USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=15 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 Set 1.1: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 HIS : no HE2:sc= 0.765 K(o=0.76,f=-4.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 36:sc= 1.08 USER MOD Single : A 37 LYS NZ :NH3+ -131:sc= 1.19 (180deg=-0.792) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -4.28! K(o=-4.3!,f=-1.2) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc=-0.00362 (180deg=-0.252) 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+ 153:sc= 0.118 (180deg=0.0361) 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 67 HIS : no HE2:sc= 0.868 K(o=0.87,f=-3!) USER MOD Single : A 75 ASN : amide:sc= -7.12! C(o=-7.1!,f=-2.5!) USER MOD Single : A 82 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.42) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -131:sc= 0 (180deg=-0.00233) USER MOD Single : A 87 HIS : no HD1:sc= -2.74 K(o=-2.7,f=-6.8!) USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= 0.323 (180deg=0.224) USER MOD Single : A 99 MET CE :methyl 138:sc= -0.177 (180deg=-1.15) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 114:sc= 0.1 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 -19.494 -16.688 4.152 1.00 0.00 N ATOM 2 CA LYS A 15 -18.421 -17.261 3.293 1.00 0.00 C ATOM 3 C LYS A 15 -18.979 -17.411 1.879 1.00 0.00 C ATOM 4 O LYS A 15 -19.041 -16.422 1.147 1.00 0.00 O ATOM 5 CB LYS A 15 -17.949 -18.592 3.891 1.00 0.00 C ATOM 6 CG LYS A 15 -16.761 -19.154 3.103 1.00 0.00 C ATOM 7 CD LYS A 15 -16.267 -20.449 3.757 1.00 0.00 C ATOM 8 CE LYS A 15 -15.059 -20.996 2.991 1.00 0.00 C ATOM 9 NZ LYS A 15 -14.564 -22.233 3.663 1.00 0.00 N ATOM 0 HA LYS A 15 -17.549 -16.609 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.663 -18.446 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.769 -19.310 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.056 -19.347 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.955 -18.421 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.994 -20.260 4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.067 -21.189 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.337 -21.215 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.268 -20.247 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.744 -22.606 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.283 -22.009 4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.320 -22.948 3.675 1.00 0.00 H new ATOM 23 N GLU A 16 -19.596 -18.559 1.594 1.00 0.00 N ATOM 24 CA GLU A 16 -20.140 -18.816 0.261 1.00 0.00 C ATOM 25 C GLU A 16 -21.297 -17.879 -0.065 1.00 0.00 C ATOM 26 O GLU A 16 -21.410 -17.386 -1.193 1.00 0.00 O ATOM 27 CB GLU A 16 -20.651 -20.259 0.162 1.00 0.00 C ATOM 28 CG GLU A 16 -19.483 -21.250 0.242 1.00 0.00 C ATOM 29 CD GLU A 16 -19.980 -22.698 0.231 1.00 0.00 C ATOM 30 OE1 GLU A 16 -21.180 -22.918 0.162 1.00 0.00 O ATOM 31 OE2 GLU A 16 -19.150 -23.578 0.377 1.00 0.00 O ATOM 0 H GLU A 16 -19.730 -19.318 2.262 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.331 -18.647 -0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.359 -20.456 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.189 -20.397 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.808 -21.089 -0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.910 -21.067 1.151 1.00 0.00 H new ATOM 38 N ARG A 17 -22.142 -17.616 0.928 1.00 0.00 N ATOM 39 CA ARG A 17 -23.211 -16.632 0.783 1.00 0.00 C ATOM 40 C ARG A 17 -22.667 -15.230 0.513 1.00 0.00 C ATOM 41 O ARG A 17 -23.217 -14.497 -0.306 1.00 0.00 O ATOM 42 CB ARG A 17 -24.013 -16.602 2.083 1.00 0.00 C ATOM 43 CG ARG A 17 -25.197 -15.640 1.960 1.00 0.00 C ATOM 44 CD ARG A 17 -25.957 -15.618 3.284 1.00 0.00 C ATOM 45 NE ARG A 17 -27.174 -14.823 3.156 1.00 0.00 N ATOM 46 CZ ARG A 17 -27.986 -14.626 4.184 1.00 0.00 C ATOM 47 NH1 ARG A 17 -27.624 -14.999 5.386 1.00 0.00 N ATOM 48 NH2 ARG A 17 -29.061 -13.908 4.003 1.00 0.00 N ATOM 0 H ARG A 17 -22.108 -18.070 1.841 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.830 -16.921 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -24.373 -17.603 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.370 -16.293 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.845 -14.639 1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.857 -15.956 1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -26.209 -16.635 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -25.324 -15.202 4.068 1.00 0.00 H new ATOM 0 HE ARG A 17 -27.405 -14.409 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -26.716 -15.441 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -28.250 -14.847 6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -29.261 -13.512 3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -29.701 -13.743 4.780 1.00 0.00 H new ATOM 62 N ILE A 18 -21.617 -14.853 1.251 1.00 0.00 N ATOM 63 CA ILE A 18 -20.971 -13.559 1.072 1.00 0.00 C ATOM 64 C ILE A 18 -20.349 -13.473 -0.319 1.00 0.00 C ATOM 65 O ILE A 18 -20.334 -12.408 -0.939 1.00 0.00 O ATOM 66 CB ILE A 18 -19.928 -13.345 2.174 1.00 0.00 C ATOM 67 CG1 ILE A 18 -20.657 -13.194 3.518 1.00 0.00 C ATOM 68 CG2 ILE A 18 -19.081 -12.097 1.883 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.658 -13.266 4.675 1.00 0.00 C ATOM 0 H ILE A 18 -21.199 -15.432 1.979 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.712 -12.764 1.152 1.00 0.00 H new ATOM 0 HB ILE A 18 -19.256 -14.203 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -21.189 -12.243 3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -21.404 -13.980 3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.346 -11.963 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.567 -12.220 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -19.728 -11.221 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -20.188 -13.158 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.146 -14.228 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.927 -12.464 4.575 1.00 0.00 H new ATOM 81 N ASP A 19 -19.676 -14.550 -0.721 1.00 0.00 N ATOM 82 CA ASP A 19 -19.006 -14.601 -2.011 1.00 0.00 C ATOM 83 C ASP A 19 -20.016 -14.486 -3.165 1.00 0.00 C ATOM 84 O ASP A 19 -19.739 -13.815 -4.166 1.00 0.00 O ATOM 85 CB ASP A 19 -18.212 -15.914 -2.113 1.00 0.00 C ATOM 86 CG ASP A 19 -16.823 -15.778 -1.489 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.340 -14.664 -1.342 1.00 0.00 O ATOM 88 OD2 ASP A 19 -16.138 -16.795 -1.424 1.00 0.00 O ATOM 0 H ASP A 19 -19.583 -15.401 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.323 -13.755 -2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.760 -16.712 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.115 -16.202 -3.160 1.00 0.00 H new ATOM 93 N ILE A 20 -21.174 -15.135 -3.007 1.00 0.00 N ATOM 94 CA ILE A 20 -22.288 -14.924 -3.924 1.00 0.00 C ATOM 95 C ILE A 20 -22.817 -13.485 -3.851 1.00 0.00 C ATOM 96 O ILE A 20 -23.027 -12.842 -4.873 1.00 0.00 O ATOM 97 CB ILE A 20 -23.425 -15.908 -3.589 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.999 -17.357 -3.912 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.696 -15.558 -4.384 1.00 0.00 C ATOM 100 CD1 ILE A 20 -22.709 -17.557 -5.405 1.00 0.00 C ATOM 0 H ILE A 20 -21.359 -15.803 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.927 -15.099 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.638 -15.827 -2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -22.110 -17.610 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -23.787 -18.043 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.488 -16.264 -4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -25.017 -14.548 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.484 -15.614 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -22.413 -18.591 -5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -23.605 -17.331 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -21.902 -16.891 -5.711 1.00 0.00 H new ATOM 112 N LEU A 21 -22.931 -12.974 -2.630 1.00 0.00 N ATOM 113 CA LEU A 21 -23.421 -11.617 -2.391 1.00 0.00 C ATOM 114 C LEU A 21 -22.459 -10.612 -3.021 1.00 0.00 C ATOM 115 O LEU A 21 -22.871 -9.542 -3.483 1.00 0.00 O ATOM 116 CB LEU A 21 -23.601 -11.360 -0.889 1.00 0.00 C ATOM 117 CG LEU A 21 -24.102 -9.932 -0.634 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.400 -9.675 -1.407 1.00 0.00 C ATOM 119 CD2 LEU A 21 -24.371 -9.773 0.867 1.00 0.00 C ATOM 0 H LEU A 21 -22.688 -13.484 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.400 -11.499 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -24.310 -12.078 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.653 -11.515 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 21 -23.349 -9.219 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -25.742 -8.658 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -25.219 -9.802 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -26.163 -10.382 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -24.728 -8.763 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.126 -10.494 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -23.450 -9.949 1.422 1.00 0.00 H new ATOM 131 N PHE A 22 -21.170 -10.907 -2.910 1.00 0.00 N ATOM 132 CA PHE A 22 -20.107 -10.026 -3.398 1.00 0.00 C ATOM 133 C PHE A 22 -20.265 -9.757 -4.896 1.00 0.00 C ATOM 134 O PHE A 22 -20.050 -8.637 -5.345 1.00 0.00 O ATOM 135 CB PHE A 22 -18.757 -10.696 -3.132 1.00 0.00 C ATOM 136 CG PHE A 22 -17.616 -9.862 -3.674 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.132 -8.747 -2.969 1.00 0.00 C ATOM 138 CD2 PHE A 22 -17.067 -10.187 -4.923 1.00 0.00 C ATOM 139 CE1 PHE A 22 -16.016 -8.054 -3.457 1.00 0.00 C ATOM 140 CE2 PHE A 22 -16.072 -9.382 -5.479 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.476 -8.383 -4.704 1.00 0.00 C ATOM 0 H PHE A 22 -20.827 -11.765 -2.478 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.166 -9.071 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.626 -10.843 -2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.741 -11.683 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.616 -8.427 -2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.414 -11.061 -5.455 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.572 -7.264 -2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.764 -9.530 -6.503 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.600 -7.866 -5.068 1.00 0.00 H new ATOM 151 N SER A 23 -20.527 -10.805 -5.666 1.00 0.00 N ATOM 152 CA SER A 23 -20.797 -10.673 -7.097 1.00 0.00 C ATOM 153 C SER A 23 -22.021 -9.792 -7.347 1.00 0.00 C ATOM 154 O SER A 23 -22.059 -9.049 -8.329 1.00 0.00 O ATOM 155 CB SER A 23 -21.022 -12.060 -7.700 1.00 0.00 C ATOM 156 OG SER A 23 -21.603 -11.949 -8.997 1.00 0.00 O ATOM 0 H SER A 23 -20.559 -11.765 -5.322 1.00 0.00 H new ATOM 0 HA SER A 23 -19.938 -10.199 -7.571 1.00 0.00 H new ATOM 0 HB2 SER A 23 -20.074 -12.594 -7.764 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.674 -12.644 -7.051 1.00 0.00 H new ATOM 0 HG SER A 23 -21.740 -12.844 -9.372 1.00 0.00 H new ATOM 162 N LEU A 24 -23.082 -10.017 -6.563 1.00 0.00 N ATOM 163 CA LEU A 24 -24.277 -9.182 -6.661 1.00 0.00 C ATOM 164 C LEU A 24 -23.978 -7.730 -6.293 1.00 0.00 C ATOM 165 O LEU A 24 -24.387 -6.804 -6.998 1.00 0.00 O ATOM 166 CB LEU A 24 -25.370 -9.704 -5.722 1.00 0.00 C ATOM 167 CG LEU A 24 -25.918 -11.037 -6.238 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.789 -11.665 -5.147 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.744 -10.836 -7.513 1.00 0.00 C ATOM 0 H LEU A 24 -23.135 -10.759 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.615 -9.225 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.966 -9.833 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -26.177 -8.974 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.084 -11.695 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.186 -12.616 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.188 -11.833 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.614 -10.993 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -27.121 -11.799 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.583 -10.172 -7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -26.117 -10.394 -8.287 1.00 0.00 H new ATOM 181 N ALA A 25 -23.185 -7.550 -5.240 1.00 0.00 N ATOM 182 CA ALA A 25 -22.805 -6.216 -4.793 1.00 0.00 C ATOM 183 C ALA A 25 -21.992 -5.513 -5.872 1.00 0.00 C ATOM 184 O ALA A 25 -21.928 -4.289 -5.891 1.00 0.00 O ATOM 185 CB ALA A 25 -21.998 -6.322 -3.494 1.00 0.00 C ATOM 0 H ALA A 25 -22.795 -8.310 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.703 -5.628 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.714 -5.324 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.605 -6.803 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -21.100 -6.915 -3.671 1.00 0.00 H new ATOM 191 N GLU A 26 -21.150 -6.288 -6.545 1.00 0.00 N ATOM 192 CA GLU A 26 -20.281 -5.728 -7.574 1.00 0.00 C ATOM 193 C GLU A 26 -21.082 -5.216 -8.774 1.00 0.00 C ATOM 194 O GLU A 26 -20.615 -4.307 -9.458 1.00 0.00 O ATOM 195 CB GLU A 26 -19.270 -6.785 -8.035 1.00 0.00 C ATOM 196 CG GLU A 26 -18.296 -6.195 -9.063 1.00 0.00 C ATOM 197 CD GLU A 26 -17.271 -7.241 -9.491 1.00 0.00 C ATOM 198 OE1 GLU A 26 -17.603 -8.417 -9.466 1.00 0.00 O ATOM 199 OE2 GLU A 26 -16.299 -6.843 -10.112 1.00 0.00 O ATOM 0 H GLU A 26 -21.050 -7.293 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.753 -4.880 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.715 -7.163 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.797 -7.633 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.848 -5.841 -9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.786 -5.332 -8.636 1.00 0.00 H new ATOM 206 N ARG A 27 -22.100 -5.970 -9.191 1.00 0.00 N ATOM 207 CA ARG A 27 -22.959 -5.525 -10.291 1.00 0.00 C ATOM 208 C ARG A 27 -23.757 -4.265 -9.959 1.00 0.00 C ATOM 209 O ARG A 27 -23.643 -3.270 -10.671 1.00 0.00 O ATOM 210 CB ARG A 27 -23.952 -6.619 -10.686 1.00 0.00 C ATOM 211 CG ARG A 27 -24.766 -6.122 -11.887 1.00 0.00 C ATOM 212 CD ARG A 27 -25.803 -7.172 -12.280 1.00 0.00 C ATOM 213 NE ARG A 27 -26.477 -6.767 -13.512 1.00 0.00 N ATOM 214 CZ ARG A 27 -27.551 -5.986 -13.501 1.00 0.00 C ATOM 215 NH1 ARG A 27 -28.025 -5.511 -12.383 1.00 0.00 N ATOM 216 NH2 ARG A 27 -28.188 -5.755 -14.617 1.00 0.00 N ATOM 0 H ARG A 27 -22.348 -6.876 -8.793 1.00 0.00 H new ATOM 0 HA ARG A 27 -22.281 -5.300 -11.114 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.423 -7.538 -10.940 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -24.612 -6.852 -9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -25.262 -5.183 -11.639 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -24.103 -5.920 -12.728 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -25.320 -8.139 -12.420 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -26.532 -7.294 -11.479 1.00 0.00 H new ATOM 0 HE ARG A 27 -26.112 -7.094 -14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -27.570 -5.738 -11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -28.851 -4.913 -12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -27.860 -6.173 -15.488 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -29.014 -5.156 -14.618 1.00 0.00 H new ATOM 230 N VAL A 28 -24.335 -4.224 -8.757 1.00 0.00 N ATOM 231 CA VAL A 28 -25.125 -3.066 -8.327 1.00 0.00 C ATOM 232 C VAL A 28 -24.227 -1.839 -8.213 1.00 0.00 C ATOM 233 O VAL A 28 -24.601 -0.721 -8.567 1.00 0.00 O ATOM 234 CB VAL A 28 -25.861 -3.368 -7.012 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.866 -3.714 -5.904 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.739 -2.181 -6.587 1.00 0.00 C ATOM 0 H VAL A 28 -24.273 -4.973 -8.067 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.888 -2.853 -9.076 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.508 -4.229 -7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.407 -3.924 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.289 -4.592 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.191 -2.873 -5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.249 -2.421 -5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -26.114 -1.300 -6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.478 -1.979 -7.362 1.00 0.00 H new ATOM 246 N PHE A 29 -23.026 -2.099 -7.715 1.00 0.00 N ATOM 247 CA PHE A 29 -22.097 -1.058 -7.310 1.00 0.00 C ATOM 248 C PHE A 29 -21.944 0.043 -8.369 1.00 0.00 C ATOM 249 O PHE A 29 -22.225 1.203 -8.084 1.00 0.00 O ATOM 250 CB PHE A 29 -20.778 -1.760 -6.959 1.00 0.00 C ATOM 251 CG PHE A 29 -19.604 -0.824 -6.852 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.734 0.334 -6.079 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.335 -1.423 -6.938 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.608 1.114 -5.834 1.00 0.00 C ATOM 255 CE2 PHE A 29 -17.207 -0.729 -6.486 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.345 0.547 -5.940 1.00 0.00 C ATOM 0 H PHE A 29 -22.668 -3.045 -7.581 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.473 -0.521 -6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.898 -2.288 -6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.564 -2.512 -7.718 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.695 0.619 -5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.231 -2.415 -7.351 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.716 2.154 -5.563 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.229 -1.182 -6.560 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.475 1.090 -5.602 1.00 0.00 H new ATOM 266 N PRO A 30 -21.522 -0.281 -9.609 1.00 0.00 N ATOM 267 CA PRO A 30 -21.514 0.695 -10.747 1.00 0.00 C ATOM 268 C PRO A 30 -22.884 1.250 -11.144 1.00 0.00 C ATOM 269 O PRO A 30 -22.963 2.370 -11.652 1.00 0.00 O ATOM 270 CB PRO A 30 -20.942 -0.123 -11.910 1.00 0.00 C ATOM 271 CG PRO A 30 -21.245 -1.545 -11.576 1.00 0.00 C ATOM 272 CD PRO A 30 -21.143 -1.630 -10.056 1.00 0.00 C ATOM 0 HA PRO A 30 -20.945 1.582 -10.467 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -21.400 0.165 -12.856 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.869 0.037 -12.013 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -22.240 -1.827 -11.920 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -20.538 -2.221 -12.056 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.812 -2.389 -9.651 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -20.134 -1.890 -9.736 1.00 0.00 H new ATOM 280 N TYR A 31 -23.941 0.445 -11.016 1.00 0.00 N ATOM 281 CA TYR A 31 -25.287 0.935 -11.321 1.00 0.00 C ATOM 282 C TYR A 31 -25.773 2.024 -10.367 1.00 0.00 C ATOM 283 O TYR A 31 -26.511 2.918 -10.772 1.00 0.00 O ATOM 284 CB TYR A 31 -26.316 -0.197 -11.421 1.00 0.00 C ATOM 285 CG TYR A 31 -26.117 -0.958 -12.712 1.00 0.00 C ATOM 286 CD1 TYR A 31 -26.412 -0.311 -13.923 1.00 0.00 C ATOM 287 CD2 TYR A 31 -25.502 -2.222 -12.725 1.00 0.00 C ATOM 288 CE1 TYR A 31 -26.198 -0.964 -15.138 1.00 0.00 C ATOM 289 CE2 TYR A 31 -25.300 -2.870 -13.953 1.00 0.00 C ATOM 290 CZ TYR A 31 -25.770 -2.294 -15.140 1.00 0.00 C ATOM 291 OH TYR A 31 -25.561 -2.933 -16.343 1.00 0.00 O ATOM 0 H TYR A 31 -23.895 -0.527 -10.710 1.00 0.00 H new ATOM 0 HA TYR A 31 -25.197 1.396 -12.305 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -26.212 -0.871 -10.571 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -27.325 0.212 -11.381 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.806 0.695 -13.914 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -25.189 -2.688 -11.802 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -26.362 -0.445 -16.071 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -24.780 -3.816 -13.983 1.00 0.00 H new ATOM 0 HH TYR A 31 -25.264 -3.852 -16.178 1.00 0.00 H new ATOM 301 N SER A 32 -25.527 1.836 -9.078 1.00 0.00 N ATOM 302 CA SER A 32 -26.095 2.718 -8.061 1.00 0.00 C ATOM 303 C SER A 32 -25.362 2.530 -6.729 1.00 0.00 C ATOM 304 O SER A 32 -25.556 1.514 -6.056 1.00 0.00 O ATOM 305 CB SER A 32 -27.591 2.430 -7.862 1.00 0.00 C ATOM 306 OG SER A 32 -28.376 3.173 -8.783 1.00 0.00 O ATOM 0 H SER A 32 -24.942 1.086 -8.710 1.00 0.00 H new ATOM 0 HA SER A 32 -25.975 3.746 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.781 1.365 -7.992 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.882 2.683 -6.843 1.00 0.00 H new ATOM 0 HG SER A 32 -27.903 3.237 -9.639 1.00 0.00 H new ATOM 312 N PRO A 33 -24.639 3.568 -6.258 1.00 0.00 N ATOM 313 CA PRO A 33 -24.005 3.578 -4.904 1.00 0.00 C ATOM 314 C PRO A 33 -25.014 3.335 -3.784 1.00 0.00 C ATOM 315 O PRO A 33 -24.804 2.447 -2.957 1.00 0.00 O ATOM 316 CB PRO A 33 -23.400 4.982 -4.799 1.00 0.00 C ATOM 317 CG PRO A 33 -23.172 5.411 -6.210 1.00 0.00 C ATOM 318 CD PRO A 33 -24.308 4.790 -7.018 1.00 0.00 C ATOM 0 HA PRO A 33 -23.271 2.780 -4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.075 5.665 -4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.467 4.969 -4.235 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.179 6.498 -6.295 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.202 5.069 -6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.163 5.462 -7.091 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.997 4.558 -8.037 1.00 0.00 H new ATOM 326 N GLU A 34 -26.213 3.895 -3.944 1.00 0.00 N ATOM 327 CA GLU A 34 -27.268 3.705 -2.946 1.00 0.00 C ATOM 328 C GLU A 34 -27.748 2.259 -2.862 1.00 0.00 C ATOM 329 O GLU A 34 -28.017 1.755 -1.767 1.00 0.00 O ATOM 330 CB GLU A 34 -28.483 4.580 -3.275 1.00 0.00 C ATOM 331 CG GLU A 34 -28.130 6.062 -3.094 1.00 0.00 C ATOM 332 CD GLU A 34 -29.291 6.977 -3.493 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.326 6.486 -3.920 1.00 0.00 O ATOM 334 OE2 GLU A 34 -29.162 8.167 -3.252 1.00 0.00 O ATOM 0 H GLU A 34 -26.477 4.475 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.828 3.986 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.805 4.398 -4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.318 4.315 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.862 6.247 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -27.254 6.303 -3.696 1.00 0.00 H new ATOM 341 N LEU A 35 -27.972 1.648 -4.022 1.00 0.00 N ATOM 342 CA LEU A 35 -28.406 0.251 -4.073 1.00 0.00 C ATOM 343 C LEU A 35 -27.344 -0.687 -3.502 1.00 0.00 C ATOM 344 O LEU A 35 -27.605 -1.412 -2.543 1.00 0.00 O ATOM 345 CB LEU A 35 -28.772 -0.139 -5.508 1.00 0.00 C ATOM 346 CG LEU A 35 -30.057 0.571 -5.957 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.263 0.359 -7.460 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.264 0.018 -5.196 1.00 0.00 C ATOM 0 H LEU A 35 -27.862 2.092 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.294 0.150 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.954 0.121 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.907 -1.219 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.962 1.636 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -31.176 0.864 -7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.413 0.770 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.347 -0.708 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.168 0.531 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.361 -1.050 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.125 0.178 -4.127 1.00 0.00 H new ATOM 360 N ALA A 36 -26.103 -0.385 -3.868 1.00 0.00 N ATOM 361 CA ALA A 36 -24.927 -1.116 -3.396 1.00 0.00 C ATOM 362 C ALA A 36 -24.785 -0.987 -1.882 1.00 0.00 C ATOM 363 O ALA A 36 -24.155 -1.821 -1.231 1.00 0.00 O ATOM 364 CB ALA A 36 -23.675 -0.586 -4.095 1.00 0.00 C ATOM 0 H ALA A 36 -25.881 0.380 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.050 -2.172 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.801 -1.133 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.775 -0.720 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.555 0.474 -3.871 1.00 0.00 H new ATOM 370 N LYS A 37 -25.171 0.186 -1.390 1.00 0.00 N ATOM 371 CA LYS A 37 -25.082 0.499 0.034 1.00 0.00 C ATOM 372 C LYS A 37 -25.913 -0.508 0.825 1.00 0.00 C ATOM 373 O LYS A 37 -25.361 -1.240 1.649 1.00 0.00 O ATOM 374 CB LYS A 37 -25.679 1.909 0.197 1.00 0.00 C ATOM 375 CG LYS A 37 -25.271 2.659 1.475 1.00 0.00 C ATOM 376 CD LYS A 37 -25.838 1.983 2.732 1.00 0.00 C ATOM 377 CE LYS A 37 -25.442 2.805 3.959 1.00 0.00 C ATOM 378 NZ LYS A 37 -26.027 2.182 5.186 1.00 0.00 N ATOM 0 H LYS A 37 -25.551 0.941 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.055 0.456 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.387 2.510 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.766 1.829 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -24.184 2.700 1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -25.626 3.688 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -26.923 1.908 2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -25.454 0.967 2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -24.356 2.851 4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.798 3.830 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -26.506 2.912 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -26.714 1.451 4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -25.269 1.749 5.751 1.00 0.00 H new ATOM 392 N ARG A 38 -27.125 -0.778 0.336 1.00 0.00 N ATOM 393 CA ARG A 38 -27.977 -1.775 0.978 1.00 0.00 C ATOM 394 C ARG A 38 -27.400 -3.192 0.894 1.00 0.00 C ATOM 395 O ARG A 38 -27.383 -3.918 1.889 1.00 0.00 O ATOM 396 CB ARG A 38 -29.364 -1.744 0.333 1.00 0.00 C ATOM 397 CG ARG A 38 -30.085 -0.459 0.746 1.00 0.00 C ATOM 398 CD ARG A 38 -31.457 -0.385 0.072 1.00 0.00 C ATOM 399 NE ARG A 38 -32.165 0.827 0.473 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.375 1.119 0.013 1.00 0.00 C ATOM 401 NH1 ARG A 38 -34.003 0.293 -0.775 1.00 0.00 N ATOM 402 NH2 ARG A 38 -33.948 2.220 0.405 1.00 0.00 N ATOM 0 H ARG A 38 -27.531 -0.330 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.039 -1.519 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.274 -1.792 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -29.942 -2.615 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.202 -0.430 1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.487 0.408 0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.337 -0.400 -1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.047 -1.262 0.339 1.00 0.00 H new ATOM 0 HE ARG A 38 -31.716 1.469 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -33.565 -0.588 -1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -34.933 0.527 -1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -33.467 2.842 1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -34.878 2.461 0.062 1.00 0.00 H new ATOM 416 N TYR A 39 -26.885 -3.572 -0.277 1.00 0.00 N ATOM 417 CA TYR A 39 -26.343 -4.919 -0.465 1.00 0.00 C ATOM 418 C TYR A 39 -25.122 -5.211 0.403 1.00 0.00 C ATOM 419 O TYR A 39 -24.976 -6.316 0.928 1.00 0.00 O ATOM 420 CB TYR A 39 -26.013 -5.171 -1.937 1.00 0.00 C ATOM 421 CG TYR A 39 -27.297 -5.282 -2.729 1.00 0.00 C ATOM 422 CD1 TYR A 39 -27.993 -6.498 -2.720 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.693 -4.264 -3.609 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.173 -6.634 -3.465 1.00 0.00 C ATOM 425 CE2 TYR A 39 -28.914 -4.368 -4.295 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.665 -5.547 -4.199 1.00 0.00 C ATOM 427 OH TYR A 39 -30.828 -5.684 -4.927 1.00 0.00 O ATOM 0 H TYR A 39 -26.832 -2.973 -1.101 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.127 -5.604 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.401 -4.358 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.430 -6.086 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -27.621 -7.330 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.060 -3.402 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -29.702 -7.576 -3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.272 -3.543 -4.893 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.033 -4.838 -5.378 1.00 0.00 H new ATOM 437 N VAL A 40 -24.186 -4.265 0.441 1.00 0.00 N ATOM 438 CA VAL A 40 -22.992 -4.399 1.278 1.00 0.00 C ATOM 439 C VAL A 40 -23.367 -4.422 2.753 1.00 0.00 C ATOM 440 O VAL A 40 -22.707 -5.080 3.560 1.00 0.00 O ATOM 441 CB VAL A 40 -22.002 -3.266 0.990 1.00 0.00 C ATOM 442 CG1 VAL A 40 -20.852 -3.267 2.005 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.419 -3.422 -0.418 1.00 0.00 C ATOM 0 H VAL A 40 -24.229 -3.399 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.510 -5.346 1.035 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.544 -2.323 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.164 -2.453 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.253 -3.132 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.320 -4.217 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -20.717 -2.612 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -20.900 -4.378 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.225 -3.388 -1.151 1.00 0.00 H new ATOM 453 N GLU A 41 -24.267 -3.514 3.112 1.00 0.00 N ATOM 454 CA GLU A 41 -24.586 -3.266 4.513 1.00 0.00 C ATOM 455 C GLU A 41 -25.205 -4.534 5.098 1.00 0.00 C ATOM 456 O GLU A 41 -24.619 -5.141 5.994 1.00 0.00 O ATOM 457 CB GLU A 41 -25.646 -2.166 4.566 1.00 0.00 C ATOM 458 CG GLU A 41 -25.953 -1.758 6.012 1.00 0.00 C ATOM 459 CD GLU A 41 -27.062 -0.706 6.044 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.367 -0.170 4.993 1.00 0.00 O ATOM 461 OE2 GLU A 41 -27.245 -0.147 7.110 1.00 0.00 O ATOM 0 H GLU A 41 -24.789 -2.937 2.452 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.691 -2.981 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.300 -1.297 4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.559 -2.514 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -26.256 -2.633 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.054 -1.362 6.484 1.00 0.00 H new ATOM 468 N LEU A 42 -25.995 -5.142 4.223 1.00 0.00 N ATOM 469 CA LEU A 42 -26.518 -6.491 4.401 1.00 0.00 C ATOM 470 C LEU A 42 -25.384 -7.514 4.469 1.00 0.00 C ATOM 471 O LEU A 42 -25.423 -8.422 5.300 1.00 0.00 O ATOM 472 CB LEU A 42 -27.435 -6.788 3.203 1.00 0.00 C ATOM 473 CG LEU A 42 -27.943 -8.232 3.189 1.00 0.00 C ATOM 474 CD1 LEU A 42 -28.736 -8.530 4.466 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.827 -8.424 1.953 1.00 0.00 C ATOM 0 H LEU A 42 -26.296 -4.703 3.353 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.070 -6.560 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.287 -6.108 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -26.893 -6.589 2.278 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.100 -8.921 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.091 -9.560 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.093 -8.388 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -29.589 -7.854 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.198 -9.449 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.669 -7.734 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.243 -8.226 1.054 1.00 0.00 H new ATOM 487 N ALA A 43 -24.382 -7.361 3.609 1.00 0.00 N ATOM 488 CA ALA A 43 -23.241 -8.276 3.625 1.00 0.00 C ATOM 489 C ALA A 43 -22.482 -8.191 4.951 1.00 0.00 C ATOM 490 O ALA A 43 -21.970 -9.198 5.441 1.00 0.00 O ATOM 491 CB ALA A 43 -22.276 -7.969 2.473 1.00 0.00 C ATOM 0 H ALA A 43 -24.334 -6.626 2.903 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.636 -9.285 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.436 -8.663 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -22.798 -8.077 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -21.907 -6.948 2.570 1.00 0.00 H new ATOM 497 N LEU A 44 -22.338 -6.978 5.477 1.00 0.00 N ATOM 498 CA LEU A 44 -21.688 -6.782 6.771 1.00 0.00 C ATOM 499 C LEU A 44 -22.457 -7.454 7.907 1.00 0.00 C ATOM 500 O LEU A 44 -21.855 -8.103 8.762 1.00 0.00 O ATOM 501 CB LEU A 44 -21.519 -5.284 7.055 1.00 0.00 C ATOM 502 CG LEU A 44 -20.282 -4.677 6.365 1.00 0.00 C ATOM 503 CD1 LEU A 44 -19.156 -4.523 7.391 1.00 0.00 C ATOM 504 CD2 LEU A 44 -19.772 -5.508 5.182 1.00 0.00 C ATOM 0 H LEU A 44 -22.660 -6.119 5.031 1.00 0.00 H new ATOM 0 HA LEU A 44 -20.706 -7.253 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.411 -4.754 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.440 -5.130 8.131 1.00 0.00 H new ATOM 0 HG LEU A 44 -20.589 -3.711 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.279 -4.094 6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.485 -3.865 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.902 -5.500 7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -18.900 -5.021 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.496 -6.504 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -20.557 -5.591 4.430 1.00 0.00 H new ATOM 516 N LEU A 45 -23.782 -7.343 7.881 1.00 0.00 N ATOM 517 CA LEU A 45 -24.632 -8.058 8.832 1.00 0.00 C ATOM 518 C LEU A 45 -24.481 -9.566 8.670 1.00 0.00 C ATOM 519 O LEU A 45 -24.679 -10.306 9.631 1.00 0.00 O ATOM 520 CB LEU A 45 -26.111 -7.686 8.654 1.00 0.00 C ATOM 521 CG LEU A 45 -26.443 -6.380 9.392 1.00 0.00 C ATOM 522 CD1 LEU A 45 -25.700 -5.183 8.792 1.00 0.00 C ATOM 523 CD2 LEU A 45 -27.953 -6.134 9.330 1.00 0.00 C ATOM 0 H LEU A 45 -24.292 -6.765 7.212 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.308 -7.763 9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.337 -7.576 7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -26.740 -8.492 9.032 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.120 -6.485 10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.962 -4.279 9.342 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.625 -5.351 8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.983 -5.066 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -28.193 -5.208 9.853 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.266 -6.055 8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -28.477 -6.964 9.804 1.00 0.00 H new ATOM 535 N VAL A 46 -24.419 -10.004 7.419 1.00 0.00 N ATOM 536 CA VAL A 46 -24.214 -11.418 7.118 1.00 0.00 C ATOM 537 C VAL A 46 -22.857 -11.870 7.657 1.00 0.00 C ATOM 538 O VAL A 46 -22.756 -12.941 8.242 1.00 0.00 O ATOM 539 CB VAL A 46 -24.315 -11.650 5.601 1.00 0.00 C ATOM 540 CG1 VAL A 46 -23.893 -13.083 5.231 1.00 0.00 C ATOM 541 CG2 VAL A 46 -25.758 -11.400 5.135 1.00 0.00 C ATOM 0 H VAL A 46 -24.507 -9.405 6.598 1.00 0.00 H new ATOM 0 HA VAL A 46 -24.989 -12.011 7.604 1.00 0.00 H new ATOM 0 HB VAL A 46 -23.640 -10.954 5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -23.974 -13.219 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.862 -13.250 5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -24.544 -13.796 5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -25.827 -11.565 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.431 -12.085 5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.041 -10.372 5.363 1.00 0.00 H new ATOM 551 N GLN A 47 -21.823 -11.067 7.430 1.00 0.00 N ATOM 552 CA GLN A 47 -20.464 -11.483 7.771 1.00 0.00 C ATOM 553 C GLN A 47 -20.278 -11.688 9.272 1.00 0.00 C ATOM 554 O GLN A 47 -19.588 -12.620 9.689 1.00 0.00 O ATOM 555 CB GLN A 47 -19.493 -10.400 7.295 1.00 0.00 C ATOM 556 CG GLN A 47 -18.039 -10.802 7.561 1.00 0.00 C ATOM 557 CD GLN A 47 -17.122 -9.671 7.108 1.00 0.00 C ATOM 558 OE1 GLN A 47 -17.382 -8.502 7.375 1.00 0.00 O ATOM 559 NE2 GLN A 47 -16.112 -9.957 6.339 1.00 0.00 N ATOM 0 H GLN A 47 -21.895 -10.137 7.017 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.271 -12.438 7.282 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.635 -10.224 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -19.713 -9.462 7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -17.892 -11.004 8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.798 -11.720 7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -15.898 -10.930 6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.534 -9.208 5.957 1.00 0.00 H new ATOM 568 N GLN A 48 -20.783 -10.741 10.068 1.00 0.00 N ATOM 569 CA GLN A 48 -20.679 -10.842 11.522 1.00 0.00 C ATOM 570 C GLN A 48 -21.480 -12.035 12.037 1.00 0.00 C ATOM 571 O GLN A 48 -20.974 -12.881 12.771 1.00 0.00 O ATOM 572 CB GLN A 48 -21.181 -9.543 12.180 1.00 0.00 C ATOM 573 CG GLN A 48 -22.666 -9.306 11.884 1.00 0.00 C ATOM 574 CD GLN A 48 -23.164 -7.994 12.491 1.00 0.00 C ATOM 575 OE1 GLN A 48 -22.379 -7.110 12.836 1.00 0.00 O ATOM 576 NE2 GLN A 48 -24.414 -7.923 12.860 1.00 0.00 N ATOM 0 H GLN A 48 -21.262 -9.905 9.733 1.00 0.00 H new ATOM 0 HA GLN A 48 -19.631 -10.991 11.784 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -21.027 -9.596 13.258 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -20.596 -8.699 11.815 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.824 -9.290 10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.252 -10.135 12.280 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.071 -8.651 12.579 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.734 -7.140 13.430 1.00 0.00 H new ATOM 585 N LYS A 49 -22.703 -12.131 11.521 1.00 0.00 N ATOM 586 CA LYS A 49 -23.676 -13.161 11.876 1.00 0.00 C ATOM 587 C LYS A 49 -23.248 -14.572 11.460 1.00 0.00 C ATOM 588 O LYS A 49 -23.561 -15.546 12.145 1.00 0.00 O ATOM 589 CB LYS A 49 -25.006 -12.723 11.237 1.00 0.00 C ATOM 590 CG LYS A 49 -26.202 -13.621 11.569 1.00 0.00 C ATOM 591 CD LYS A 49 -27.453 -12.979 10.958 1.00 0.00 C ATOM 592 CE LYS A 49 -28.697 -13.803 11.310 1.00 0.00 C ATOM 593 NZ LYS A 49 -28.615 -15.102 10.572 1.00 0.00 N ATOM 0 H LYS A 49 -23.055 -11.475 10.824 1.00 0.00 H new ATOM 0 HA LYS A 49 -23.771 -13.241 12.959 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.231 -11.707 11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -24.881 -12.693 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.051 -14.623 11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.314 -13.725 12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.566 -11.960 11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -27.345 -12.914 9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -28.747 -13.978 12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -29.603 -13.264 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.549 -15.560 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -28.314 -14.926 9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -27.925 -15.724 11.040 1.00 0.00 H new ATOM 607 N ALA A 50 -22.714 -14.669 10.244 1.00 0.00 N ATOM 608 CA ALA A 50 -22.084 -15.896 9.757 1.00 0.00 C ATOM 609 C ALA A 50 -20.750 -16.145 10.452 1.00 0.00 C ATOM 610 O ALA A 50 -20.198 -17.248 10.377 1.00 0.00 O ATOM 611 CB ALA A 50 -21.865 -15.805 8.244 1.00 0.00 C ATOM 0 H ALA A 50 -22.705 -13.903 9.570 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.750 -16.729 9.983 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.395 -16.722 7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -22.825 -15.672 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.219 -14.956 8.020 1.00 0.00 H new ATOM 617 N LYS A 51 -20.237 -15.100 11.102 1.00 0.00 N ATOM 618 CA LYS A 51 -18.999 -15.203 11.874 1.00 0.00 C ATOM 619 C LYS A 51 -17.860 -15.767 11.027 1.00 0.00 C ATOM 620 O LYS A 51 -16.988 -16.465 11.546 1.00 0.00 O ATOM 621 CB LYS A 51 -19.218 -16.057 13.129 1.00 0.00 C ATOM 622 CG LYS A 51 -18.495 -15.394 14.307 1.00 0.00 C ATOM 623 CD LYS A 51 -18.831 -16.138 15.605 1.00 0.00 C ATOM 624 CE LYS A 51 -18.079 -15.494 16.772 1.00 0.00 C ATOM 625 NZ LYS A 51 -18.419 -16.202 18.040 1.00 0.00 N ATOM 0 H LYS A 51 -20.660 -14.172 11.109 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.713 -14.198 12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.283 -16.149 13.343 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.837 -17.066 12.971 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.418 -15.406 14.138 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.794 -14.349 14.388 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.905 -16.105 15.788 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.555 -17.189 15.516 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.004 -15.540 16.595 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.344 -14.440 16.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.907 -15.762 18.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.443 -16.136 18.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.145 -17.202 17.963 1.00 0.00 H new ATOM 639 N VAL A 52 -17.690 -15.176 9.849 1.00 0.00 N ATOM 640 CA VAL A 52 -16.650 -15.595 8.915 1.00 0.00 C ATOM 641 C VAL A 52 -15.681 -14.445 8.663 1.00 0.00 C ATOM 642 O VAL A 52 -16.104 -13.308 8.426 1.00 0.00 O ATOM 643 CB VAL A 52 -17.275 -16.045 7.585 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.997 -17.387 7.771 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.247 -14.973 7.072 1.00 0.00 C ATOM 0 H VAL A 52 -18.263 -14.400 9.517 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.108 -16.433 9.353 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.485 -16.177 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.437 -17.698 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.284 -18.141 8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.784 -17.276 8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.685 -15.300 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.038 -14.818 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.709 -14.038 6.917 1.00 0.00 H new ATOM 655 N LYS A 53 -14.384 -14.739 8.765 1.00 0.00 N ATOM 656 CA LYS A 53 -13.353 -13.716 8.595 1.00 0.00 C ATOM 657 C LYS A 53 -12.724 -13.849 7.215 1.00 0.00 C ATOM 658 O LYS A 53 -12.245 -14.920 6.849 1.00 0.00 O ATOM 659 CB LYS A 53 -12.268 -13.875 9.670 1.00 0.00 C ATOM 660 CG LYS A 53 -12.856 -13.572 11.051 1.00 0.00 C ATOM 661 CD LYS A 53 -11.775 -13.763 12.123 1.00 0.00 C ATOM 662 CE LYS A 53 -12.342 -13.465 13.514 1.00 0.00 C ATOM 663 NZ LYS A 53 -11.259 -13.637 14.528 1.00 0.00 N ATOM 0 H LYS A 53 -14.024 -15.673 8.964 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.811 -12.732 8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.869 -14.889 9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.437 -13.201 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.235 -12.550 11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.701 -14.231 11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.397 -14.785 12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.931 -13.104 11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.734 -12.449 13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.173 -14.135 13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.636 -13.436 15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.905 -14.614 14.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.480 -12.980 14.319 1.00 0.00 H new ATOM 677 N ILE A 54 -12.427 -12.690 6.644 1.00 0.00 N ATOM 678 CA ILE A 54 -11.875 -12.608 5.295 1.00 0.00 C ATOM 679 C ILE A 54 -10.891 -11.444 5.227 1.00 0.00 C ATOM 680 O ILE A 54 -11.299 -10.290 5.367 1.00 0.00 O ATOM 681 CB ILE A 54 -12.988 -12.402 4.252 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.188 -11.649 4.858 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.421 -13.768 3.709 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.360 -11.615 3.874 1.00 0.00 C ATOM 0 H ILE A 54 -12.560 -11.786 7.097 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.366 -13.545 5.070 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.603 -11.791 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.498 -12.134 5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.893 -10.632 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.210 -13.632 2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.568 -14.262 3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.794 -14.383 4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.196 -11.079 4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.053 -11.108 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.667 -12.634 3.638 1.00 0.00 H new ATOM 696 N PRO A 55 -9.576 -11.725 5.191 1.00 0.00 N ATOM 697 CA PRO A 55 -8.552 -10.673 5.443 1.00 0.00 C ATOM 698 C PRO A 55 -8.693 -9.472 4.509 1.00 0.00 C ATOM 699 O PRO A 55 -8.234 -8.380 4.870 1.00 0.00 O ATOM 700 CB PRO A 55 -7.221 -11.405 5.213 1.00 0.00 C ATOM 701 CG PRO A 55 -7.499 -12.842 5.507 1.00 0.00 C ATOM 702 CD PRO A 55 -8.989 -13.081 5.239 1.00 0.00 C ATOM 0 HA PRO A 55 -8.645 -10.247 6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.873 -11.274 4.188 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.441 -11.015 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.887 -13.488 4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.252 -13.077 6.542 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.143 -13.614 4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.443 -13.683 6.026 1.00 0.00 H new ATOM 710 N ARG A 56 -9.060 -9.736 3.256 1.00 0.00 N ATOM 711 CA ARG A 56 -9.141 -8.657 2.274 1.00 0.00 C ATOM 712 C ARG A 56 -10.489 -8.563 1.547 1.00 0.00 C ATOM 713 O ARG A 56 -10.760 -7.520 0.949 1.00 0.00 O ATOM 714 CB ARG A 56 -7.982 -8.773 1.279 1.00 0.00 C ATOM 715 CG ARG A 56 -6.663 -8.529 2.024 1.00 0.00 C ATOM 716 CD ARG A 56 -5.482 -8.639 1.059 1.00 0.00 C ATOM 717 NE ARG A 56 -5.372 -10.003 0.561 1.00 0.00 N ATOM 718 CZ ARG A 56 -4.756 -10.948 1.256 1.00 0.00 C ATOM 719 NH1 ARG A 56 -4.317 -10.708 2.466 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.803 -12.171 0.818 1.00 0.00 N ATOM 0 H ARG A 56 -9.300 -10.662 2.903 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.059 -7.725 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.978 -9.761 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.101 -8.047 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.675 -7.541 2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.552 -9.255 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.617 -7.949 0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.560 -8.352 1.565 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.779 -10.237 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.448 -9.786 2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.844 -11.443 2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.306 -12.385 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.337 -12.916 1.335 1.00 0.00 H new ATOM 734 N LYS A 57 -11.272 -9.643 1.457 1.00 0.00 N ATOM 735 CA LYS A 57 -12.336 -9.670 0.438 1.00 0.00 C ATOM 736 C LYS A 57 -13.410 -8.604 0.627 1.00 0.00 C ATOM 737 O LYS A 57 -13.962 -8.136 -0.370 1.00 0.00 O ATOM 738 CB LYS A 57 -13.108 -10.994 0.359 1.00 0.00 C ATOM 739 CG LYS A 57 -12.275 -12.144 -0.205 1.00 0.00 C ATOM 740 CD LYS A 57 -13.186 -13.378 -0.251 1.00 0.00 C ATOM 741 CE LYS A 57 -12.462 -14.590 -0.833 1.00 0.00 C ATOM 742 NZ LYS A 57 -13.411 -15.746 -0.829 1.00 0.00 N ATOM 0 H LYS A 57 -11.201 -10.474 2.044 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.759 -9.497 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.459 -11.263 1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.992 -10.855 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.906 -11.900 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.403 -12.332 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.535 -13.611 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.068 -13.157 -0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.123 -14.380 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.576 -14.823 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.153 -16.410 -1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.362 -16.232 0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.379 -15.401 -0.987 1.00 0.00 H new ATOM 756 N TRP A 58 -13.896 -8.410 1.852 1.00 0.00 N ATOM 757 CA TRP A 58 -14.893 -7.363 2.088 1.00 0.00 C ATOM 758 C TRP A 58 -14.342 -6.196 2.898 1.00 0.00 C ATOM 759 O TRP A 58 -14.491 -5.046 2.490 1.00 0.00 O ATOM 760 CB TRP A 58 -16.136 -7.942 2.777 1.00 0.00 C ATOM 761 CG TRP A 58 -17.227 -8.089 1.763 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.620 -9.255 1.205 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.853 -7.036 0.966 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.693 -8.986 0.377 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.789 -7.636 0.088 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.528 -5.686 0.768 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.416 -6.900 -0.922 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.126 -4.953 -0.265 1.00 0.00 C ATOM 769 CH2 TRP A 58 -19.040 -5.569 -1.136 1.00 0.00 C ATOM 0 H TRP A 58 -13.626 -8.946 2.677 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.171 -6.973 1.109 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.904 -8.909 3.224 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.459 -7.286 3.586 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.175 -10.224 1.376 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.335 -9.695 0.023 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.810 -5.207 1.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.183 -7.354 -1.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.883 -3.908 -0.393 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.451 -5.017 -1.968 1.00 0.00 H new ATOM 780 N LYS A 59 -13.401 -6.517 3.776 1.00 0.00 N ATOM 781 CA LYS A 59 -12.820 -5.533 4.683 1.00 0.00 C ATOM 782 C LYS A 59 -12.061 -4.435 3.943 1.00 0.00 C ATOM 783 O LYS A 59 -11.957 -3.309 4.433 1.00 0.00 O ATOM 784 CB LYS A 59 -11.944 -6.229 5.731 1.00 0.00 C ATOM 785 CG LYS A 59 -12.862 -7.022 6.667 1.00 0.00 C ATOM 786 CD LYS A 59 -12.032 -7.765 7.723 1.00 0.00 C ATOM 787 CE LYS A 59 -12.962 -8.552 8.656 1.00 0.00 C ATOM 788 NZ LYS A 59 -12.159 -9.290 9.678 1.00 0.00 N ATOM 0 H LYS A 59 -13.021 -7.458 3.880 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.639 -5.033 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.227 -6.893 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.368 -5.495 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.565 -6.347 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.452 -7.735 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.331 -8.443 7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.440 -7.054 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.656 -7.871 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.562 -9.254 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.798 -9.820 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.514 -9.952 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.606 -8.612 10.240 1.00 0.00 H new ATOM 802 N ARG A 60 -11.325 -4.845 2.918 1.00 0.00 N ATOM 803 CA ARG A 60 -10.474 -3.925 2.169 1.00 0.00 C ATOM 804 C ARG A 60 -11.182 -3.351 0.941 1.00 0.00 C ATOM 805 O ARG A 60 -10.614 -2.506 0.248 1.00 0.00 O ATOM 806 CB ARG A 60 -9.193 -4.650 1.740 1.00 0.00 C ATOM 807 CG ARG A 60 -8.389 -5.071 2.974 1.00 0.00 C ATOM 808 CD ARG A 60 -7.856 -3.842 3.706 1.00 0.00 C ATOM 809 NE ARG A 60 -7.082 -4.276 4.856 1.00 0.00 N ATOM 810 CZ ARG A 60 -5.795 -4.555 4.747 1.00 0.00 C ATOM 811 NH1 ARG A 60 -5.204 -4.443 3.592 1.00 0.00 N ATOM 812 NH2 ARG A 60 -5.139 -4.922 5.806 1.00 0.00 N ATOM 0 H ARG A 60 -11.299 -5.809 2.585 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.232 -3.088 2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.444 -5.527 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.590 -3.997 1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.019 -5.657 3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.560 -5.712 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.235 -3.245 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.682 -3.207 4.026 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.540 -4.367 5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.734 -4.141 2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.211 -4.658 3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.618 -4.991 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.145 -5.141 5.740 1.00 0.00 H new ATOM 826 N ARG A 61 -12.426 -3.778 0.707 1.00 0.00 N ATOM 827 CA ARG A 61 -13.159 -3.407 -0.506 1.00 0.00 C ATOM 828 C ARG A 61 -14.396 -2.544 -0.234 1.00 0.00 C ATOM 829 O ARG A 61 -15.357 -2.641 -0.994 1.00 0.00 O ATOM 830 CB ARG A 61 -13.548 -4.624 -1.355 1.00 0.00 C ATOM 831 CG ARG A 61 -12.286 -5.230 -1.975 1.00 0.00 C ATOM 832 CD ARG A 61 -12.644 -6.445 -2.831 1.00 0.00 C ATOM 833 NE ARG A 61 -11.424 -7.015 -3.394 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.946 -6.619 -4.572 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.352 -5.500 -5.113 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.931 -7.250 -5.096 1.00 0.00 N ATOM 0 H ARG A 61 -12.947 -4.382 1.343 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.455 -2.799 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.056 -5.365 -0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.246 -4.328 -2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.779 -4.483 -2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.591 -5.523 -1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.162 -7.190 -2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.325 -6.153 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.925 -7.735 -2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.041 -4.922 -4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.980 -5.205 -6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.511 -8.039 -4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.557 -6.955 -5.998 1.00 0.00 H new ATOM 850 N TYR A 62 -14.511 -1.949 0.956 1.00 0.00 N ATOM 851 CA TYR A 62 -15.739 -1.224 1.298 1.00 0.00 C ATOM 852 C TYR A 62 -15.427 0.069 2.065 1.00 0.00 C ATOM 853 O TYR A 62 -14.276 0.301 2.457 1.00 0.00 O ATOM 854 CB TYR A 62 -16.677 -2.111 2.133 1.00 0.00 C ATOM 855 CG TYR A 62 -16.358 -2.041 3.612 1.00 0.00 C ATOM 856 CD1 TYR A 62 -15.213 -2.670 4.102 1.00 0.00 C ATOM 857 CD2 TYR A 62 -17.395 -1.748 4.516 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.871 -2.473 5.445 1.00 0.00 C ATOM 859 CE2 TYR A 62 -17.120 -1.684 5.891 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.864 -2.092 6.356 1.00 0.00 C ATOM 861 OH TYR A 62 -15.600 -2.110 7.708 1.00 0.00 O ATOM 0 H TYR A 62 -13.793 -1.952 1.680 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.236 -0.960 0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.709 -1.801 1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.597 -3.144 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.606 -3.293 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -18.397 -1.573 4.154 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.852 -2.613 5.775 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.868 -1.324 6.582 1.00 0.00 H new ATOM 0 HH TYR A 62 -16.395 -1.816 8.200 1.00 0.00 H new ATOM 871 N CYS A 63 -16.378 1.011 2.016 1.00 0.00 N ATOM 872 CA CYS A 63 -16.306 2.243 2.803 1.00 0.00 C ATOM 873 C CYS A 63 -16.689 1.970 4.249 1.00 0.00 C ATOM 874 O CYS A 63 -17.757 1.412 4.516 1.00 0.00 O ATOM 875 CB CYS A 63 -17.253 3.314 2.249 1.00 0.00 C ATOM 876 SG CYS A 63 -17.268 4.732 3.380 1.00 0.00 S ATOM 0 H CYS A 63 -17.212 0.939 1.433 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.279 2.604 2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -16.928 3.627 1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.259 2.908 2.141 1.00 0.00 H new ATOM 881 N LYS A 64 -15.941 2.593 5.156 1.00 0.00 N ATOM 882 CA LYS A 64 -16.236 2.453 6.576 1.00 0.00 C ATOM 883 C LYS A 64 -17.602 3.013 6.934 1.00 0.00 C ATOM 884 O LYS A 64 -18.282 2.477 7.812 1.00 0.00 O ATOM 885 CB LYS A 64 -15.178 3.253 7.339 1.00 0.00 C ATOM 886 CG LYS A 64 -15.360 3.087 8.846 1.00 0.00 C ATOM 887 CD LYS A 64 -14.267 3.873 9.575 1.00 0.00 C ATOM 888 CE LYS A 64 -14.451 3.684 11.083 1.00 0.00 C ATOM 889 NZ LYS A 64 -13.398 4.444 11.811 1.00 0.00 N ATOM 0 H LYS A 64 -15.142 3.188 4.938 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.230 1.394 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.182 2.918 7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.250 4.308 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.344 3.445 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.308 2.032 9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.281 3.524 9.268 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.325 4.930 9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.439 4.030 11.386 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.392 2.626 11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.523 4.316 12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.460 4.094 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.475 5.454 11.577 1.00 0.00 H new ATOM 903 N LYS A 65 -17.920 4.176 6.367 1.00 0.00 N ATOM 904 CA LYS A 65 -19.246 4.758 6.546 1.00 0.00 C ATOM 905 C LYS A 65 -20.326 4.233 5.590 1.00 0.00 C ATOM 906 O LYS A 65 -21.471 4.072 6.034 1.00 0.00 O ATOM 907 CB LYS A 65 -19.187 6.289 6.626 1.00 0.00 C ATOM 908 CG LYS A 65 -20.598 6.843 6.875 1.00 0.00 C ATOM 909 CD LYS A 65 -20.579 8.365 7.031 1.00 0.00 C ATOM 910 CE LYS A 65 -22.004 8.859 7.290 1.00 0.00 C ATOM 911 NZ LYS A 65 -21.964 10.339 7.442 1.00 0.00 N ATOM 0 H LYS A 65 -17.286 4.726 5.788 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.587 4.398 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -18.517 6.596 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -18.783 6.697 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -21.250 6.569 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.016 6.389 7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -19.926 8.650 7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -20.177 8.830 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -22.659 8.579 6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -22.409 8.396 8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.925 10.696 7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -21.349 10.589 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -21.591 10.767 6.571 1.00 0.00 H new ATOM 925 N CYS A 66 -20.043 4.039 4.291 1.00 0.00 N ATOM 926 CA CYS A 66 -21.144 3.771 3.359 1.00 0.00 C ATOM 927 C CYS A 66 -21.706 2.391 3.656 1.00 0.00 C ATOM 928 O CYS A 66 -22.684 2.003 3.021 1.00 0.00 O ATOM 929 CB CYS A 66 -20.750 3.735 1.879 1.00 0.00 C ATOM 930 SG CYS A 66 -20.395 5.352 1.155 1.00 0.00 S ATOM 0 H CYS A 66 -19.110 4.061 3.880 1.00 0.00 H new ATOM 0 HA CYS A 66 -21.844 4.593 3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -19.871 3.100 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -21.556 3.267 1.313 1.00 0.00 H new ATOM 935 N HIS A 67 -20.774 1.529 4.043 1.00 0.00 N ATOM 936 CA HIS A 67 -21.079 0.110 4.106 1.00 0.00 C ATOM 937 C HIS A 67 -21.329 -0.367 2.677 1.00 0.00 C ATOM 938 O HIS A 67 -22.483 -0.642 2.357 1.00 0.00 O ATOM 939 CB HIS A 67 -22.290 -0.111 5.021 1.00 0.00 C ATOM 940 CG HIS A 67 -21.909 0.190 6.446 1.00 0.00 C ATOM 941 ND1 HIS A 67 -21.818 1.489 6.921 1.00 0.00 N ATOM 942 CD2 HIS A 67 -21.382 -0.602 7.435 1.00 0.00 C ATOM 943 CE1 HIS A 67 -21.321 1.426 8.168 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.022 0.178 8.523 1.00 0.00 N ATOM 0 H HIS A 67 -19.823 1.781 4.312 1.00 0.00 H new ATOM 0 HA HIS A 67 -20.256 -0.466 4.529 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -23.114 0.531 4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -22.639 -1.140 4.937 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -22.080 2.336 6.417 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -21.265 -1.674 7.375 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -21.181 2.286 8.806 1.00 0.00 H new ATOM 953 N ALA A 68 -20.494 0.190 1.793 1.00 0.00 N ATOM 954 CA ALA A 68 -20.629 0.023 0.345 1.00 0.00 C ATOM 955 C ALA A 68 -19.286 -0.392 -0.244 1.00 0.00 C ATOM 956 O ALA A 68 -18.252 0.037 0.264 1.00 0.00 O ATOM 957 CB ALA A 68 -21.101 1.313 -0.331 1.00 0.00 C ATOM 0 H ALA A 68 -19.702 0.772 2.065 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.378 -0.748 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.189 1.150 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -22.071 1.602 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.379 2.108 -0.143 1.00 0.00 H new ATOM 963 N PHE A 69 -19.320 -1.006 -1.427 1.00 0.00 N ATOM 964 CA PHE A 69 -18.095 -1.457 -2.083 1.00 0.00 C ATOM 965 C PHE A 69 -17.233 -0.247 -2.438 1.00 0.00 C ATOM 966 O PHE A 69 -17.704 0.662 -3.121 1.00 0.00 O ATOM 967 CB PHE A 69 -18.451 -2.213 -3.370 1.00 0.00 C ATOM 968 CG PHE A 69 -17.381 -3.219 -3.742 1.00 0.00 C ATOM 969 CD1 PHE A 69 -16.103 -2.759 -4.118 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.794 -4.489 -4.172 1.00 0.00 C ATOM 971 CE1 PHE A 69 -15.186 -3.633 -4.711 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.907 -5.320 -4.866 1.00 0.00 C ATOM 973 CZ PHE A 69 -15.575 -4.931 -5.044 1.00 0.00 C ATOM 0 H PHE A 69 -20.176 -1.201 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.547 -2.116 -1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -19.404 -2.726 -3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.582 -1.502 -4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.831 -1.728 -3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -18.799 -4.826 -3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.177 -3.303 -4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -17.251 -6.263 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.852 -5.631 -5.437 1.00 0.00 H new ATOM 983 N LEU A 70 -15.951 -0.301 -2.068 1.00 0.00 N ATOM 984 CA LEU A 70 -15.058 0.843 -2.243 1.00 0.00 C ATOM 985 C LEU A 70 -14.132 0.557 -3.421 1.00 0.00 C ATOM 986 O LEU A 70 -13.113 -0.119 -3.294 1.00 0.00 O ATOM 987 CB LEU A 70 -14.265 1.030 -0.942 1.00 0.00 C ATOM 988 CG LEU A 70 -13.616 2.414 -0.809 1.00 0.00 C ATOM 989 CD1 LEU A 70 -12.574 2.654 -1.904 1.00 0.00 C ATOM 990 CD2 LEU A 70 -14.703 3.499 -0.845 1.00 0.00 C ATOM 0 H LEU A 70 -15.512 -1.120 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.611 1.758 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.931 0.868 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.488 0.267 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.095 2.459 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.135 3.644 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.791 1.899 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.052 2.591 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.240 4.481 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.243 3.442 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.398 3.345 -0.020 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.447 1.227 -4.523 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.547 1.423 -5.656 1.00 0.00 C ATOM 1004 C VAL A 71 -13.677 2.881 -6.096 1.00 0.00 C ATOM 1005 O VAL A 71 -14.792 3.409 -6.096 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.961 0.465 -6.779 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.184 0.743 -8.070 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.704 -0.982 -6.343 1.00 0.00 C ATOM 0 H VAL A 71 -15.360 1.661 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.509 1.215 -5.395 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.022 0.620 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.503 0.045 -8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.378 1.764 -8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.117 0.618 -7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.999 -1.661 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.644 -1.114 -6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.286 -1.201 -5.448 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.575 3.590 -6.403 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.685 4.961 -6.976 1.00 0.00 C ATOM 1020 C PRO A 72 -13.406 4.958 -8.326 1.00 0.00 C ATOM 1021 O PRO A 72 -13.087 4.163 -9.212 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.234 5.437 -7.112 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.419 4.514 -6.264 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.173 3.187 -6.207 1.00 0.00 C ATOM 0 HA PRO A 72 -13.278 5.621 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.908 5.403 -8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.129 6.469 -6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.425 4.376 -6.688 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.284 4.926 -5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.839 2.500 -6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.029 2.682 -5.252 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.188 6.016 -8.530 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.889 6.264 -9.785 1.00 0.00 C ATOM 1034 C GLY A 73 -16.352 5.827 -9.738 1.00 0.00 C ATOM 1035 O GLY A 73 -17.100 6.140 -10.669 1.00 0.00 O ATOM 0 H GLY A 73 -14.353 6.731 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.839 7.327 -10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.381 5.734 -10.591 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.731 4.966 -8.786 1.00 0.00 N ATOM 1040 CA ILE A 74 -18.080 4.393 -8.846 1.00 0.00 C ATOM 1041 C ILE A 74 -19.000 4.961 -7.762 1.00 0.00 C ATOM 1042 O ILE A 74 -19.773 5.890 -8.017 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.988 2.866 -8.708 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -17.209 2.282 -9.892 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.404 2.282 -8.687 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.854 0.812 -9.635 1.00 0.00 C ATOM 0 H ILE A 74 -16.155 4.662 -8.001 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.515 4.660 -9.809 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.469 2.613 -7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.804 2.364 -10.801 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.298 2.858 -10.054 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.349 1.198 -8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.955 2.695 -7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.917 2.537 -9.615 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.301 0.417 -10.487 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.239 0.738 -8.738 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.769 0.236 -9.497 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.790 4.515 -6.521 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.575 5.006 -5.387 1.00 0.00 C ATOM 1060 C ASN A 75 -18.853 6.133 -4.662 1.00 0.00 C ATOM 1061 O ASN A 75 -19.501 7.026 -4.122 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.865 3.874 -4.393 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.607 3.373 -3.675 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -18.667 3.055 -2.490 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -17.428 3.567 -4.198 1.00 0.00 N ATOM 0 H ASN A 75 -18.086 3.818 -6.277 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.515 5.387 -5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.585 4.223 -3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.330 3.043 -4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.591 3.454 -3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -17.343 3.832 -5.179 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.646 6.348 -5.149 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.686 7.204 -4.485 1.00 0.00 C ATOM 1074 C ALA A 76 -15.658 7.601 -5.526 1.00 0.00 C ATOM 1075 O ALA A 76 -15.264 6.761 -6.327 1.00 0.00 O ATOM 1076 CB ALA A 76 -15.995 6.448 -3.348 1.00 0.00 C ATOM 0 H ALA A 76 -17.305 5.933 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.180 8.077 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.276 7.105 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.740 6.121 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.476 5.579 -3.752 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.069 8.777 -5.354 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.068 9.268 -6.288 1.00 0.00 C ATOM 1084 C ARG A 77 -12.855 9.765 -5.522 1.00 0.00 C ATOM 1085 O ARG A 77 -12.982 10.413 -4.486 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.660 10.386 -7.150 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.721 10.648 -8.331 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.314 11.709 -9.261 1.00 0.00 C ATOM 1089 NE ARG A 77 -13.406 11.971 -10.376 1.00 0.00 N ATOM 1090 CZ ARG A 77 -13.449 11.249 -11.491 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -14.393 10.366 -11.655 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -12.424 11.265 -12.300 1.00 0.00 N ATOM 0 H ARG A 77 -15.268 9.407 -4.577 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.757 8.456 -6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.649 10.102 -7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.785 11.293 -6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.749 10.979 -7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.555 9.723 -8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.279 11.372 -9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.494 12.630 -8.706 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.724 12.725 -10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.096 10.230 -10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.429 9.810 -12.510 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.604 11.827 -12.073 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.444 10.716 -13.159 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.683 9.504 -6.085 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.430 9.829 -5.421 1.00 0.00 C ATOM 1108 C VAL A 78 -9.601 10.707 -6.346 1.00 0.00 C ATOM 1109 O VAL A 78 -9.681 10.568 -7.570 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.670 8.538 -5.076 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.074 7.912 -6.340 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.528 8.831 -4.103 1.00 0.00 C ATOM 0 H VAL A 78 -11.575 9.068 -7.001 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.627 10.366 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.380 7.849 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.540 6.999 -6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.875 7.675 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.383 8.616 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.002 7.905 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.835 9.538 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.932 9.259 -3.186 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.090 11.785 -5.773 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.160 12.640 -6.499 1.00 0.00 C ATOM 1124 C ARG A 79 -6.807 12.517 -5.834 1.00 0.00 C ATOM 1125 O ARG A 79 -6.717 12.470 -4.610 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.605 14.102 -6.468 1.00 0.00 C ATOM 1127 CG ARG A 79 -7.813 14.888 -7.523 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.252 16.356 -7.529 1.00 0.00 C ATOM 1129 NE ARG A 79 -7.877 17.057 -6.301 1.00 0.00 N ATOM 1130 CZ ARG A 79 -6.694 17.651 -6.179 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -5.775 17.447 -7.084 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -6.588 18.703 -5.414 1.00 0.00 N ATOM 0 H ARG A 79 -9.298 12.087 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.122 12.326 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.674 14.175 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.437 14.526 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.746 14.821 -7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.971 14.450 -8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.804 16.862 -8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.333 16.408 -7.658 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.536 17.091 -5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.967 16.836 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.865 17.899 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.406 19.059 -4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.687 19.170 -5.310 1.00 0.00 H new ATOM 1146 N LEU A 80 -5.794 12.318 -6.662 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.468 12.025 -6.140 1.00 0.00 C ATOM 1148 C LEU A 80 -3.665 13.316 -6.238 1.00 0.00 C ATOM 1149 O LEU A 80 -3.550 13.908 -7.311 1.00 0.00 O ATOM 1150 CB LEU A 80 -3.814 10.930 -7.001 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.717 9.687 -7.072 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -5.727 9.869 -8.214 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -3.894 8.414 -7.312 1.00 0.00 C ATOM 0 H LEU A 80 -5.860 12.353 -7.679 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.511 11.671 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.630 11.311 -8.006 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.845 10.659 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.236 9.579 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.372 8.992 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.334 10.754 -8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.193 9.990 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.561 7.553 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.352 8.503 -8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.184 8.281 -6.496 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.128 13.742 -5.098 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.513 15.061 -4.991 1.00 0.00 C ATOM 1167 C ARG A 81 -0.995 14.895 -4.952 1.00 0.00 C ATOM 1168 O ARG A 81 -0.454 14.171 -4.106 1.00 0.00 O ATOM 1169 CB ARG A 81 -3.009 15.808 -3.743 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.493 16.175 -3.886 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.988 16.881 -2.616 1.00 0.00 C ATOM 1172 NE ARG A 81 -6.394 17.282 -2.732 1.00 0.00 N ATOM 1173 CZ ARG A 81 -7.013 17.981 -1.782 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -6.348 18.453 -0.764 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -8.288 18.238 -1.883 1.00 0.00 N ATOM 0 H ARG A 81 -3.106 13.195 -4.238 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.796 15.658 -5.858 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.866 15.186 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.418 16.712 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.633 16.824 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.082 15.276 -4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.868 16.217 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.373 17.761 -2.425 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.915 17.017 -3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.344 18.288 -0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.832 18.987 -0.042 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.813 17.903 -2.691 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.760 18.773 -1.154 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.316 15.727 -5.738 1.00 0.00 N ATOM 1190 CA GLN A 82 1.110 15.579 -5.978 1.00 0.00 C ATOM 1191 C GLN A 82 1.863 16.811 -5.474 1.00 0.00 C ATOM 1192 O GLN A 82 2.683 17.397 -6.189 1.00 0.00 O ATOM 1193 CB GLN A 82 1.330 15.358 -7.475 1.00 0.00 C ATOM 1194 CG GLN A 82 0.679 14.047 -7.930 1.00 0.00 C ATOM 1195 CD GLN A 82 1.340 12.865 -7.227 1.00 0.00 C ATOM 1196 OE1 GLN A 82 2.564 12.736 -7.239 1.00 0.00 O ATOM 1197 NE2 GLN A 82 0.596 11.922 -6.717 1.00 0.00 N ATOM 0 H GLN A 82 -0.740 16.518 -6.223 1.00 0.00 H new ATOM 0 HA GLN A 82 1.499 14.719 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.910 16.193 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.398 15.334 -7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.388 14.064 -7.706 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.776 13.939 -9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.419 12.024 -6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.029 11.083 -6.331 1.00 0.00 H new ATOM 1206 N LYS A 83 1.837 16.901 -4.150 1.00 0.00 N ATOM 1207 CA LYS A 83 2.717 17.749 -3.349 1.00 0.00 C ATOM 1208 C LYS A 83 3.793 16.825 -2.783 1.00 0.00 C ATOM 1209 O LYS A 83 3.666 15.604 -2.946 1.00 0.00 O ATOM 1210 CB LYS A 83 1.892 18.377 -2.218 1.00 0.00 C ATOM 1211 CG LYS A 83 0.835 19.309 -2.819 1.00 0.00 C ATOM 1212 CD LYS A 83 -0.018 19.919 -1.703 1.00 0.00 C ATOM 1213 CE LYS A 83 -1.084 20.837 -2.307 1.00 0.00 C ATOM 1214 NZ LYS A 83 -1.900 21.399 -1.195 1.00 0.00 N ATOM 0 H LYS A 83 1.179 16.367 -3.582 1.00 0.00 H new ATOM 0 HA LYS A 83 3.168 18.554 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.412 17.597 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.543 18.934 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.319 20.100 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.201 18.755 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.493 19.128 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.614 20.483 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.616 21.639 -2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.716 20.281 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.632 22.027 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.353 20.624 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.286 21.940 -0.553 1.00 0.00 H new ATOM 1228 N ARG A 84 4.902 17.350 -2.253 1.00 0.00 N ATOM 1229 CA ARG A 84 5.800 16.410 -1.581 1.00 0.00 C ATOM 1230 C ARG A 84 5.197 16.201 -0.189 1.00 0.00 C ATOM 1231 O ARG A 84 5.898 16.157 0.819 1.00 0.00 O ATOM 1232 CB ARG A 84 7.170 17.095 -1.436 1.00 0.00 C ATOM 1233 CG ARG A 84 8.262 16.177 -0.868 1.00 0.00 C ATOM 1234 CD ARG A 84 9.540 16.999 -0.674 1.00 0.00 C ATOM 1235 NE ARG A 84 10.090 17.427 -1.956 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.144 18.234 -2.025 1.00 0.00 C ATOM 1237 NH1 ARG A 84 11.709 18.655 -0.925 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.392 18.825 -3.160 1.00 0.00 N ATOM 0 H ARG A 84 5.183 18.330 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 84 5.916 15.469 -2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.488 17.462 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.065 17.964 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.940 15.749 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.447 15.345 -1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.324 17.872 -0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.280 16.405 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 84 9.656 17.099 -2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.341 18.364 -0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.518 19.274 -0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.785 18.662 -3.963 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.193 19.450 -3.245 1.00 0.00 H new ATOM 1252 N MET A 85 3.971 15.688 -0.243 1.00 0.00 N ATOM 1253 CA MET A 85 3.341 14.834 0.753 1.00 0.00 C ATOM 1254 C MET A 85 2.411 13.913 -0.038 1.00 0.00 C ATOM 1255 O MET A 85 1.517 14.449 -0.702 1.00 0.00 O ATOM 1256 CB MET A 85 2.528 15.754 1.678 1.00 0.00 C ATOM 1257 CG MET A 85 1.802 14.968 2.774 1.00 0.00 C ATOM 1258 SD MET A 85 0.301 15.867 3.235 1.00 0.00 S ATOM 1259 CE MET A 85 1.079 17.173 4.220 1.00 0.00 C ATOM 0 H MET A 85 3.354 15.871 -1.035 1.00 0.00 H new ATOM 0 HA MET A 85 4.043 14.253 1.351 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.193 16.486 2.137 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.800 16.310 1.088 1.00 0.00 H new ATOM 0 HG2 MET A 85 1.550 13.969 2.419 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.450 14.844 3.642 1.00 0.00 H new ATOM 0 HE1 MET A 85 0.562 17.266 5.175 1.00 0.00 H new ATOM 0 HE2 MET A 85 2.125 16.921 4.397 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.019 18.119 3.682 1.00 0.00 H new ATOM 1269 N PRO A 86 2.615 12.585 -0.164 1.00 0.00 N ATOM 1270 CA PRO A 86 1.613 11.817 -0.950 1.00 0.00 C ATOM 1271 C PRO A 86 0.247 11.957 -0.281 1.00 0.00 C ATOM 1272 O PRO A 86 0.133 11.732 0.921 1.00 0.00 O ATOM 1273 CB PRO A 86 2.115 10.371 -0.886 1.00 0.00 C ATOM 1274 CG PRO A 86 3.564 10.440 -0.515 1.00 0.00 C ATOM 1275 CD PRO A 86 3.841 11.815 0.103 1.00 0.00 C ATOM 0 HA PRO A 86 1.504 12.160 -1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.553 9.797 -0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.984 9.872 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.812 9.649 0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.188 10.287 -1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.038 11.739 1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.714 12.286 -0.349 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.801 12.156 -1.073 1.00 0.00 N ATOM 1284 CA HIS A 87 -2.130 12.343 -0.496 1.00 0.00 C ATOM 1285 C HIS A 87 -3.209 12.106 -1.547 1.00 0.00 C ATOM 1286 O HIS A 87 -3.148 12.650 -2.647 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.273 13.743 0.115 1.00 0.00 C ATOM 1288 CG HIS A 87 -3.594 13.820 0.828 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -3.867 13.004 1.912 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -4.660 14.687 0.744 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -4.886 13.568 2.569 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -5.552 14.411 1.778 1.00 0.00 N ATOM 0 H HIS A 87 -0.762 12.192 -2.092 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.257 11.611 0.302 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.456 13.938 0.809 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.218 14.504 -0.664 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.785 15.457 -0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.136 13.368 3.600 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.498 14.771 1.902 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.272 11.431 -1.120 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.452 11.191 -1.944 1.00 0.00 C ATOM 1303 C ILE A 88 -6.693 11.635 -1.181 1.00 0.00 C ATOM 1304 O ILE A 88 -6.698 11.625 0.053 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.531 9.702 -2.308 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.662 8.828 -1.051 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.244 9.319 -3.037 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.900 7.363 -1.437 1.00 0.00 C ATOM 0 H ILE A 88 -4.339 11.032 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.388 11.765 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.408 9.539 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.757 8.909 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.487 9.187 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.278 8.263 -3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.145 9.920 -3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.389 9.500 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.990 6.759 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.818 7.285 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.061 7.003 -2.032 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.673 12.164 -1.909 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.922 12.582 -1.281 1.00 0.00 C ATOM 1322 C VAL A 89 -10.075 11.731 -1.801 1.00 0.00 C ATOM 1323 O VAL A 89 -10.421 11.808 -2.968 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.186 14.068 -1.567 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.238 14.933 -0.732 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -8.970 14.384 -3.053 1.00 0.00 C ATOM 0 H VAL A 89 -7.629 12.312 -2.917 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.841 12.444 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.221 14.286 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.429 15.986 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.403 14.735 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.206 14.694 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.163 15.442 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.942 14.151 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.652 13.784 -3.655 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.845 11.191 -0.863 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.869 10.201 -1.175 1.00 0.00 C ATOM 1338 C VAL A 90 -13.208 10.729 -0.675 1.00 0.00 C ATOM 1339 O VAL A 90 -13.400 10.850 0.531 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.537 8.881 -0.464 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.730 7.923 -0.542 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.300 8.239 -1.099 1.00 0.00 C ATOM 0 H VAL A 90 -10.778 11.425 0.128 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.911 10.024 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.326 9.090 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.482 6.991 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.595 8.379 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.963 7.716 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.073 7.304 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.494 8.039 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.451 8.917 -1.009 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.201 10.674 -1.553 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.561 11.034 -1.187 1.00 0.00 C ATOM 1354 C LYS A 91 -16.518 9.993 -1.750 1.00 0.00 C ATOM 1355 O LYS A 91 -16.437 9.687 -2.934 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.958 12.432 -1.689 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.401 12.819 -3.071 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.874 12.984 -3.094 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.398 13.404 -4.483 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.917 13.562 -4.438 1.00 0.00 N ATOM 0 H LYS A 91 -14.088 10.383 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.617 11.060 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.046 12.492 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.622 13.170 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.687 12.056 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.864 13.752 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.573 13.731 -2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.397 12.046 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.678 12.655 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.872 14.340 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.528 13.460 -5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.679 14.504 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.509 12.832 -3.820 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.486 9.571 -0.934 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.469 8.579 -1.362 1.00 0.00 C ATOM 1376 C CYS A 92 -19.873 9.183 -1.351 1.00 0.00 C ATOM 1377 O CYS A 92 -20.340 9.601 -0.298 1.00 0.00 O ATOM 1378 CB CYS A 92 -18.422 7.342 -0.459 1.00 0.00 C ATOM 1379 SG CYS A 92 -17.498 7.671 1.060 1.00 0.00 S ATOM 0 H CYS A 92 -17.608 9.901 0.023 1.00 0.00 H new ATOM 0 HA CYS A 92 -18.223 8.274 -2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -19.437 7.032 -0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.959 6.514 -0.996 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.617 8.901 -2.420 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.958 9.442 -2.646 1.00 0.00 C ATOM 1386 C LEU A 93 -22.937 8.977 -1.575 1.00 0.00 C ATOM 1387 O LEU A 93 -23.947 9.636 -1.325 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.418 9.017 -4.044 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.582 9.770 -5.088 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.772 9.188 -6.493 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -22.006 11.243 -5.110 1.00 0.00 C ATOM 0 H LEU A 93 -20.301 8.281 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.928 10.530 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.299 7.941 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.477 9.239 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.533 9.670 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -21.164 9.748 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.466 8.142 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.822 9.260 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.414 11.781 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -23.062 11.314 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.843 11.683 -4.126 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.802 7.703 -1.225 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.647 7.070 -0.220 1.00 0.00 C ATOM 1405 C GLU A 94 -23.408 7.691 1.163 1.00 0.00 C ATOM 1406 O GLU A 94 -24.383 8.031 1.841 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.403 5.552 -0.162 1.00 0.00 C ATOM 1408 CG GLU A 94 -22.861 4.967 -1.479 1.00 0.00 C ATOM 1409 CD GLU A 94 -21.342 5.115 -1.566 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -20.903 6.086 -2.158 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -20.687 4.104 -1.399 1.00 0.00 O ATOM 0 H GLU A 94 -22.103 7.080 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.684 7.241 -0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.697 5.336 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.337 5.051 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.131 3.913 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.327 5.473 -2.324 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.157 8.061 1.463 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.862 8.850 2.666 1.00 0.00 C ATOM 1420 C CYS A 95 -22.282 10.305 2.468 1.00 0.00 C ATOM 1421 O CYS A 95 -22.905 10.925 3.341 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.350 8.880 2.913 1.00 0.00 C ATOM 1423 SG CYS A 95 -19.804 7.530 3.989 1.00 0.00 S ATOM 0 H CYS A 95 -21.341 7.830 0.897 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.400 8.392 3.496 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -19.827 8.816 1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.076 9.834 3.363 1.00 0.00 H new ATOM 1428 N GLY A 96 -22.101 10.754 1.230 1.00 0.00 N ATOM 1429 CA GLY A 96 -22.232 12.173 0.900 1.00 0.00 C ATOM 1430 C GLY A 96 -21.021 12.963 1.397 1.00 0.00 C ATOM 1431 O GLY A 96 -21.068 14.190 1.444 1.00 0.00 O ATOM 0 H GLY A 96 -21.863 10.158 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -22.331 12.292 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -23.141 12.573 1.349 1.00 0.00 H new ATOM 1435 N HIS A 97 -20.018 12.256 1.924 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.944 12.875 2.711 1.00 0.00 C ATOM 1437 C HIS A 97 -17.553 12.580 2.150 1.00 0.00 C ATOM 1438 O HIS A 97 -17.364 11.583 1.455 1.00 0.00 O ATOM 1439 CB HIS A 97 -19.001 12.473 4.193 1.00 0.00 C ATOM 1440 CG HIS A 97 -20.166 13.140 4.868 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -21.461 12.678 4.742 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.240 14.205 5.737 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -22.214 13.337 5.638 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.560 14.388 6.137 1.00 0.00 N ATOM 0 H HIS A 97 -19.926 11.246 1.819 1.00 0.00 H new ATOM 0 HA HIS A 97 -19.117 13.948 2.636 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -19.092 11.390 4.280 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -18.073 12.756 4.690 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -21.786 11.966 4.088 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.402 14.806 6.059 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -23.218 13.053 5.918 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.627 13.523 2.354 1.00 0.00 N ATOM 1454 CA ILE A 98 -15.251 13.407 1.862 1.00 0.00 C ATOM 1455 C ILE A 98 -14.277 13.089 2.994 1.00 0.00 C ATOM 1456 O ILE A 98 -14.464 13.528 4.130 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.776 14.694 1.176 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.377 14.463 0.581 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.772 15.848 2.184 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.964 15.624 -0.325 1.00 0.00 C ATOM 0 H ILE A 98 -16.810 14.387 2.864 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.261 12.592 1.139 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.455 14.960 0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.651 14.350 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.370 13.533 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.434 16.760 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.780 15.997 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.099 15.609 3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.971 15.433 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.678 15.719 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.948 16.548 0.252 1.00 0.00 H new ATOM 1472 N MET A 99 -13.392 12.142 2.700 1.00 0.00 N ATOM 1473 CA MET A 99 -12.299 11.769 3.592 1.00 0.00 C ATOM 1474 C MET A 99 -10.943 12.048 2.951 1.00 0.00 C ATOM 1475 O MET A 99 -10.741 11.817 1.754 1.00 0.00 O ATOM 1476 CB MET A 99 -12.409 10.270 3.862 1.00 0.00 C ATOM 1477 CG MET A 99 -13.679 10.007 4.669 1.00 0.00 C ATOM 1478 SD MET A 99 -13.870 8.221 4.886 1.00 0.00 S ATOM 1479 CE MET A 99 -12.422 7.932 5.935 1.00 0.00 C ATOM 0 H MET A 99 -13.413 11.608 1.831 1.00 0.00 H new ATOM 0 HA MET A 99 -12.372 12.352 4.510 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.438 9.718 2.922 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.534 9.920 4.410 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.619 10.501 5.639 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.546 10.420 4.154 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.684 7.239 6.734 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.617 7.506 5.335 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.092 8.876 6.367 1.00 0.00 H new ATOM 1489 N ARG A 100 -10.007 12.480 3.794 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.627 12.707 3.379 1.00 0.00 C ATOM 1491 C ARG A 100 -7.760 11.558 3.889 1.00 0.00 C ATOM 1492 O ARG A 100 -7.749 11.279 5.092 1.00 0.00 O ATOM 1493 CB ARG A 100 -8.150 14.036 3.975 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.913 15.201 3.331 1.00 0.00 C ATOM 1495 CD ARG A 100 -8.485 16.537 3.947 1.00 0.00 C ATOM 1496 NE ARG A 100 -9.240 17.612 3.309 1.00 0.00 N ATOM 1497 CZ ARG A 100 -8.882 18.885 3.413 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -7.729 19.193 3.938 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -9.630 19.808 2.874 1.00 0.00 N ATOM 0 H ARG A 100 -10.184 12.681 4.778 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.555 12.751 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.308 14.038 5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.079 14.155 3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.727 15.214 2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.985 15.059 3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.668 16.533 5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.415 16.692 3.807 1.00 0.00 H new ATOM 0 HE ARG A 100 -10.070 17.376 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.105 18.456 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.451 20.171 4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.482 19.548 2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.362 20.789 2.949 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.872 11.061 3.026 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.971 9.970 3.389 1.00 0.00 C ATOM 1515 C TYR A 101 -4.519 10.356 3.119 1.00 0.00 C ATOM 1516 O TYR A 101 -4.051 10.243 1.992 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.315 8.713 2.583 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.531 7.549 3.521 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -5.476 7.089 4.322 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -7.773 6.909 3.566 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -5.731 6.145 5.328 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -7.964 5.829 4.435 1.00 0.00 C ATOM 1523 CZ TYR A 101 -6.976 5.508 5.373 1.00 0.00 C ATOM 1524 OH TYR A 101 -7.165 4.441 6.224 1.00 0.00 O ATOM 0 H TYR A 101 -6.759 11.398 2.070 1.00 0.00 H new ATOM 0 HA TYR A 101 -6.094 9.769 4.453 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.212 8.885 1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.509 8.485 1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.474 7.459 4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.581 7.246 2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -4.973 5.912 6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.871 5.245 4.382 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.084 4.111 6.136 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.765 10.773 4.145 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.294 10.982 4.013 1.00 0.00 C ATOM 1536 C PRO A 102 -1.595 9.672 3.664 1.00 0.00 C ATOM 1537 O PRO A 102 -1.893 8.622 4.236 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.865 11.501 5.393 1.00 0.00 C ATOM 1539 CG PRO A 102 -3.127 11.932 6.067 1.00 0.00 C ATOM 1540 CD PRO A 102 -4.221 11.020 5.517 1.00 0.00 C ATOM 0 HA PRO A 102 -2.033 11.677 3.215 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.360 10.723 5.966 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.166 12.332 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.045 11.836 7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.346 12.978 5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.306 10.096 6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.199 11.500 5.540 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.583 9.781 2.806 1.00 0.00 N ATOM 1549 CA TYR A 103 0.429 8.745 2.631 1.00 0.00 C ATOM 1550 C TYR A 103 1.853 9.284 2.690 1.00 0.00 C ATOM 1551 O TYR A 103 2.122 10.442 2.357 1.00 0.00 O ATOM 1552 CB TYR A 103 0.190 7.978 1.331 1.00 0.00 C ATOM 1553 CG TYR A 103 -1.048 7.123 1.469 1.00 0.00 C ATOM 1554 CD1 TYR A 103 -0.918 5.835 1.993 1.00 0.00 C ATOM 1555 CD2 TYR A 103 -2.301 7.589 1.053 1.00 0.00 C ATOM 1556 CE1 TYR A 103 -2.031 4.996 2.084 1.00 0.00 C ATOM 1557 CE2 TYR A 103 -3.427 6.759 1.168 1.00 0.00 C ATOM 1558 CZ TYR A 103 -3.297 5.487 1.743 1.00 0.00 C ATOM 1559 OH TYR A 103 -4.417 4.726 1.991 1.00 0.00 O ATOM 0 H TYR A 103 -0.442 10.596 2.209 1.00 0.00 H new ATOM 0 HA TYR A 103 0.326 8.061 3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.072 8.675 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.053 7.353 1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.047 5.486 2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.401 8.584 0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.916 3.975 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -4.389 7.099 0.815 1.00 0.00 H new ATOM 0 HH TYR A 103 -4.969 5.168 2.670 1.00 0.00 H new ATOM 1569 N ILE A 104 2.694 8.484 3.338 1.00 0.00 N ATOM 1570 CA ILE A 104 4.122 8.769 3.439 1.00 0.00 C ATOM 1571 C ILE A 104 4.923 7.632 2.809 1.00 0.00 C ATOM 1572 O ILE A 104 4.482 6.479 2.846 1.00 0.00 O ATOM 1573 CB ILE A 104 4.515 8.929 4.913 1.00 0.00 C ATOM 1574 CG1 ILE A 104 3.768 10.120 5.521 1.00 0.00 C ATOM 1575 CG2 ILE A 104 6.023 9.165 5.019 1.00 0.00 C ATOM 1576 CD1 ILE A 104 3.929 10.152 7.046 1.00 0.00 C ATOM 0 H ILE A 104 2.407 7.624 3.806 1.00 0.00 H new ATOM 0 HA ILE A 104 4.341 9.695 2.908 1.00 0.00 H new ATOM 0 HB ILE A 104 4.250 8.022 5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.147 11.048 5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.710 10.059 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.301 9.279 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.555 8.315 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.289 10.070 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.389 11.008 7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.527 9.233 7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.986 10.238 7.299 1.00 0.00 H new ATOM 1588 N LYS A 105 5.855 8.018 1.939 1.00 0.00 N ATOM 1589 CA LYS A 105 6.723 7.076 1.238 1.00 0.00 C ATOM 1590 C LYS A 105 7.017 5.828 2.067 1.00 0.00 C ATOM 1591 O LYS A 105 7.000 4.746 1.501 1.00 0.00 O ATOM 1592 CB LYS A 105 8.051 7.755 0.890 1.00 0.00 C ATOM 1593 CG LYS A 105 7.839 8.860 -0.153 1.00 0.00 C ATOM 1594 CD LYS A 105 9.188 9.520 -0.456 1.00 0.00 C ATOM 1595 CE LYS A 105 9.014 10.639 -1.489 1.00 0.00 C ATOM 1596 NZ LYS A 105 10.345 11.266 -1.739 1.00 0.00 N ATOM 0 H LYS A 105 6.029 8.994 1.701 1.00 0.00 H new ATOM 0 HA LYS A 105 6.195 6.768 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.495 8.179 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.753 7.015 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.411 8.442 -1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.132 9.601 0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 105 9.616 9.926 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.889 8.775 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.604 10.238 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.307 11.384 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.244 12.028 -2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.716 11.659 -0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.004 10.548 -2.102 1.00 0.00 H new TER 1610 LYS A 105 HETATM 1611 ZN ZN A 124 -18.713 6.267 2.414 1.00 0.00 ZN