0 H ALA A 18 -6.702 7.947 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.674 10.313 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.399 9.955 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.037 9.626 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.605 8.276 -1.617 1.00 0.00 H new ATOM 293 N ARG A 19 -4.453 7.602 -1.460 1.00 0.00 N ATOM 294 CA ARG A 19 -3.516 6.983 -0.513 1.00 0.00 C ATOM 295 C ARG A 19 -4.125 6.940 0.910 1.00 0.00 C ATOM 296 O ARG A 19 -3.443 7.221 1.895 1.00 0.00 O ATOM 297 CB ARG A 19 -2.160 7.717 -0.553 1.00 0.00 C ATOM 298 CG ARG A 19 -1.031 6.952 0.158 1.00 0.00 C ATOM 299 CD ARG A 19 0.170 7.872 0.417 1.00 0.00 C ATOM 300 NE ARG A 19 0.801 7.587 1.714 1.00 0.00 N ATOM 301 CZ ARG A 19 0.999 8.480 2.703 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.612 9.760 2.578 1.00 0.00 N ATOM 303 NH2 ARG A 19 1.595 8.085 3.838 1.00 0.00 N ATOM 0 H ARG A 19 -4.751 6.961 -2.195 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.335 5.949 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.877 7.885 -1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.272 8.698 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.397 6.549 1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.720 6.103 -0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.903 7.747 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.155 8.912 0.391 1.00 0.00 H new ATOM 0 HE ARG A 19 1.116 6.631 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.158 10.074 1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.773 10.418 3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.894 7.116 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.749 8.754 4.592 1.00 0.00 H new ATOM 317 N ASP A 20 -5.433 6.613 0.987 1.00 0.00 N ATOM 318 CA ASP A 20 -6.317 6.857 2.135 1.00 0.00 C ATOM 319 C ASP A 20 -6.025 5.848 3.273 1.00 0.00 C ATOM 320 O ASP A 20 -6.518 4.720 3.212 1.00 0.00 O ATOM 321 CB ASP A 20 -7.789 6.780 1.669 1.00 0.00 C ATOM 322 CG ASP A 20 -8.784 6.593 2.820 1.00 0.00 C ATOM 323 OD1 ASP A 20 -8.629 7.306 3.836 1.00 0.00 O ATOM 324 OD2 ASP A 20 -9.689 5.744 2.663 1.00 0.00 O ATOM 0 H ASP A 20 -5.917 6.153 0.216 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.131 7.854 2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.039 7.692 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.897 5.953 0.967 1.00 0.00 H new ATOM 329 N PRO A 21 -5.203 6.201 4.291 1.00 0.00 N ATOM 330 CA PRO A 21 -4.582 5.242 5.222 1.00 0.00 C ATOM 331 C PRO A 21 -5.622 4.426 6.022 1.00 0.00 C ATOM 332 O PRO A 21 -5.287 3.396 6.609 1.00 0.00 O ATOM 333 CB PRO A 21 -3.683 6.068 6.156 1.00 0.00 C ATOM 334 CG PRO A 21 -3.430 7.356 5.378 1.00 0.00 C ATOM 335 CD PRO A 21 -4.742 7.546 4.614 1.00 0.00 C ATOM 0 HA PRO A 21 -4.009 4.500 4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.173 6.267 7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.752 5.546 6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.221 8.196 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.578 7.262 4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.476 8.077 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.588 8.136 3.710 1.00 0.00 H new ATOM 343 N ASN A 22 -6.881 4.905 6.055 1.00 0.00 N ATOM 344 CA ASN A 22 -7.944 4.487 6.982 1.00 0.00 C ATOM 345 C ASN A 22 -8.917 3.489 6.317 1.00 0.00 C ATOM 346 O ASN A 22 -9.985 3.208 6.869 1.00 0.00 O ATOM 347 CB ASN A 22 -8.717 5.731 7.471 1.00 0.00 C ATOM 348 CG ASN A 22 -9.753 5.417 8.557 1.00 0.00 C ATOM 349 OD1 ASN A 22 -10.852 5.970 8.553 1.00 0.00 O ATOM 350 ND2 ASN A 22 -9.411 4.523 9.488 1.00 0.00 N ATOM 0 H ASN A 22 -7.196 5.626 5.406 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.479 3.982 7.829 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.007 6.462 7.857 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.220 6.194 6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.070 4.279 10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.491 4.084 9.460 1.00 0.00 H new ATOM 357 N ALA A 23 -8.544 2.934 5.148 1.00 0.00 N ATOM 358 CA ALA A 23 -9.139 1.732 4.546 1.00 0.00 C ATOM 359 C ALA A 23 -8.199 0.515 4.697 1.00 0.00 C ATOM 360 O ALA A 23 -8.297 -0.445 3.931 1.00 0.00 O ATOM 361 CB ALA A 23 -9.459 1.995 3.066 1.00 0.00 C ATOM 0 H ALA A 23 -7.794 3.326 4.579 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.066 1.500 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.900 1.101 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.163 2.823 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.541 2.247 2.535 1.00 0.00 H new ATOM 367 N ASP A 24 -7.304 0.556 5.703 1.00 0.00 N ATOM 368 CA ASP A 24 -6.552 -0.592 6.231 1.00 0.00 C ATOM 369 C ASP A 24 -7.489 -1.594 6.939 1.00 0.00 C ATOM 370 O ASP A 24 -7.780 -1.442 8.126 1.00 0.00 O ATOM 371 CB ASP A 24 -5.446 -0.077 7.180 1.00 0.00 C ATOM 372 CG ASP A 24 -4.794 -1.187 8.013 1.00 0.00 C ATOM 373 OD1 ASP A 24 -3.824 -1.793 7.506 1.00 0.00 O ATOM 374 OD2 ASP A 24 -5.272 -1.407 9.147 1.00 0.00 O ATOM 0 H ASP A 24 -7.078 1.425 6.187 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.086 -1.130 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.678 0.425 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.872 0.669 7.851 1.00 0.00 H new ATOM 379 N GLY A 25 -7.967 -2.614 6.200 1.00 0.00 N ATOM 380 CA GLY A 25 -8.971 -3.592 6.640 1.00 0.00 C ATOM 381 C GLY A 25 -10.237 -3.560 5.758 1.00 0.00 C ATOM 382 O GLY A 25 -11.014 -4.518 5.753 1.00 0.00 O ATOM 0 H GLY A 25 -7.650 -2.782 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.538 -4.592 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.245 -3.389 7.675 1.00 0.00 H new ATOM 386 N GLU A 26 -10.447 -2.455 5.019 1.00 0.00 N ATOM 387 CA GLU A 26 -11.548 -2.256 4.064 1.00 0.00 C ATOM 388 C GLU A 26 -11.356 -3.152 2.822 1.00 0.00 C ATOM 389 O GLU A 26 -12.311 -3.745 2.320 1.00 0.00 O ATOM 390 CB GLU A 26 -11.639 -0.765 3.671 1.00 0.00 C ATOM 391 CG GLU A 26 -13.092 -0.291 3.477 1.00 0.00 C ATOM 392 CD GLU A 26 -13.798 0.122 4.774 1.00 0.00 C ATOM 393 OE1 GLU A 26 -13.630 -0.625 5.763 1.00 0.00 O ATOM 394 OE2 GLU A 26 -14.491 1.164 4.768 1.00 0.00 O ATOM 0 H GLU A 26 -9.829 -1.646 5.075 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.487 -2.544 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.163 -0.160 4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.081 -0.601 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.098 0.554 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.663 -1.090 3.005 1.00 0.00 H new ATOM 401 N PHE A 27 -10.098 -3.247 2.335 1.00 0.00 N ATOM 402 CA PHE A 27 -9.675 -4.139 1.248 1.00 0.00 C ATOM 403 C PHE A 27 -8.137 -4.299 1.211 1.00 0.00 C ATOM 404 O PHE A 27 -7.430 -3.735 2.047 1.00 0.00 O ATOM 405 CB PHE A 27 -10.176 -3.599 -0.108 1.00 0.00 C ATOM 406 CG PHE A 27 -9.954 -2.112 -0.354 1.00 0.00 C ATOM 407 CD1 PHE A 27 -8.967 -1.404 0.367 1.00 0.00 C ATOM 408 CD2 PHE A 27 -10.720 -1.434 -1.335 1.00 0.00 C ATOM 409 CE1 PHE A 27 -8.674 -0.062 0.038 1.00 0.00 C ATOM 410 CE2 PHE A 27 -10.443 -0.087 -1.646 1.00 0.00 C ATOM 411 CZ PHE A 27 -9.435 0.607 -0.943 1.00 0.00 C ATOM 0 H PHE A 27 -9.331 -2.685 2.704 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.113 -5.119 1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -9.683 -4.157 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.243 -3.806 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.435 -1.890 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -11.519 -1.951 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.867 0.452 0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.002 0.414 -2.422 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.247 1.649 -1.156 1.00 0.00 H new ATOM 421 N VAL A 28 -7.630 -5.051 0.214 1.00 0.00 N ATOM 422 CA VAL A 28 -6.236 -5.041 -0.257 1.00 0.00 C ATOM 423 C VAL A 28 -6.206 -4.881 -1.793 1.00 0.00 C ATOM 424 O VAL A 28 -7.254 -4.902 -2.440 1.00 0.00 O ATOM 425 CB VAL A 28 -5.491 -6.328 0.192 1.00 0.00 C ATOM 426 CG1 VAL A 28 -5.919 -6.768 1.608 1.00 0.00 C ATOM 427 CG2 VAL A 28 -5.706 -7.513 -0.768 1.00 0.00 C ATOM 0 H VAL A 28 -8.209 -5.710 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.716 -4.193 0.189 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.434 -6.062 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.377 -7.671 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.693 -5.974 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.990 -6.970 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.161 -8.382 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.769 -7.748 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.341 -7.248 -1.760 1.00 0.00 H new ATOM 437 N PHE A 29 -5.002 -4.701 -2.377 1.00 0.00 N ATOM 438 CA PHE A 29 -4.770 -4.699 -3.830 1.00 0.00 C ATOM 439 C PHE A 29 -3.429 -5.381 -4.187 1.00 0.00 C ATOM 440 O PHE A 29 -2.527 -5.473 -3.354 1.00 0.00 O ATOM 441 CB PHE A 29 -4.805 -3.261 -4.390 1.00 0.00 C ATOM 442 CG PHE A 29 -3.646 -2.351 -4.000 1.00 0.00 C ATOM 443 CD1 PHE A 29 -2.307 -2.756 -4.194 1.00 0.00 C ATOM 444 CD2 PHE A 29 -3.913 -1.066 -3.460 1.00 0.00 C ATOM 445 CE1 PHE A 29 -1.245 -1.875 -3.894 1.00 0.00 C ATOM 446 CE2 PHE A 29 -2.852 -0.182 -3.176 1.00 0.00 C ATOM 447 CZ PHE A 29 -1.518 -0.584 -3.396 1.00 0.00 C ATOM 0 H PHE A 29 -4.150 -4.550 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.574 -5.272 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.842 -3.319 -5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.733 -2.791 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.094 -3.744 -4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.932 -0.764 -3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.223 -2.190 -4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.061 0.805 -2.789 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.706 0.096 -3.183 1.00 0.00 H new ATOM 457 N ALA A 30 -3.320 -5.879 -5.437 1.00 0.00 N ATOM 458 CA ALA A 30 -2.320 -6.849 -5.905 1.00 0.00 C ATOM 459 C ALA A 30 -1.705 -6.423 -7.256 1.00 0.00 C ATOM 460 O ALA A 30 -2.360 -6.553 -8.296 1.00 0.00 O ATOM 461 CB ALA A 30 -2.966 -8.240 -6.025 1.00 0.00 C ATOM 0 H ALA A 30 -3.961 -5.599 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.512 -6.885 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.223 -8.958 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.344 -8.551 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.790 -8.198 -6.737 1.00 0.00 H new ATOM 467 N VAL A 31 -0.448 -5.938 -7.256 1.00 0.00 N ATOM 468 CA VAL A 31 0.312 -5.549 -8.453 1.00 0.00 C ATOM 469 C VAL A 31 0.969 -6.793 -9.091 1.00 0.00 C ATOM 470 O VAL A 31 2.015 -7.250 -8.628 1.00 0.00 O ATOM 471 CB VAL A 31 1.373 -4.476 -8.092 1.00 0.00 C ATOM 472 CG1 VAL A 31 2.360 -4.227 -9.249 1.00 0.00 C ATOM 473 CG2 VAL A 31 0.739 -3.124 -7.716 1.00 0.00 C ATOM 0 H VAL A 31 0.080 -5.803 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.370 -5.113 -9.183 1.00 0.00 H new ATOM 0 HB VAL A 31 1.903 -4.882 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.085 -3.469 -8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.882 -5.154 -9.488 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.813 -3.882 -10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.525 -2.409 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.156 -2.749 -8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.087 -3.255 -6.852 1.00 0.00 H new ATOM 483 N ARG A 32 0.348 -7.336 -10.156 1.00 0.00 N ATOM 484 CA ARG A 32 0.628 -8.661 -10.727 1.00 0.00 C ATOM 485 C ARG A 32 2.093 -8.771 -11.203 1.00 0.00 C ATOM 486 O ARG A 32 2.602 -9.881 -11.383 1.00 0.00 O ATOM 487 CB ARG A 32 -0.358 -8.937 -11.881 1.00 0.00 C ATOM 488 CG ARG A 32 -1.794 -8.500 -11.551 1.00 0.00 C ATOM 489 CD ARG A 32 -2.823 -9.564 -11.957 1.00 0.00 C ATOM 490 NE ARG A 32 -2.404 -10.266 -13.180 1.00 0.00 N ATOM 491 CZ ARG A 32 -2.581 -9.830 -14.441 1.00 0.00 C ATOM 492 NH1 ARG A 32 -3.172 -8.652 -14.698 1.00 0.00 N ATOM 493 NH2 ARG A 32 -2.162 -10.588 -15.464 1.00 0.00 N ATOM 0 H ARG A 32 -0.390 -6.842 -10.659 1.00 0.00 H new ATOM 0 HA ARG A 32 0.490 -9.416 -9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.020 -8.414 -12.775 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.351 -10.002 -12.113 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.877 -8.304 -10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.016 -7.565 -12.065 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.948 -10.282 -11.146 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.793 -9.094 -12.118 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.937 -11.165 -13.062 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.498 -8.066 -13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.295 -8.343 -15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.714 -11.486 -15.283 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.291 -10.267 -16.423 1.00 0.00 H new ATOM 507 N THR A 33 2.764 -7.625 -11.426 1.00 0.00 N ATOM 508 CA THR A 33 4.025 -7.506 -12.174 1.00 0.00 C ATOM 509 C THR A 33 5.237 -7.743 -11.248 1.00 0.00 C ATOM 510 O THR A 33 6.305 -8.145 -11.716 1.00 0.00 O ATOM 511 CB THR A 33 4.100 -6.119 -12.858 1.00 0.00 C ATOM 512 OG1 THR A 33 5.362 -5.944 -13.477 1.00 0.00 O ATOM 513 CG2 THR A 33 3.887 -4.951 -11.880 1.00 0.00 C ATOM 0 H THR A 33 2.429 -6.727 -11.077 1.00 0.00 H new ATOM 0 HA THR A 33 4.052 -8.273 -12.948 1.00 0.00 H new ATOM 0 HB THR A 33 3.294 -6.104 -13.591 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.396 -5.064 -13.907 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.952 -4.007 -12.421 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.904 -5.038 -11.418 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.655 -4.979 -11.107 1.00 0.00 H new ATOM 521 N THR A 34 5.071 -7.499 -9.934 1.00 0.00 N ATOM 522 CA THR A 34 6.062 -7.763 -8.882 1.00 0.00 C ATOM 523 C THR A 34 5.729 -9.070 -8.128 1.00 0.00 C ATOM 524 O THR A 34 6.611 -9.674 -7.517 1.00 0.00 O ATOM 525 CB THR A 34 6.134 -6.560 -7.910 1.00 0.00 C ATOM 526 OG1 THR A 34 7.134 -6.778 -6.931 1.00 0.00 O ATOM 527 CG2 THR A 34 4.806 -6.295 -7.179 1.00 0.00 C ATOM 0 H THR A 34 4.209 -7.097 -9.566 1.00 0.00 H new ATOM 0 HA THR A 34 7.040 -7.892 -9.345 1.00 0.00 H new ATOM 0 HB THR A 34 6.367 -5.692 -8.526 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.396 -5.921 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.922 -5.440 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.025 -6.083 -7.909 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.530 -7.174 -6.597 1.00 0.00 H new ATOM 535 N GLY A 35 4.449 -9.486 -8.155 1.00 0.00 N ATOM 536 CA GLY A 35 3.856 -10.478 -7.242 1.00 0.00 C ATOM 537 C GLY A 35 3.868 -9.981 -5.781 1.00 0.00 C ATOM 538 O GLY A 35 4.348 -10.678 -4.887 1.00 0.00 O ATOM 0 H GLY A 35 3.778 -9.129 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.831 -10.688 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.408 -11.415 -7.313 1.00 0.00 H new ATOM 542 N ILE A 36 3.350 -8.755 -5.556 1.00 0.00 N ATOM 543 CA ILE A 36 3.174 -8.115 -4.245 1.00 0.00 C ATOM 544 C ILE A 36 1.696 -7.712 -4.050 1.00 0.00 C ATOM 545 O ILE A 36 0.984 -7.470 -5.027 1.00 0.00 O ATOM 546 CB ILE A 36 4.111 -6.880 -4.120 1.00 0.00 C ATOM 547 CG1 ILE A 36 5.610 -7.261 -4.191 1.00 0.00 C ATOM 548 CG2 ILE A 36 3.832 -6.113 -2.812 1.00 0.00 C ATOM 549 CD1 ILE A 36 6.560 -6.102 -3.858 1.00 0.00 C ATOM 0 H ILE A 36 3.030 -8.161 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 36 3.442 -8.823 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 36 3.893 -6.238 -4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.799 -8.083 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.835 -7.627 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.499 -5.253 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.797 -5.771 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.003 -6.772 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.592 -6.446 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.400 -5.286 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.364 -5.750 -2.845 1.00 0.00 H new ATOM 561 N PHE A 37 1.242 -7.621 -2.784 1.00 0.00 N ATOM 562 CA PHE A 37 -0.036 -7.018 -2.379 1.00 0.00 C ATOM 563 C PHE A 37 0.145 -6.098 -1.149 1.00 0.00 C ATOM 564 O PHE A 37 0.954 -6.382 -0.265 1.00 0.00 O ATOM 565 CB PHE A 37 -1.070 -8.121 -2.076 1.00 0.00 C ATOM 566 CG PHE A 37 -0.823 -8.920 -0.803 1.00 0.00 C ATOM 567 CD1 PHE A 37 0.399 -9.603 -0.614 1.00 0.00 C ATOM 568 CD2 PHE A 37 -1.829 -9.004 0.189 1.00 0.00 C ATOM 569 CE1 PHE A 37 0.586 -10.423 0.521 1.00 0.00 C ATOM 570 CE2 PHE A 37 -1.637 -9.813 1.328 1.00 0.00 C ATOM 571 CZ PHE A 37 -0.435 -10.535 1.487 1.00 0.00 C ATOM 0 H PHE A 37 1.776 -7.978 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.400 -6.406 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.056 -7.662 -2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.096 -8.812 -2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.192 -9.498 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.747 -8.447 0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.512 -10.964 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.410 -9.880 2.079 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.297 -11.173 2.348 1.00 0.00 H new ATOM 581 N CYS A 38 -0.608 -4.980 -1.116 1.00 0.00 N ATOM 582 CA CYS A 38 -0.607 -3.935 -0.085 1.00 0.00 C ATOM 583 C CYS A 38 -2.023 -3.706 0.494 1.00 0.00 C ATOM 584 O CYS A 38 -2.978 -4.373 0.098 1.00 0.00 O ATOM 585 CB CYS A 38 -0.059 -2.623 -0.691 1.00 0.00 C ATOM 586 SG CYS A 38 1.573 -2.825 -1.464 1.00 0.00 S ATOM 0 H CYS A 38 -1.275 -4.774 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 38 0.033 -4.260 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.764 -2.251 -1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.007 -1.867 0.092 1.00 0.00 H new ATOM 591 N ARG A 39 -2.147 -2.716 1.397 1.00 0.00 N ATOM 592 CA ARG A 39 -3.386 -2.011 1.752 1.00 0.00 C ATOM 593 C ARG A 39 -3.477 -0.686 0.948 1.00 0.00 C ATOM 594 O ARG A 39 -2.459 -0.264 0.382 1.00 0.00 O ATOM 595 CB ARG A 39 -3.395 -1.737 3.275 1.00 0.00 C ATOM 596 CG ARG A 39 -4.610 -2.351 3.984 1.00 0.00 C ATOM 597 CD ARG A 39 -4.386 -3.779 4.485 1.00 0.00 C ATOM 598 NE ARG A 39 -4.633 -3.842 5.933 1.00 0.00 N ATOM 599 CZ ARG A 39 -3.912 -4.527 6.837 1.00 0.00 C ATOM 600 NH1 ARG A 39 -2.846 -5.257 6.472 1.00 0.00 N ATOM 601 NH2 ARG A 39 -4.270 -4.476 8.129 1.00 0.00 N ATOM 0 H ARG A 39 -1.344 -2.371 1.923 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.252 -2.623 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.482 -2.137 3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.386 -0.660 3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.881 -1.719 4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.457 -2.347 3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.052 -4.466 3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.366 -4.095 4.266 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.431 -3.313 6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.569 -5.300 5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.313 -5.769 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.079 -3.923 8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.733 -4.990 8.828 1.00 0.00 H new ATOM 615 N PRO A 40 -4.653 -0.027 0.829 1.00 0.00 N ATOM 616 CA PRO A 40 -4.890 1.098 -0.092 1.00 0.00 C ATOM 617 C PRO A 40 -3.818 2.212 -0.068 1.00 0.00 C ATOM 618 O PRO A 40 -3.701 2.980 -1.024 1.00 0.00 O ATOM 619 CB PRO A 40 -6.281 1.654 0.273 1.00 0.00 C ATOM 620 CG PRO A 40 -6.551 1.102 1.672 1.00 0.00 C ATOM 621 CD PRO A 40 -5.863 -0.262 1.608 1.00 0.00 C ATOM 0 HA PRO A 40 -4.834 0.728 -1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.288 2.744 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.040 1.326 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.128 1.737 2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.618 1.013 1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.627 -0.634 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.502 -1.006 1.133 1.00 0.00 H new ATOM 629 N SER A 41 -3.065 2.310 1.042 1.00 0.00 N ATOM 630 CA SER A 41 -2.292 3.485 1.464 1.00 0.00 C ATOM 631 C SER A 41 -0.849 3.483 0.923 1.00 0.00 C ATOM 632 O SER A 41 0.016 4.163 1.507 1.00 0.00 O ATOM 633 CB SER A 41 -2.292 3.563 3.010 1.00 0.00 C ATOM 634 OG SER A 41 -1.954 4.859 3.461 1.00 0.00 O ATOM 0 H SER A 41 -2.977 1.534 1.698 1.00 0.00 H new ATOM 0 HA SER A 41 -2.773 4.367 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.276 3.289 3.390 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.583 2.840 3.412 1.00 0.00 H new ATOM 0 HG SER A 41 -1.159 5.175 2.983 1.00 0.00 H new ATOM 640 N CYS A 42 -0.532 2.726 -0.152 1.00 0.00 N ATOM 641 CA CYS A 42 0.857 2.369 -0.511 1.00 0.00 C ATOM 642 C CYS A 42 1.636 3.626 -0.964 1.00 0.00 C ATOM 643 O CYS A 42 1.509 4.062 -2.108 1.00 0.00 O ATOM 644 CB CYS A 42 0.885 1.263 -1.585 1.00 0.00 C ATOM 645 SG CYS A 42 2.528 0.474 -1.703 1.00 0.00 S ATOM 0 H CYS A 42 -1.230 2.347 -0.792 1.00 0.00 H new ATOM 0 HA CYS A 42 1.352 1.970 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.135 0.508 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.616 1.688 -2.552 1.00 0.00 H new ATOM 650 N ARG A 43 2.428 4.211 -0.041 1.00 0.00 N ATOM 651 CA ARG A 43 3.001 5.561 -0.121 1.00 0.00 C ATOM 652 C ARG A 43 3.990 5.679 -1.301 1.00 0.00 C ATOM 653 O ARG A 43 4.001 6.693 -2.002 1.00 0.00 O ATOM 654 CB ARG A 43 3.680 5.908 1.221 1.00 0.00 C ATOM 655 CG ARG A 43 5.200 5.677 1.194 1.00 0.00 C ATOM 656 CD ARG A 43 5.742 5.258 2.568 1.00 0.00 C ATOM 657 NE ARG A 43 5.441 6.277 3.585 1.00 0.00 N ATOM 658 CZ ARG A 43 6.336 6.873 4.396 1.00 0.00 C ATOM 659 NH1 ARG A 43 7.645 6.589 4.321 1.00 0.00 N ATOM 660 NH2 ARG A 43 5.910 7.769 5.298 1.00 0.00 N ATOM 0 H ARG A 43 2.694 3.729 0.817 1.00 0.00 H new ATOM 0 HA ARG A 43 2.201 6.277 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.479 6.951 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.239 5.304 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.437 4.906 0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.700 6.590 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.302 4.305 2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.820 5.107 2.507 1.00 0.00 H new ATOM 0 HE ARG A 43 4.466 6.558 3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.981 5.909 3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.304 7.053 4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.917 7.993 5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.579 8.227 5.917 1.00 0.00 H new ATOM 674 N ALA A 44 4.812 4.635 -1.524 1.00 0.00 N ATOM 675 CA ALA A 44 5.604 4.414 -2.742 1.00 0.00 C ATOM 676 C ALA A 44 4.795 4.776 -4.008 1.00 0.00 C ATOM 677 O ALA A 44 3.602 4.477 -4.087 1.00 0.00 O ATOM 678 CB ALA A 44 6.070 2.950 -2.801 1.00 0.00 C ATOM 0 H ALA A 44 4.945 3.897 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 44 6.477 5.066 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.657 2.791 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.683 2.728 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.201 2.292 -2.812 1.00 0.00 H new ATOM 684 N ARG A 45 5.445 5.437 -4.986 1.00 0.00 N ATOM 685 CA ARG A 45 4.872 5.813 -6.286 1.00 0.00 C ATOM 686 C ARG A 45 4.380 4.567 -7.054 1.00 0.00 C ATOM 687 O ARG A 45 5.085 4.048 -7.920 1.00 0.00 O ATOM 688 CB ARG A 45 5.919 6.605 -7.099 1.00 0.00 C ATOM 689 CG ARG A 45 6.147 8.023 -6.550 1.00 0.00 C ATOM 690 CD ARG A 45 7.408 8.104 -5.678 1.00 0.00 C ATOM 691 NE ARG A 45 8.606 7.747 -6.452 1.00 0.00 N ATOM 692 CZ ARG A 45 9.816 7.446 -5.944 1.00 0.00 C ATOM 693 NH1 ARG A 45 10.040 7.456 -4.620 1.00 0.00 N ATOM 694 NH2 ARG A 45 10.818 7.129 -6.775 1.00 0.00 N ATOM 0 H ARG A 45 6.416 5.732 -4.886 1.00 0.00 H new ATOM 0 HA ARG A 45 4.003 6.451 -6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.864 6.062 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.594 6.670 -8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.234 8.724 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.280 8.329 -5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.515 9.113 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.308 7.433 -4.825 1.00 0.00 H new ATOM 0 HE ARG A 45 8.512 7.725 -7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.285 7.695 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.965 7.225 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.660 7.117 -7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.738 6.899 -6.400 1.00 0.00 H new ATOM 708 N HIS A 46 3.167 4.078 -6.712 1.00 0.00 N ATOM 709 CA HIS A 46 2.667 2.743 -7.071 1.00 0.00 C ATOM 710 C HIS A 46 2.370 2.647 -8.585 1.00 0.00 C ATOM 711 O HIS A 46 1.824 3.582 -9.173 1.00 0.00 O ATOM 712 CB HIS A 46 1.426 2.359 -6.230 1.00 0.00 C ATOM 713 CG HIS A 46 0.553 3.505 -5.780 1.00 0.00 C ATOM 714 ND1 HIS A 46 0.216 4.554 -6.638 1.00 0.00 N ATOM 715 CD2 HIS A 46 -0.041 3.723 -4.562 1.00 0.00 C ATOM 716 CE1 HIS A 46 -0.567 5.355 -5.910 1.00 0.00 C ATOM 717 NE2 HIS A 46 -0.750 4.903 -4.659 1.00 0.00 N ATOM 0 H HIS A 46 2.496 4.618 -6.165 1.00 0.00 H new ATOM 0 HA HIS A 46 3.453 2.024 -6.840 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.815 1.670 -6.813 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.764 1.817 -5.347 1.00 0.00 H new ATOM 0 HD1 HIS A 46 0.505 4.681 -7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.033 3.089 -3.690 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.005 6.267 -6.287 1.00 0.00 H new ATOM 725 N ALA A 47 2.751 1.515 -9.210 1.00 0.00 N ATOM 726 CA ALA A 47 2.355 1.106 -10.565 1.00 0.00 C ATOM 727 C ALA A 47 0.829 1.230 -10.763 1.00 0.00 C ATOM 728 O ALA A 47 0.070 1.161 -9.795 1.00 0.00 O ATOM 729 CB ALA A 47 2.818 -0.336 -10.831 1.00 0.00 C ATOM 0 H ALA A 47 3.368 0.836 -8.763 1.00 0.00 H new ATOM 0 HA ALA A 47 2.836 1.773 -11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.522 -0.634 -11.837 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.903 -0.392 -10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.358 -1.006 -10.104 1.00 0.00 H new ATOM 735 N LEU A 48 0.387 1.435 -12.018 1.00 0.00 N ATOM 736 CA LEU A 48 -0.959 1.899 -12.384 1.00 0.00 C ATOM 737 C LEU A 48 -2.035 0.900 -11.901 1.00 0.00 C ATOM 738 O LEU A 48 -1.730 -0.261 -11.624 1.00 0.00 O ATOM 739 CB LEU A 48 -1.059 2.078 -13.914 1.00 0.00 C ATOM 740 CG LEU A 48 -0.057 3.074 -14.536 1.00 0.00 C ATOM 741 CD1 LEU A 48 -0.097 2.942 -16.067 1.00 0.00 C ATOM 742 CD2 LEU A 48 -0.367 4.529 -14.150 1.00 0.00 C ATOM 0 H LEU A 48 0.981 1.276 -12.832 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.134 2.858 -11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.917 1.106 -14.386 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.069 2.406 -14.158 1.00 0.00 H new ATOM 0 HG LEU A 48 0.933 2.831 -14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.609 3.644 -16.511 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.174 1.925 -16.352 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.102 3.163 -16.425 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.365 5.192 -14.612 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.366 4.793 -14.498 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.321 4.636 -13.066 1.00 0.00 H new ATOM 754 N ARG A 49 -3.295 1.371 -11.794 1.00 0.00 N ATOM 755 CA ARG A 49 -4.511 0.562 -11.633 1.00 0.00 C ATOM 756 C ARG A 49 -4.523 -0.633 -12.610 1.00 0.00 C ATOM 757 O ARG A 49 -5.027 -1.707 -12.278 1.00 0.00 O ATOM 758 CB ARG A 49 -5.749 1.463 -11.832 1.00 0.00 C ATOM 759 CG ARG A 49 -7.068 0.748 -11.501 1.00 0.00 C ATOM 760 CD ARG A 49 -7.550 -0.117 -12.674 1.00 0.00 C ATOM 761 NE ARG A 49 -8.746 0.466 -13.300 1.00 0.00 N ATOM 762 CZ ARG A 49 -9.130 0.292 -14.578 1.00 0.00 C ATOM 763 NH1 ARG A 49 -8.345 -0.344 -15.462 1.00 0.00 N ATOM 764 NH2 ARG A 49 -10.321 0.760 -14.977 1.00 0.00 N ATOM 0 H ARG A 49 -3.496 2.371 -11.819 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.532 0.146 -10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.653 2.348 -11.203 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.778 1.809 -12.865 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.932 0.123 -10.618 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.831 1.486 -11.255 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.755 -0.208 -13.414 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.774 -1.124 -12.321 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.337 1.055 -12.713 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.437 -0.707 -15.170 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.656 -0.465 -16.426 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.927 1.243 -14.314 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.621 0.633 -15.944 1.00 0.00 H new ATOM 778 N GLU A 50 -3.982 -0.431 -13.831 1.00 0.00 N ATOM 779 CA GLU A 50 -4.097 -1.337 -14.975 1.00 0.00 C ATOM 780 C GLU A 50 -3.313 -2.641 -14.754 1.00 0.00 C ATOM 781 O GLU A 50 -3.547 -3.639 -15.439 1.00 0.00 O ATOM 782 CB GLU A 50 -3.598 -0.614 -16.240 1.00 0.00 C ATOM 783 CG GLU A 50 -3.856 -1.441 -17.505 1.00 0.00 C ATOM 784 CD GLU A 50 -3.954 -0.612 -18.794 1.00 0.00 C ATOM 785 OE1 GLU A 50 -3.498 0.553 -18.786 1.00 0.00 O ATOM 786 OE2 GLU A 50 -4.492 -1.171 -19.776 1.00 0.00 O ATOM 0 H GLU A 50 -3.434 0.402 -14.046 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.145 -1.613 -15.094 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.097 0.351 -16.328 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.531 -0.414 -16.148 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.055 -2.171 -17.617 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.782 -2.001 -17.376 1.00 0.00 H new ATOM 793 N ASN A 51 -2.384 -2.642 -13.775 1.00 0.00 N ATOM 794 CA ASN A 51 -1.576 -3.790 -13.343 1.00 0.00 C ATOM 795 C ASN A 51 -2.080 -4.348 -11.993 1.00 0.00 C ATOM 796 O ASN A 51 -1.802 -5.499 -11.655 1.00 0.00 O ATOM 797 CB ASN A 51 -0.098 -3.368 -13.221 1.00 0.00 C ATOM 798 CG ASN A 51 0.648 -3.325 -14.567 1.00 0.00 C ATOM 799 OD1 ASN A 51 0.469 -4.183 -15.426 1.00 0.00 O ATOM 800 ND2 ASN A 51 1.483 -2.292 -14.740 1.00 0.00 N ATOM 0 H ASN A 51 -2.171 -1.799 -13.242 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.669 -4.578 -14.090 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.048 -2.383 -12.757 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.414 -4.061 -12.554 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.001 -2.196 -15.613 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.601 -1.602 -13.998 1.00 0.00 H new ATOM 807 N VAL A 52 -2.807 -3.520 -11.219 1.00 0.00 N ATOM 808 CA VAL A 52 -3.272 -3.804 -9.853 1.00 0.00 C ATOM 809 C VAL A 52 -4.721 -4.334 -9.884 1.00 0.00 C ATOM 810 O VAL A 52 -5.520 -3.905 -10.720 1.00 0.00 O ATOM 811 CB VAL A 52 -3.156 -2.529 -8.976 1.00 0.00 C ATOM 812 CG1 VAL A 52 -4.536 -1.938 -8.633 1.00 0.00 C ATOM 813 CG2 VAL A 52 -2.415 -2.789 -7.652 1.00 0.00 C ATOM 0 H VAL A 52 -3.097 -2.598 -11.544 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.642 -4.576 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.586 -1.822 -9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.408 -1.047 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.057 -1.672 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.122 -2.676 -8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.362 -1.864 -7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.952 -3.544 -7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.406 -3.143 -7.863 1.00 0.00 H new ATOM 823 N SER A 53 -5.062 -5.265 -8.971 1.00 0.00 N ATOM 824 CA SER A 53 -6.425 -5.750 -8.716 1.00 0.00 C ATOM 825 C SER A 53 -6.697 -5.934 -7.205 1.00 0.00 C ATOM 826 O SER A 53 -5.761 -6.079 -6.419 1.00 0.00 O ATOM 827 CB SER A 53 -6.664 -7.068 -9.477 1.00 0.00 C ATOM 828 OG SER A 53 -6.298 -8.190 -8.696 1.00 0.00 O ATOM 0 H SER A 53 -4.369 -5.713 -8.372 1.00 0.00 H new ATOM 0 HA SER A 53 -7.124 -4.996 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.715 -7.144 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.089 -7.064 -10.403 1.00 0.00 H new ATOM 0 HG SER A 53 -6.463 -9.011 -9.205 1.00 0.00 H new ATOM 834 N PHE A 54 -7.990 -5.899 -6.819 1.00 0.00 N ATOM 835 CA PHE A 54 -8.469 -5.656 -5.450 1.00 0.00 C ATOM 836 C PHE A 54 -9.135 -6.907 -4.830 1.00 0.00 C ATOM 837 O PHE A 54 -9.982 -7.557 -5.443 1.00 0.00 O ATOM 838 CB PHE A 54 -9.464 -4.477 -5.448 1.00 0.00 C ATOM 839 CG PHE A 54 -8.945 -3.201 -6.099 1.00 0.00 C ATOM 840 CD1 PHE A 54 -9.067 -3.015 -7.496 1.00 0.00 C ATOM 841 CD2 PHE A 54 -8.312 -2.212 -5.315 1.00 0.00 C ATOM 842 CE1 PHE A 54 -8.459 -1.904 -8.118 1.00 0.00 C ATOM 843 CE2 PHE A 54 -7.713 -1.093 -5.935 1.00 0.00 C ATOM 844 CZ PHE A 54 -7.780 -0.944 -7.336 1.00 0.00 C ATOM 0 H PHE A 54 -8.753 -6.045 -7.479 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.601 -5.413 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.373 -4.787 -5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.741 -4.255 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.626 -3.725 -8.087 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.286 -2.311 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.513 -1.788 -9.190 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.204 -0.352 -5.337 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.312 -0.095 -7.811 1.00 0.00 H new ATOM 854 N TYR A 55 -8.749 -7.231 -3.582 1.00 0.00 N ATOM 855 CA TYR A 55 -9.304 -8.242 -2.675 1.00 0.00 C ATOM 856 C TYR A 55 -10.091 -7.588 -1.514 1.00 0.00 C ATOM 857 O TYR A 55 -10.163 -6.366 -1.397 1.00 0.00 O ATOM 858 CB TYR A 55 -8.152 -9.097 -2.093 1.00 0.00 C ATOM 859 CG TYR A 55 -7.129 -9.564 -3.122 1.00 0.00 C ATOM 860 CD1 TYR A 55 -7.565 -10.363 -4.210 1.00 0.00 C ATOM 861 CD2 TYR A 55 -5.766 -9.201 -3.036 1.00 0.00 C ATOM 862 CE1 TYR A 55 -6.664 -10.725 -5.233 1.00 0.00 C ATOM 863 CE2 TYR A 55 -4.865 -9.564 -4.057 1.00 0.00 C ATOM 864 CZ TYR A 55 -5.309 -10.338 -5.156 1.00 0.00 C ATOM 865 OH TYR A 55 -4.433 -10.706 -6.134 1.00 0.00 O ATOM 0 H TYR A 55 -7.967 -6.743 -3.146 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.991 -8.868 -3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.638 -8.518 -1.326 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.578 -9.971 -1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.592 -10.696 -4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.413 -8.642 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.012 -11.300 -6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.833 -9.251 -4.001 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.910 -10.788 -6.986 1.00 0.00 H new ATOM 875 N ALA A 56 -10.666 -8.451 -0.640 1.00 0.00 N ATOM 876 CA ALA A 56 -11.239 -8.101 0.665 1.00 0.00 C ATOM 877 C ALA A 56 -10.144 -7.979 1.748 1.00 0.00 C ATOM 878 O ALA A 56 -10.241 -7.128 2.635 1.00 0.00 O ATOM 879 CB ALA A 56 -12.282 -9.154 1.074 1.00 0.00 C ATOM 0 H ALA A 56 -10.742 -9.448 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.724 -7.129 0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.705 -8.890 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.077 -9.188 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.805 -10.132 1.140 1.00 0.00 H new ATOM 885 N ASN A 57 -9.112 -8.843 1.685 1.00 0.00 N ATOM 886 CA ASN A 57 -8.014 -8.930 2.658 1.00 0.00 C ATOM 887 C ASN A 57 -6.793 -9.669 2.064 1.00 0.00 C ATOM 888 O ASN A 57 -6.821 -10.110 0.915 1.00 0.00 O ATOM 889 CB ASN A 57 -8.497 -9.659 3.930 1.00 0.00 C ATOM 890 CG ASN A 57 -8.826 -11.138 3.694 1.00 0.00 C ATOM 891 OD1 ASN A 57 -7.927 -11.971 3.595 1.00 0.00 O ATOM 892 ND2 ASN A 57 -10.116 -11.471 3.608 1.00 0.00 N ATOM 0 H ASN A 57 -9.020 -9.521 0.928 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.706 -7.915 2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.727 -9.583 4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.383 -9.154 4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.383 -12.444 3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.835 -10.753 3.695 1.00 0.00 H new ATOM 899 N ALA A 58 -5.723 -9.805 2.877 1.00 0.00 N ATOM 900 CA ALA A 58 -4.400 -10.308 2.485 1.00 0.00 C ATOM 901 C ALA A 58 -4.435 -11.822 2.188 1.00 0.00 C ATOM 902 O ALA A 58 -3.679 -12.303 1.341 1.00 0.00 O ATOM 903 CB ALA A 58 -3.383 -10.002 3.598 1.00 0.00 C ATOM 0 H ALA A 58 -5.765 -9.555 3.865 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.098 -9.803 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.401 -10.376 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.329 -8.925 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.697 -10.489 4.521 1.00 0.00 H new ATOM 909 N SER A 59 -5.298 -12.574 2.897 1.00 0.00 N ATOM 910 CA SER A 59 -5.468 -14.030 2.775 1.00 0.00 C ATOM 911 C SER A 59 -6.042 -14.417 1.395 1.00 0.00 C ATOM 912 O SER A 59 -5.731 -15.488 0.870 1.00 0.00 O ATOM 913 CB SER A 59 -6.352 -14.565 3.918 1.00 0.00 C ATOM 914 OG SER A 59 -6.014 -15.896 4.259 1.00 0.00 O ATOM 0 H SER A 59 -5.918 -12.166 3.596 1.00 0.00 H new ATOM 0 HA SER A 59 -4.485 -14.494 2.857 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.242 -13.925 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.400 -14.520 3.620 1.00 0.00 H new ATOM 0 HG SER A 59 -6.592 -16.204 4.988 1.00 0.00 H new ATOM 920 N GLU A 60 -6.877 -13.536 0.813 1.00 0.00 N ATOM 921 CA GLU A 60 -7.385 -13.604 -0.569 1.00 0.00 C ATOM 922 C GLU A 60 -6.232 -13.366 -1.569 1.00 0.00 C ATOM 923 O GLU A 60 -6.064 -14.100 -2.542 1.00 0.00 O ATOM 924 CB GLU A 60 -8.518 -12.574 -0.770 1.00 0.00 C ATOM 925 CG GLU A 60 -9.835 -13.224 -1.234 1.00 0.00 C ATOM 926 CD GLU A 60 -10.593 -12.417 -2.295 1.00 0.00 C ATOM 927 OE1 GLU A 60 -11.430 -11.570 -1.911 1.00 0.00 O ATOM 928 OE2 GLU A 60 -10.311 -12.664 -3.488 1.00 0.00 O ATOM 0 H GLU A 60 -7.231 -12.722 1.316 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.794 -14.597 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.690 -12.042 0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.204 -11.833 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.618 -14.215 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.483 -13.364 -0.369 1.00 0.00 H new ATOM 935 N ALA A 61 -5.416 -12.320 -1.290 1.00 0.00 N ATOM 936 CA ALA A 61 -4.205 -11.966 -2.040 1.00 0.00 C ATOM 937 C ALA A 61 -3.117 -13.053 -1.876 1.00 0.00 C ATOM 938 O ALA A 61 -2.262 -13.217 -2.747 1.00 0.00 O ATOM 939 CB ALA A 61 -3.680 -10.598 -1.573 1.00 0.00 C ATOM 0 H ALA A 61 -5.596 -11.686 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.458 -11.903 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.781 -10.342 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.443 -9.838 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.443 -10.643 -0.510 1.00 0.00 H new ATOM 945 N LEU A 62 -3.173 -13.805 -0.763 1.00 0.00 N ATOM 946 CA LEU A 62 -2.423 -15.048 -0.494 1.00 0.00 C ATOM 947 C LEU A 62 -2.923 -16.187 -1.408 1.00 0.00 C ATOM 948 O LEU A 62 -2.132 -16.977 -1.923 1.00 0.00 O ATOM 949 CB LEU A 62 -2.588 -15.439 0.993 1.00 0.00 C ATOM 950 CG LEU A 62 -1.454 -15.012 1.949 1.00 0.00 C ATOM 951 CD1 LEU A 62 -1.794 -15.478 3.374 1.00 0.00 C ATOM 952 CD2 LEU A 62 -0.093 -15.597 1.541 1.00 0.00 C ATOM 0 H LEU A 62 -3.777 -13.549 0.018 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.367 -14.880 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.521 -15.009 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.693 -16.522 1.051 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.375 -13.926 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.997 -15.179 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.732 -15.022 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.895 -16.563 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.671 -15.267 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.148 -16.686 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.165 -15.254 0.539 1.00 0.00 H new ATOM 964 N ALA A 63 -4.257 -16.248 -1.616 1.00 0.00 N ATOM 965 CA ALA A 63 -4.952 -17.170 -2.525 1.00 0.00 C ATOM 966 C ALA A 63 -4.537 -16.935 -3.994 1.00 0.00 C ATOM 967 O ALA A 63 -4.583 -17.863 -4.806 1.00 0.00 O ATOM 968 CB ALA A 63 -6.474 -17.015 -2.367 1.00 0.00 C ATOM 0 H ALA A 63 -4.903 -15.625 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.665 -18.188 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.982 -17.702 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.758 -17.242 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.762 -15.991 -2.605 1.00 0.00 H new ATOM 974 N ALA A 64 -4.146 -15.694 -4.339 1.00 0.00 N ATOM 975 CA ALA A 64 -3.539 -15.318 -5.625 1.00 0.00 C ATOM 976 C ALA A 64 -2.028 -15.636 -5.655 1.00 0.00 C ATOM 977 O ALA A 64 -1.399 -15.578 -6.712 1.00 0.00 O ATOM 978 CB ALA A 64 -3.779 -13.825 -5.897 1.00 0.00 C ATOM 0 H ALA A 64 -4.248 -14.900 -3.707 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.013 -15.908 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.327 -13.552 -6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.851 -13.630 -5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.329 -13.233 -5.100 1.00 0.00 H new ATOM 984 N GLY A 65 -1.451 -15.968 -4.483 1.00 0.00 N ATOM 985 CA GLY A 65 -0.073 -16.445 -4.312 1.00 0.00 C ATOM 986 C GLY A 65 0.955 -15.297 -4.403 1.00 0.00 C ATOM 987 O GLY A 65 1.983 -15.434 -5.069 1.00 0.00 O ATOM 0 H GLY A 65 -1.955 -15.907 -3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.021 -16.940 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.149 -17.191 -5.075 1.00 0.00 H new ATOM 991 N PHE A 66 0.670 -14.160 -3.737 1.00 0.00 N ATOM 992 CA PHE A 66 1.521 -12.963 -3.680 1.00 0.00 C ATOM 993 C PHE A 66 2.205 -12.836 -2.300 1.00 0.00 C ATOM 994 O PHE A 66 1.890 -13.593 -1.379 1.00 0.00 O ATOM 995 CB PHE A 66 0.682 -11.702 -3.976 1.00 0.00 C ATOM 996 CG PHE A 66 0.079 -11.614 -5.373 1.00 0.00 C ATOM 997 CD1 PHE A 66 -0.362 -12.785 -6.031 1.00 0.00 C ATOM 998 CD2 PHE A 66 -0.037 -10.363 -6.024 1.00 0.00 C ATOM 999 CE1 PHE A 66 -0.860 -12.712 -7.350 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -0.556 -10.289 -7.334 1.00 0.00 C ATOM 1001 CZ PHE A 66 -0.980 -11.463 -7.992 1.00 0.00 C ATOM 0 H PHE A 66 -0.193 -14.050 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 66 2.299 -13.060 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.128 -11.649 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.311 -10.826 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.318 -13.737 -5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.273 -9.462 -5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.149 -13.614 -7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.629 -9.334 -7.833 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.396 -11.405 -8.987 1.00 0.00 H new ATOM 1011 N ARG A 67 3.154 -11.888 -2.164 1.00 0.00 N ATOM 1012 CA ARG A 67 3.987 -11.669 -0.973 1.00 0.00 C ATOM 1013 C ARG A 67 3.752 -10.260 -0.370 1.00 0.00 C ATOM 1014 O ARG A 67 3.457 -9.329 -1.123 1.00 0.00 O ATOM 1015 CB ARG A 67 5.474 -11.855 -1.351 1.00 0.00 C ATOM 1016 CG ARG A 67 6.260 -12.599 -0.267 1.00 0.00 C ATOM 1017 CD ARG A 67 5.804 -14.047 -0.049 1.00 0.00 C ATOM 1018 NE ARG A 67 6.707 -14.958 -0.768 1.00 0.00 N ATOM 1019 CZ ARG A 67 7.800 -15.558 -0.270 1.00 0.00 C ATOM 1020 NH1 ARG A 67 8.182 -15.371 1.003 1.00 0.00 N ATOM 1021 NH2 ARG A 67 8.520 -16.357 -1.070 1.00 0.00 N ATOM 0 H ARG A 67 3.367 -11.229 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 67 3.709 -12.399 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.542 -12.406 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.928 -10.879 -1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.317 -12.598 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.168 -12.054 0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.803 -14.283 1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.782 -14.175 -0.405 1.00 0.00 H new ATOM 0 HE ARG A 67 6.480 -15.154 -1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.638 -14.762 1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.016 -15.838 1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.234 -16.500 -2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.354 -16.822 -0.710 1.00 0.00 H new ATOM 1035 N PRO A 68 3.834 -10.079 0.969 1.00 0.00 N ATOM 1036 CA PRO A 68 3.401 -8.869 1.692 1.00 0.00 C ATOM 1037 C PRO A 68 4.394 -7.687 1.639 1.00 0.00 C ATOM 1038 O PRO A 68 5.458 -7.742 2.260 1.00 0.00 O ATOM 1039 CB PRO A 68 3.136 -9.316 3.140 1.00 0.00 C ATOM 1040 CG PRO A 68 3.417 -10.819 3.176 1.00 0.00 C ATOM 1041 CD PRO A 68 4.302 -11.050 1.959 1.00 0.00 C ATOM 0 HA PRO A 68 2.512 -8.466 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.781 -8.782 3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.107 -9.104 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.920 -11.110 4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.497 -11.400 3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.354 -10.895 2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.207 -12.071 1.588 1.00 0.00 H new ATOM 1049 N CYS A 69 4.042 -6.619 0.898 1.00 0.00 N ATOM 1050 CA CYS A 69 4.850 -5.411 0.663 1.00 0.00 C ATOM 1051 C CYS A 69 5.543 -4.952 1.964 1.00 0.00 C ATOM 1052 O CYS A 69 5.026 -5.200 3.058 1.00 0.00 O ATOM 1053 CB CYS A 69 3.933 -4.325 0.058 1.00 0.00 C ATOM 1054 SG CYS A 69 4.723 -2.686 -0.094 1.00 0.00 S ATOM 0 H CYS A 69 3.140 -6.575 0.424 1.00 0.00 H new ATOM 0 HA CYS A 69 5.653 -5.619 -0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.603 -4.651 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.041 -4.231 0.677 1.00 0.00 H new ATOM 1059 N LYS A 70 6.718 -4.301 1.858 1.00 0.00 N ATOM 1060 CA LYS A 70 7.635 -4.016 2.971 1.00 0.00 C ATOM 1061 C LYS A 70 7.162 -2.789 3.782 1.00 0.00 C ATOM 1062 O LYS A 70 7.877 -2.331 4.679 1.00 0.00 O ATOM 1063 CB LYS A 70 9.065 -3.813 2.424 1.00 0.00 C ATOM 1064 CG LYS A 70 10.142 -4.361 3.377 1.00 0.00 C ATOM 1065 CD LYS A 70 11.230 -5.155 2.640 1.00 0.00 C ATOM 1066 CE LYS A 70 12.354 -5.532 3.617 1.00 0.00 C ATOM 1067 NZ LYS A 70 13.221 -4.383 3.931 1.00 0.00 N ATOM 0 H LYS A 70 7.063 -3.949 0.965 1.00 0.00 H new ATOM 0 HA LYS A 70 7.640 -4.867 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.154 -4.307 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.239 -2.750 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.603 -3.532 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.671 -5.002 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.801 -6.056 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.633 -4.561 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.919 -5.920 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.955 -6.333 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.050 -4.710 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.536 -3.934 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.690 -3.693 4.500 1.00 0.00 H new ATOM 1081 N ARG A 71 5.973 -2.246 3.462 1.00 0.00 N ATOM 1082 CA ARG A 71 5.477 -0.922 3.873 1.00 0.00 C ATOM 1083 C ARG A 71 4.055 -1.026 4.466 1.00 0.00 C ATOM 1084 O ARG A 71 3.769 -0.444 5.513 1.00 0.00 O ATOM 1085 CB ARG A 71 5.510 0.022 2.652 1.00 0.00 C ATOM 1086 CG ARG A 71 5.983 1.441 2.996 1.00 0.00 C ATOM 1087 CD ARG A 71 6.816 2.048 1.856 1.00 0.00 C ATOM 1088 NE ARG A 71 7.871 1.118 1.429 1.00 0.00 N ATOM 1089 CZ ARG A 71 8.062 0.642 0.186 1.00 0.00 C ATOM 1090 NH1 ARG A 71 7.361 1.105 -0.861 1.00 0.00 N ATOM 1091 NH2 ARG A 71 8.972 -0.324 -0.014 1.00 0.00 N ATOM 0 H ARG A 71 5.299 -2.745 2.881 1.00 0.00 H new ATOM 0 HA ARG A 71 6.119 -0.517 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.169 -0.399 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.513 0.075 2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.119 2.076 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.577 1.416 3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.168 2.283 1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.263 2.986 2.186 1.00 0.00 H new ATOM 0 HE ARG A 71 8.523 0.802 2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.663 1.836 -0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.526 0.726 -1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.510 -0.689 0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.126 -0.693 -0.952 1.00 0.00 H new ATOM 1105 N CYS A 72 3.162 -1.766 3.775 1.00 0.00 N ATOM 1106 CA CYS A 72 1.707 -1.779 3.976 1.00 0.00 C ATOM 1107 C CYS A 72 1.259 -3.052 4.726 1.00 0.00 C ATOM 1108 O CYS A 72 0.753 -2.964 5.847 1.00 0.00 O ATOM 1109 CB CYS A 72 1.007 -1.635 2.606 1.00 0.00 C ATOM 1110 SG CYS A 72 1.864 -0.425 1.552 1.00 0.00 S ATOM 0 H CYS A 72 3.454 -2.397 3.029 1.00 0.00 H new ATOM 0 HA CYS A 72 1.418 -0.936 4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.980 -2.603 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.027 -1.324 2.754 1.00 0.00 H new ATOM 1115 N GLN A 73 1.426 -4.232 4.100 1.00 0.00 N ATOM 1116 CA GLN A 73 0.791 -5.499 4.492 1.00 0.00 C ATOM 1117 C GLN A 73 1.191 -5.881 5.940 1.00 0.00 C ATOM 1118 O GLN A 73 0.299 -6.113 6.761 1.00 0.00 O ATOM 1119 CB GLN A 73 1.235 -6.580 3.484 1.00 0.00 C ATOM 1120 CG GLN A 73 0.068 -7.321 2.801 1.00 0.00 C ATOM 1121 CD GLN A 73 -1.195 -7.463 3.663 1.00 0.00 C ATOM 1122 OE1 GLN A 73 -1.158 -8.143 4.685 1.00 0.00 O ATOM 1123 NE2 GLN A 73 -2.312 -6.834 3.277 1.00 0.00 N ATOM 0 H GLN A 73 2.026 -4.330 3.281 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.295 -5.404 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.854 -6.114 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.861 -7.308 4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.192 -6.793 1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.407 -8.316 2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.314 -6.276 2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.161 -6.913 3.837 1.00 0.00 H new ATOM 1132 N PRO A 74 2.497 -5.928 6.295 1.00 0.00 N ATOM 1133 CA PRO A 74 2.991 -6.109 7.673 1.00 0.00 C ATOM 1134 C PRO A 74 3.153 -4.782 8.446 1.00 0.00 C ATOM 1135 O PRO A 74 2.983 -4.750 9.665 1.00 0.00 O ATOM 1136 CB PRO A 74 4.336 -6.835 7.510 1.00 0.00 C ATOM 1137 CG PRO A 74 4.889 -6.248 6.211 1.00 0.00 C ATOM 1138 CD PRO A 74 3.646 -5.872 5.399 1.00 0.00 C ATOM 0 HA PRO A 74 2.276 -6.674 8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.001 -6.647 8.353 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.206 -7.915 7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.515 -5.377 6.404 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.506 -6.972 5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.753 -4.873 4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.513 -6.559 4.563 1.00 0.00 H new ATOM 1146 N ASP A 75 3.508 -3.698 7.728 1.00 0.00 N ATOM 1147 CA ASP A 75 4.040 -2.438 8.266 1.00 0.00 C ATOM 1148 C ASP A 75 5.514 -2.595 8.697 1.00 0.00 C ATOM 1149 O ASP A 75 5.840 -2.413 9.872 1.00 0.00 O ATOM 1150 CB ASP A 75 3.149 -1.971 9.439 1.00 0.00 C ATOM 1151 CG ASP A 75 2.919 -0.456 9.462 1.00 0.00 C ATOM 1152 OD1 ASP A 75 2.780 0.122 8.361 1.00 0.00 O ATOM 1153 OD2 ASP A 75 2.892 0.103 10.580 1.00 0.00 O ATOM 0 H ASP A 75 3.427 -3.680 6.711 1.00 0.00 H new ATOM 0 HA ASP A 75 4.021 -1.676 7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.185 -2.477 9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.609 -2.276 10.379 1.00 0.00 H new ATOM 1158 N LYS A 76 6.402 -2.943 7.746 1.00 0.00 N ATOM 1159 CA LYS A 76 7.813 -3.286 7.978 1.00 0.00 C ATOM 1160 C LYS A 76 8.733 -2.222 7.342 1.00 0.00 C ATOM 1161 O LYS A 76 9.852 -2.534 6.931 1.00 0.00 O ATOM 1162 CB LYS A 76 8.102 -4.697 7.421 1.00 0.00 C ATOM 1163 CG LYS A 76 9.359 -5.344 8.033 1.00 0.00 C ATOM 1164 CD LYS A 76 9.531 -6.802 7.581 1.00 0.00 C ATOM 1165 CE LYS A 76 8.570 -7.722 8.349 1.00 0.00 C ATOM 1166 NZ LYS A 76 9.271 -8.524 9.367 1.00 0.00 N ATOM 0 H LYS A 76 6.144 -2.994 6.760 1.00 0.00 H new ATOM 0 HA LYS A 76 8.016 -3.296 9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.242 -5.339 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.222 -4.636 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.239 -4.769 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.294 -5.306 9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.342 -6.881 6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.560 -7.121 7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.798 -7.121 8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.066 -8.387 7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.587 -9.131 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.990 -9.117 8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.731 -7.891 10.052 1.00 0.00 H new ATOM 1180 N ALA A 77 8.263 -0.961 7.278 1.00 0.00 N ATOM 1181 CA ALA A 77 9.062 0.236 6.978 1.00 0.00 C ATOM 1182 C ALA A 77 9.733 0.794 8.252 1.00 0.00 C ATOM 1183 O ALA A 77 9.207 0.630 9.354 1.00 0.00 O ATOM 1184 CB ALA A 77 8.173 1.305 6.324 1.00 0.00 C ATOM 0 H ALA A 77 7.280 -0.744 7.440 1.00 0.00 H new ATOM 0 HA ALA A 77 9.854 -0.044 6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.770 2.190 6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.752 0.912 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.365 1.573 7.005 1.00 0.00 H new ATOM 1190 N ASN A 78 10.899 1.449 8.095 1.00 0.00 N ATOM 1191 CA ASN A 78 11.771 1.917 9.182 1.00 0.00 C ATOM 1192 C ASN A 78 11.218 3.218 9.816 1.00 0.00 C ATOM 1193 O ASN A 78 11.149 4.237 9.126 1.00 0.00 O ATOM 1194 CB ASN A 78 13.196 2.163 8.640 1.00 0.00 C ATOM 1195 CG ASN A 78 14.298 1.654 9.577 1.00 0.00 C ATOM 1196 OD1 ASN A 78 15.246 1.006 9.137 1.00 0.00 O ATOM 1197 ND2 ASN A 78 14.181 1.951 10.874 1.00 0.00 N ATOM 0 H ASN A 78 11.271 1.674 7.172 1.00 0.00 H new ATOM 0 HA ASN A 78 11.802 1.147 9.953 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.298 1.674 7.671 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.335 3.231 8.474 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.892 1.638 11.535 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.381 2.491 11.203 1.00 0.00 H new ATOM 1204 N PRO A 79 10.854 3.232 11.124 1.00 0.00 N ATOM 1205 CA PRO A 79 10.491 4.448 11.871 1.00 0.00 C ATOM 1206 C PRO A 79 11.496 5.601 11.648 1.00 0.00 C ATOM 1207 O PRO A 79 11.105 6.690 11.227 1.00 0.00 O ATOM 1208 CB PRO A 79 10.450 4.019 13.346 1.00 0.00 C ATOM 1209 CG PRO A 79 10.064 2.542 13.267 1.00 0.00 C ATOM 1210 CD PRO A 79 10.815 2.080 12.018 1.00 0.00 C ATOM 0 HA PRO A 79 9.533 4.843 11.532 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.415 4.158 13.833 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.720 4.597 13.914 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.374 1.992 14.156 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.987 2.407 13.168 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.822 1.747 12.269 1.00 0.00 H new ATOM 0 HD3 PRO A 79 10.308 1.238 11.547 1.00 0.00 H new ATOM 1218 N ARG A 80 12.790 5.344 11.913 1.00 0.00 N ATOM 1219 CA ARG A 80 13.968 6.114 11.479 1.00 0.00 C ATOM 1220 C ARG A 80 13.642 7.112 10.346 1.00 0.00 C ATOM 1221 O ARG A 80 13.335 8.277 10.597 1.00 0.00 O ATOM 1222 CB ARG A 80 15.069 5.123 11.032 1.00 0.00 C ATOM 1223 CG ARG A 80 16.294 5.830 10.435 1.00 0.00 C ATOM 1224 CD ARG A 80 17.595 5.365 11.102 1.00 0.00 C ATOM 1225 NE ARG A 80 17.473 5.391 12.567 1.00 0.00 N ATOM 1226 CZ ARG A 80 18.297 4.779 13.438 1.00 0.00 C ATOM 1227 NH1 ARG A 80 19.402 4.140 13.023 1.00 0.00 N ATOM 1228 NH2 ARG A 80 18.010 4.811 14.747 1.00 0.00 N ATOM 0 H ARG A 80 13.058 4.536 12.475 1.00 0.00 H new ATOM 0 HA ARG A 80 14.315 6.713 12.321 1.00 0.00 H new ATOM 0 HB2 ARG A 80 15.381 4.523 11.887 1.00 0.00 H new ATOM 0 HB3 ARG A 80 14.656 4.435 10.294 1.00 0.00 H new ATOM 0 HG2 ARG A 80 16.343 5.633 9.364 1.00 0.00 H new ATOM 0 HG3 ARG A 80 16.188 6.908 10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 80 17.837 4.355 10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.418 6.008 10.790 1.00 0.00 H new ATOM 0 HE ARG A 80 16.694 5.920 12.959 1.00 0.00 H new ATOM 0 HH11 ARG A 80 19.632 4.111 12.030 1.00 0.00 H new ATOM 0 HH12 ARG A 80 20.012 3.683 13.701 1.00 0.00 H new ATOM 0 HH21 ARG A 80 17.174 5.296 15.074 1.00 0.00 H new ATOM 0 HH22 ARG A 80 18.627 4.351 15.416 1.00 0.00 H new ATOM 1242 N GLN A 81 13.732 6.630 9.085 1.00 0.00 N ATOM 1243 CA GLN A 81 13.469 7.381 7.851 1.00 0.00 C ATOM 1244 C GLN A 81 14.604 8.388 7.563 1.00 0.00 C ATOM 1245 O GLN A 81 14.344 9.569 7.330 1.00 0.00 O ATOM 1246 CB GLN A 81 12.096 8.078 7.973 1.00 0.00 C ATOM 1247 CG GLN A 81 11.342 8.180 6.633 1.00 0.00 C ATOM 1248 CD GLN A 81 10.111 9.098 6.660 1.00 0.00 C ATOM 1249 OE1 GLN A 81 9.393 9.130 7.657 1.00 0.00 O ATOM 1250 NE2 GLN A 81 9.857 9.855 5.587 1.00 0.00 N ATOM 0 H GLN A 81 14.002 5.664 8.900 1.00 0.00 H new ATOM 0 HA GLN A 81 13.440 6.696 7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.481 7.531 8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.240 9.080 8.378 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.031 8.541 5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.027 7.181 6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.470 9.808 4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.050 10.479 5.583 1.00 0.00 H new ATOM 1259 N HIS A 82 15.863 7.906 7.563 1.00 0.00 N ATOM 1260 CA HIS A 82 17.047 8.583 7.019 1.00 0.00 C ATOM 1261 C HIS A 82 18.322 7.736 7.220 1.00 0.00 C ATOM 1262 O HIS A 82 18.608 7.304 8.338 1.00 0.00 O ATOM 1263 CB HIS A 82 17.202 9.990 7.649 1.00 0.00 C ATOM 1264 CG HIS A 82 17.225 11.105 6.632 1.00 0.00 C ATOM 1265 ND1 HIS A 82 17.870 10.954 5.402 1.00 0.00 N ATOM 1266 CD2 HIS A 82 16.691 12.366 6.700 1.00 0.00 C ATOM 1267 CE1 HIS A 82 17.707 12.128 4.786 1.00 0.00 C ATOM 1268 NE2 HIS A 82 17.009 13.008 5.522 1.00 0.00 N ATOM 0 H HIS A 82 16.087 6.994 7.961 1.00 0.00 H new ATOM 0 HA HIS A 82 16.905 8.703 5.945 1.00 0.00 H new ATOM 0 HB2 HIS A 82 16.381 10.160 8.345 1.00 0.00 H new ATOM 0 HB3 HIS A 82 18.124 10.020 8.230 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.127 12.779 7.523 1.00 0.00 H new ATOM 0 HE1 HIS A 82 18.095 12.346 3.802 1.00 0.00 H new ATOM 0 HE2 HIS A 82 16.763 13.963 5.261 1.00 0.00 H new ATOM 1276 N ARG A 83 19.103 7.525 6.142 1.00 0.00 N ATOM 1277 CA ARG A 83 20.511 7.099 6.195 1.00 0.00 C ATOM 1278 C ARG A 83 21.444 8.328 6.342 1.00 0.00 C ATOM 1279 O ARG A 83 22.351 8.545 5.541 1.00 0.00 O ATOM 1280 CB ARG A 83 20.849 6.265 4.943 1.00 0.00 C ATOM 1281 CG ARG A 83 19.725 5.288 4.561 1.00 0.00 C ATOM 1282 CD ARG A 83 20.240 3.846 4.465 1.00 0.00 C ATOM 1283 NE ARG A 83 19.229 2.895 4.950 1.00 0.00 N ATOM 1284 CZ ARG A 83 19.062 1.632 4.514 1.00 0.00 C ATOM 1285 NH1 ARG A 83 19.876 1.098 3.591 1.00 0.00 N ATOM 1286 NH2 ARG A 83 18.064 0.892 5.016 1.00 0.00 N ATOM 0 H ARG A 83 18.762 7.650 5.189 1.00 0.00 H new ATOM 0 HA ARG A 83 20.668 6.469 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 83 21.042 6.936 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 83 21.767 5.705 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 83 18.928 5.342 5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.293 5.585 3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 83 20.496 3.615 3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 83 21.154 3.742 5.050 1.00 0.00 H new ATOM 0 HE ARG A 83 18.598 3.221 5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 83 20.641 1.651 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.730 0.139 3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.441 1.287 5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.927 -0.066 4.694 1.00 0.00 H new ATOM 1300 N LEU A 84 21.173 9.140 7.386 1.00 0.00 N ATOM 1301 CA LEU A 84 21.632 10.522 7.580 1.00 0.00 C ATOM 1302 C LEU A 84 23.064 10.740 7.048 1.00 0.00 C ATOM 1303 O LEU A 84 24.016 10.151 7.565 1.00 0.00 O ATOM 1304 CB LEU A 84 21.575 10.887 9.083 1.00 0.00 C ATOM 1305 CG LEU A 84 21.509 12.396 9.400 1.00 0.00 C ATOM 1306 CD1 LEU A 84 21.474 12.585 10.925 1.00 0.00 C ATOM 1307 CD2 LEU A 84 22.709 13.168 8.827 1.00 0.00 C ATOM 0 H LEU A 84 20.591 8.823 8.161 1.00 0.00 H new ATOM 0 HA LEU A 84 20.966 11.171 7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.703 10.403 9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 84 22.454 10.469 9.574 1.00 0.00 H new ATOM 0 HG LEU A 84 20.607 12.793 8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 84 21.427 13.649 11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 84 20.596 12.085 11.334 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.374 12.156 11.366 1.00 0.00 H new ATOM 0 HD21 LEU A 84 22.615 14.225 9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 84 23.632 12.775 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 84 22.732 13.053 7.743 1.00 0.00 H new ATOM 1319 N ASP A 85 23.214 11.578 6.003 1.00 0.00 N ATOM 1320 CA ASP A 85 24.484 11.883 5.328 1.00 0.00 C ATOM 1321 C ASP A 85 25.420 12.702 6.242 1.00 0.00 C ATOM 1322 O ASP A 85 26.458 12.202 6.678 1.00 0.00 O ATOM 1323 CB ASP A 85 24.186 12.625 4.005 1.00 0.00 C ATOM 1324 CG ASP A 85 24.968 12.073 2.808 1.00 0.00 C ATOM 1325 OD1 ASP A 85 24.500 11.067 2.232 1.00 0.00 O ATOM 1326 OD2 ASP A 85 26.027 12.661 2.491 1.00 0.00 O ATOM 0 H ASP A 85 22.424 12.077 5.594 1.00 0.00 H new ATOM 0 HA ASP A 85 25.005 10.953 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 85 23.119 12.560 3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.423 13.682 4.128 1.00 0.00 H new ATOM 1331 N LYS A 86 25.054 13.970 6.514 1.00 0.00 N ATOM 1332 CA LYS A 86 25.691 14.855 7.500 1.00 0.00 C ATOM 1333 C LYS A 86 26.088 14.062 8.764 1.00 0.00 C ATOM 1334 O LYS A 86 25.493 13.025 9.059 1.00 0.00 O ATOM 1335 CB LYS A 86 24.742 16.025 7.838 1.00 0.00 C ATOM 1336 CG LYS A 86 24.986 17.256 6.948 1.00 0.00 C ATOM 1337 CD LYS A 86 25.584 16.886 5.584 1.00 0.00 C ATOM 1338 CE LYS A 86 25.226 17.962 4.548 1.00 0.00 C ATOM 1339 NZ LYS A 86 26.202 18.012 3.445 1.00 0.00 N ATOM 0 H LYS A 86 24.276 14.420 6.032 1.00 0.00 H new ATOM 0 HA LYS A 86 26.606 15.269 7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 86 23.709 15.696 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 86 24.873 16.305 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 86 24.044 17.784 6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 86 25.658 17.944 7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 86 26.667 16.793 5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 86 25.204 15.917 5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 86 24.233 17.761 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 86 25.181 18.935 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 25.923 18.751 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 27.145 18.229 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 26.227 17.092 2.962 1.00 0.00 H new ATOM 1353 N ILE A 87 27.085 14.565 9.517 1.00 0.00 N ATOM 1354 CA ILE A 87 27.486 14.073 10.843 1.00 0.00 C ATOM 1355 C ILE A 87 26.273 14.149 11.794 1.00 0.00 C ATOM 1356 O ILE A 87 25.698 15.225 11.979 1.00 0.00 O ATOM 1357 CB ILE A 87 28.685 14.891 11.397 1.00 0.00 C ATOM 1358 CG1 ILE A 87 30.048 14.309 10.955 1.00 0.00 C ATOM 1359 CG2 ILE A 87 28.620 14.966 12.936 1.00 0.00 C ATOM 1360 CD1 ILE A 87 30.656 13.311 11.953 1.00 0.00 C ATOM 0 H ILE A 87 27.652 15.353 9.205 1.00 0.00 H new ATOM 0 HA ILE A 87 27.813 13.036 10.762 1.00 0.00 H new ATOM 0 HB ILE A 87 28.606 15.895 10.979 1.00 0.00 H new ATOM 0 HG12 ILE A 87 29.925 13.814 9.992 1.00 0.00 H new ATOM 0 HG13 ILE A 87 30.750 15.129 10.804 1.00 0.00 H new ATOM 0 HG21 ILE A 87 29.467 15.542 13.308 1.00 0.00 H new ATOM 0 HG22 ILE A 87 27.691 15.450 13.238 1.00 0.00 H new ATOM 0 HG23 ILE A 87 28.656 13.959 13.351 1.00 0.00 H new ATOM 0 HD11 ILE A 87 31.610 12.949 11.570 1.00 0.00 H new ATOM 0 HD12 ILE A 87 30.814 13.805 12.912 1.00 0.00 H new ATOM 0 HD13 ILE A 87 29.976 12.470 12.086 1.00 0.00 H new ATOM 1372 N THR A 88 25.879 13.008 12.392 1.00 0.00 N ATOM 1373 CA THR A 88 24.675 12.846 13.218 1.00 0.00 C ATOM 1374 C THR A 88 24.845 13.597 14.556 1.00 0.00 C ATOM 1375 O THR A 88 24.407 14.741 14.687 1.00 0.00 O ATOM 1376 CB THR A 88 24.387 11.342 13.439 1.00 0.00 C ATOM 1377 OG1 THR A 88 23.958 10.745 12.229 1.00 0.00 O ATOM 1378 CG2 THR A 88 23.308 11.087 14.506 1.00 0.00 C ATOM 0 H THR A 88 26.413 12.143 12.307 1.00 0.00 H new ATOM 0 HA THR A 88 23.818 13.279 12.702 1.00 0.00 H new ATOM 0 HB THR A 88 25.322 10.902 13.786 1.00 0.00 H new ATOM 0 HG1 THR A 88 23.780 9.793 12.379 1.00 0.00 H new ATOM 0 HG21 THR A 88 23.151 10.014 14.615 1.00 0.00 H new ATOM 0 HG22 THR A 88 23.633 11.505 15.459 1.00 0.00 H new ATOM 0 HG23 THR A 88 22.375 11.561 14.201 1.00 0.00 H new ATOM 1386 N HIS A 89 25.495 12.952 15.544 1.00 0.00 N ATOM 1387 CA HIS A 89 25.985 13.564 16.787 1.00 0.00 C ATOM 1388 C HIS A 89 24.832 13.819 17.782 1.00 0.00 C ATOM 1389 O HIS A 89 23.825 14.429 17.422 1.00 0.00 O ATOM 1390 CB HIS A 89 26.763 14.866 16.474 1.00 0.00 C ATOM 1391 CG HIS A 89 26.058 16.113 16.951 1.00 0.00 C ATOM 1392 ND1 HIS A 89 25.383 16.952 16.062 1.00 0.00 N ATOM 1393 CD2 HIS A 89 25.957 16.633 18.215 1.00 0.00 C ATOM 1394 CE1 HIS A 89 24.898 17.936 16.823 1.00 0.00 C ATOM 1395 NE2 HIS A 89 25.213 17.791 18.121 1.00 0.00 N ATOM 0 H HIS A 89 25.699 11.954 15.493 1.00 0.00 H new ATOM 0 HA HIS A 89 26.670 12.865 17.266 1.00 0.00 H new ATOM 0 HB2 HIS A 89 27.747 14.813 16.939 1.00 0.00 H new ATOM 0 HB3 HIS A 89 26.922 14.936 15.398 1.00 0.00 H new ATOM 0 HD1 HIS A 89 25.283 16.838 15.053 1.00 0.00 H new ATOM 0 HD2 HIS A 89 26.381 16.215 19.116 1.00 0.00 H new ATOM 0 HE1 HIS A 89 24.315 18.759 16.437 1.00 0.00 H new ATOM 1403 N ALA A 90 24.994 13.363 19.039 1.00 0.00 N ATOM 1404 CA ALA A 90 24.099 13.644 20.172 1.00 0.00 C ATOM 1405 C ALA A 90 22.660 13.178 19.860 1.00 0.00 C ATOM 1406 O ALA A 90 21.890 13.912 19.238 1.00 0.00 O ATOM 1407 CB ALA A 90 24.112 15.146 20.500 1.00 0.00 C ATOM 0 H ALA A 90 25.780 12.768 19.300 1.00 0.00 H new ATOM 0 HA ALA A 90 24.459 13.091 21.039 1.00 0.00 H new ATOM 0 HB1 ALA A 90 23.446 15.341 21.340 1.00 0.00 H new ATOM 0 HB2 ALA A 90 25.125 15.453 20.761 1.00 0.00 H new ATOM 0 HB3 ALA A 90 23.775 15.711 19.631 1.00 0.00 H new ATOM 1413 N CYS A 91 22.298 11.959 20.306 1.00 0.00 N ATOM 1414 CA CYS A 91 20.934 11.414 20.294 1.00 0.00 C ATOM 1415 C CYS A 91 20.035 12.192 21.280 1.00 0.00 C ATOM 1416 O CYS A 91 19.861 11.773 22.425 1.00 0.00 O ATOM 1417 CB CYS A 91 20.973 9.910 20.633 1.00 0.00 C ATOM 1418 SG CYS A 91 19.905 8.944 19.522 1.00 0.00 S ATOM 0 H CYS A 91 22.976 11.306 20.698 1.00 0.00 H new ATOM 0 HA CYS A 91 20.507 11.530 19.298 1.00 0.00 H new ATOM 0 HB2 CYS A 91 21.998 9.547 20.560 1.00 0.00 H new ATOM 0 HB3 CYS A 91 20.655 9.761 21.665 1.00 0.00 H new ATOM 0 HG CYS A 91 19.971 7.686 19.842 1.00 0.00 H new ATOM 1424 N ARG A 92 19.473 13.331 20.831 1.00 0.00 N ATOM 1425 CA ARG A 92 18.702 14.283 21.643 1.00 0.00 C ATOM 1426 C ARG A 92 17.225 13.859 21.696 1.00 0.00 C ATOM 1427 O ARG A 92 16.916 12.681 21.523 1.00 0.00 O ATOM 1428 CB ARG A 92 18.862 15.717 21.064 1.00 0.00 C ATOM 1429 CG ARG A 92 17.952 16.054 19.850 1.00 0.00 C ATOM 1430 CD ARG A 92 18.670 16.937 18.815 1.00 0.00 C ATOM 1431 NE ARG A 92 17.974 16.835 17.498 1.00 0.00 N ATOM 1432 CZ ARG A 92 18.273 15.966 16.537 1.00 0.00 C ATOM 1433 NH1 ARG A 92 19.233 15.089 16.629 1.00 0.00 N ATOM 1434 NH2 ARG A 92 17.572 15.991 15.448 1.00 0.00 N ATOM 1435 OXT ARG A 92 16.211 14.835 21.947 1.00 0.00 O ATOM 0 H ARG A 92 19.548 13.621 19.856 1.00 0.00 H new ATOM 0 HA ARG A 92 19.084 14.284 22.664 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.659 16.435 21.858 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.901 15.856 20.766 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.627 15.129 19.373 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.055 16.564 20.201 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.681 17.974 19.152 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.709 16.624 18.713 1.00 0.00 H new ATOM 0 HE ARG A 92 17.207 17.484 17.321 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.803 15.044 17.474 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.414 14.448 15.856 1.00 0.00 H new ATOM 0 HH21 ARG A 92 16.814 16.665 15.345 1.00 0.00 H new ATOM 0 HH22 ARG A 92 17.778 15.336 14.694 1.00 0.00 H new TER 1449 ARG A 92 HETATM 1450 ZN ZN A 93 2.886 -1.229 -0.283 1.00 0.00 ZN