USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 40 GLN : amide:sc= -3.64 K(o=-5.4,f=-8.6!) USER MOD Set 1.2: A 71 SER OG : rot 87:sc= -1.75 USER MOD Set 2.1: A 46 CYS SG : rot -3:sc= -0.639 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0.609 USER MOD Single : A 14 LYS NZ :NH3+ -120:sc= 0.378 (180deg=-0.718) USER MOD Single : A 18 HIS : no HD1:sc= -0.698 X(o=-0.7,f=-0.8) USER MOD Single : A 20 GLN : amide:sc=-0.00196 X(o=-0.002,f=-0.067) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.6!) USER MOD Single : A 33 TYR OH : rot 130:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.02) USER MOD Single : A 47 ASN : amide:sc= -0.0687 X(o=-0.069,f=-0.14) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0781) USER MOD Single : A 60 GLN : amide:sc= -1.97! C(o=-2!,f=-4.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 0.808 (180deg=0.362) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 70:sc= -0.976 USER MOD Single : A 75 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1.3!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.842 K(o=-0.84,f=0) USER MOD Single : A 80 TYR OH : rot -124:sc= -0.989 USER MOD Single : A 85 LYS NZ :NH3+ -117:sc= -0.49 (180deg=-2.07!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.146 17.698 -9.349 1.00 0.00 N ATOM 67 CA LEU A 8 -9.151 16.633 -9.286 1.00 0.00 C ATOM 68 C LEU A 8 -9.106 16.012 -7.893 1.00 0.00 C ATOM 69 O LEU A 8 -8.879 14.812 -7.745 1.00 0.00 O ATOM 70 CB LEU A 8 -7.771 17.175 -9.661 1.00 0.00 C ATOM 71 CG LEU A 8 -6.772 16.151 -10.201 1.00 0.00 C ATOM 72 CD1 LEU A 8 -6.744 14.914 -9.315 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.116 15.775 -11.634 1.00 0.00 C ATOM 0 HA LEU A 8 -9.436 15.860 -9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.901 17.956 -10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.336 17.647 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.779 16.601 -10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.028 14.196 -9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.449 15.197 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.735 14.462 -9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.395 15.045 -12.002 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.117 15.344 -11.667 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.084 16.666 -12.262 1.00 0.00 H new ATOM 85 N ALA A 9 -9.325 16.838 -6.876 1.00 0.00 N ATOM 86 CA ALA A 9 -9.314 16.370 -5.495 1.00 0.00 C ATOM 87 C ALA A 9 -10.597 15.618 -5.160 1.00 0.00 C ATOM 88 O ALA A 9 -10.556 14.497 -4.654 1.00 0.00 O ATOM 89 CB ALA A 9 -9.121 17.540 -4.542 1.00 0.00 C ATOM 0 H ALA A 9 -9.512 17.835 -6.982 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.478 15.680 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.115 17.175 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.173 18.033 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.937 18.252 -4.670 1.00 0.00 H new ATOM 95 N GLU A 10 -11.735 16.244 -5.445 1.00 0.00 N ATOM 96 CA GLU A 10 -13.031 15.633 -5.171 1.00 0.00 C ATOM 97 C GLU A 10 -12.979 14.124 -5.395 1.00 0.00 C ATOM 98 O GLU A 10 -13.576 13.352 -4.643 1.00 0.00 O ATOM 99 CB GLU A 10 -14.111 16.255 -6.059 1.00 0.00 C ATOM 100 CG GLU A 10 -13.751 16.270 -7.535 1.00 0.00 C ATOM 101 CD GLU A 10 -14.967 16.401 -8.431 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.353 17.548 -8.742 1.00 0.00 O ATOM 103 OE2 GLU A 10 -15.533 15.359 -8.820 1.00 0.00 O ATOM 0 H GLU A 10 -11.786 17.172 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.279 15.820 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.041 15.703 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.297 17.277 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.070 17.098 -7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.218 15.353 -7.784 1.00 0.00 H new ATOM 110 N LEU A 11 -12.263 13.711 -6.435 1.00 0.00 N ATOM 111 CA LEU A 11 -12.133 12.295 -6.760 1.00 0.00 C ATOM 112 C LEU A 11 -11.171 11.602 -5.800 1.00 0.00 C ATOM 113 O LEU A 11 -11.445 10.504 -5.315 1.00 0.00 O ATOM 114 CB LEU A 11 -11.646 12.124 -8.199 1.00 0.00 C ATOM 115 CG LEU A 11 -12.727 12.144 -9.281 1.00 0.00 C ATOM 116 CD1 LEU A 11 -13.818 11.134 -8.963 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.315 13.541 -9.421 1.00 0.00 C ATOM 0 H LEU A 11 -11.764 14.336 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.115 11.833 -6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.929 12.916 -8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.107 11.179 -8.269 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.270 11.867 -10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.579 11.162 -9.743 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.386 10.135 -8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.273 11.380 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.082 13.537 -10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.758 13.846 -8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.527 14.242 -9.696 1.00 0.00 H new ATOM 129 N PHE A 12 -10.044 12.251 -5.528 1.00 0.00 N ATOM 130 CA PHE A 12 -9.041 11.698 -4.625 1.00 0.00 C ATOM 131 C PHE A 12 -9.692 11.163 -3.353 1.00 0.00 C ATOM 132 O PHE A 12 -9.292 10.123 -2.830 1.00 0.00 O ATOM 133 CB PHE A 12 -8.001 12.763 -4.271 1.00 0.00 C ATOM 134 CG PHE A 12 -6.923 12.265 -3.352 1.00 0.00 C ATOM 135 CD1 PHE A 12 -5.907 11.452 -3.830 1.00 0.00 C ATOM 136 CD2 PHE A 12 -6.924 12.609 -2.010 1.00 0.00 C ATOM 137 CE1 PHE A 12 -4.913 10.992 -2.987 1.00 0.00 C ATOM 138 CE2 PHE A 12 -5.933 12.152 -1.162 1.00 0.00 C ATOM 139 CZ PHE A 12 -4.927 11.342 -1.651 1.00 0.00 C ATOM 0 H PHE A 12 -9.802 13.161 -5.920 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.545 10.871 -5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.543 13.132 -5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.504 13.609 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.892 11.175 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.708 13.242 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.127 10.360 -3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.945 12.428 -0.118 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.152 10.983 -0.990 1.00 0.00 H new ATOM 149 N GLU A 13 -10.695 11.882 -2.861 1.00 0.00 N ATOM 150 CA GLU A 13 -11.400 11.480 -1.649 1.00 0.00 C ATOM 151 C GLU A 13 -12.225 10.220 -1.892 1.00 0.00 C ATOM 152 O GLU A 13 -12.055 9.210 -1.209 1.00 0.00 O ATOM 153 CB GLU A 13 -12.308 12.611 -1.161 1.00 0.00 C ATOM 154 CG GLU A 13 -11.549 13.807 -0.612 1.00 0.00 C ATOM 155 CD GLU A 13 -11.249 13.678 0.869 1.00 0.00 C ATOM 156 OE1 GLU A 13 -10.566 12.706 1.254 1.00 0.00 O ATOM 157 OE2 GLU A 13 -11.699 14.549 1.643 1.00 0.00 O ATOM 0 H GLU A 13 -11.038 12.745 -3.282 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.656 11.264 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.940 12.940 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.971 12.225 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.614 13.922 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.132 14.712 -0.783 1.00 0.00 H new ATOM 164 N LYS A 14 -13.121 10.286 -2.871 1.00 0.00 N ATOM 165 CA LYS A 14 -13.974 9.152 -3.207 1.00 0.00 C ATOM 166 C LYS A 14 -13.144 7.889 -3.411 1.00 0.00 C ATOM 167 O LYS A 14 -13.407 6.856 -2.796 1.00 0.00 O ATOM 168 CB LYS A 14 -14.783 9.453 -4.471 1.00 0.00 C ATOM 169 CG LYS A 14 -16.021 10.295 -4.214 1.00 0.00 C ATOM 170 CD LYS A 14 -16.629 10.802 -5.511 1.00 0.00 C ATOM 171 CE LYS A 14 -16.025 12.134 -5.927 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.444 13.240 -5.023 1.00 0.00 N ATOM 0 H LYS A 14 -13.275 11.114 -3.446 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.659 8.985 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.144 9.970 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.083 8.512 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.759 9.703 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.761 11.141 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.470 10.067 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.707 10.912 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.938 12.056 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.326 12.366 -6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.949 13.965 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.072 12.865 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.604 13.664 -4.581 1.00 0.00 H new ATOM 186 N ALA A 15 -12.140 7.980 -4.277 1.00 0.00 N ATOM 187 CA ALA A 15 -11.269 6.845 -4.559 1.00 0.00 C ATOM 188 C ALA A 15 -10.755 6.214 -3.269 1.00 0.00 C ATOM 189 O ALA A 15 -10.868 5.005 -3.071 1.00 0.00 O ATOM 190 CB ALA A 15 -10.105 7.279 -5.437 1.00 0.00 C ATOM 0 H ALA A 15 -11.910 8.828 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.852 6.094 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.463 6.422 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.487 7.677 -6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.530 8.050 -4.924 1.00 0.00 H new ATOM 196 N ALA A 16 -10.190 7.041 -2.396 1.00 0.00 N ATOM 197 CA ALA A 16 -9.660 6.563 -1.125 1.00 0.00 C ATOM 198 C ALA A 16 -10.632 5.599 -0.452 1.00 0.00 C ATOM 199 O ALA A 16 -10.239 4.529 0.011 1.00 0.00 O ATOM 200 CB ALA A 16 -9.356 7.736 -0.205 1.00 0.00 C ATOM 0 H ALA A 16 -10.087 8.045 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.734 6.023 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.961 7.364 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.619 8.386 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.270 8.299 -0.020 1.00 0.00 H new ATOM 206 N ALA A 17 -11.902 5.987 -0.401 1.00 0.00 N ATOM 207 CA ALA A 17 -12.930 5.157 0.214 1.00 0.00 C ATOM 208 C ALA A 17 -13.105 3.846 -0.546 1.00 0.00 C ATOM 209 O ALA A 17 -13.490 2.829 0.031 1.00 0.00 O ATOM 210 CB ALA A 17 -14.249 5.912 0.279 1.00 0.00 C ATOM 0 H ALA A 17 -12.243 6.871 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.610 4.918 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.008 5.280 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.121 6.817 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.565 6.180 -0.729 1.00 0.00 H new ATOM 216 N HIS A 18 -12.820 3.878 -1.844 1.00 0.00 N ATOM 217 CA HIS A 18 -12.946 2.692 -2.684 1.00 0.00 C ATOM 218 C HIS A 18 -11.781 1.735 -2.451 1.00 0.00 C ATOM 219 O HIS A 18 -11.930 0.518 -2.570 1.00 0.00 O ATOM 220 CB HIS A 18 -13.009 3.090 -4.159 1.00 0.00 C ATOM 221 CG HIS A 18 -13.815 2.149 -4.999 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.956 1.521 -4.543 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.642 1.731 -6.275 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.448 0.757 -5.502 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.670 0.866 -6.563 1.00 0.00 N ATOM 0 H HIS A 18 -12.500 4.712 -2.337 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.871 2.182 -2.414 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.434 4.090 -4.239 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.995 3.142 -4.557 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.845 2.023 -6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.336 0.147 -5.430 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.809 0.386 -7.452 1.00 0.00 H new ATOM 234 N LEU A 19 -10.622 2.293 -2.120 1.00 0.00 N ATOM 235 CA LEU A 19 -9.430 1.489 -1.871 1.00 0.00 C ATOM 236 C LEU A 19 -9.751 0.305 -0.964 1.00 0.00 C ATOM 237 O LEU A 19 -9.382 -0.831 -1.259 1.00 0.00 O ATOM 238 CB LEU A 19 -8.334 2.349 -1.238 1.00 0.00 C ATOM 239 CG LEU A 19 -6.895 1.938 -1.550 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.912 2.812 -0.786 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.675 0.469 -1.217 1.00 0.00 C ATOM 0 H LEU A 19 -10.482 3.298 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.075 1.104 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.475 3.380 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.468 2.335 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.721 2.078 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.893 2.504 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.052 3.854 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.086 2.705 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.645 0.194 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.868 0.303 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.354 -0.144 -1.810 1.00 0.00 H new ATOM 253 N GLN A 20 -10.440 0.581 0.138 1.00 0.00 N ATOM 254 CA GLN A 20 -10.812 -0.463 1.086 1.00 0.00 C ATOM 255 C GLN A 20 -11.582 -1.581 0.392 1.00 0.00 C ATOM 256 O GLN A 20 -11.532 -2.736 0.811 1.00 0.00 O ATOM 257 CB GLN A 20 -11.654 0.126 2.220 1.00 0.00 C ATOM 258 CG GLN A 20 -10.926 1.184 3.032 1.00 0.00 C ATOM 259 CD GLN A 20 -9.999 0.586 4.072 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.420 -0.209 4.913 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.727 0.966 4.020 1.00 0.00 N ATOM 0 H GLN A 20 -10.752 1.517 0.397 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.897 -0.883 1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.560 0.562 1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.967 -0.679 2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.350 1.820 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.657 1.823 3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.421 1.627 3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.056 0.597 4.694 1.00 0.00 H new ATOM 270 N GLY A 21 -12.296 -1.228 -0.673 1.00 0.00 N ATOM 271 CA GLY A 21 -13.068 -2.213 -1.409 1.00 0.00 C ATOM 272 C GLY A 21 -12.255 -2.896 -2.490 1.00 0.00 C ATOM 273 O GLY A 21 -12.660 -3.932 -3.021 1.00 0.00 O ATOM 0 H GLY A 21 -12.354 -0.278 -1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.449 -2.963 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.933 -1.728 -1.861 1.00 0.00 H new ATOM 277 N LEU A 22 -11.106 -2.316 -2.820 1.00 0.00 N ATOM 278 CA LEU A 22 -10.234 -2.875 -3.847 1.00 0.00 C ATOM 279 C LEU A 22 -9.001 -3.521 -3.223 1.00 0.00 C ATOM 280 O LEU A 22 -8.019 -3.799 -3.911 1.00 0.00 O ATOM 281 CB LEU A 22 -9.810 -1.785 -4.832 1.00 0.00 C ATOM 282 CG LEU A 22 -10.925 -0.874 -5.347 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.370 0.146 -6.329 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.029 -1.696 -5.995 1.00 0.00 C ATOM 0 H LEU A 22 -10.757 -1.459 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.791 -3.643 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.054 -1.164 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.334 -2.263 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.350 -0.337 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.178 0.785 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.616 0.757 -5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.918 -0.372 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.814 -1.031 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.619 -2.261 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.447 -2.386 -5.262 1.00 0.00 H new ATOM 296 N ILE A 23 -9.061 -3.757 -1.917 1.00 0.00 N ATOM 297 CA ILE A 23 -7.950 -4.373 -1.201 1.00 0.00 C ATOM 298 C ILE A 23 -7.714 -5.802 -1.678 1.00 0.00 C ATOM 299 O ILE A 23 -6.580 -6.280 -1.696 1.00 0.00 O ATOM 300 CB ILE A 23 -8.198 -4.386 0.319 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.502 -2.972 0.820 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.994 -4.965 1.047 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.315 -2.037 0.746 1.00 0.00 C ATOM 0 H ILE A 23 -9.866 -3.531 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.066 -3.771 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.061 -5.018 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.320 -2.555 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.847 -3.027 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.184 -4.968 2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.820 -5.986 0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.114 -4.357 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.603 -1.053 1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.503 -2.431 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.983 -1.952 -0.289 1.00 0.00 H new ATOM 315 N GLN A 24 -8.791 -6.477 -2.066 1.00 0.00 N ATOM 316 CA GLN A 24 -8.700 -7.851 -2.544 1.00 0.00 C ATOM 317 C GLN A 24 -8.158 -7.896 -3.969 1.00 0.00 C ATOM 318 O GLN A 24 -7.644 -8.921 -4.417 1.00 0.00 O ATOM 319 CB GLN A 24 -10.071 -8.526 -2.486 1.00 0.00 C ATOM 320 CG GLN A 24 -10.825 -8.261 -1.192 1.00 0.00 C ATOM 321 CD GLN A 24 -12.253 -8.768 -1.235 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.562 -9.833 -0.701 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.134 -8.004 -1.872 1.00 0.00 N ATOM 0 H GLN A 24 -9.737 -6.095 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.010 -8.390 -1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.673 -8.179 -3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.943 -9.601 -2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.299 -8.738 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.830 -7.190 -0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.834 -7.128 -2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.110 -8.293 -1.932 1.00 0.00 H new ATOM 332 N VAL A 25 -8.277 -6.778 -4.678 1.00 0.00 N ATOM 333 CA VAL A 25 -7.799 -6.690 -6.053 1.00 0.00 C ATOM 334 C VAL A 25 -6.475 -5.938 -6.126 1.00 0.00 C ATOM 335 O VAL A 25 -5.780 -5.983 -7.141 1.00 0.00 O ATOM 336 CB VAL A 25 -8.826 -5.988 -6.961 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.160 -6.719 -6.922 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.994 -4.533 -6.549 1.00 0.00 C ATOM 0 H VAL A 25 -8.700 -5.921 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.654 -7.712 -6.404 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.456 -6.011 -7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.873 -6.209 -7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.024 -7.743 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.540 -6.729 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.723 -4.052 -7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.342 -4.485 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.037 -4.018 -6.633 1.00 0.00 H new ATOM 348 N ALA A 26 -6.131 -5.248 -5.044 1.00 0.00 N ATOM 349 CA ALA A 26 -4.889 -4.489 -4.985 1.00 0.00 C ATOM 350 C ALA A 26 -3.732 -5.363 -4.512 1.00 0.00 C ATOM 351 O ALA A 26 -3.826 -6.027 -3.479 1.00 0.00 O ATOM 352 CB ALA A 26 -5.050 -3.284 -4.070 1.00 0.00 C ATOM 0 H ALA A 26 -6.696 -5.199 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.658 -4.140 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.114 -2.726 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.842 -2.640 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.309 -3.621 -3.066 1.00 0.00 H new ATOM 358 N SER A 27 -2.644 -5.360 -5.274 1.00 0.00 N ATOM 359 CA SER A 27 -1.471 -6.157 -4.935 1.00 0.00 C ATOM 360 C SER A 27 -0.616 -5.448 -3.889 1.00 0.00 C ATOM 361 O SER A 27 -0.583 -4.219 -3.828 1.00 0.00 O ATOM 362 CB SER A 27 -0.637 -6.435 -6.188 1.00 0.00 C ATOM 363 OG SER A 27 -1.326 -7.296 -7.078 1.00 0.00 O ATOM 0 H SER A 27 -2.550 -4.814 -6.131 1.00 0.00 H new ATOM 0 HA SER A 27 -1.814 -7.104 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.406 -5.496 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.314 -6.886 -5.903 1.00 0.00 H new ATOM 0 HG SER A 27 -0.773 -7.457 -7.871 1.00 0.00 H new ATOM 369 N ARG A 28 0.074 -6.232 -3.067 1.00 0.00 N ATOM 370 CA ARG A 28 0.928 -5.681 -2.022 1.00 0.00 C ATOM 371 C ARG A 28 1.640 -4.422 -2.509 1.00 0.00 C ATOM 372 O ARG A 28 1.767 -3.445 -1.772 1.00 0.00 O ATOM 373 CB ARG A 28 1.957 -6.720 -1.574 1.00 0.00 C ATOM 374 CG ARG A 28 2.931 -7.124 -2.668 1.00 0.00 C ATOM 375 CD ARG A 28 2.233 -7.891 -3.780 1.00 0.00 C ATOM 376 NE ARG A 28 3.153 -8.761 -4.507 1.00 0.00 N ATOM 377 CZ ARG A 28 2.769 -9.610 -5.454 1.00 0.00 C ATOM 378 NH1 ARG A 28 1.489 -9.702 -5.787 1.00 0.00 N ATOM 379 NH2 ARG A 28 3.667 -10.369 -6.070 1.00 0.00 N ATOM 0 H ARG A 28 0.058 -7.251 -3.105 1.00 0.00 H new ATOM 0 HA ARG A 28 0.296 -5.416 -1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.518 -6.322 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.433 -7.608 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.406 -6.234 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.723 -7.739 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.427 -8.490 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.776 -7.186 -4.474 1.00 0.00 H new ATOM 0 HE ARG A 28 4.145 -8.714 -4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.796 -9.120 -5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.197 -10.355 -6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.653 -10.301 -5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.371 -11.021 -6.797 1.00 0.00 H new ATOM 393 N GLU A 29 2.102 -4.454 -3.756 1.00 0.00 N ATOM 394 CA GLU A 29 2.802 -3.316 -4.340 1.00 0.00 C ATOM 395 C GLU A 29 1.849 -2.144 -4.557 1.00 0.00 C ATOM 396 O GLU A 29 2.179 -0.999 -4.252 1.00 0.00 O ATOM 397 CB GLU A 29 3.449 -3.714 -5.668 1.00 0.00 C ATOM 398 CG GLU A 29 4.630 -4.657 -5.512 1.00 0.00 C ATOM 399 CD GLU A 29 5.263 -5.025 -6.839 1.00 0.00 C ATOM 400 OE1 GLU A 29 4.713 -5.907 -7.533 1.00 0.00 O ATOM 401 OE2 GLU A 29 6.306 -4.433 -7.185 1.00 0.00 O ATOM 0 H GLU A 29 2.004 -5.255 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 29 3.581 -3.005 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.698 -4.187 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.780 -2.814 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.380 -4.191 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.301 -5.565 -5.007 1.00 0.00 H new ATOM 408 N GLN A 30 0.666 -2.441 -5.086 1.00 0.00 N ATOM 409 CA GLN A 30 -0.334 -1.412 -5.345 1.00 0.00 C ATOM 410 C GLN A 30 -0.708 -0.680 -4.060 1.00 0.00 C ATOM 411 O GLN A 30 -0.844 0.544 -4.048 1.00 0.00 O ATOM 412 CB GLN A 30 -1.583 -2.032 -5.974 1.00 0.00 C ATOM 413 CG GLN A 30 -1.364 -2.539 -7.390 1.00 0.00 C ATOM 414 CD GLN A 30 -1.216 -1.415 -8.396 1.00 0.00 C ATOM 415 OE1 GLN A 30 -0.657 -0.361 -8.089 1.00 0.00 O ATOM 416 NE2 GLN A 30 -1.717 -1.633 -9.606 1.00 0.00 N ATOM 0 H GLN A 30 0.377 -3.385 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 30 0.095 -0.691 -6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.922 -2.859 -5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.382 -1.290 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.471 -3.163 -7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.203 -3.172 -7.679 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.172 -2.521 -9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.647 -0.912 -10.324 1.00 0.00 H new ATOM 425 N LEU A 31 -0.872 -1.437 -2.981 1.00 0.00 N ATOM 426 CA LEU A 31 -1.231 -0.860 -1.689 1.00 0.00 C ATOM 427 C LEU A 31 -0.299 0.294 -1.331 1.00 0.00 C ATOM 428 O LEU A 31 -0.744 1.343 -0.864 1.00 0.00 O ATOM 429 CB LEU A 31 -1.178 -1.930 -0.598 1.00 0.00 C ATOM 430 CG LEU A 31 -2.418 -2.815 -0.465 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.572 -2.029 0.138 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.812 -3.388 -1.819 1.00 0.00 C ATOM 0 H LEU A 31 -0.762 -2.451 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.248 -0.474 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.317 -2.571 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.004 -1.437 0.358 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.180 -3.643 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.446 -2.675 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.288 -1.667 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.810 -1.181 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.696 -4.015 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.031 -2.573 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.991 -3.987 -2.214 1.00 0.00 H new ATOM 444 N LEU A 32 0.995 0.094 -1.555 1.00 0.00 N ATOM 445 CA LEU A 32 1.990 1.118 -1.258 1.00 0.00 C ATOM 446 C LEU A 32 1.862 2.296 -2.218 1.00 0.00 C ATOM 447 O LEU A 32 1.727 3.444 -1.794 1.00 0.00 O ATOM 448 CB LEU A 32 3.399 0.528 -1.342 1.00 0.00 C ATOM 449 CG LEU A 32 4.490 1.284 -0.582 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.658 0.715 0.818 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.806 1.229 -1.344 1.00 0.00 C ATOM 0 H LEU A 32 1.380 -0.768 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 32 1.813 1.478 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.366 -0.495 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.687 0.474 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 32 4.188 2.327 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.438 1.266 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.719 0.807 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.937 -0.337 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.571 1.772 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.114 0.190 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.677 1.685 -2.325 1.00 0.00 H new ATOM 463 N TYR A 33 1.904 2.004 -3.514 1.00 0.00 N ATOM 464 CA TYR A 33 1.793 3.039 -4.534 1.00 0.00 C ATOM 465 C TYR A 33 0.830 4.137 -4.095 1.00 0.00 C ATOM 466 O TYR A 33 1.190 5.314 -4.049 1.00 0.00 O ATOM 467 CB TYR A 33 1.323 2.432 -5.857 1.00 0.00 C ATOM 468 CG TYR A 33 1.458 3.369 -7.036 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.700 3.857 -7.421 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.343 3.767 -7.763 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.828 4.715 -8.497 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.462 4.623 -8.841 1.00 0.00 C ATOM 473 CZ TYR A 33 1.706 5.094 -9.204 1.00 0.00 C ATOM 474 OH TYR A 33 1.829 5.948 -10.276 1.00 0.00 O ATOM 0 H TYR A 33 2.014 1.059 -3.882 1.00 0.00 H new ATOM 0 HA TYR A 33 2.779 3.481 -4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.897 1.527 -6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.279 2.133 -5.759 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.581 3.561 -6.870 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.633 3.401 -7.481 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.801 5.087 -8.783 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.415 4.922 -9.396 1.00 0.00 H new ATOM 0 HH TYR A 33 1.357 5.573 -11.049 1.00 0.00 H new ATOM 484 N LEU A 34 -0.397 3.743 -3.771 1.00 0.00 N ATOM 485 CA LEU A 34 -1.415 4.693 -3.333 1.00 0.00 C ATOM 486 C LEU A 34 -0.953 5.453 -2.095 1.00 0.00 C ATOM 487 O LEU A 34 -1.231 6.643 -1.945 1.00 0.00 O ATOM 488 CB LEU A 34 -2.727 3.964 -3.039 1.00 0.00 C ATOM 489 CG LEU A 34 -3.199 2.973 -4.104 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.529 2.354 -3.705 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.312 3.660 -5.458 1.00 0.00 C ATOM 0 H LEU A 34 -0.711 2.773 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.578 5.411 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.618 3.428 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.509 4.710 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.461 2.175 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.849 1.652 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.415 1.827 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.278 3.139 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.649 2.940 -6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.030 4.478 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.338 4.054 -5.748 1.00 0.00 H new ATOM 503 N TYR A 35 -0.246 4.759 -1.210 1.00 0.00 N ATOM 504 CA TYR A 35 0.255 5.369 0.016 1.00 0.00 C ATOM 505 C TYR A 35 1.308 6.429 -0.293 1.00 0.00 C ATOM 506 O TYR A 35 1.264 7.537 0.240 1.00 0.00 O ATOM 507 CB TYR A 35 0.846 4.300 0.937 1.00 0.00 C ATOM 508 CG TYR A 35 1.642 4.868 2.090 1.00 0.00 C ATOM 509 CD1 TYR A 35 2.840 5.538 1.870 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.198 4.735 3.400 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.572 6.057 2.920 1.00 0.00 C ATOM 512 CE2 TYR A 35 1.922 5.253 4.456 1.00 0.00 C ATOM 513 CZ TYR A 35 3.108 5.913 4.211 1.00 0.00 C ATOM 514 OH TYR A 35 3.833 6.430 5.261 1.00 0.00 O ATOM 0 H TYR A 35 -0.007 3.773 -1.319 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.582 5.852 0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.037 3.685 1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.489 3.643 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.205 5.655 0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.271 4.218 3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.502 6.572 2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.561 5.142 5.468 1.00 0.00 H new ATOM 0 HH TYR A 35 3.368 6.244 6.103 1.00 0.00 H new ATOM 524 N ALA A 36 2.253 6.079 -1.159 1.00 0.00 N ATOM 525 CA ALA A 36 3.316 7.000 -1.542 1.00 0.00 C ATOM 526 C ALA A 36 2.753 8.371 -1.899 1.00 0.00 C ATOM 527 O ALA A 36 2.998 9.355 -1.200 1.00 0.00 O ATOM 528 CB ALA A 36 4.110 6.433 -2.710 1.00 0.00 C ATOM 0 H ALA A 36 2.304 5.165 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 36 3.983 7.121 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.900 7.131 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.552 5.480 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.447 6.282 -3.562 1.00 0.00 H new ATOM 534 N ARG A 37 1.998 8.430 -2.991 1.00 0.00 N ATOM 535 CA ARG A 37 1.401 9.681 -3.441 1.00 0.00 C ATOM 536 C ARG A 37 0.412 10.215 -2.409 1.00 0.00 C ATOM 537 O ARG A 37 0.493 11.372 -1.997 1.00 0.00 O ATOM 538 CB ARG A 37 0.695 9.481 -4.783 1.00 0.00 C ATOM 539 CG ARG A 37 1.648 9.344 -5.959 1.00 0.00 C ATOM 540 CD ARG A 37 0.932 8.839 -7.202 1.00 0.00 C ATOM 541 NE ARG A 37 -0.033 7.788 -6.888 1.00 0.00 N ATOM 542 CZ ARG A 37 0.311 6.577 -6.464 1.00 0.00 C ATOM 543 NH1 ARG A 37 1.590 6.265 -6.305 1.00 0.00 N ATOM 544 NH2 ARG A 37 -0.625 5.675 -6.199 1.00 0.00 N ATOM 0 H ARG A 37 1.785 7.625 -3.581 1.00 0.00 H new ATOM 0 HA ARG A 37 2.201 10.411 -3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.071 8.589 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.029 10.325 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.108 10.309 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.453 8.657 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.419 9.669 -7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.665 8.458 -7.913 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.025 7.995 -7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.313 6.956 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.851 5.334 -5.979 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.610 5.911 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.360 4.745 -5.874 1.00 0.00 H new ATOM 558 N TYR A 38 -0.520 9.364 -1.996 1.00 0.00 N ATOM 559 CA TYR A 38 -1.526 9.750 -1.014 1.00 0.00 C ATOM 560 C TYR A 38 -0.892 10.513 0.145 1.00 0.00 C ATOM 561 O TYR A 38 -1.440 11.507 0.624 1.00 0.00 O ATOM 562 CB TYR A 38 -2.255 8.513 -0.486 1.00 0.00 C ATOM 563 CG TYR A 38 -3.244 8.817 0.617 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.812 9.260 1.861 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.610 8.662 0.415 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.711 9.538 2.872 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.516 8.940 1.419 1.00 0.00 C ATOM 568 CZ TYR A 38 -5.063 9.377 2.646 1.00 0.00 C ATOM 569 OH TYR A 38 -5.963 9.654 3.650 1.00 0.00 O ATOM 0 H TYR A 38 -0.600 8.402 -2.326 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.245 10.405 -1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.780 8.032 -1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.520 7.799 -0.116 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.755 9.389 2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.969 8.318 -0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.358 9.879 3.834 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.575 8.816 1.244 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.874 9.490 3.327 1.00 0.00 H new ATOM 579 N LYS A 39 0.267 10.042 0.591 1.00 0.00 N ATOM 580 CA LYS A 39 0.980 10.679 1.692 1.00 0.00 C ATOM 581 C LYS A 39 1.689 11.945 1.222 1.00 0.00 C ATOM 582 O LYS A 39 1.948 12.851 2.013 1.00 0.00 O ATOM 583 CB LYS A 39 1.996 9.709 2.299 1.00 0.00 C ATOM 584 CG LYS A 39 1.401 8.778 3.342 1.00 0.00 C ATOM 585 CD LYS A 39 1.066 9.521 4.624 1.00 0.00 C ATOM 586 CE LYS A 39 2.322 9.982 5.347 1.00 0.00 C ATOM 587 NZ LYS A 39 2.090 10.154 6.808 1.00 0.00 N ATOM 0 H LYS A 39 0.733 9.220 0.207 1.00 0.00 H new ATOM 0 HA LYS A 39 0.250 10.954 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.437 9.112 1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.805 10.281 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.500 8.312 2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.105 7.975 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.441 10.384 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.485 8.873 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.119 9.256 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.661 10.926 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.970 10.469 7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.347 10.866 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.791 9.248 7.221 1.00 0.00 H new ATOM 601 N GLN A 40 1.997 12.000 -0.070 1.00 0.00 N ATOM 602 CA GLN A 40 2.674 13.156 -0.645 1.00 0.00 C ATOM 603 C GLN A 40 1.706 14.321 -0.825 1.00 0.00 C ATOM 604 O GLN A 40 2.073 15.481 -0.640 1.00 0.00 O ATOM 605 CB GLN A 40 3.304 12.788 -1.989 1.00 0.00 C ATOM 606 CG GLN A 40 3.774 13.992 -2.791 1.00 0.00 C ATOM 607 CD GLN A 40 5.094 14.546 -2.292 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.836 13.868 -1.581 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.394 15.785 -2.664 1.00 0.00 N ATOM 0 H GLN A 40 1.788 11.258 -0.738 1.00 0.00 H new ATOM 0 HA GLN A 40 3.460 13.465 0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.151 12.125 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.579 12.229 -2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.876 13.709 -3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.015 14.773 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.749 16.311 -3.254 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.269 16.211 -2.360 1.00 0.00 H new ATOM 618 N VAL A 41 0.468 14.003 -1.189 1.00 0.00 N ATOM 619 CA VAL A 41 -0.554 15.023 -1.393 1.00 0.00 C ATOM 620 C VAL A 41 -1.094 15.535 -0.063 1.00 0.00 C ATOM 621 O VAL A 41 -1.624 16.643 0.020 1.00 0.00 O ATOM 622 CB VAL A 41 -1.725 14.483 -2.236 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.205 13.696 -3.430 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.645 13.626 -1.381 1.00 0.00 C ATOM 0 H VAL A 41 0.148 13.048 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.078 15.845 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.300 15.329 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.046 13.322 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.590 14.345 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.605 12.856 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.467 13.253 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.084 12.785 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.045 14.225 -0.563 1.00 0.00 H new ATOM 634 N LYS A 42 -0.955 14.722 0.978 1.00 0.00 N ATOM 635 CA LYS A 42 -1.427 15.091 2.307 1.00 0.00 C ATOM 636 C LYS A 42 -0.332 15.807 3.094 1.00 0.00 C ATOM 637 O LYS A 42 -0.586 16.814 3.755 1.00 0.00 O ATOM 638 CB LYS A 42 -1.889 13.848 3.071 1.00 0.00 C ATOM 639 CG LYS A 42 -3.200 13.274 2.563 1.00 0.00 C ATOM 640 CD LYS A 42 -4.371 14.188 2.884 1.00 0.00 C ATOM 641 CE LYS A 42 -5.682 13.615 2.367 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.839 14.035 3.206 1.00 0.00 N ATOM 0 H LYS A 42 -0.518 13.802 0.927 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.270 15.771 2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.116 13.082 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.997 14.100 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.139 13.124 1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.368 12.295 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.436 14.333 3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.201 15.169 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.841 13.941 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.621 12.527 2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.714 13.624 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.700 13.702 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.912 15.072 3.202 1.00 0.00 H new ATOM 656 N VAL A 43 0.886 15.281 3.016 1.00 0.00 N ATOM 657 CA VAL A 43 2.019 15.871 3.718 1.00 0.00 C ATOM 658 C VAL A 43 2.897 16.676 2.766 1.00 0.00 C ATOM 659 O VAL A 43 2.985 17.898 2.871 1.00 0.00 O ATOM 660 CB VAL A 43 2.879 14.791 4.403 1.00 0.00 C ATOM 661 CG1 VAL A 43 3.909 15.431 5.321 1.00 0.00 C ATOM 662 CG2 VAL A 43 1.999 13.818 5.172 1.00 0.00 C ATOM 0 H VAL A 43 1.113 14.448 2.474 1.00 0.00 H new ATOM 0 HA VAL A 43 1.609 16.535 4.479 1.00 0.00 H new ATOM 0 HB VAL A 43 3.411 14.233 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.507 14.653 5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.559 16.084 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.400 16.016 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.623 13.062 5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.438 14.359 5.934 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.305 13.334 4.485 1.00 0.00 H new ATOM 672 N GLY A 44 3.545 15.980 1.837 1.00 0.00 N ATOM 673 CA GLY A 44 4.408 16.647 0.879 1.00 0.00 C ATOM 674 C GLY A 44 5.816 16.085 0.877 1.00 0.00 C ATOM 675 O GLY A 44 6.015 14.893 0.648 1.00 0.00 O ATOM 0 H GLY A 44 3.488 14.967 1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.980 16.551 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.446 17.712 1.108 1.00 0.00 H new ATOM 679 N ASN A 45 6.795 16.947 1.131 1.00 0.00 N ATOM 680 CA ASN A 45 8.193 16.530 1.156 1.00 0.00 C ATOM 681 C ASN A 45 8.428 15.479 2.237 1.00 0.00 C ATOM 682 O ASN A 45 7.981 15.634 3.374 1.00 0.00 O ATOM 683 CB ASN A 45 9.102 17.736 1.394 1.00 0.00 C ATOM 684 CG ASN A 45 8.903 18.825 0.357 1.00 0.00 C ATOM 685 OD1 ASN A 45 8.207 19.810 0.601 1.00 0.00 O ATOM 686 ND2 ASN A 45 9.516 18.650 -0.808 1.00 0.00 N ATOM 0 H ASN A 45 6.647 17.938 1.322 1.00 0.00 H new ATOM 0 HA ASN A 45 8.432 16.089 0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.908 18.143 2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.142 17.411 1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.420 19.348 -1.545 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.083 17.817 -0.966 1.00 0.00 H new ATOM 693 N CYS A 46 9.132 14.413 1.875 1.00 0.00 N ATOM 694 CA CYS A 46 9.428 13.337 2.814 1.00 0.00 C ATOM 695 C CYS A 46 10.550 13.738 3.765 1.00 0.00 C ATOM 696 O CYS A 46 11.548 13.030 3.896 1.00 0.00 O ATOM 697 CB CYS A 46 9.813 12.064 2.058 1.00 0.00 C ATOM 698 SG CYS A 46 9.931 10.593 3.103 1.00 0.00 S ATOM 0 H CYS A 46 9.509 14.270 0.938 1.00 0.00 H new ATOM 0 HA CYS A 46 8.531 13.144 3.402 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.077 11.882 1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.771 12.223 1.564 1.00 0.00 H new ATOM 0 HG CYS A 46 9.724 10.924 4.343 1.00 0.00 H new ATOM 704 N ASN A 47 10.380 14.878 4.426 1.00 0.00 N ATOM 705 CA ASN A 47 11.380 15.374 5.364 1.00 0.00 C ATOM 706 C ASN A 47 11.717 14.317 6.411 1.00 0.00 C ATOM 707 O ASN A 47 12.832 14.276 6.932 1.00 0.00 O ATOM 708 CB ASN A 47 10.879 16.646 6.051 1.00 0.00 C ATOM 709 CG ASN A 47 9.838 16.356 7.115 1.00 0.00 C ATOM 710 OD1 ASN A 47 10.162 16.207 8.293 1.00 0.00 O ATOM 711 ND2 ASN A 47 8.578 16.274 6.703 1.00 0.00 N ATOM 0 H ASN A 47 9.559 15.476 4.329 1.00 0.00 H new ATOM 0 HA ASN A 47 12.285 15.604 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.722 17.167 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.454 17.316 5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.834 16.081 7.373 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.355 16.404 5.716 1.00 0.00 H new ATOM 718 N THR A 48 10.746 13.461 6.713 1.00 0.00 N ATOM 719 CA THR A 48 10.939 12.403 7.697 1.00 0.00 C ATOM 720 C THR A 48 12.276 11.700 7.494 1.00 0.00 C ATOM 721 O THR A 48 12.791 11.603 6.380 1.00 0.00 O ATOM 722 CB THR A 48 9.808 11.360 7.629 1.00 0.00 C ATOM 723 OG1 THR A 48 9.457 11.106 6.264 1.00 0.00 O ATOM 724 CG2 THR A 48 8.582 11.839 8.392 1.00 0.00 C ATOM 0 H THR A 48 9.818 13.480 6.290 1.00 0.00 H new ATOM 0 HA THR A 48 10.927 12.878 8.678 1.00 0.00 H new ATOM 0 HB THR A 48 10.166 10.439 8.090 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.738 10.441 6.229 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.797 11.085 8.329 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.845 12.003 9.437 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.224 12.772 7.957 1.00 0.00 H new ATOM 732 N PRO A 49 12.854 11.196 8.595 1.00 0.00 N ATOM 733 CA PRO A 49 14.139 10.492 8.563 1.00 0.00 C ATOM 734 C PRO A 49 14.039 9.135 7.875 1.00 0.00 C ATOM 735 O PRO A 49 13.005 8.469 7.938 1.00 0.00 O ATOM 736 CB PRO A 49 14.484 10.317 10.044 1.00 0.00 C ATOM 737 CG PRO A 49 13.170 10.340 10.745 1.00 0.00 C ATOM 738 CD PRO A 49 12.296 11.275 9.956 1.00 0.00 C ATOM 0 HA PRO A 49 14.892 11.042 7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.010 9.379 10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.134 11.118 10.396 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.734 9.342 10.789 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.282 10.685 11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.251 10.965 9.981 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.337 12.291 10.349 1.00 0.00 H new ATOM 746 N LYS A 50 15.120 8.728 7.218 1.00 0.00 N ATOM 747 CA LYS A 50 15.156 7.449 6.519 1.00 0.00 C ATOM 748 C LYS A 50 15.037 6.289 7.502 1.00 0.00 C ATOM 749 O LYS A 50 15.683 6.263 8.550 1.00 0.00 O ATOM 750 CB LYS A 50 16.451 7.320 5.715 1.00 0.00 C ATOM 751 CG LYS A 50 16.384 6.271 4.619 1.00 0.00 C ATOM 752 CD LYS A 50 17.677 6.215 3.821 1.00 0.00 C ATOM 753 CE LYS A 50 17.718 4.995 2.913 1.00 0.00 C ATOM 754 NZ LYS A 50 19.041 4.847 2.245 1.00 0.00 N ATOM 0 H LYS A 50 15.984 9.267 7.155 1.00 0.00 H new ATOM 0 HA LYS A 50 14.307 7.412 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.689 8.285 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.267 7.073 6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.185 5.294 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.552 6.494 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.775 7.120 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.527 6.191 4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.503 4.100 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.937 5.078 2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.030 4.005 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.235 5.690 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.784 4.743 2.965 1.00 0.00 H new ATOM 768 N PRO A 51 14.194 5.304 7.158 1.00 0.00 N ATOM 769 CA PRO A 51 13.973 4.122 7.996 1.00 0.00 C ATOM 770 C PRO A 51 15.189 3.202 8.032 1.00 0.00 C ATOM 771 O PRO A 51 16.004 3.199 7.110 1.00 0.00 O ATOM 772 CB PRO A 51 12.793 3.422 7.318 1.00 0.00 C ATOM 773 CG PRO A 51 12.855 3.864 5.897 1.00 0.00 C ATOM 774 CD PRO A 51 13.392 5.269 5.924 1.00 0.00 C ATOM 0 HA PRO A 51 13.787 4.389 9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.876 2.338 7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.847 3.705 7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.502 3.210 5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.868 3.832 5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.999 5.484 5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.589 6.006 5.946 1.00 0.00 H new ATOM 782 N SER A 52 15.303 2.421 9.102 1.00 0.00 N ATOM 783 CA SER A 52 16.421 1.499 9.260 1.00 0.00 C ATOM 784 C SER A 52 16.325 0.353 8.257 1.00 0.00 C ATOM 785 O SER A 52 15.234 -0.024 7.829 1.00 0.00 O ATOM 786 CB SER A 52 16.454 0.943 10.685 1.00 0.00 C ATOM 787 OG SER A 52 17.768 0.559 11.052 1.00 0.00 O ATOM 0 H SER A 52 14.634 2.409 9.872 1.00 0.00 H new ATOM 0 HA SER A 52 17.343 2.049 9.071 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.084 1.696 11.381 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.787 0.084 10.759 1.00 0.00 H new ATOM 0 HG SER A 52 17.763 0.209 11.967 1.00 0.00 H new ATOM 793 N PHE A 53 17.477 -0.197 7.885 1.00 0.00 N ATOM 794 CA PHE A 53 17.524 -1.299 6.931 1.00 0.00 C ATOM 795 C PHE A 53 16.630 -2.450 7.384 1.00 0.00 C ATOM 796 O PHE A 53 15.954 -3.082 6.573 1.00 0.00 O ATOM 797 CB PHE A 53 18.963 -1.793 6.762 1.00 0.00 C ATOM 798 CG PHE A 53 19.063 -3.118 6.062 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.866 -4.300 6.758 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.355 -3.182 4.709 1.00 0.00 C ATOM 801 CE1 PHE A 53 18.958 -5.521 6.117 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.447 -4.400 4.063 1.00 0.00 C ATOM 803 CZ PHE A 53 19.250 -5.571 4.768 1.00 0.00 C ATOM 0 H PHE A 53 18.389 0.102 8.229 1.00 0.00 H new ATOM 0 HA PHE A 53 17.157 -0.933 5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.530 -1.051 6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.429 -1.874 7.744 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.638 -4.267 7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.512 -2.270 4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.802 -6.435 6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 53 19.673 -4.436 3.007 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.324 -6.524 4.265 1.00 0.00 H new ATOM 813 N PHE A 54 16.632 -2.715 8.686 1.00 0.00 N ATOM 814 CA PHE A 54 15.823 -3.790 9.249 1.00 0.00 C ATOM 815 C PHE A 54 14.348 -3.594 8.911 1.00 0.00 C ATOM 816 O PHE A 54 13.737 -4.429 8.244 1.00 0.00 O ATOM 817 CB PHE A 54 16.006 -3.855 10.766 1.00 0.00 C ATOM 818 CG PHE A 54 17.152 -4.726 11.195 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.434 -4.487 10.728 1.00 0.00 C ATOM 820 CD2 PHE A 54 16.947 -5.784 12.066 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.491 -5.286 11.121 1.00 0.00 C ATOM 822 CE2 PHE A 54 18.000 -6.587 12.463 1.00 0.00 C ATOM 823 CZ PHE A 54 19.273 -6.338 11.989 1.00 0.00 C ATOM 0 H PHE A 54 17.185 -2.200 9.371 1.00 0.00 H new ATOM 0 HA PHE A 54 16.157 -4.730 8.810 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.164 -2.847 11.148 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.087 -4.228 11.219 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.610 -3.666 10.048 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.953 -5.984 12.439 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.486 -5.088 10.750 1.00 0.00 H new ATOM 0 HE2 PHE A 54 17.827 -7.408 13.143 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.097 -6.965 12.297 1.00 0.00 H new ATOM 833 N ASP A 55 13.783 -2.486 9.377 1.00 0.00 N ATOM 834 CA ASP A 55 12.380 -2.179 9.124 1.00 0.00 C ATOM 835 C ASP A 55 12.106 -2.079 7.627 1.00 0.00 C ATOM 836 O ASP A 55 12.147 -0.992 7.050 1.00 0.00 O ATOM 837 CB ASP A 55 11.990 -0.872 9.816 1.00 0.00 C ATOM 838 CG ASP A 55 10.488 -0.718 9.959 1.00 0.00 C ATOM 839 OD1 ASP A 55 9.872 -1.542 10.668 1.00 0.00 O ATOM 840 OD2 ASP A 55 9.929 0.226 9.362 1.00 0.00 O ATOM 0 H ASP A 55 14.275 -1.785 9.932 1.00 0.00 H new ATOM 0 HA ASP A 55 11.777 -2.991 9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.452 -0.835 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.386 -0.031 9.247 1.00 0.00 H new ATOM 845 N PHE A 56 11.829 -3.219 7.004 1.00 0.00 N ATOM 846 CA PHE A 56 11.551 -3.260 5.573 1.00 0.00 C ATOM 847 C PHE A 56 10.208 -2.606 5.261 1.00 0.00 C ATOM 848 O PHE A 56 10.145 -1.601 4.554 1.00 0.00 O ATOM 849 CB PHE A 56 11.556 -4.706 5.072 1.00 0.00 C ATOM 850 CG PHE A 56 12.392 -5.628 5.912 1.00 0.00 C ATOM 851 CD1 PHE A 56 11.850 -6.259 7.020 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.720 -5.864 5.593 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.617 -7.109 7.795 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.491 -6.713 6.364 1.00 0.00 C ATOM 855 CZ PHE A 56 13.939 -7.336 7.467 1.00 0.00 C ATOM 0 H PHE A 56 11.791 -4.127 7.467 1.00 0.00 H new ATOM 0 HA PHE A 56 12.335 -2.703 5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.532 -5.078 5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.926 -4.726 4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.817 -6.085 7.281 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.157 -5.379 4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.183 -7.595 8.656 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.524 -6.889 6.105 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.540 -7.999 8.071 1.00 0.00 H new ATOM 865 N GLU A 57 9.136 -3.185 5.793 1.00 0.00 N ATOM 866 CA GLU A 57 7.795 -2.660 5.570 1.00 0.00 C ATOM 867 C GLU A 57 7.813 -1.136 5.496 1.00 0.00 C ATOM 868 O GLU A 57 7.203 -0.540 4.609 1.00 0.00 O ATOM 869 CB GLU A 57 6.853 -3.116 6.687 1.00 0.00 C ATOM 870 CG GLU A 57 6.982 -4.591 7.028 1.00 0.00 C ATOM 871 CD GLU A 57 5.905 -5.065 7.984 1.00 0.00 C ATOM 872 OE1 GLU A 57 5.921 -4.637 9.157 1.00 0.00 O ATOM 873 OE2 GLU A 57 5.045 -5.864 7.558 1.00 0.00 O ATOM 0 H GLU A 57 9.171 -4.018 6.381 1.00 0.00 H new ATOM 0 HA GLU A 57 7.434 -3.049 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.052 -2.526 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.825 -2.909 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.932 -5.178 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.961 -4.773 7.470 1.00 0.00 H new ATOM 880 N GLY A 58 8.516 -0.511 6.435 1.00 0.00 N ATOM 881 CA GLY A 58 8.601 0.937 6.459 1.00 0.00 C ATOM 882 C GLY A 58 9.532 1.482 5.394 1.00 0.00 C ATOM 883 O GLY A 58 9.274 2.535 4.812 1.00 0.00 O ATOM 0 H GLY A 58 9.029 -0.982 7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.606 1.358 6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.948 1.261 7.440 1.00 0.00 H new ATOM 887 N LYS A 59 10.620 0.763 5.140 1.00 0.00 N ATOM 888 CA LYS A 59 11.595 1.179 4.138 1.00 0.00 C ATOM 889 C LYS A 59 10.904 1.570 2.836 1.00 0.00 C ATOM 890 O LYS A 59 10.945 2.729 2.425 1.00 0.00 O ATOM 891 CB LYS A 59 12.601 0.056 3.877 1.00 0.00 C ATOM 892 CG LYS A 59 13.886 0.530 3.222 1.00 0.00 C ATOM 893 CD LYS A 59 15.042 -0.413 3.514 1.00 0.00 C ATOM 894 CE LYS A 59 14.998 -1.642 2.619 1.00 0.00 C ATOM 895 NZ LYS A 59 15.412 -1.327 1.224 1.00 0.00 N ATOM 0 H LYS A 59 10.849 -0.111 5.614 1.00 0.00 H new ATOM 0 HA LYS A 59 12.125 2.050 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.843 -0.430 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.135 -0.697 3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.740 0.605 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.131 1.530 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.986 0.111 3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.007 -0.721 4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.653 -2.412 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.988 -2.052 2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.549 -2.212 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.674 -0.758 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.303 -0.791 1.239 1.00 0.00 H new ATOM 909 N GLN A 60 10.270 0.595 2.192 1.00 0.00 N ATOM 910 CA GLN A 60 9.569 0.838 0.937 1.00 0.00 C ATOM 911 C GLN A 60 8.635 2.037 1.058 1.00 0.00 C ATOM 912 O GLN A 60 8.588 2.894 0.175 1.00 0.00 O ATOM 913 CB GLN A 60 8.776 -0.402 0.522 1.00 0.00 C ATOM 914 CG GLN A 60 7.926 -0.982 1.641 1.00 0.00 C ATOM 915 CD GLN A 60 7.099 -2.170 1.190 1.00 0.00 C ATOM 916 OE1 GLN A 60 5.869 -2.137 1.234 1.00 0.00 O ATOM 917 NE2 GLN A 60 7.771 -3.228 0.752 1.00 0.00 N ATOM 0 H GLN A 60 10.228 -0.370 2.519 1.00 0.00 H new ATOM 0 HA GLN A 60 10.313 1.057 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.131 -0.146 -0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.469 -1.166 0.170 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.573 -1.286 2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.263 -0.208 2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.791 -3.212 0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.268 -4.056 0.435 1.00 0.00 H new ATOM 926 N LYS A 61 7.891 2.092 2.158 1.00 0.00 N ATOM 927 CA LYS A 61 6.958 3.187 2.397 1.00 0.00 C ATOM 928 C LYS A 61 7.665 4.535 2.304 1.00 0.00 C ATOM 929 O LYS A 61 7.205 5.441 1.608 1.00 0.00 O ATOM 930 CB LYS A 61 6.304 3.035 3.772 1.00 0.00 C ATOM 931 CG LYS A 61 5.270 1.924 3.835 1.00 0.00 C ATOM 932 CD LYS A 61 4.525 1.930 5.159 1.00 0.00 C ATOM 933 CE LYS A 61 3.109 1.395 5.005 1.00 0.00 C ATOM 934 NZ LYS A 61 2.220 1.851 6.109 1.00 0.00 N ATOM 0 H LYS A 61 7.916 1.391 2.898 1.00 0.00 H new ATOM 0 HA LYS A 61 6.186 3.149 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.079 2.841 4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.829 3.977 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.560 2.040 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.761 0.961 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.067 1.324 5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.490 2.946 5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.699 1.723 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.133 0.305 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.265 1.465 5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.597 1.517 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.177 2.890 6.113 1.00 0.00 H new ATOM 948 N TRP A 62 8.784 4.661 3.008 1.00 0.00 N ATOM 949 CA TRP A 62 9.554 5.899 3.004 1.00 0.00 C ATOM 950 C TRP A 62 10.087 6.203 1.608 1.00 0.00 C ATOM 951 O TRP A 62 9.991 7.333 1.130 1.00 0.00 O ATOM 952 CB TRP A 62 10.714 5.805 3.996 1.00 0.00 C ATOM 953 CG TRP A 62 11.439 7.103 4.187 1.00 0.00 C ATOM 954 CD1 TRP A 62 11.095 8.116 5.036 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.628 7.528 3.513 1.00 0.00 C ATOM 956 NE1 TRP A 62 12.000 9.145 4.931 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.950 8.809 4.004 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.454 6.951 2.545 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.061 9.519 3.556 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.556 7.657 2.102 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.852 8.930 2.608 1.00 0.00 C ATOM 0 H TRP A 62 9.178 3.921 3.589 1.00 0.00 H new ATOM 0 HA TRP A 62 8.892 6.711 3.305 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.333 5.465 4.959 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.420 5.051 3.648 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.238 8.109 5.693 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.969 10.018 5.458 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.235 5.970 2.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.290 10.501 3.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.200 7.220 1.353 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.721 9.456 2.242 1.00 0.00 H new ATOM 972 N GLU A 63 10.649 5.188 0.959 1.00 0.00 N ATOM 973 CA GLU A 63 11.197 5.349 -0.383 1.00 0.00 C ATOM 974 C GLU A 63 10.121 5.819 -1.357 1.00 0.00 C ATOM 975 O GLU A 63 10.178 6.937 -1.869 1.00 0.00 O ATOM 976 CB GLU A 63 11.803 4.032 -0.872 1.00 0.00 C ATOM 977 CG GLU A 63 13.076 3.639 -0.140 1.00 0.00 C ATOM 978 CD GLU A 63 13.892 2.612 -0.900 1.00 0.00 C ATOM 979 OE1 GLU A 63 14.002 2.739 -2.137 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.422 1.682 -0.257 1.00 0.00 O ATOM 0 H GLU A 63 10.737 4.246 1.340 1.00 0.00 H new ATOM 0 HA GLU A 63 11.980 6.107 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.066 3.237 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.017 4.114 -1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.683 4.528 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.818 3.239 0.841 1.00 0.00 H new ATOM 987 N ALA A 64 9.142 4.957 -1.609 1.00 0.00 N ATOM 988 CA ALA A 64 8.052 5.283 -2.521 1.00 0.00 C ATOM 989 C ALA A 64 7.629 6.741 -2.370 1.00 0.00 C ATOM 990 O ALA A 64 7.587 7.488 -3.348 1.00 0.00 O ATOM 991 CB ALA A 64 6.868 4.360 -2.279 1.00 0.00 C ATOM 0 H ALA A 64 9.081 4.027 -1.194 1.00 0.00 H new ATOM 0 HA ALA A 64 8.408 5.139 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.062 4.615 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.173 3.327 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.520 4.476 -1.253 1.00 0.00 H new ATOM 997 N TRP A 65 7.316 7.137 -1.142 1.00 0.00 N ATOM 998 CA TRP A 65 6.895 8.506 -0.865 1.00 0.00 C ATOM 999 C TRP A 65 8.062 9.475 -1.014 1.00 0.00 C ATOM 1000 O TRP A 65 7.881 10.625 -1.417 1.00 0.00 O ATOM 1001 CB TRP A 65 6.310 8.606 0.545 1.00 0.00 C ATOM 1002 CG TRP A 65 6.019 10.013 0.968 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.739 11.073 0.154 1.00 0.00 C ATOM 1004 CD2 TRP A 65 5.980 10.514 2.309 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.529 12.203 0.908 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.670 11.886 2.233 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.175 9.937 3.567 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.553 12.687 3.366 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.058 10.733 4.690 1.00 0.00 C ATOM 1010 CH2 TRP A 65 5.749 12.095 4.584 1.00 0.00 C ATOM 0 H TRP A 65 7.346 6.530 -0.322 1.00 0.00 H new ATOM 0 HA TRP A 65 6.127 8.777 -1.590 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.390 8.023 0.591 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.008 8.158 1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.690 11.030 -0.924 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.305 13.128 0.540 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.413 8.888 3.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.316 13.738 3.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.207 10.297 5.667 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.664 12.690 5.481 1.00 0.00 H new ATOM 1021 N LYS A 66 9.261 9.005 -0.688 1.00 0.00 N ATOM 1022 CA LYS A 66 10.460 9.830 -0.787 1.00 0.00 C ATOM 1023 C LYS A 66 10.691 10.283 -2.225 1.00 0.00 C ATOM 1024 O LYS A 66 10.880 11.470 -2.489 1.00 0.00 O ATOM 1025 CB LYS A 66 11.680 9.056 -0.283 1.00 0.00 C ATOM 1026 CG LYS A 66 13.003 9.726 -0.609 1.00 0.00 C ATOM 1027 CD LYS A 66 13.184 11.014 0.178 1.00 0.00 C ATOM 1028 CE LYS A 66 14.057 12.007 -0.573 1.00 0.00 C ATOM 1029 NZ LYS A 66 13.255 12.881 -1.473 1.00 0.00 N ATOM 0 H LYS A 66 9.429 8.056 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 66 10.315 10.713 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.601 8.933 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.671 8.057 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.823 9.043 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.050 9.941 -1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.210 11.461 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.634 10.791 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.602 12.624 0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.800 11.466 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.832 13.158 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.414 12.364 -1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.957 13.732 -0.955 1.00 0.00 H new ATOM 1043 N ALA A 67 10.673 9.330 -3.152 1.00 0.00 N ATOM 1044 CA ALA A 67 10.877 9.633 -4.563 1.00 0.00 C ATOM 1045 C ALA A 67 10.080 10.864 -4.981 1.00 0.00 C ATOM 1046 O ALA A 67 10.534 11.659 -5.806 1.00 0.00 O ATOM 1047 CB ALA A 67 10.492 8.436 -5.420 1.00 0.00 C ATOM 0 H ALA A 67 10.519 8.342 -2.951 1.00 0.00 H new ATOM 0 HA ALA A 67 11.935 9.849 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.649 8.676 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.109 7.580 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.442 8.194 -5.256 1.00 0.00 H new ATOM 1053 N LEU A 68 8.891 11.016 -4.408 1.00 0.00 N ATOM 1054 CA LEU A 68 8.031 12.151 -4.722 1.00 0.00 C ATOM 1055 C LEU A 68 8.419 13.374 -3.898 1.00 0.00 C ATOM 1056 O LEU A 68 7.581 13.974 -3.226 1.00 0.00 O ATOM 1057 CB LEU A 68 6.566 11.792 -4.465 1.00 0.00 C ATOM 1058 CG LEU A 68 6.102 10.439 -5.004 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.753 10.062 -4.411 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.029 10.467 -6.524 1.00 0.00 C ATOM 0 H LEU A 68 8.501 10.368 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 68 8.160 12.392 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.391 11.811 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.940 12.569 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 68 6.830 9.683 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.439 9.096 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.837 10.000 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.015 10.819 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.697 9.496 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.323 11.235 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.015 10.691 -6.932 1.00 0.00 H new ATOM 1072 N GLY A 69 9.696 13.739 -3.955 1.00 0.00 N ATOM 1073 CA GLY A 69 10.173 14.890 -3.211 1.00 0.00 C ATOM 1074 C GLY A 69 9.661 16.200 -3.777 1.00 0.00 C ATOM 1075 O GLY A 69 8.904 16.914 -3.120 1.00 0.00 O ATOM 0 H GLY A 69 10.409 13.258 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.861 14.801 -2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.263 14.896 -3.217 1.00 0.00 H new ATOM 1079 N ASP A 70 10.075 16.517 -4.999 1.00 0.00 N ATOM 1080 CA ASP A 70 9.654 17.750 -5.653 1.00 0.00 C ATOM 1081 C ASP A 70 8.396 17.521 -6.486 1.00 0.00 C ATOM 1082 O ASP A 70 8.089 18.298 -7.390 1.00 0.00 O ATOM 1083 CB ASP A 70 10.776 18.291 -6.540 1.00 0.00 C ATOM 1084 CG ASP A 70 11.555 17.187 -7.227 1.00 0.00 C ATOM 1085 OD1 ASP A 70 12.395 16.549 -6.559 1.00 0.00 O ATOM 1086 OD2 ASP A 70 11.325 16.960 -8.434 1.00 0.00 O ATOM 0 H ASP A 70 10.702 15.937 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 70 9.428 18.484 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.352 18.955 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.457 18.890 -5.935 1.00 0.00 H new ATOM 1091 N SER A 71 7.674 16.449 -6.175 1.00 0.00 N ATOM 1092 CA SER A 71 6.452 16.115 -6.897 1.00 0.00 C ATOM 1093 C SER A 71 5.333 17.093 -6.553 1.00 0.00 C ATOM 1094 O SER A 71 5.536 18.048 -5.804 1.00 0.00 O ATOM 1095 CB SER A 71 6.016 14.686 -6.570 1.00 0.00 C ATOM 1096 OG SER A 71 5.257 14.646 -5.374 1.00 0.00 O ATOM 0 H SER A 71 7.914 15.797 -5.428 1.00 0.00 H new ATOM 0 HA SER A 71 6.658 16.188 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.425 14.285 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.894 14.049 -6.469 1.00 0.00 H new ATOM 0 HG SER A 71 4.313 14.811 -5.580 1.00 0.00 H new ATOM 1102 N SER A 72 4.149 16.846 -7.106 1.00 0.00 N ATOM 1103 CA SER A 72 2.997 17.705 -6.861 1.00 0.00 C ATOM 1104 C SER A 72 1.833 16.903 -6.287 1.00 0.00 C ATOM 1105 O SER A 72 1.765 15.680 -6.416 1.00 0.00 O ATOM 1106 CB SER A 72 2.565 18.396 -8.155 1.00 0.00 C ATOM 1107 OG SER A 72 3.281 19.603 -8.353 1.00 0.00 O ATOM 0 H SER A 72 3.963 16.058 -7.726 1.00 0.00 H new ATOM 0 HA SER A 72 3.288 18.462 -6.133 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.731 17.728 -9.000 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.496 18.605 -8.120 1.00 0.00 H new ATOM 0 HG SER A 72 2.987 20.024 -9.188 1.00 0.00 H new ATOM 1113 N PRO A 73 0.895 17.606 -5.636 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.284 16.982 -5.029 1.00 0.00 C ATOM 1115 C PRO A 73 -1.263 16.455 -6.073 1.00 0.00 C ATOM 1116 O PRO A 73 -1.685 15.300 -6.015 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.918 18.122 -4.229 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.465 19.364 -4.916 1.00 0.00 C ATOM 1119 CD PRO A 73 0.912 19.066 -5.444 1.00 0.00 C ATOM 0 HA PRO A 73 -0.019 16.115 -4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.005 18.046 -4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.593 18.104 -3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.144 19.632 -5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.444 20.207 -4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.107 19.592 -6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.687 19.370 -4.740 1.00 0.00 H new ATOM 1127 N SER A 74 -1.621 17.308 -7.027 1.00 0.00 N ATOM 1128 CA SER A 74 -2.553 16.929 -8.082 1.00 0.00 C ATOM 1129 C SER A 74 -1.987 15.788 -8.922 1.00 0.00 C ATOM 1130 O SER A 74 -2.671 14.799 -9.184 1.00 0.00 O ATOM 1131 CB SER A 74 -2.860 18.132 -8.976 1.00 0.00 C ATOM 1132 OG SER A 74 -4.110 17.978 -9.626 1.00 0.00 O ATOM 0 H SER A 74 -1.279 18.267 -7.091 1.00 0.00 H new ATOM 0 HA SER A 74 -3.476 16.589 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.868 19.042 -8.376 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.071 18.247 -9.720 1.00 0.00 H new ATOM 0 HG SER A 74 -4.832 18.055 -8.968 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.735 15.934 -9.341 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.077 14.916 -10.152 1.00 0.00 C ATOM 1140 C GLN A 75 -0.037 13.579 -9.420 1.00 0.00 C ATOM 1141 O GLN A 75 0.211 12.537 -10.025 1.00 0.00 O ATOM 1142 CB GLN A 75 1.343 15.358 -10.510 1.00 0.00 C ATOM 1143 CG GLN A 75 1.390 16.585 -11.406 1.00 0.00 C ATOM 1144 CD GLN A 75 2.772 16.838 -11.977 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.586 15.921 -12.093 1.00 0.00 O ATOM 1146 NE2 GLN A 75 3.044 18.087 -12.337 1.00 0.00 N ATOM 0 H GLN A 75 -0.155 16.747 -9.133 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.653 14.790 -11.069 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.892 15.568 -9.592 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.856 14.535 -11.007 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.680 16.460 -12.224 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.071 17.458 -10.837 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.339 18.816 -12.223 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.958 18.318 -12.727 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.281 13.618 -8.114 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.274 12.409 -7.300 1.00 0.00 C ATOM 1157 C ALA A 76 -1.671 11.806 -7.200 1.00 0.00 C ATOM 1158 O ALA A 76 -1.826 10.594 -7.051 1.00 0.00 O ATOM 1159 CB ALA A 76 0.273 12.710 -5.912 1.00 0.00 C ATOM 0 H ALA A 76 -0.486 14.473 -7.598 1.00 0.00 H new ATOM 0 HA ALA A 76 0.375 11.679 -7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.272 11.798 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.292 13.088 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.353 13.460 -5.429 1.00 0.00 H new ATOM 1165 N MET A 77 -2.686 12.660 -7.282 1.00 0.00 N ATOM 1166 CA MET A 77 -4.071 12.210 -7.201 1.00 0.00 C ATOM 1167 C MET A 77 -4.512 11.568 -8.513 1.00 0.00 C ATOM 1168 O MET A 77 -5.403 10.719 -8.529 1.00 0.00 O ATOM 1169 CB MET A 77 -4.992 13.384 -6.859 1.00 0.00 C ATOM 1170 CG MET A 77 -4.691 14.020 -5.512 1.00 0.00 C ATOM 1171 SD MET A 77 -5.950 15.209 -5.009 1.00 0.00 S ATOM 1172 CE MET A 77 -4.926 16.566 -4.443 1.00 0.00 C ATOM 0 H MET A 77 -2.576 13.667 -7.404 1.00 0.00 H new ATOM 0 HA MET A 77 -4.138 11.462 -6.411 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.905 14.142 -7.637 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.026 13.038 -6.865 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.611 13.239 -4.756 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.723 14.519 -5.558 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.561 17.382 -4.099 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.294 16.227 -3.622 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.299 16.916 -5.263 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.882 11.980 -9.608 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.211 11.444 -10.924 1.00 0.00 C ATOM 1184 C GLN A 78 -3.910 9.951 -10.995 1.00 0.00 C ATOM 1185 O GLN A 78 -4.719 9.169 -11.492 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.430 12.187 -12.010 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.685 13.685 -12.027 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.490 14.295 -13.401 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.370 14.360 -13.910 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.580 14.747 -14.009 1.00 0.00 N ATOM 0 H GLN A 78 -3.142 12.682 -9.611 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.278 11.588 -11.091 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.364 12.010 -11.865 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.692 11.771 -12.983 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.702 13.880 -11.688 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.014 14.172 -11.319 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.488 14.673 -13.550 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.510 15.169 -14.935 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.740 9.564 -10.496 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.333 8.164 -10.505 1.00 0.00 C ATOM 1201 C GLU A 79 -3.032 7.387 -9.393 1.00 0.00 C ATOM 1202 O GLU A 79 -3.383 6.219 -9.563 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.815 8.050 -10.345 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.033 8.767 -11.433 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.161 8.090 -12.785 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -1.239 8.204 -13.405 1.00 0.00 O ATOM 1207 OE2 GLU A 79 0.816 7.448 -13.222 1.00 0.00 O ATOM 0 H GLU A 79 -2.058 10.199 -10.081 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.624 7.734 -11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.529 8.457 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.536 6.996 -10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.385 9.796 -11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.019 8.811 -11.151 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.229 8.043 -8.255 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.883 7.414 -7.113 1.00 0.00 C ATOM 1216 C TYR A 80 -5.296 6.965 -7.474 1.00 0.00 C ATOM 1217 O TYR A 80 -5.826 6.018 -6.891 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.930 8.381 -5.929 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.614 7.810 -4.708 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -6.000 7.754 -4.625 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.874 7.326 -3.636 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.629 7.233 -3.511 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.494 6.803 -2.518 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.872 6.759 -2.460 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.493 6.239 -1.348 1.00 0.00 O ATOM 0 H TYR A 80 -2.945 9.010 -8.098 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.302 6.535 -6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.912 8.668 -5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.448 9.290 -6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.596 8.124 -5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.795 7.359 -3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.707 7.197 -3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.904 6.431 -1.694 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.187 6.716 -0.549 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.899 7.650 -8.439 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.249 7.322 -8.880 1.00 0.00 C ATOM 1237 C ILE A 81 -7.225 6.298 -10.010 1.00 0.00 C ATOM 1238 O ILE A 81 -7.687 5.169 -9.848 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.007 8.575 -9.355 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.622 9.309 -8.161 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.083 8.194 -10.361 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.758 10.800 -8.373 1.00 0.00 C ATOM 0 H ILE A 81 -5.474 8.436 -8.931 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.767 6.899 -8.019 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.300 9.245 -9.845 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.606 8.888 -7.954 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -8.007 9.130 -7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.610 9.091 -10.687 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.621 7.711 -11.222 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.790 7.507 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.201 11.255 -7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.774 11.234 -8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.398 10.988 -9.235 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.681 6.700 -11.154 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.592 5.816 -12.309 1.00 0.00 C ATOM 1256 C ALA A 82 -6.402 4.366 -11.878 1.00 0.00 C ATOM 1257 O ALA A 82 -7.189 3.491 -12.241 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.454 6.251 -13.221 1.00 0.00 C ATOM 0 H ALA A 82 -6.295 7.632 -11.305 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.530 5.884 -12.860 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.400 5.582 -14.079 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.633 7.269 -13.566 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.513 6.214 -12.672 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.351 4.117 -11.103 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.057 2.772 -10.622 1.00 0.00 C ATOM 1266 C VAL A 83 -6.323 2.072 -10.141 1.00 0.00 C ATOM 1267 O VAL A 83 -6.686 1.008 -10.642 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.030 2.798 -9.475 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.409 3.849 -8.443 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -3.915 1.424 -8.832 1.00 0.00 C ATOM 0 H VAL A 83 -4.689 4.829 -10.795 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.637 2.220 -11.463 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.057 3.063 -9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.672 3.853 -7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.435 4.831 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.392 3.618 -8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.185 1.461 -8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.885 1.127 -8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.593 0.699 -9.579 1.00 0.00 H new ATOM 1280 N VAL A 84 -6.992 2.677 -9.164 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.219 2.113 -8.615 1.00 0.00 C ATOM 1282 C VAL A 84 -9.203 1.753 -9.723 1.00 0.00 C ATOM 1283 O VAL A 84 -10.065 0.891 -9.548 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.899 3.091 -7.638 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.856 3.868 -6.849 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.825 4.036 -8.389 1.00 0.00 C ATOM 0 H VAL A 84 -6.705 3.558 -8.737 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.937 1.209 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.499 2.516 -6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.354 4.554 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.238 3.173 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.228 4.434 -7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.297 4.720 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.249 4.607 -9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.593 3.459 -8.905 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.068 2.418 -10.865 1.00 0.00 N ATOM 1297 CA LYS A 85 -9.943 2.169 -12.004 1.00 0.00 C ATOM 1298 C LYS A 85 -9.572 0.863 -12.700 1.00 0.00 C ATOM 1299 O LYS A 85 -10.443 0.104 -13.124 1.00 0.00 O ATOM 1300 CB LYS A 85 -9.863 3.329 -12.999 1.00 0.00 C ATOM 1301 CG LYS A 85 -9.953 4.697 -12.345 1.00 0.00 C ATOM 1302 CD LYS A 85 -9.927 5.812 -13.378 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.219 5.861 -14.178 1.00 0.00 C ATOM 1304 NZ LYS A 85 -11.151 5.007 -15.396 1.00 0.00 N ATOM 0 H LYS A 85 -8.360 3.134 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.965 2.086 -11.633 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.925 3.260 -13.550 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.669 3.229 -13.726 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.871 4.762 -11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.123 4.824 -11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.771 6.768 -12.879 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.085 5.664 -14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.047 5.533 -13.550 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.428 6.891 -14.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.242 5.603 -16.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.239 4.508 -15.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.925 4.312 -15.377 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.273 0.607 -12.812 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.785 -0.609 -13.453 1.00 0.00 C ATOM 1320 C LYS A 86 -8.192 -1.845 -12.658 1.00 0.00 C ATOM 1321 O LYS A 86 -8.403 -2.918 -13.223 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.262 -0.559 -13.596 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.782 0.415 -14.658 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.422 1.763 -14.056 1.00 0.00 C ATOM 1325 CE LYS A 86 -5.707 2.900 -15.026 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.745 2.915 -16.162 1.00 0.00 N ATOM 0 H LYS A 86 -7.539 1.225 -12.467 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.235 -0.673 -14.444 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.824 -0.282 -12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.895 -1.557 -13.838 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.913 -0.001 -15.168 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.560 0.547 -15.410 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.989 1.916 -13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.367 1.771 -13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.722 2.803 -15.411 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.657 3.851 -14.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.973 3.704 -16.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.778 3.033 -15.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.810 2.018 -16.684 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.302 -1.687 -11.343 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.685 -2.790 -10.469 1.00 0.00 C ATOM 1342 C LEU A 87 -10.196 -3.001 -10.490 1.00 0.00 C ATOM 1343 O LEU A 87 -10.676 -4.130 -10.389 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.216 -2.520 -9.039 1.00 0.00 C ATOM 1345 CG LEU A 87 -6.865 -1.818 -8.897 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.699 -1.258 -7.493 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.729 -2.774 -9.229 1.00 0.00 C ATOM 0 H LEU A 87 -8.131 -0.806 -10.859 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.205 -3.697 -10.837 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.972 -1.915 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.166 -3.471 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.833 -0.988 -9.603 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.732 -0.762 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.493 -0.539 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.753 -2.071 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.775 -2.257 -9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.759 -3.625 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.838 -3.126 -10.255 1.00 0.00 H new ATOM 1359 N ASP A 88 -10.939 -1.908 -10.623 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.395 -1.973 -10.660 1.00 0.00 C ATOM 1361 C ASP A 88 -12.948 -1.125 -11.801 1.00 0.00 C ATOM 1362 O ASP A 88 -13.176 0.077 -11.659 1.00 0.00 O ATOM 1363 CB ASP A 88 -12.982 -1.503 -9.328 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.488 -1.668 -9.268 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.166 -1.279 -10.242 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -14.989 -2.184 -8.247 1.00 0.00 O ATOM 0 H ASP A 88 -10.557 -0.966 -10.707 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.683 -3.010 -10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.525 -2.066 -8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.728 -0.455 -9.172 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.169 -1.763 -12.960 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.697 -1.086 -14.148 1.00 0.00 C ATOM 1373 C PRO A 89 -15.157 -0.678 -13.981 1.00 0.00 C ATOM 1374 O PRO A 89 -15.704 0.055 -14.804 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.559 -2.141 -15.248 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.580 -3.445 -14.527 1.00 0.00 C ATOM 1377 CD PRO A 89 -12.920 -3.194 -13.199 1.00 0.00 C ATOM 0 HA PRO A 89 -13.165 -0.158 -14.359 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.376 -2.073 -15.967 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.632 -2.012 -15.806 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.602 -3.801 -14.394 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.046 -4.211 -15.090 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.351 -3.814 -12.413 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.853 -3.416 -13.232 1.00 0.00 H new ATOM 1385 N GLY A 90 -15.783 -1.157 -12.911 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.174 -0.831 -12.656 1.00 0.00 C ATOM 1387 C GLY A 90 -17.333 0.237 -11.593 1.00 0.00 C ATOM 1388 O GLY A 90 -18.125 0.083 -10.663 1.00 0.00 O ATOM 0 H GLY A 90 -15.351 -1.766 -12.215 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.640 -0.491 -13.581 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.704 -1.731 -12.344 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.579 1.322 -11.728 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.639 2.420 -10.770 1.00 0.00 C ATOM 1394 C TRP A 91 -17.048 3.719 -11.455 1.00 0.00 C ATOM 1395 O TRP A 91 -16.443 4.125 -12.446 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.286 2.596 -10.080 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.213 3.821 -9.219 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.142 4.239 -8.309 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.156 4.786 -9.189 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.726 5.407 -7.715 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.511 5.763 -8.237 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -12.945 4.920 -9.872 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.696 6.856 -7.954 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.138 6.006 -9.590 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.515 6.962 -8.638 1.00 0.00 C ATOM 0 H TRP A 91 -15.919 1.465 -12.492 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.392 2.175 -10.021 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.081 1.718 -9.468 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.504 2.646 -10.837 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -17.067 3.727 -8.089 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.239 5.924 -7.001 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.645 4.188 -10.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.985 7.594 -7.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.200 6.120 -10.113 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.861 7.799 -8.440 1.00 0.00 H new