USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 839 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 72:sc= 0.0535 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.354 USER MOD Single : A 37 LYS NZ :NH3+ -110:sc= -0.761 (180deg=-4.5!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -4.87! C(o=-4.9!,f=-2.2!) USER MOD Single : A 48 GLN : amide:sc=-0.00624 X(o=-0.0062,f=-0.04) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc=-0.000782 (180deg=-0.271) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.497 K(o=-0.5,f=-1) USER MOD Single : A 75 ASN : amide:sc= -3.92! C(o=-3.9!,f=-6.9!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= -0.358 (180deg=-0.447) USER MOD Single : A 97 HIS : no HD1:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 99 MET CE :methyl -162:sc= -0.0325 (180deg=-0.387) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot -167:sc= 0.226 USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= -0.0407 (180deg=-0.491) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 -19.414 -18.917 3.727 1.00 0.00 N ATOM 2 CA LYS A 15 -18.320 -19.183 2.749 1.00 0.00 C ATOM 3 C LYS A 15 -18.824 -18.927 1.327 1.00 0.00 C ATOM 4 O LYS A 15 -18.685 -17.818 0.807 1.00 0.00 O ATOM 5 CB LYS A 15 -17.836 -20.626 2.929 1.00 0.00 C ATOM 6 CG LYS A 15 -16.642 -20.925 2.015 1.00 0.00 C ATOM 7 CD LYS A 15 -16.146 -22.351 2.277 1.00 0.00 C ATOM 8 CE LYS A 15 -14.937 -22.642 1.391 1.00 0.00 C ATOM 9 NZ LYS A 15 -14.457 -24.019 1.683 1.00 0.00 N ATOM 0 HA LYS A 15 -17.479 -18.512 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.553 -20.791 3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.650 -21.316 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.933 -20.815 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.841 -20.210 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.877 -22.466 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.941 -23.067 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.208 -22.551 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.145 -21.917 1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.632 -24.233 1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.187 -24.087 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.216 -24.701 1.482 1.00 0.00 H new ATOM 23 N GLU A 16 -19.550 -19.896 0.764 1.00 0.00 N ATOM 24 CA GLU A 16 -20.040 -19.757 -0.601 1.00 0.00 C ATOM 25 C GLU A 16 -21.074 -18.635 -0.697 1.00 0.00 C ATOM 26 O GLU A 16 -21.140 -17.920 -1.697 1.00 0.00 O ATOM 27 CB GLU A 16 -20.650 -21.081 -1.077 1.00 0.00 C ATOM 28 CG GLU A 16 -19.576 -22.177 -1.168 1.00 0.00 C ATOM 29 CD GLU A 16 -18.486 -21.839 -2.189 1.00 0.00 C ATOM 30 OE1 GLU A 16 -18.726 -21.019 -3.062 1.00 0.00 O ATOM 31 OE2 GLU A 16 -17.353 -22.221 -1.934 1.00 0.00 O ATOM 0 H GLU A 16 -19.806 -20.769 1.226 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.198 -19.500 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.436 -21.392 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.117 -20.941 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.121 -22.319 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.046 -23.122 -1.441 1.00 0.00 H new ATOM 38 N ARG A 17 -21.891 -18.516 0.344 1.00 0.00 N ATOM 39 CA ARG A 17 -22.918 -17.477 0.424 1.00 0.00 C ATOM 40 C ARG A 17 -22.318 -16.066 0.410 1.00 0.00 C ATOM 41 O ARG A 17 -22.843 -15.194 -0.288 1.00 0.00 O ATOM 42 CB ARG A 17 -23.729 -17.677 1.712 1.00 0.00 C ATOM 43 CG ARG A 17 -24.869 -16.650 1.797 1.00 0.00 C ATOM 44 CD ARG A 17 -25.663 -16.833 3.091 1.00 0.00 C ATOM 45 NE ARG A 17 -26.825 -15.952 3.092 1.00 0.00 N ATOM 46 CZ ARG A 17 -27.488 -15.694 4.211 1.00 0.00 C ATOM 47 NH1 ARG A 17 -27.110 -16.263 5.330 1.00 0.00 N ATOM 48 NH2 ARG A 17 -28.537 -14.914 4.170 1.00 0.00 N ATOM 0 H ARG A 17 -21.862 -19.134 1.155 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.558 -17.567 -0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -24.139 -18.687 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.076 -17.576 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.460 -15.640 1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.531 -16.762 0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -25.983 -17.871 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -25.029 -16.614 3.950 1.00 0.00 H new ATOM 0 HE ARG A 17 -27.133 -15.527 2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -26.312 -16.898 5.335 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -27.614 -16.070 6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -28.838 -14.510 3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -29.054 -14.709 5.025 1.00 0.00 H new ATOM 62 N ILE A 18 -21.242 -15.827 1.171 1.00 0.00 N ATOM 63 CA ILE A 18 -20.679 -14.470 1.282 1.00 0.00 C ATOM 64 C ILE A 18 -20.064 -14.050 -0.059 1.00 0.00 C ATOM 65 O ILE A 18 -20.149 -12.888 -0.471 1.00 0.00 O ATOM 66 CB ILE A 18 -19.649 -14.323 2.423 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.368 -12.845 2.722 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.306 -14.982 2.080 1.00 0.00 C ATOM 69 CD1 ILE A 18 -20.541 -12.194 3.460 1.00 0.00 C ATOM 0 H ILE A 18 -20.750 -16.539 1.711 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.505 -13.805 1.536 1.00 0.00 H new ATOM 0 HB ILE A 18 -20.090 -14.818 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -18.464 -12.759 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -19.181 -12.312 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -17.614 -14.853 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.459 -16.046 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -17.890 -14.516 1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -20.311 -11.147 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -21.439 -12.259 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -20.710 -12.712 4.404 1.00 0.00 H new ATOM 81 N ASP A 19 -19.408 -15.017 -0.700 1.00 0.00 N ATOM 82 CA ASP A 19 -18.737 -14.802 -1.987 1.00 0.00 C ATOM 83 C ASP A 19 -19.733 -14.390 -3.066 1.00 0.00 C ATOM 84 O ASP A 19 -19.471 -13.449 -3.800 1.00 0.00 O ATOM 85 CB ASP A 19 -18.001 -16.083 -2.382 1.00 0.00 C ATOM 86 CG ASP A 19 -16.622 -16.221 -1.725 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.150 -15.281 -1.117 1.00 0.00 O ATOM 88 OD2 ASP A 19 -16.011 -17.243 -1.948 1.00 0.00 O ATOM 0 H ASP A 19 -19.325 -15.970 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.020 -13.988 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.613 -16.943 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.883 -16.106 -3.465 1.00 0.00 H new ATOM 93 N ILE A 20 -20.904 -15.002 -3.037 1.00 0.00 N ATOM 94 CA ILE A 20 -21.979 -14.667 -3.985 1.00 0.00 C ATOM 95 C ILE A 20 -22.471 -13.243 -3.771 1.00 0.00 C ATOM 96 O ILE A 20 -22.582 -12.472 -4.716 1.00 0.00 O ATOM 97 CB ILE A 20 -23.159 -15.654 -3.861 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.738 -17.051 -4.328 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.369 -15.144 -4.644 1.00 0.00 C ATOM 100 CD1 ILE A 20 -22.381 -17.097 -5.819 1.00 0.00 C ATOM 0 H ILE A 20 -21.145 -15.736 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.564 -14.747 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.449 -15.726 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -21.879 -17.381 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -23.547 -17.754 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.191 -15.853 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.675 -14.175 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.104 -15.040 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -22.091 -18.111 -6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -23.246 -16.796 -6.410 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -21.552 -16.417 -6.016 1.00 0.00 H new ATOM 112 N LEU A 21 -22.635 -12.868 -2.499 1.00 0.00 N ATOM 113 CA LEU A 21 -23.088 -11.519 -2.144 1.00 0.00 C ATOM 114 C LEU A 21 -22.061 -10.490 -2.598 1.00 0.00 C ATOM 115 O LEU A 21 -22.427 -9.364 -2.958 1.00 0.00 O ATOM 116 CB LEU A 21 -23.308 -11.407 -0.630 1.00 0.00 C ATOM 117 CG LEU A 21 -24.539 -12.231 -0.233 1.00 0.00 C ATOM 118 CD1 LEU A 21 -24.607 -12.342 1.293 1.00 0.00 C ATOM 119 CD2 LEU A 21 -25.810 -11.563 -0.768 1.00 0.00 C ATOM 0 H LEU A 21 -22.462 -13.477 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.035 -11.326 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.428 -11.766 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.448 -10.364 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 21 -24.460 -13.229 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -25.482 -12.927 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -23.707 -12.833 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.681 -11.345 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -26.680 -12.154 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.899 -10.561 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -25.757 -11.498 -1.855 1.00 0.00 H new ATOM 131 N PHE A 22 -20.787 -10.822 -2.439 1.00 0.00 N ATOM 132 CA PHE A 22 -19.721 -9.939 -2.901 1.00 0.00 C ATOM 133 C PHE A 22 -19.831 -9.703 -4.408 1.00 0.00 C ATOM 134 O PHE A 22 -19.651 -8.572 -4.860 1.00 0.00 O ATOM 135 CB PHE A 22 -18.352 -10.547 -2.572 1.00 0.00 C ATOM 136 CG PHE A 22 -17.235 -9.662 -3.080 1.00 0.00 C ATOM 137 CD1 PHE A 22 -16.766 -8.567 -2.328 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.524 -10.060 -4.223 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.715 -7.791 -2.833 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.560 -9.216 -4.774 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.292 -7.996 -4.151 1.00 0.00 C ATOM 0 H PHE A 22 -20.467 -11.685 -1.999 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.823 -8.983 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.257 -10.678 -1.494 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.271 -11.537 -3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.212 -8.329 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.723 -11.020 -4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.238 -7.045 -2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.029 -9.502 -5.670 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.763 -7.218 -4.681 1.00 0.00 H new ATOM 151 N SER A 23 -20.035 -10.768 -5.187 1.00 0.00 N ATOM 152 CA SER A 23 -20.186 -10.646 -6.637 1.00 0.00 C ATOM 153 C SER A 23 -21.387 -9.781 -7.001 1.00 0.00 C ATOM 154 O SER A 23 -21.337 -9.001 -7.951 1.00 0.00 O ATOM 155 CB SER A 23 -20.367 -12.034 -7.252 1.00 0.00 C ATOM 156 OG SER A 23 -19.217 -12.814 -6.974 1.00 0.00 O ATOM 0 H SER A 23 -20.099 -11.724 -4.837 1.00 0.00 H new ATOM 0 HA SER A 23 -19.286 -10.171 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 23 -21.256 -12.514 -6.843 1.00 0.00 H new ATOM 0 HB3 SER A 23 -20.516 -11.953 -8.329 1.00 0.00 H new ATOM 0 HG SER A 23 -19.207 -13.055 -6.024 1.00 0.00 H new ATOM 162 N LEU A 24 -22.485 -10.012 -6.287 1.00 0.00 N ATOM 163 CA LEU A 24 -23.700 -9.223 -6.466 1.00 0.00 C ATOM 164 C LEU A 24 -23.472 -7.761 -6.102 1.00 0.00 C ATOM 165 O LEU A 24 -23.920 -6.867 -6.816 1.00 0.00 O ATOM 166 CB LEU A 24 -24.828 -9.783 -5.595 1.00 0.00 C ATOM 167 CG LEU A 24 -25.300 -11.145 -6.123 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.216 -11.806 -5.088 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.053 -10.980 -7.448 1.00 0.00 C ATOM 0 H LEU A 24 -22.558 -10.741 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.977 -9.283 -7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.482 -9.887 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.664 -9.084 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.427 -11.774 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.551 -12.773 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.669 -11.948 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.081 -11.168 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.379 -11.957 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -26.923 -10.341 -7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.394 -10.525 -8.187 1.00 0.00 H new ATOM 181 N ALA A 25 -22.754 -7.533 -5.001 1.00 0.00 N ATOM 182 CA ALA A 25 -22.496 -6.171 -4.546 1.00 0.00 C ATOM 183 C ALA A 25 -21.653 -5.433 -5.581 1.00 0.00 C ATOM 184 O ALA A 25 -21.673 -4.203 -5.638 1.00 0.00 O ATOM 185 CB ALA A 25 -21.766 -6.191 -3.202 1.00 0.00 C ATOM 0 H ALA A 25 -22.347 -8.264 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.448 -5.655 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.580 -5.168 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.381 -6.703 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.817 -6.716 -3.311 1.00 0.00 H new ATOM 191 N GLU A 26 -20.715 -6.179 -6.163 1.00 0.00 N ATOM 192 CA GLU A 26 -19.770 -5.625 -7.129 1.00 0.00 C ATOM 193 C GLU A 26 -20.467 -5.190 -8.415 1.00 0.00 C ATOM 194 O GLU A 26 -19.931 -4.333 -9.112 1.00 0.00 O ATOM 195 CB GLU A 26 -18.693 -6.661 -7.473 1.00 0.00 C ATOM 196 CG GLU A 26 -17.642 -6.071 -8.425 1.00 0.00 C ATOM 197 CD GLU A 26 -16.536 -7.088 -8.704 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.265 -7.903 -7.832 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.799 -6.865 -9.651 1.00 0.00 O ATOM 0 H GLU A 26 -20.590 -7.175 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.313 -4.749 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.208 -7.004 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.157 -7.533 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.116 -5.776 -9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.213 -5.170 -7.987 1.00 0.00 H new ATOM 206 N ARG A 27 -21.401 -6.005 -8.904 1.00 0.00 N ATOM 207 CA ARG A 27 -22.169 -5.625 -10.092 1.00 0.00 C ATOM 208 C ARG A 27 -23.062 -4.407 -9.852 1.00 0.00 C ATOM 209 O ARG A 27 -23.186 -3.553 -10.725 1.00 0.00 O ATOM 210 CB ARG A 27 -23.050 -6.784 -10.566 1.00 0.00 C ATOM 211 CG ARG A 27 -23.791 -6.403 -11.852 1.00 0.00 C ATOM 212 CD ARG A 27 -24.705 -7.558 -12.263 1.00 0.00 C ATOM 213 NE ARG A 27 -25.299 -7.250 -13.556 1.00 0.00 N ATOM 214 CZ ARG A 27 -26.426 -6.554 -13.677 1.00 0.00 C ATOM 215 NH1 ARG A 27 -26.904 -5.846 -12.682 1.00 0.00 N ATOM 216 NH2 ARG A 27 -26.903 -6.374 -14.878 1.00 0.00 N ATOM 0 H ARG A 27 -21.642 -6.913 -8.508 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.433 -5.370 -10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.436 -7.667 -10.741 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.768 -7.044 -9.789 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.377 -5.497 -11.694 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.078 -6.187 -12.647 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.137 -8.487 -12.320 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.484 -7.707 -11.516 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.833 -7.580 -14.401 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -26.409 -5.821 -11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -27.770 -5.321 -12.800 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.414 -6.762 -15.685 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -27.765 -5.845 -15.010 1.00 0.00 H new ATOM 230 N VAL A 28 -23.753 -4.372 -8.717 1.00 0.00 N ATOM 231 CA VAL A 28 -24.633 -3.252 -8.387 1.00 0.00 C ATOM 232 C VAL A 28 -23.807 -1.979 -8.214 1.00 0.00 C ATOM 233 O VAL A 28 -24.274 -0.862 -8.465 1.00 0.00 O ATOM 234 CB VAL A 28 -25.475 -3.594 -7.148 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.563 -3.893 -5.958 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.443 -2.458 -6.793 1.00 0.00 C ATOM 0 H VAL A 28 -23.722 -5.106 -8.009 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.332 -3.070 -9.203 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.067 -4.479 -7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.170 -4.134 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.919 -4.739 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.948 -3.019 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.022 -2.735 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.877 -1.550 -6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.119 -2.281 -7.630 1.00 0.00 H new ATOM 246 N PHE A 29 -22.634 -2.176 -7.624 1.00 0.00 N ATOM 247 CA PHE A 29 -21.763 -1.094 -7.188 1.00 0.00 C ATOM 248 C PHE A 29 -21.573 -0.017 -8.261 1.00 0.00 C ATOM 249 O PHE A 29 -22.025 1.112 -8.054 1.00 0.00 O ATOM 250 CB PHE A 29 -20.442 -1.726 -6.718 1.00 0.00 C ATOM 251 CG PHE A 29 -19.332 -0.717 -6.557 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.581 0.417 -5.784 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.009 -1.194 -6.624 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.538 1.302 -5.544 1.00 0.00 C ATOM 255 CE2 PHE A 29 -16.969 -0.439 -6.069 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.243 0.804 -5.494 1.00 0.00 C ATOM 0 H PHE A 29 -22.257 -3.104 -7.433 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.222 -0.555 -6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.606 -2.233 -5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.134 -2.486 -7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.565 0.603 -5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.797 -2.139 -7.102 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.730 2.355 -5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -15.957 -0.817 -6.085 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.457 1.371 -5.016 1.00 0.00 H new ATOM 266 N PRO A 30 -21.064 -0.356 -9.456 1.00 0.00 N ATOM 267 CA PRO A 30 -21.071 0.579 -10.625 1.00 0.00 C ATOM 268 C PRO A 30 -22.463 1.015 -11.092 1.00 0.00 C ATOM 269 O PRO A 30 -22.610 2.090 -11.679 1.00 0.00 O ATOM 270 CB PRO A 30 -20.389 -0.237 -11.728 1.00 0.00 C ATOM 271 CG PRO A 30 -20.586 -1.667 -11.353 1.00 0.00 C ATOM 272 CD PRO A 30 -20.622 -1.705 -9.830 1.00 0.00 C ATOM 0 HA PRO A 30 -20.578 1.515 -10.363 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.829 -0.023 -12.702 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.329 0.007 -11.797 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.513 -2.056 -11.774 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.776 -2.286 -11.739 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.311 -2.467 -9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.642 -1.935 -9.412 1.00 0.00 H new ATOM 280 N TYR A 31 -23.454 0.131 -10.956 1.00 0.00 N ATOM 281 CA TYR A 31 -24.796 0.412 -11.467 1.00 0.00 C ATOM 282 C TYR A 31 -25.415 1.624 -10.761 1.00 0.00 C ATOM 283 O TYR A 31 -26.121 2.426 -11.374 1.00 0.00 O ATOM 284 CB TYR A 31 -25.700 -0.825 -11.341 1.00 0.00 C ATOM 285 CG TYR A 31 -27.111 -0.499 -11.788 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.387 -0.354 -13.153 1.00 0.00 C ATOM 287 CD2 TYR A 31 -28.124 -0.292 -10.844 1.00 0.00 C ATOM 288 CE1 TYR A 31 -28.702 -0.147 -13.583 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.417 0.022 -11.271 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.731 -0.027 -12.635 1.00 0.00 C ATOM 291 OH TYR A 31 -31.014 0.271 -13.050 1.00 0.00 O ATOM 0 H TYR A 31 -23.354 -0.776 -10.501 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.707 0.657 -12.525 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.299 -1.639 -11.946 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.710 -1.171 -10.308 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.584 -0.402 -13.874 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.907 -0.375 -9.789 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -28.924 -0.080 -14.638 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.172 0.302 -10.551 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.607 0.318 -12.271 1.00 0.00 H new ATOM 301 N SER A 32 -25.282 1.598 -9.440 1.00 0.00 N ATOM 302 CA SER A 32 -25.784 2.640 -8.549 1.00 0.00 C ATOM 303 C SER A 32 -25.115 2.459 -7.186 1.00 0.00 C ATOM 304 O SER A 32 -25.143 1.356 -6.637 1.00 0.00 O ATOM 305 CB SER A 32 -27.309 2.532 -8.409 1.00 0.00 C ATOM 306 OG SER A 32 -27.742 2.982 -7.131 1.00 0.00 O ATOM 0 H SER A 32 -24.813 0.838 -8.948 1.00 0.00 H new ATOM 0 HA SER A 32 -25.553 3.625 -8.955 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.791 3.123 -9.188 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.618 1.497 -8.557 1.00 0.00 H new ATOM 0 HG SER A 32 -28.717 2.904 -7.070 1.00 0.00 H new ATOM 312 N PRO A 33 -24.515 3.516 -6.616 1.00 0.00 N ATOM 313 CA PRO A 33 -24.032 3.506 -5.201 1.00 0.00 C ATOM 314 C PRO A 33 -25.110 3.115 -4.186 1.00 0.00 C ATOM 315 O PRO A 33 -24.884 2.238 -3.362 1.00 0.00 O ATOM 316 CB PRO A 33 -23.590 4.958 -4.975 1.00 0.00 C ATOM 317 CG PRO A 33 -23.295 5.501 -6.333 1.00 0.00 C ATOM 318 CD PRO A 33 -24.295 4.819 -7.263 1.00 0.00 C ATOM 0 HA PRO A 33 -23.246 2.764 -5.056 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.374 5.535 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.710 5.005 -4.334 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.410 6.585 -6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.269 5.283 -6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.220 5.389 -7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.896 4.707 -8.271 1.00 0.00 H new ATOM 326 N GLU A 34 -26.325 3.623 -4.383 1.00 0.00 N ATOM 327 CA GLU A 34 -27.417 3.415 -3.430 1.00 0.00 C ATOM 328 C GLU A 34 -27.892 1.963 -3.374 1.00 0.00 C ATOM 329 O GLU A 34 -28.418 1.526 -2.351 1.00 0.00 O ATOM 330 CB GLU A 34 -28.594 4.333 -3.767 1.00 0.00 C ATOM 331 CG GLU A 34 -28.208 5.796 -3.505 1.00 0.00 C ATOM 332 CD GLU A 34 -29.330 6.756 -3.898 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.370 6.306 -4.356 1.00 0.00 O ATOM 334 OE2 GLU A 34 -29.206 7.922 -3.564 1.00 0.00 O ATOM 0 H GLU A 34 -26.580 4.184 -5.196 1.00 0.00 H new ATOM 0 HA GLU A 34 -27.022 3.661 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.879 4.205 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.461 4.063 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.971 5.926 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -27.306 6.041 -4.067 1.00 0.00 H new ATOM 341 N LEU A 35 -28.003 1.345 -4.546 1.00 0.00 N ATOM 342 CA LEU A 35 -28.345 -0.072 -4.605 1.00 0.00 C ATOM 343 C LEU A 35 -27.256 -0.932 -3.953 1.00 0.00 C ATOM 344 O LEU A 35 -27.529 -1.540 -2.921 1.00 0.00 O ATOM 345 CB LEU A 35 -28.623 -0.492 -6.051 1.00 0.00 C ATOM 346 CG LEU A 35 -29.926 0.144 -6.550 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.047 -0.075 -8.057 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.129 -0.487 -5.838 1.00 0.00 C ATOM 0 H LEU A 35 -27.864 1.793 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.258 -0.235 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.794 -0.188 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.693 -1.578 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.911 1.212 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.972 0.375 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.198 0.387 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.057 -1.144 -8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.048 -0.027 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.153 -1.557 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.042 -0.325 -4.764 1.00 0.00 H new ATOM 360 N ALA A 36 -26.007 -0.562 -4.241 1.00 0.00 N ATOM 361 CA ALA A 36 -24.816 -1.224 -3.693 1.00 0.00 C ATOM 362 C ALA A 36 -24.750 -1.063 -2.176 1.00 0.00 C ATOM 363 O ALA A 36 -24.549 -2.038 -1.450 1.00 0.00 O ATOM 364 CB ALA A 36 -23.538 -0.655 -4.317 1.00 0.00 C ATOM 0 H ALA A 36 -25.789 0.213 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 36 -24.892 -2.284 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.670 -1.162 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.559 -0.810 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.474 0.412 -4.105 1.00 0.00 H new ATOM 370 N LYS A 37 -25.203 0.104 -1.737 1.00 0.00 N ATOM 371 CA LYS A 37 -25.321 0.432 -0.322 1.00 0.00 C ATOM 372 C LYS A 37 -26.242 -0.524 0.434 1.00 0.00 C ATOM 373 O LYS A 37 -25.896 -0.955 1.534 1.00 0.00 O ATOM 374 CB LYS A 37 -25.924 1.840 -0.280 1.00 0.00 C ATOM 375 CG LYS A 37 -26.245 2.320 1.139 1.00 0.00 C ATOM 376 CD LYS A 37 -25.021 2.476 2.049 1.00 0.00 C ATOM 377 CE LYS A 37 -25.437 3.321 3.260 1.00 0.00 C ATOM 378 NZ LYS A 37 -24.728 2.886 4.496 1.00 0.00 N ATOM 0 H LYS A 37 -25.501 0.856 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.344 0.359 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.229 2.539 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.836 1.855 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -26.760 3.278 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -26.937 1.615 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -24.659 1.500 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -24.204 2.957 1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -25.220 4.371 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -26.514 3.241 3.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -25.403 2.427 5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -23.976 2.213 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -24.309 3.714 4.966 1.00 0.00 H new ATOM 392 N ARG A 38 -27.418 -0.803 -0.116 1.00 0.00 N ATOM 393 CA ARG A 38 -28.307 -1.783 0.503 1.00 0.00 C ATOM 394 C ARG A 38 -27.709 -3.191 0.474 1.00 0.00 C ATOM 395 O ARG A 38 -27.667 -3.863 1.503 1.00 0.00 O ATOM 396 CB ARG A 38 -29.656 -1.776 -0.223 1.00 0.00 C ATOM 397 CG ARG A 38 -30.369 -0.462 0.119 1.00 0.00 C ATOM 398 CD ARG A 38 -31.666 -0.344 -0.673 1.00 0.00 C ATOM 399 NE ARG A 38 -32.562 -1.402 -0.241 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.725 -1.593 -0.831 1.00 0.00 C ATOM 401 NH1 ARG A 38 -34.092 -0.822 -1.820 1.00 0.00 N ATOM 402 NH2 ARG A 38 -34.523 -2.491 -0.343 1.00 0.00 N ATOM 0 H ARG A 38 -27.774 -0.376 -0.971 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.443 -1.504 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.510 -1.862 -1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.260 -2.629 0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.582 -0.423 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.718 0.383 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -32.124 0.632 -0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -31.467 -0.427 -1.741 1.00 0.00 H new ATOM 0 HE ARG A 38 -32.287 -2.008 0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -33.478 -0.071 -2.136 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -34.992 -0.971 -2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -34.245 -3.029 0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -35.429 -2.659 -0.780 1.00 0.00 H new ATOM 416 N TYR A 39 -27.113 -3.537 -0.664 1.00 0.00 N ATOM 417 CA TYR A 39 -26.463 -4.831 -0.846 1.00 0.00 C ATOM 418 C TYR A 39 -25.257 -5.080 0.062 1.00 0.00 C ATOM 419 O TYR A 39 -24.991 -6.238 0.401 1.00 0.00 O ATOM 420 CB TYR A 39 -26.102 -5.031 -2.321 1.00 0.00 C ATOM 421 CG TYR A 39 -27.341 -5.449 -3.091 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.346 -4.509 -3.390 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.326 -6.680 -3.775 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.470 -4.909 -4.139 1.00 0.00 C ATOM 425 CE2 TYR A 39 -28.431 -7.066 -4.537 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.521 -6.203 -4.680 1.00 0.00 C ATOM 427 OH TYR A 39 -30.636 -6.607 -5.390 1.00 0.00 O ATOM 0 H TYR A 39 -27.067 -2.931 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.193 -5.579 -0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.697 -4.108 -2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.327 -5.791 -2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.256 -3.489 -3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -26.462 -7.324 -3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.289 -4.223 -4.296 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -28.443 -8.033 -5.017 1.00 0.00 H new ATOM 0 HH TYR A 39 -30.511 -7.529 -5.698 1.00 0.00 H new ATOM 437 N VAL A 40 -24.385 -4.084 0.205 1.00 0.00 N ATOM 438 CA VAL A 40 -23.169 -4.260 0.999 1.00 0.00 C ATOM 439 C VAL A 40 -23.518 -4.493 2.470 1.00 0.00 C ATOM 440 O VAL A 40 -23.028 -5.450 3.073 1.00 0.00 O ATOM 441 CB VAL A 40 -22.184 -3.095 0.858 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.038 -3.298 1.864 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.647 -3.044 -0.580 1.00 0.00 C ATOM 0 H VAL A 40 -24.494 -3.159 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.665 -5.142 0.603 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.682 -2.148 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.327 -2.476 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.442 -3.322 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.531 -4.240 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -20.947 -2.214 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.137 -3.979 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.476 -2.902 -1.273 1.00 0.00 H new ATOM 453 N GLU A 41 -24.461 -3.702 2.985 1.00 0.00 N ATOM 454 CA GLU A 41 -24.871 -3.811 4.384 1.00 0.00 C ATOM 455 C GLU A 41 -25.476 -5.182 4.627 1.00 0.00 C ATOM 456 O GLU A 41 -25.513 -5.658 5.760 1.00 0.00 O ATOM 457 CB GLU A 41 -25.956 -2.808 4.788 1.00 0.00 C ATOM 458 CG GLU A 41 -25.442 -1.368 4.806 1.00 0.00 C ATOM 459 CD GLU A 41 -26.568 -0.384 5.141 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.708 -0.818 5.202 1.00 0.00 O ATOM 461 OE2 GLU A 41 -26.243 0.493 5.919 1.00 0.00 O ATOM 0 H GLU A 41 -24.953 -2.982 2.456 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.969 -3.621 4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.793 -2.883 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.337 -3.067 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.642 -1.273 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.014 -1.119 3.835 1.00 0.00 H new ATOM 468 N LEU A 42 -26.179 -5.664 3.607 1.00 0.00 N ATOM 469 CA LEU A 42 -26.719 -7.013 3.625 1.00 0.00 C ATOM 470 C LEU A 42 -25.571 -8.012 3.726 1.00 0.00 C ATOM 471 O LEU A 42 -25.603 -8.888 4.585 1.00 0.00 O ATOM 472 CB LEU A 42 -27.515 -7.271 2.337 1.00 0.00 C ATOM 473 CG LEU A 42 -28.004 -8.722 2.233 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.062 -8.997 3.304 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.595 -8.947 0.839 1.00 0.00 C ATOM 0 H LEU A 42 -26.387 -5.138 2.758 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.382 -7.128 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.372 -6.598 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -26.891 -7.038 1.474 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.168 -9.404 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.403 -10.029 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.631 -8.835 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -29.907 -8.323 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -28.946 -9.976 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.431 -8.265 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -27.830 -8.761 0.085 1.00 0.00 H new ATOM 487 N ALA A 43 -24.501 -7.784 2.969 1.00 0.00 N ATOM 488 CA ALA A 43 -23.354 -8.680 3.050 1.00 0.00 C ATOM 489 C ALA A 43 -22.683 -8.643 4.422 1.00 0.00 C ATOM 490 O ALA A 43 -22.413 -9.693 4.997 1.00 0.00 O ATOM 491 CB ALA A 43 -22.311 -8.335 1.983 1.00 0.00 C ATOM 0 H ALA A 43 -24.405 -7.010 2.311 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.742 -9.685 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.466 -9.019 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -22.758 -8.429 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -21.966 -7.312 2.129 1.00 0.00 H new ATOM 497 N LEU A 44 -22.542 -7.446 4.995 1.00 0.00 N ATOM 498 CA LEU A 44 -22.076 -7.301 6.372 1.00 0.00 C ATOM 499 C LEU A 44 -23.025 -7.918 7.395 1.00 0.00 C ATOM 500 O LEU A 44 -22.586 -8.534 8.372 1.00 0.00 O ATOM 501 CB LEU A 44 -21.839 -5.825 6.690 1.00 0.00 C ATOM 502 CG LEU A 44 -20.449 -5.400 6.191 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.324 -5.572 4.674 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.153 -3.948 6.585 1.00 0.00 C ATOM 0 H LEU A 44 -22.744 -6.564 4.525 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.139 -7.852 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.608 -5.214 6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.916 -5.658 7.764 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.715 -6.050 6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.329 -5.263 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.480 -6.619 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -21.073 -4.957 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.164 -3.667 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.902 -3.291 6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -20.182 -3.852 7.670 1.00 0.00 H new ATOM 516 N LEU A 45 -24.320 -7.691 7.188 1.00 0.00 N ATOM 517 CA LEU A 45 -25.360 -8.235 8.058 1.00 0.00 C ATOM 518 C LEU A 45 -25.347 -9.759 7.994 1.00 0.00 C ATOM 519 O LEU A 45 -25.745 -10.427 8.942 1.00 0.00 O ATOM 520 CB LEU A 45 -26.738 -7.685 7.649 1.00 0.00 C ATOM 521 CG LEU A 45 -27.857 -8.226 8.555 1.00 0.00 C ATOM 522 CD1 LEU A 45 -27.567 -7.854 10.014 1.00 0.00 C ATOM 523 CD2 LEU A 45 -29.229 -7.656 8.165 1.00 0.00 C ATOM 0 H LEU A 45 -24.677 -7.128 6.416 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.161 -7.929 9.085 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.725 -6.596 7.698 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -26.945 -7.955 6.614 1.00 0.00 H new ATOM 0 HG LEU A 45 -27.883 -9.309 8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -28.362 -8.239 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.615 -8.289 10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.518 -6.769 10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -29.993 -8.062 8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -29.211 -6.570 8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -29.458 -7.931 7.136 1.00 0.00 H new ATOM 535 N VAL A 46 -25.197 -10.260 6.772 1.00 0.00 N ATOM 536 CA VAL A 46 -25.002 -11.689 6.532 1.00 0.00 C ATOM 537 C VAL A 46 -23.701 -12.174 7.166 1.00 0.00 C ATOM 538 O VAL A 46 -23.639 -13.278 7.709 1.00 0.00 O ATOM 539 CB VAL A 46 -25.004 -11.959 5.021 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.597 -13.407 4.723 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.409 -11.711 4.464 1.00 0.00 C ATOM 0 H VAL A 46 -25.207 -9.693 5.924 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.821 -12.241 6.994 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.285 -11.289 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.606 -13.573 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.595 -13.590 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.301 -14.088 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.414 -11.902 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -27.118 -12.378 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.697 -10.676 4.650 1.00 0.00 H new ATOM 551 N GLN A 47 -22.645 -11.389 6.973 1.00 0.00 N ATOM 552 CA GLN A 47 -21.287 -11.791 7.331 1.00 0.00 C ATOM 553 C GLN A 47 -21.165 -12.000 8.838 1.00 0.00 C ATOM 554 O GLN A 47 -20.485 -12.930 9.281 1.00 0.00 O ATOM 555 CB GLN A 47 -20.326 -10.676 6.898 1.00 0.00 C ATOM 556 CG GLN A 47 -18.868 -11.018 7.220 1.00 0.00 C ATOM 557 CD GLN A 47 -17.957 -9.864 6.809 1.00 0.00 C ATOM 558 OE1 GLN A 47 -18.086 -8.755 7.319 1.00 0.00 O ATOM 559 NE2 GLN A 47 -17.104 -10.038 5.836 1.00 0.00 N ATOM 0 H GLN A 47 -22.706 -10.456 6.564 1.00 0.00 H new ATOM 0 HA GLN A 47 -21.045 -12.729 6.832 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.430 -10.504 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.600 -9.747 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.759 -11.216 8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.575 -11.928 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.996 -10.959 5.411 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.546 -9.253 5.501 1.00 0.00 H new ATOM 568 N GLN A 48 -21.771 -11.096 9.610 1.00 0.00 N ATOM 569 CA GLN A 48 -21.775 -11.231 11.064 1.00 0.00 C ATOM 570 C GLN A 48 -22.568 -12.462 11.496 1.00 0.00 C ATOM 571 O GLN A 48 -22.098 -13.241 12.325 1.00 0.00 O ATOM 572 CB GLN A 48 -22.352 -9.977 11.730 1.00 0.00 C ATOM 573 CG GLN A 48 -23.839 -9.810 11.411 1.00 0.00 C ATOM 574 CD GLN A 48 -24.329 -8.494 11.995 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.795 -7.428 11.712 1.00 0.00 O ATOM 576 NE2 GLN A 48 -25.309 -8.524 12.853 1.00 0.00 N ATOM 0 H GLN A 48 -22.259 -10.273 9.257 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.741 -11.352 11.386 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.215 -10.041 12.809 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.804 -9.098 11.390 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.996 -9.824 10.332 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.408 -10.641 11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.754 -9.411 13.089 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.632 -7.660 13.289 1.00 0.00 H new ATOM 585 N LYS A 49 -23.729 -12.656 10.870 1.00 0.00 N ATOM 586 CA LYS A 49 -24.619 -13.782 11.171 1.00 0.00 C ATOM 587 C LYS A 49 -23.997 -15.138 10.836 1.00 0.00 C ATOM 588 O LYS A 49 -24.108 -16.081 11.618 1.00 0.00 O ATOM 589 CB LYS A 49 -25.946 -13.626 10.415 1.00 0.00 C ATOM 590 CG LYS A 49 -26.754 -12.456 10.985 1.00 0.00 C ATOM 591 CD LYS A 49 -28.063 -12.276 10.204 1.00 0.00 C ATOM 592 CE LYS A 49 -28.835 -11.094 10.795 1.00 0.00 C ATOM 593 NZ LYS A 49 -30.102 -10.899 10.030 1.00 0.00 N ATOM 0 H LYS A 49 -24.081 -12.038 10.139 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.794 -13.762 12.247 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.750 -13.459 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.525 -14.546 10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.973 -12.636 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.165 -11.540 10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.851 -12.098 9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.663 -13.184 10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -29.056 -11.279 11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.228 -10.190 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -30.629 -10.096 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.879 -10.705 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.682 -11.760 10.094 1.00 0.00 H new ATOM 607 N ALA A 50 -23.335 -15.210 9.683 1.00 0.00 N ATOM 608 CA ALA A 50 -22.611 -16.409 9.260 1.00 0.00 C ATOM 609 C ALA A 50 -21.325 -16.584 10.064 1.00 0.00 C ATOM 610 O ALA A 50 -20.770 -17.682 10.122 1.00 0.00 O ATOM 611 CB ALA A 50 -22.274 -16.307 7.771 1.00 0.00 C ATOM 0 H ALA A 50 -23.285 -14.440 9.016 1.00 0.00 H new ATOM 0 HA ALA A 50 -23.248 -17.275 9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.735 -17.201 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.195 -16.218 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.652 -15.429 7.598 1.00 0.00 H new ATOM 617 N LYS A 51 -20.950 -15.520 10.771 1.00 0.00 N ATOM 618 CA LYS A 51 -19.766 -15.526 11.624 1.00 0.00 C ATOM 619 C LYS A 51 -18.525 -15.956 10.838 1.00 0.00 C ATOM 620 O LYS A 51 -17.740 -16.800 11.281 1.00 0.00 O ATOM 621 CB LYS A 51 -19.980 -16.429 12.842 1.00 0.00 C ATOM 622 CG LYS A 51 -19.349 -15.781 14.078 1.00 0.00 C ATOM 623 CD LYS A 51 -19.692 -16.606 15.324 1.00 0.00 C ATOM 624 CE LYS A 51 -19.051 -15.945 16.549 1.00 0.00 C ATOM 625 NZ LYS A 51 -19.348 -16.710 17.799 1.00 0.00 N ATOM 0 H LYS A 51 -21.456 -14.634 10.768 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.601 -14.509 11.979 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.046 -16.589 13.006 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.535 -17.408 12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.268 -15.720 13.957 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.715 -14.761 14.193 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.773 -16.666 15.450 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.327 -17.627 15.212 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.972 -15.881 16.407 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.420 -14.924 16.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.900 -16.237 18.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.377 -16.749 17.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.974 -17.676 17.712 1.00 0.00 H new ATOM 639 N VAL A 52 -18.264 -15.214 9.769 1.00 0.00 N ATOM 640 CA VAL A 52 -17.113 -15.467 8.908 1.00 0.00 C ATOM 641 C VAL A 52 -16.173 -14.263 8.943 1.00 0.00 C ATOM 642 O VAL A 52 -16.616 -13.114 8.967 1.00 0.00 O ATOM 643 CB VAL A 52 -17.591 -15.720 7.472 1.00 0.00 C ATOM 644 CG1 VAL A 52 -18.211 -17.117 7.361 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.640 -14.679 7.058 1.00 0.00 C ATOM 0 H VAL A 52 -18.839 -14.425 9.475 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.577 -16.347 9.265 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.727 -15.644 6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.547 -17.286 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.467 -17.868 7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -19.061 -17.193 8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.965 -14.877 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.496 -14.738 7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -18.204 -13.681 7.113 1.00 0.00 H new ATOM 655 N LYS A 53 -14.895 -14.554 9.175 1.00 0.00 N ATOM 656 CA LYS A 53 -13.859 -13.535 9.178 1.00 0.00 C ATOM 657 C LYS A 53 -13.390 -13.265 7.752 1.00 0.00 C ATOM 658 O LYS A 53 -12.936 -14.182 7.058 1.00 0.00 O ATOM 659 CB LYS A 53 -12.693 -14.002 10.054 1.00 0.00 C ATOM 660 CG LYS A 53 -11.629 -12.905 10.140 1.00 0.00 C ATOM 661 CD LYS A 53 -10.488 -13.353 11.056 1.00 0.00 C ATOM 662 CE LYS A 53 -9.448 -12.233 11.155 1.00 0.00 C ATOM 663 NZ LYS A 53 -8.334 -12.668 12.048 1.00 0.00 N ATOM 0 H LYS A 53 -14.555 -15.497 9.364 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.258 -12.606 9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.054 -14.249 11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.257 -14.911 9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.242 -12.683 9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.073 -11.985 10.521 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.875 -13.594 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.027 -14.260 10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.062 -11.992 10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.910 -11.327 11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.627 -11.908 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.710 -12.877 12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.888 -13.522 11.656 1.00 0.00 H new ATOM 677 N ILE A 54 -13.312 -11.986 7.402 1.00 0.00 N ATOM 678 CA ILE A 54 -12.740 -11.575 6.130 1.00 0.00 C ATOM 679 C ILE A 54 -11.669 -10.506 6.392 1.00 0.00 C ATOM 680 O ILE A 54 -11.991 -9.391 6.809 1.00 0.00 O ATOM 681 CB ILE A 54 -13.883 -11.020 5.268 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.779 -12.170 4.776 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.315 -10.249 4.070 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.686 -12.710 5.891 1.00 0.00 C ATOM 0 H ILE A 54 -13.639 -11.216 7.985 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.267 -12.408 5.610 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.481 -10.339 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.393 -11.821 3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.155 -12.978 4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.135 -9.860 3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.703 -9.421 4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -12.703 -10.917 3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.301 -13.520 5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.072 -13.084 6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.330 -11.910 6.256 1.00 0.00 H new ATOM 696 N PRO A 55 -10.372 -10.874 6.300 1.00 0.00 N ATOM 697 CA PRO A 55 -9.254 -9.901 6.478 1.00 0.00 C ATOM 698 C PRO A 55 -9.197 -8.786 5.432 1.00 0.00 C ATOM 699 O PRO A 55 -8.656 -7.717 5.715 1.00 0.00 O ATOM 700 CB PRO A 55 -7.990 -10.770 6.456 1.00 0.00 C ATOM 701 CG PRO A 55 -8.368 -12.044 5.774 1.00 0.00 C ATOM 702 CD PRO A 55 -9.882 -12.211 5.923 1.00 0.00 C ATOM 0 HA PRO A 55 -9.382 -9.345 7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.183 -10.268 5.923 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.633 -10.962 7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.087 -12.014 4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.843 -12.889 6.220 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.336 -12.551 4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.125 -12.951 6.685 1.00 0.00 H new ATOM 710 N ARG A 56 -9.635 -9.071 4.205 1.00 0.00 N ATOM 711 CA ARG A 56 -9.412 -8.129 3.103 1.00 0.00 C ATOM 712 C ARG A 56 -10.631 -7.929 2.190 1.00 0.00 C ATOM 713 O ARG A 56 -10.823 -6.821 1.674 1.00 0.00 O ATOM 714 CB ARG A 56 -8.167 -8.533 2.300 1.00 0.00 C ATOM 715 CG ARG A 56 -6.904 -8.371 3.168 1.00 0.00 C ATOM 716 CD ARG A 56 -5.638 -8.832 2.436 1.00 0.00 C ATOM 717 NE ARG A 56 -5.343 -8.004 1.268 1.00 0.00 N ATOM 718 CZ ARG A 56 -4.333 -8.300 0.450 1.00 0.00 C ATOM 719 NH1 ARG A 56 -3.663 -9.417 0.599 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.103 -7.539 -0.588 1.00 0.00 N ATOM 0 H ARG A 56 -10.134 -9.923 3.951 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.243 -7.155 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.259 -9.567 1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.085 -7.916 1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.795 -7.326 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.020 -8.945 4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.792 -8.803 3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.759 -9.869 2.123 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.920 -7.185 1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.913 -10.066 1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.891 -9.637 -0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.694 -6.727 -0.766 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.332 -7.757 -1.220 1.00 0.00 H new ATOM 734 N LYS A 57 -11.354 -8.997 1.854 1.00 0.00 N ATOM 735 CA LYS A 57 -12.293 -8.950 0.731 1.00 0.00 C ATOM 736 C LYS A 57 -13.433 -7.956 0.939 1.00 0.00 C ATOM 737 O LYS A 57 -13.838 -7.288 -0.016 1.00 0.00 O ATOM 738 CB LYS A 57 -12.928 -10.327 0.489 1.00 0.00 C ATOM 739 CG LYS A 57 -11.915 -11.323 -0.073 1.00 0.00 C ATOM 740 CD LYS A 57 -12.604 -12.679 -0.268 1.00 0.00 C ATOM 741 CE LYS A 57 -11.644 -13.662 -0.943 1.00 0.00 C ATOM 742 NZ LYS A 57 -10.467 -13.909 -0.058 1.00 0.00 N ATOM 0 H LYS A 57 -11.310 -9.895 2.336 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.697 -8.631 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.335 -10.710 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.763 -10.226 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.519 -10.962 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.070 -11.425 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.925 -13.075 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.500 -12.557 -0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.157 -14.601 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.312 -13.261 -1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.944 -14.740 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.842 -13.078 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.794 -14.081 0.914 1.00 0.00 H new ATOM 756 N TRP A 58 -14.020 -7.927 2.135 1.00 0.00 N ATOM 757 CA TRP A 58 -14.936 -6.842 2.472 1.00 0.00 C ATOM 758 C TRP A 58 -14.261 -5.744 3.283 1.00 0.00 C ATOM 759 O TRP A 58 -14.517 -4.565 3.057 1.00 0.00 O ATOM 760 CB TRP A 58 -16.155 -7.378 3.227 1.00 0.00 C ATOM 761 CG TRP A 58 -17.287 -7.561 2.267 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.736 -8.746 1.788 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.891 -6.537 1.430 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.783 -8.485 0.923 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.803 -7.158 0.540 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.572 -5.185 1.226 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.289 -6.480 -0.583 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.063 -4.506 0.104 1.00 0.00 C ATOM 769 CH2 TRP A 58 -18.988 -5.125 -0.749 1.00 0.00 C ATOM 0 H TRP A 58 -13.882 -8.623 2.868 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.261 -6.400 1.530 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.912 -8.326 3.707 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.442 -6.685 4.018 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.346 -9.722 2.037 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.455 -9.184 0.608 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.946 -4.667 1.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -19.891 -6.998 -1.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.728 -3.501 -0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.467 -4.556 -1.532 1.00 0.00 H new ATOM 780 N LYS A 59 -13.274 -6.129 4.086 1.00 0.00 N ATOM 781 CA LYS A 59 -12.697 -5.219 5.071 1.00 0.00 C ATOM 782 C LYS A 59 -12.026 -4.023 4.401 1.00 0.00 C ATOM 783 O LYS A 59 -11.902 -2.964 5.013 1.00 0.00 O ATOM 784 CB LYS A 59 -11.694 -5.959 5.962 1.00 0.00 C ATOM 785 CG LYS A 59 -11.158 -5.049 7.071 1.00 0.00 C ATOM 786 CD LYS A 59 -10.219 -5.856 7.970 1.00 0.00 C ATOM 787 CE LYS A 59 -9.699 -4.958 9.093 1.00 0.00 C ATOM 788 NZ LYS A 59 -8.782 -5.733 9.979 1.00 0.00 N ATOM 0 H LYS A 59 -12.858 -7.060 4.075 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.511 -4.843 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.173 -6.832 6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.865 -6.323 5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.628 -4.201 6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.983 -4.644 7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.746 -6.713 8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.386 -6.248 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.174 -4.101 8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.534 -4.566 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.432 -5.117 10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.296 -6.537 10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.978 -6.086 9.422 1.00 0.00 H new ATOM 802 N ARG A 60 -11.266 -4.336 3.356 1.00 0.00 N ATOM 803 CA ARG A 60 -10.452 -3.342 2.672 1.00 0.00 C ATOM 804 C ARG A 60 -11.177 -2.779 1.454 1.00 0.00 C ATOM 805 O ARG A 60 -10.662 -1.876 0.794 1.00 0.00 O ATOM 806 CB ARG A 60 -9.125 -3.986 2.261 1.00 0.00 C ATOM 807 CG ARG A 60 -8.362 -4.474 3.499 1.00 0.00 C ATOM 808 CD ARG A 60 -7.915 -3.289 4.359 1.00 0.00 C ATOM 809 NE ARG A 60 -6.847 -2.580 3.665 1.00 0.00 N ATOM 810 CZ ARG A 60 -6.288 -1.465 4.132 1.00 0.00 C ATOM 811 NH1 ARG A 60 -6.571 -1.007 5.322 1.00 0.00 N ATOM 812 NH2 ARG A 60 -5.751 -0.651 3.268 1.00 0.00 N ATOM 0 H ARG A 60 -11.198 -5.275 2.964 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.262 -2.509 3.349 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.312 -4.823 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.518 -3.266 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.997 -5.137 4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.493 -5.055 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.755 -2.619 4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.566 -3.638 5.331 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.511 -2.956 2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.233 -1.506 5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.130 -0.151 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.769 -0.878 2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.313 0.214 3.586 1.00 0.00 H new ATOM 826 N ARG A 61 -12.384 -3.281 1.207 1.00 0.00 N ATOM 827 CA ARG A 61 -13.206 -2.784 0.109 1.00 0.00 C ATOM 828 C ARG A 61 -14.549 -2.223 0.589 1.00 0.00 C ATOM 829 O ARG A 61 -15.557 -2.402 -0.092 1.00 0.00 O ATOM 830 CB ARG A 61 -13.442 -3.910 -0.904 1.00 0.00 C ATOM 831 CG ARG A 61 -12.126 -4.231 -1.626 1.00 0.00 C ATOM 832 CD ARG A 61 -12.325 -5.394 -2.605 1.00 0.00 C ATOM 833 NE ARG A 61 -11.078 -5.715 -3.296 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.924 -6.820 -4.020 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.917 -7.655 -4.195 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.803 -6.988 -4.674 1.00 0.00 N ATOM 0 H ARG A 61 -12.813 -4.030 1.751 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.665 -1.962 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.817 -4.798 -0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.202 -3.611 -1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.774 -3.350 -2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.357 -4.488 -0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.682 -6.271 -2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.092 -5.133 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.295 -5.066 -3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.826 -7.463 -3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.782 -8.498 -4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.071 -6.280 -4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.661 -7.827 -5.236 1.00 0.00 H new ATOM 850 N TYR A 62 -14.566 -1.443 1.675 1.00 0.00 N ATOM 851 CA TYR A 62 -15.835 -0.891 2.160 1.00 0.00 C ATOM 852 C TYR A 62 -15.675 0.473 2.843 1.00 0.00 C ATOM 853 O TYR A 62 -14.556 0.887 3.150 1.00 0.00 O ATOM 854 CB TYR A 62 -16.524 -1.904 3.084 1.00 0.00 C ATOM 855 CG TYR A 62 -16.025 -1.876 4.519 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.662 -1.941 4.832 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.937 -1.533 5.520 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.243 -1.751 6.160 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.537 -1.541 6.858 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.187 -1.693 7.189 1.00 0.00 C ATOM 861 OH TYR A 62 -14.785 -1.623 8.508 1.00 0.00 O ATOM 0 H TYR A 62 -13.743 -1.186 2.220 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.467 -0.712 1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.597 -1.712 3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.378 -2.906 2.680 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -13.936 -2.136 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.950 -1.262 5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.192 -1.650 6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.273 -1.429 7.640 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.574 -1.588 9.089 1.00 0.00 H new ATOM 871 N CYS A 63 -16.782 1.216 2.958 1.00 0.00 N ATOM 872 CA CYS A 63 -16.775 2.497 3.669 1.00 0.00 C ATOM 873 C CYS A 63 -17.076 2.302 5.148 1.00 0.00 C ATOM 874 O CYS A 63 -17.950 1.517 5.517 1.00 0.00 O ATOM 875 CB CYS A 63 -17.817 3.466 3.100 1.00 0.00 C ATOM 876 SG CYS A 63 -17.274 5.186 3.287 1.00 0.00 S ATOM 0 H CYS A 63 -17.688 0.953 2.570 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.777 2.916 3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -17.986 3.247 2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.769 3.324 3.611 1.00 0.00 H new ATOM 881 N LYS A 64 -16.324 3.018 5.977 1.00 0.00 N ATOM 882 CA LYS A 64 -16.380 2.797 7.416 1.00 0.00 C ATOM 883 C LYS A 64 -17.764 3.121 7.966 1.00 0.00 C ATOM 884 O LYS A 64 -18.339 2.312 8.690 1.00 0.00 O ATOM 885 CB LYS A 64 -15.397 3.765 8.080 1.00 0.00 C ATOM 886 CG LYS A 64 -13.948 3.404 7.753 1.00 0.00 C ATOM 887 CD LYS A 64 -13.003 4.402 8.437 1.00 0.00 C ATOM 888 CE LYS A 64 -13.104 5.792 7.791 1.00 0.00 C ATOM 889 NZ LYS A 64 -12.056 6.700 8.348 1.00 0.00 N ATOM 0 H LYS A 64 -15.676 3.748 5.681 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.142 1.753 7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.604 4.782 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.542 3.749 9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.730 2.391 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.793 3.421 6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.248 4.472 9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.977 4.040 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.985 5.708 6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.093 6.213 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.136 7.636 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.188 6.793 9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.114 6.303 8.154 1.00 0.00 H new ATOM 903 N LYS A 65 -18.362 4.215 7.495 1.00 0.00 N ATOM 904 CA LYS A 65 -19.769 4.471 7.799 1.00 0.00 C ATOM 905 C LYS A 65 -20.741 3.650 6.941 1.00 0.00 C ATOM 906 O LYS A 65 -21.686 3.060 7.463 1.00 0.00 O ATOM 907 CB LYS A 65 -20.069 5.971 7.674 1.00 0.00 C ATOM 908 CG LYS A 65 -21.497 6.258 8.150 1.00 0.00 C ATOM 909 CD LYS A 65 -21.755 7.768 8.099 1.00 0.00 C ATOM 910 CE LYS A 65 -23.175 8.046 8.590 1.00 0.00 C ATOM 911 NZ LYS A 65 -23.429 9.515 8.576 1.00 0.00 N ATOM 0 H LYS A 65 -17.908 4.922 6.916 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.931 4.147 8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.356 6.544 8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.951 6.290 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -22.215 5.733 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.635 5.888 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.031 8.295 8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -21.629 8.137 7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.898 7.535 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.306 7.653 9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.396 9.703 8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.748 9.991 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -23.321 9.877 7.607 1.00 0.00 H new ATOM 925 N CYS A 66 -20.535 3.691 5.623 1.00 0.00 N ATOM 926 CA CYS A 66 -21.573 3.347 4.655 1.00 0.00 C ATOM 927 C CYS A 66 -21.719 1.848 4.469 1.00 0.00 C ATOM 928 O CYS A 66 -22.627 1.441 3.743 1.00 0.00 O ATOM 929 CB CYS A 66 -21.304 4.017 3.305 1.00 0.00 C ATOM 930 SG CYS A 66 -21.073 5.785 3.594 1.00 0.00 S ATOM 0 H CYS A 66 -19.647 3.963 5.200 1.00 0.00 H new ATOM 0 HA CYS A 66 -22.513 3.721 5.061 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.418 3.589 2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -22.138 3.848 2.623 1.00 0.00 H new ATOM 935 N HIS A 67 -20.597 1.159 4.639 1.00 0.00 N ATOM 936 CA HIS A 67 -20.611 -0.289 4.526 1.00 0.00 C ATOM 937 C HIS A 67 -20.960 -0.588 3.072 1.00 0.00 C ATOM 938 O HIS A 67 -22.130 -0.850 2.811 1.00 0.00 O ATOM 939 CB HIS A 67 -21.620 -0.873 5.528 1.00 0.00 C ATOM 940 CG HIS A 67 -21.060 -0.767 6.926 1.00 0.00 C ATOM 941 ND1 HIS A 67 -21.841 -0.967 8.058 1.00 0.00 N ATOM 942 CD2 HIS A 67 -19.848 -0.323 7.399 1.00 0.00 C ATOM 943 CE1 HIS A 67 -21.091 -0.662 9.134 1.00 0.00 C ATOM 944 NE2 HIS A 67 -19.934 -0.104 8.770 1.00 0.00 N ATOM 0 H HIS A 67 -19.688 1.570 4.851 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.654 -0.749 4.771 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -22.566 -0.336 5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -21.827 -1.915 5.286 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -18.964 -0.168 6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -21.386 -0.845 10.157 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -19.261 0.377 9.366 1.00 0.00 H new ATOM 953 N ALA A 68 -20.220 0.132 2.224 1.00 0.00 N ATOM 954 CA ALA A 68 -20.448 0.148 0.778 1.00 0.00 C ATOM 955 C ALA A 68 -19.125 -0.097 0.064 1.00 0.00 C ATOM 956 O ALA A 68 -18.140 0.561 0.397 1.00 0.00 O ATOM 957 CB ALA A 68 -21.025 1.491 0.321 1.00 0.00 C ATOM 0 H ALA A 68 -19.443 0.722 2.523 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.166 -0.634 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.183 1.471 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.976 1.669 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.328 2.291 0.571 1.00 0.00 H new ATOM 963 N PHE A 69 -19.195 -0.694 -1.122 1.00 0.00 N ATOM 964 CA PHE A 69 -17.976 -1.164 -1.765 1.00 0.00 C ATOM 965 C PHE A 69 -17.110 0.033 -2.108 1.00 0.00 C ATOM 966 O PHE A 69 -17.546 0.881 -2.878 1.00 0.00 O ATOM 967 CB PHE A 69 -18.319 -1.903 -3.060 1.00 0.00 C ATOM 968 CG PHE A 69 -17.230 -2.900 -3.382 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.960 -2.423 -3.755 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.607 -4.200 -3.749 1.00 0.00 C ATOM 971 CE1 PHE A 69 -15.012 -3.311 -4.266 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.720 -5.007 -4.469 1.00 0.00 C ATOM 973 CZ PHE A 69 -15.429 -4.551 -4.758 1.00 0.00 C ATOM 0 H PHE A 69 -20.056 -0.860 -1.643 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.450 -1.838 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -19.275 -2.416 -2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.427 -1.191 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.720 -1.376 -3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -18.581 -4.578 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.966 -3.042 -4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -17.033 -5.985 -4.803 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.760 -5.152 -5.356 1.00 0.00 H new ATOM 983 N LEU A 70 -15.842 0.010 -1.709 1.00 0.00 N ATOM 984 CA LEU A 70 -15.087 1.255 -1.780 1.00 0.00 C ATOM 985 C LEU A 70 -14.099 1.100 -2.932 1.00 0.00 C ATOM 986 O LEU A 70 -12.978 0.629 -2.749 1.00 0.00 O ATOM 987 CB LEU A 70 -14.371 1.508 -0.446 1.00 0.00 C ATOM 988 CG LEU A 70 -14.121 3.001 -0.180 1.00 0.00 C ATOM 989 CD1 LEU A 70 -13.612 3.775 -1.406 1.00 0.00 C ATOM 990 CD2 LEU A 70 -15.428 3.612 0.337 1.00 0.00 C ATOM 0 H LEU A 70 -15.340 -0.804 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.734 2.114 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.968 1.094 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.418 0.978 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.323 3.081 0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.460 4.821 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.668 3.345 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.347 3.709 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.280 4.674 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.209 3.488 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.726 3.109 1.257 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.462 1.705 -4.060 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.555 1.921 -5.187 1.00 0.00 C ATOM 1004 C VAL A 71 -13.759 3.343 -5.699 1.00 0.00 C ATOM 1005 O VAL A 71 -14.902 3.758 -5.889 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.828 0.886 -6.295 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -12.999 1.161 -7.557 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.478 -0.508 -5.768 1.00 0.00 C ATOM 0 H VAL A 71 -15.403 2.063 -4.220 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.519 1.795 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.882 0.952 -6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.224 0.407 -8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.246 2.149 -7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.938 1.123 -7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.668 -1.249 -6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.425 -0.537 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.092 -0.732 -4.896 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.690 4.102 -5.990 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.849 5.423 -6.655 1.00 0.00 C ATOM 1020 C PRO A 72 -13.480 5.291 -8.039 1.00 0.00 C ATOM 1021 O PRO A 72 -13.043 4.489 -8.867 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.434 6.004 -6.716 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.612 5.192 -5.766 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.281 3.821 -5.662 1.00 0.00 C ATOM 0 HA PRO A 72 -13.528 6.076 -6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.032 5.946 -7.727 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.432 7.056 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.588 5.096 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.563 5.673 -4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.842 3.106 -6.357 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.178 3.398 -4.663 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.287 6.306 -8.319 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.948 6.513 -9.600 1.00 0.00 C ATOM 1034 C GLY A 73 -16.404 6.046 -9.596 1.00 0.00 C ATOM 1035 O GLY A 73 -17.127 6.327 -10.558 1.00 0.00 O ATOM 0 H GLY A 73 -14.507 7.032 -7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.911 7.572 -9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.401 5.978 -10.377 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.738 5.124 -8.687 1.00 0.00 N ATOM 1040 CA ILE A 74 -18.043 4.467 -8.723 1.00 0.00 C ATOM 1041 C ILE A 74 -19.029 5.047 -7.700 1.00 0.00 C ATOM 1042 O ILE A 74 -19.870 5.876 -8.062 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.861 2.966 -8.479 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -17.018 2.369 -9.614 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.250 2.317 -8.455 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.569 0.940 -9.292 1.00 0.00 C ATOM 0 H ILE A 74 -16.129 4.820 -7.927 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.471 4.644 -9.710 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.351 2.786 -7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.597 2.370 -10.537 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.143 2.996 -9.786 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.148 1.246 -8.282 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.844 2.759 -7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.747 2.485 -9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.975 0.550 -10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.968 0.944 -8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.445 0.308 -9.145 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.849 4.716 -6.412 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.703 5.243 -5.332 1.00 0.00 C ATOM 1060 C ASN A 75 -18.987 6.307 -4.518 1.00 0.00 C ATOM 1061 O ASN A 75 -19.602 7.001 -3.706 1.00 0.00 O ATOM 1062 CB ASN A 75 -20.160 4.143 -4.358 1.00 0.00 C ATOM 1063 CG ASN A 75 -19.013 3.520 -3.556 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.838 3.790 -3.814 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -19.295 2.912 -2.435 1.00 0.00 N ATOM 0 H ASN A 75 -18.117 4.083 -6.090 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.571 5.671 -5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.890 4.562 -3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.667 3.359 -4.920 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.547 2.667 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -20.263 2.683 -2.209 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.787 6.604 -4.989 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.826 7.449 -4.308 1.00 0.00 C ATOM 1074 C ALA A 76 -15.843 7.872 -5.382 1.00 0.00 C ATOM 1075 O ALA A 76 -15.637 7.122 -6.326 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.110 6.650 -3.209 1.00 0.00 C ATOM 0 H ALA A 76 -17.447 6.252 -5.884 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.296 8.307 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.390 7.293 -2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.842 6.287 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.589 5.803 -3.656 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.219 9.027 -5.217 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.222 9.497 -6.165 1.00 0.00 C ATOM 1084 C ARG A 77 -13.004 9.992 -5.404 1.00 0.00 C ATOM 1085 O ARG A 77 -13.127 10.487 -4.289 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.783 10.621 -7.042 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.852 10.850 -8.242 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.381 11.959 -9.155 1.00 0.00 C ATOM 1089 NE ARG A 77 -14.371 13.242 -8.456 1.00 0.00 N ATOM 1090 CZ ARG A 77 -13.289 14.022 -8.456 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -12.142 13.543 -8.867 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -13.433 15.315 -8.332 1.00 0.00 N ATOM 0 H ARG A 77 -15.386 9.658 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.941 8.670 -6.817 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.783 10.361 -7.389 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.876 11.538 -6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.856 11.113 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.754 9.925 -8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.768 12.022 -10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.395 11.721 -9.477 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.208 13.547 -7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.078 12.576 -9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.313 14.137 -8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.365 15.717 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.613 15.922 -8.331 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.842 9.789 -6.017 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.565 10.093 -5.395 1.00 0.00 C ATOM 1108 C VAL A 78 -9.793 11.043 -6.292 1.00 0.00 C ATOM 1109 O VAL A 78 -9.917 10.981 -7.511 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.752 8.810 -5.168 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.164 8.270 -6.482 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.609 9.105 -4.199 1.00 0.00 C ATOM 0 H VAL A 78 -11.763 9.409 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.742 10.559 -4.426 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.423 8.055 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.596 7.362 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.973 8.045 -7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.506 9.020 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.028 8.197 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.965 9.876 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.017 9.452 -3.250 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.241 12.079 -5.674 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.369 12.998 -6.388 1.00 0.00 C ATOM 1124 C ARG A 79 -6.968 12.942 -5.802 1.00 0.00 C ATOM 1125 O ARG A 79 -6.809 12.790 -4.598 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.949 14.416 -6.329 1.00 0.00 C ATOM 1127 CG ARG A 79 -8.211 15.330 -7.317 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.764 16.754 -7.248 1.00 0.00 C ATOM 1129 NE ARG A 79 -8.437 17.347 -5.956 1.00 0.00 N ATOM 1130 CZ ARG A 79 -8.884 18.550 -5.611 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -9.565 19.260 -6.469 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -8.882 18.908 -4.356 1.00 0.00 N ATOM 0 H ARG A 79 -9.381 12.302 -4.688 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.305 12.705 -7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.012 14.392 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.858 14.812 -5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.145 15.336 -7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.318 14.941 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.343 17.357 -8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.845 16.742 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.852 16.826 -5.302 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.753 18.891 -7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.909 20.184 -6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.538 18.265 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.224 19.831 -4.088 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.004 12.747 -6.698 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.622 12.506 -6.304 1.00 0.00 C ATOM 1148 C LEU A 80 -3.847 13.814 -6.474 1.00 0.00 C ATOM 1149 O LEU A 80 -3.842 14.407 -7.550 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.007 11.381 -7.153 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.941 10.158 -7.185 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -5.984 10.312 -8.303 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.143 8.859 -7.377 1.00 0.00 C ATOM 0 H LEU A 80 -6.158 12.752 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.575 12.184 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.831 11.738 -8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.038 11.096 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.457 10.101 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.637 9.440 -8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.578 11.208 -8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.477 10.397 -9.264 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.827 8.011 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.595 8.904 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.439 8.739 -6.553 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.412 14.353 -5.332 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.671 15.611 -5.290 1.00 0.00 C ATOM 1167 C ARG A 81 -1.178 15.352 -5.463 1.00 0.00 C ATOM 1168 O ARG A 81 -0.587 14.623 -4.667 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.911 16.334 -3.959 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.356 16.830 -3.858 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.553 17.496 -2.489 1.00 0.00 C ATOM 1172 NE ARG A 81 -5.891 18.071 -2.324 1.00 0.00 N ATOM 1173 CZ ARG A 81 -6.143 19.351 -2.611 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -5.283 20.056 -3.303 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -7.042 19.990 -1.908 1.00 0.00 N ATOM 0 H ARG A 81 -3.564 13.930 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.025 16.240 -6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.695 15.659 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.226 17.177 -3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.569 17.540 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.050 15.998 -3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.380 16.760 -1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.807 18.281 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.648 17.479 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.415 19.628 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.481 21.033 -3.519 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.537 19.510 -1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.248 20.968 -2.112 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.555 16.218 -6.261 1.00 0.00 N ATOM 1190 CA GLN A 82 0.865 16.091 -6.571 1.00 0.00 C ATOM 1191 C GLN A 82 1.670 17.264 -6.019 1.00 0.00 C ATOM 1192 O GLN A 82 1.771 18.322 -6.641 1.00 0.00 O ATOM 1193 CB GLN A 82 1.074 15.988 -8.083 1.00 0.00 C ATOM 1194 CG GLN A 82 0.522 14.650 -8.593 1.00 0.00 C ATOM 1195 CD GLN A 82 0.664 14.576 -10.113 1.00 0.00 C ATOM 1196 OE1 GLN A 82 0.050 15.371 -10.828 1.00 0.00 O ATOM 1197 NE2 GLN A 82 1.452 13.681 -10.652 1.00 0.00 N ATOM 0 H GLN A 82 -1.013 17.015 -6.704 1.00 0.00 H new ATOM 0 HA GLN A 82 1.222 15.179 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.572 16.815 -8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.135 16.068 -8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.059 13.824 -8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.526 14.548 -8.311 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.959 13.024 -10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.559 13.640 -11.666 1.00 0.00 H new ATOM 1206 N LYS A 83 2.029 17.107 -4.753 1.00 0.00 N ATOM 1207 CA LYS A 83 2.918 18.019 -4.036 1.00 0.00 C ATOM 1208 C LYS A 83 4.059 17.153 -3.506 1.00 0.00 C ATOM 1209 O LYS A 83 4.050 15.952 -3.800 1.00 0.00 O ATOM 1210 CB LYS A 83 2.115 18.686 -2.913 1.00 0.00 C ATOM 1211 CG LYS A 83 2.660 20.076 -2.586 1.00 0.00 C ATOM 1212 CD LYS A 83 1.728 20.757 -1.576 1.00 0.00 C ATOM 1213 CE LYS A 83 2.223 22.167 -1.254 1.00 0.00 C ATOM 1214 NZ LYS A 83 1.278 22.817 -0.302 1.00 0.00 N ATOM 0 H LYS A 83 1.705 16.327 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 83 3.324 18.817 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.069 18.764 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.148 18.062 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.667 19.998 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.732 20.675 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.717 20.804 -1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.679 20.165 -0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.222 22.124 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.298 22.756 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.613 23.777 -0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.333 22.870 -0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.228 22.258 0.574 1.00 0.00 H new ATOM 1228 N ARG A 84 5.127 17.721 -2.935 1.00 0.00 N ATOM 1229 CA ARG A 84 6.050 16.785 -2.294 1.00 0.00 C ATOM 1230 C ARG A 84 5.453 16.491 -0.915 1.00 0.00 C ATOM 1231 O ARG A 84 6.191 16.284 0.046 1.00 0.00 O ATOM 1232 CB ARG A 84 7.361 17.533 -2.032 1.00 0.00 C ATOM 1233 CG ARG A 84 8.072 17.951 -3.319 1.00 0.00 C ATOM 1234 CD ARG A 84 9.304 18.786 -2.951 1.00 0.00 C ATOM 1235 NE ARG A 84 9.998 19.253 -4.152 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.013 20.120 -4.082 1.00 0.00 C ATOM 1237 NH1 ARG A 84 11.374 20.625 -2.933 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.542 20.590 -5.180 1.00 0.00 N ATOM 0 H ARG A 84 5.359 18.714 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 84 6.208 15.892 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.155 18.419 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.025 16.898 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.369 17.071 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.399 18.529 -3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.001 19.641 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.984 18.189 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 84 9.700 18.909 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.880 20.358 -2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.150 21.286 -2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.180 20.295 -6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.317 21.252 -5.130 1.00 0.00 H new ATOM 1252 N MET A 85 4.232 15.972 -0.975 1.00 0.00 N ATOM 1253 CA MET A 85 3.683 14.902 -0.151 1.00 0.00 C ATOM 1254 C MET A 85 2.712 14.136 -1.054 1.00 0.00 C ATOM 1255 O MET A 85 1.848 14.797 -1.629 1.00 0.00 O ATOM 1256 CB MET A 85 2.919 15.578 0.998 1.00 0.00 C ATOM 1257 CG MET A 85 3.263 14.914 2.330 1.00 0.00 C ATOM 1258 SD MET A 85 2.400 13.326 2.437 1.00 0.00 S ATOM 1259 CE MET A 85 2.451 13.161 4.238 1.00 0.00 C ATOM 0 H MET A 85 3.549 16.314 -1.651 1.00 0.00 H new ATOM 0 HA MET A 85 4.437 14.229 0.256 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.171 16.638 1.037 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.846 15.512 0.818 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.340 14.763 2.409 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.970 15.558 3.159 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.964 12.231 4.532 1.00 0.00 H new ATOM 0 HE2 MET A 85 3.488 13.149 4.573 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.932 14.003 4.695 1.00 0.00 H new ATOM 1269 N PRO A 86 2.818 12.819 -1.344 1.00 0.00 N ATOM 1270 CA PRO A 86 1.669 12.161 -2.028 1.00 0.00 C ATOM 1271 C PRO A 86 0.437 12.230 -1.122 1.00 0.00 C ATOM 1272 O PRO A 86 0.537 11.929 0.070 1.00 0.00 O ATOM 1273 CB PRO A 86 2.144 10.725 -2.275 1.00 0.00 C ATOM 1274 CG PRO A 86 3.626 10.734 -2.093 1.00 0.00 C ATOM 1275 CD PRO A 86 3.954 11.901 -1.155 1.00 0.00 C ATOM 0 HA PRO A 86 1.378 12.635 -2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.671 10.034 -1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.878 10.395 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.968 9.790 -1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.132 10.855 -3.051 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.038 11.573 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.901 12.374 -1.417 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.728 12.482 -1.714 1.00 0.00 N ATOM 1284 CA HIS A 87 -1.964 12.648 -0.954 1.00 0.00 C ATOM 1285 C HIS A 87 -3.151 12.378 -1.876 1.00 0.00 C ATOM 1286 O HIS A 87 -3.236 12.999 -2.936 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.029 14.067 -0.375 1.00 0.00 C ATOM 1288 CG HIS A 87 -3.061 14.133 0.719 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -4.416 14.232 0.451 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -2.985 13.824 2.053 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -5.067 13.688 1.495 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -4.235 13.414 2.503 1.00 0.00 N ATOM 0 H HIS A 87 -0.842 12.576 -2.723 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.994 11.942 -0.124 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.053 14.353 0.017 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.277 14.778 -1.163 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.094 13.889 2.659 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.130 13.497 1.515 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -4.466 12.996 3.404 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.156 11.660 -1.373 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.394 11.458 -2.122 1.00 0.00 C ATOM 1303 C ILE A 88 -6.584 11.857 -1.258 1.00 0.00 C ATOM 1304 O ILE A 88 -6.560 11.645 -0.045 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.538 10.010 -2.609 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.611 9.014 -1.443 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.332 9.698 -3.503 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.980 7.623 -1.974 1.00 0.00 C ATOM 0 H ILE A 88 -4.137 11.212 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.362 12.091 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.471 9.908 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.652 8.974 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.352 9.345 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.404 8.673 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.320 10.384 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.413 9.815 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.031 6.918 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.949 7.669 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.223 7.292 -2.685 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.611 12.420 -1.892 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.847 12.770 -1.198 1.00 0.00 C ATOM 1322 C VAL A 89 -10.002 11.968 -1.781 1.00 0.00 C ATOM 1323 O VAL A 89 -10.272 12.073 -2.965 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.113 14.279 -1.318 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.131 15.050 -0.429 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -8.957 14.746 -2.771 1.00 0.00 C ATOM 0 H VAL A 89 -7.611 12.644 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.751 12.527 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.136 14.474 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.323 16.119 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.261 14.742 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.110 14.837 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.150 15.817 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.943 14.540 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.668 14.213 -3.403 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.778 11.337 -0.900 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.833 10.416 -1.310 1.00 0.00 C ATOM 1338 C VAL A 90 -13.157 10.914 -0.757 1.00 0.00 C ATOM 1339 O VAL A 90 -13.354 10.873 0.453 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.549 9.012 -0.769 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.772 8.102 -0.947 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.345 8.429 -1.509 1.00 0.00 C ATOM 0 H VAL A 90 -10.693 11.450 0.110 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.873 10.370 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.331 9.076 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.547 7.110 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.620 8.522 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.019 8.027 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.135 7.429 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.565 8.375 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.476 9.067 -1.350 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.143 10.966 -1.643 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.502 11.288 -1.241 1.00 0.00 C ATOM 1354 C LYS A 91 -16.363 10.091 -1.607 1.00 0.00 C ATOM 1355 O LYS A 91 -16.409 9.760 -2.777 1.00 0.00 O ATOM 1356 CB LYS A 91 -16.059 12.529 -1.965 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.369 12.871 -3.299 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.918 13.349 -3.155 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.309 13.685 -4.517 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.903 14.126 -4.298 1.00 0.00 N ATOM 0 H LYS A 91 -14.026 10.790 -2.641 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.509 11.509 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.122 12.375 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.974 13.388 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.387 11.990 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.946 13.645 -3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.884 14.228 -2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.324 12.575 -2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.337 12.814 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.883 14.471 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.566 14.641 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.860 14.751 -3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.300 13.295 -4.137 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.114 9.526 -0.663 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.019 8.427 -0.994 1.00 0.00 C ATOM 1376 C CYS A 92 -19.441 8.908 -0.777 1.00 0.00 C ATOM 1377 O CYS A 92 -19.825 9.280 0.325 1.00 0.00 O ATOM 1378 CB CYS A 92 -17.711 7.186 -0.146 1.00 0.00 C ATOM 1379 SG CYS A 92 -19.189 6.189 0.212 1.00 0.00 S ATOM 0 H CYS A 92 -17.115 9.804 0.318 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.886 8.133 -2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -16.980 6.568 -0.667 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.253 7.498 0.793 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.258 8.703 -1.801 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.564 9.338 -1.906 1.00 0.00 C ATOM 1386 C LEU A 93 -22.430 8.879 -0.747 1.00 0.00 C ATOM 1387 O LEU A 93 -23.290 9.616 -0.256 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.198 9.009 -3.260 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.407 9.752 -4.348 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.781 9.268 -5.752 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.686 11.257 -4.255 1.00 0.00 C ATOM 0 H LEU A 93 -20.033 8.090 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.464 10.422 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.176 7.934 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.245 9.313 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.349 9.548 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -21.200 9.817 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.566 8.203 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.844 9.439 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.123 11.780 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.751 11.439 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.382 11.623 -3.274 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.295 7.597 -0.445 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.127 6.964 0.558 1.00 0.00 C ATOM 1405 C GLU A 94 -22.920 7.590 1.940 1.00 0.00 C ATOM 1406 O GLU A 94 -23.857 7.543 2.757 1.00 0.00 O ATOM 1407 CB GLU A 94 -22.846 5.458 0.602 1.00 0.00 C ATOM 1408 CG GLU A 94 -23.287 4.808 -0.715 1.00 0.00 C ATOM 1409 CD GLU A 94 -24.788 4.985 -0.954 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -25.510 5.230 0.002 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -25.126 5.249 -2.095 1.00 0.00 O ATOM 0 H GLU A 94 -21.615 6.976 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.169 7.124 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.783 5.282 0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.378 5.004 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -22.731 5.248 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.043 3.746 -0.697 1.00 0.00 H new ATOM 1418 N CYS A 95 -21.698 8.013 2.283 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.552 8.919 3.425 1.00 0.00 C ATOM 1420 C CYS A 95 -21.857 10.357 3.003 1.00 0.00 C ATOM 1421 O CYS A 95 -22.718 11.002 3.619 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.170 8.850 4.093 1.00 0.00 C ATOM 1423 SG CYS A 95 -18.827 8.581 2.913 1.00 0.00 S ATOM 0 H CYS A 95 -20.832 7.756 1.810 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.274 8.586 4.171 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -19.989 9.777 4.636 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.168 8.045 4.828 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.486 10.680 1.769 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.527 12.060 1.287 1.00 0.00 C ATOM 1430 C GLY A 96 -20.376 12.879 1.876 1.00 0.00 C ATOM 1431 O GLY A 96 -20.308 14.089 1.662 1.00 0.00 O ATOM 0 H GLY A 96 -21.152 10.005 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.467 12.071 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.479 12.516 1.558 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.391 12.175 2.434 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.289 12.781 3.187 1.00 0.00 C ATOM 1437 C HIS A 97 -16.952 12.539 2.506 1.00 0.00 C ATOM 1438 O HIS A 97 -16.777 11.553 1.792 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.209 12.271 4.633 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.314 12.901 5.424 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -20.613 12.460 5.297 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -19.326 13.793 6.466 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.328 12.984 6.300 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -20.564 13.725 7.103 1.00 0.00 N ATOM 0 H HIS A 97 -19.334 11.158 2.376 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.502 13.850 3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.299 11.185 4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.242 12.521 5.069 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -18.510 14.442 6.747 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -22.387 12.827 6.441 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -20.828 14.150 7.992 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.063 13.514 2.679 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.700 13.451 2.159 1.00 0.00 C ATOM 1455 C ILE A 98 -13.749 12.933 3.233 1.00 0.00 C ATOM 1456 O ILE A 98 -13.828 13.351 4.391 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.274 14.851 1.677 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -12.871 14.844 1.049 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.324 15.844 2.844 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.840 13.979 -0.211 1.00 0.00 C ATOM 0 H ILE A 98 -16.269 14.374 3.187 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.662 12.761 1.316 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.976 15.160 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.574 15.863 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.147 14.467 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.021 16.831 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.340 15.893 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.646 15.514 3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.836 13.991 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.114 12.955 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.547 14.373 -0.940 1.00 0.00 H new ATOM 1472 N MET A 99 -13.005 11.883 2.884 1.00 0.00 N ATOM 1473 CA MET A 99 -11.917 11.383 3.719 1.00 0.00 C ATOM 1474 C MET A 99 -10.596 11.629 3.009 1.00 0.00 C ATOM 1475 O MET A 99 -10.515 11.514 1.788 1.00 0.00 O ATOM 1476 CB MET A 99 -12.087 9.883 3.965 1.00 0.00 C ATOM 1477 CG MET A 99 -13.336 9.652 4.811 1.00 0.00 C ATOM 1478 SD MET A 99 -13.553 7.885 5.156 1.00 0.00 S ATOM 1479 CE MET A 99 -14.009 7.290 3.504 1.00 0.00 C ATOM 0 H MET A 99 -13.140 11.359 2.019 1.00 0.00 H new ATOM 0 HA MET A 99 -11.931 11.903 4.677 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.173 9.354 3.016 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.210 9.484 4.474 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.255 10.204 5.747 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.212 10.037 4.289 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.482 6.311 3.587 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.705 7.991 3.044 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.114 7.209 2.887 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.582 11.978 3.792 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.245 12.188 3.257 1.00 0.00 C ATOM 1491 C ARG A 100 -7.393 10.959 3.561 1.00 0.00 C ATOM 1492 O ARG A 100 -7.307 10.538 4.712 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.621 13.435 3.890 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.423 14.683 3.499 1.00 0.00 C ATOM 1495 CD ARG A 100 -7.857 15.920 4.198 1.00 0.00 C ATOM 1496 NE ARG A 100 -6.495 16.160 3.733 1.00 0.00 N ATOM 1497 CZ ARG A 100 -5.738 17.119 4.257 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -6.107 17.738 5.353 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -4.561 17.334 3.739 1.00 0.00 N ATOM 0 H ARG A 100 -9.662 12.121 4.799 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.297 12.337 2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.602 13.331 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.587 13.540 3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.390 14.821 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.470 14.551 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.483 16.788 3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.864 15.776 5.278 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.114 15.577 2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.982 17.485 5.812 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.519 18.472 5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.241 16.772 2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.961 18.064 4.123 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.653 10.505 2.554 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.725 9.394 2.727 1.00 0.00 C ATOM 1515 C TYR A 101 -4.318 9.847 2.345 1.00 0.00 C ATOM 1516 O TYR A 101 -4.085 10.193 1.187 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.151 8.230 1.829 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.631 7.079 2.680 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -5.700 6.381 3.451 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -7.882 6.500 2.434 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -6.108 5.298 4.230 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -8.275 5.362 3.149 1.00 0.00 C ATOM 1523 CZ TYR A 101 -7.397 4.779 4.071 1.00 0.00 C ATOM 1524 OH TYR A 101 -7.778 3.652 4.767 1.00 0.00 O ATOM 0 H TYR A 101 -6.678 10.890 1.610 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.732 9.069 3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.944 8.551 1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.313 7.911 1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.662 6.680 3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.542 6.930 1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -5.432 4.863 4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -9.254 4.935 2.990 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.705 3.426 4.542 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.494 10.190 3.346 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.046 10.481 3.134 1.00 0.00 C ATOM 1536 C PRO A 102 -1.314 9.251 2.602 1.00 0.00 C ATOM 1537 O PRO A 102 -1.624 8.128 2.999 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.535 10.861 4.527 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.755 11.141 5.344 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.850 10.245 4.773 1.00 0.00 C ATOM 0 HA PRO A 102 -1.881 11.268 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.949 10.052 4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.886 11.735 4.481 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.580 10.922 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.036 12.192 5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.847 9.256 5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.843 10.666 4.929 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.345 9.473 1.714 1.00 0.00 N ATOM 1549 CA TYR A 103 0.551 8.405 1.282 1.00 0.00 C ATOM 1550 C TYR A 103 1.993 8.902 1.216 1.00 0.00 C ATOM 1551 O TYR A 103 2.221 10.042 0.805 1.00 0.00 O ATOM 1552 CB TYR A 103 0.079 7.888 -0.079 1.00 0.00 C ATOM 1553 CG TYR A 103 0.976 6.765 -0.551 1.00 0.00 C ATOM 1554 CD1 TYR A 103 0.852 5.489 0.010 1.00 0.00 C ATOM 1555 CD2 TYR A 103 1.935 6.996 -1.545 1.00 0.00 C ATOM 1556 CE1 TYR A 103 1.835 4.527 -0.240 1.00 0.00 C ATOM 1557 CE2 TYR A 103 2.882 6.008 -1.844 1.00 0.00 C ATOM 1558 CZ TYR A 103 2.816 4.762 -1.207 1.00 0.00 C ATOM 1559 OH TYR A 103 3.640 3.733 -1.626 1.00 0.00 O ATOM 0 H TYR A 103 -0.162 10.379 1.283 1.00 0.00 H new ATOM 0 HA TYR A 103 0.526 7.589 2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.950 7.535 -0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.086 8.699 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.002 5.249 0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.944 7.934 -2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.836 3.601 0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.662 6.207 -2.564 1.00 0.00 H new ATOM 0 HH TYR A 103 4.390 4.102 -2.138 1.00 0.00 H new ATOM 1569 N ILE A 104 2.909 8.165 1.835 1.00 0.00 N ATOM 1570 CA ILE A 104 4.324 8.526 1.777 1.00 0.00 C ATOM 1571 C ILE A 104 5.127 7.407 1.118 1.00 0.00 C ATOM 1572 O ILE A 104 5.212 6.304 1.657 1.00 0.00 O ATOM 1573 CB ILE A 104 4.841 8.811 3.196 1.00 0.00 C ATOM 1574 CG1 ILE A 104 4.091 10.027 3.760 1.00 0.00 C ATOM 1575 CG2 ILE A 104 6.343 9.118 3.179 1.00 0.00 C ATOM 1576 CD1 ILE A 104 4.362 10.191 5.261 1.00 0.00 C ATOM 0 H ILE A 104 2.703 7.325 2.376 1.00 0.00 H new ATOM 0 HA ILE A 104 4.444 9.427 1.175 1.00 0.00 H new ATOM 0 HB ILE A 104 4.672 7.930 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.401 10.928 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.021 9.910 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.685 9.316 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.885 8.263 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.528 9.993 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.820 11.059 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.029 9.298 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.430 10.332 5.425 1.00 0.00 H new ATOM 1588 N LYS A 105 5.915 7.812 0.123 1.00 0.00 N ATOM 1589 CA LYS A 105 6.825 6.924 -0.604 1.00 0.00 C ATOM 1590 C LYS A 105 6.144 5.622 -1.030 1.00 0.00 C ATOM 1591 O LYS A 105 6.013 5.435 -2.229 1.00 0.00 O ATOM 1592 CB LYS A 105 8.062 6.617 0.246 1.00 0.00 C ATOM 1593 CG LYS A 105 8.912 7.876 0.415 1.00 0.00 C ATOM 1594 CD LYS A 105 10.142 7.567 1.270 1.00 0.00 C ATOM 1595 CE LYS A 105 11.018 8.816 1.345 1.00 0.00 C ATOM 1596 NZ LYS A 105 10.277 9.925 2.010 1.00 0.00 N ATOM 0 H LYS A 105 5.941 8.777 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 105 7.129 7.447 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.757 6.242 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.652 5.832 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.222 8.249 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.321 8.663 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 105 9.838 7.259 2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.703 6.738 0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 105 11.931 8.596 1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.318 9.119 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.949 10.658 2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 9.595 10.337 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.769 9.555 2.839 1.00 0.00 H new TER 1610 LYS A 105 HETATM 1611 ZN ZN A 124 -19.106 6.345 2.502 1.00 0.00 ZN