USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 739 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 84 TYR OH : rot -47:sc= -3.05! USER MOD Set 1.2: A 87 GLN : amide:sc= 0.498 X(o=-2.6,f=-2.8) USER MOD Set 2.1: A 6 CYS SG : rot 180:sc= 0.493 USER MOD Set 2.2: A 26 GLN : amide:sc= 0.527 K(o=1,f=-1.6) USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.21) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.428 F(o=-1.1!,f=-0.43) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc=-0.00843 (180deg=-0.184) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.47 F(o=-2.7!,f=-1.5) USER MOD Single : A 62 SER OG : rot -105:sc= -0.593 USER MOD Single : A 72 ASN : amide:sc= -1.13! X(o=-1.1!,f=-0.99) USER MOD Single : A 85 GLN :FLIP amide:sc= 0.0607 F(o=-4.2!,f=0.061) USER MOD Single : A 89 GLN : amide:sc= 0.251 X(o=0.25,f=-0.16) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -41:sc= 0.392 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.267 -1.358 3.011 1.00 0.43 N ATOM 49 CA LEU A 5 15.205 -0.682 3.743 1.00 0.45 C ATOM 50 C LEU A 5 14.119 -1.676 4.106 1.00 0.37 C ATOM 51 O LEU A 5 13.949 -2.686 3.433 1.00 0.42 O ATOM 52 CB LEU A 5 14.592 0.434 2.893 1.00 0.52 C ATOM 53 CG LEU A 5 15.593 1.346 2.195 1.00 0.60 C ATOM 54 CD1 LEU A 5 14.876 2.258 1.218 1.00 1.28 C ATOM 55 CD2 LEU A 5 16.362 2.150 3.226 1.00 1.27 C ATOM 0 HA LEU A 5 15.633 -0.250 4.648 1.00 0.45 H new ATOM 0 HB2 LEU A 5 13.950 -0.018 2.138 1.00 0.52 H new ATOM 0 HB3 LEU A 5 13.953 1.044 3.531 1.00 0.52 H new ATOM 0 HG LEU A 5 16.303 0.739 1.633 1.00 0.60 H new ATOM 0 HD11 LEU A 5 15.601 2.905 0.725 1.00 1.28 H new ATOM 0 HD12 LEU A 5 14.360 1.656 0.470 1.00 1.28 H new ATOM 0 HD13 LEU A 5 14.151 2.869 1.756 1.00 1.28 H new ATOM 0 HD21 LEU A 5 17.076 2.800 2.721 1.00 1.27 H new ATOM 0 HD22 LEU A 5 15.667 2.756 3.807 1.00 1.27 H new ATOM 0 HD23 LEU A 5 16.896 1.472 3.892 1.00 1.27 H new ATOM 67 N CYS A 6 13.393 -1.406 5.168 1.00 0.34 N ATOM 68 CA CYS A 6 12.283 -2.257 5.546 1.00 0.31 C ATOM 69 C CYS A 6 11.023 -1.421 5.677 1.00 0.24 C ATOM 70 O CYS A 6 11.004 -0.426 6.397 1.00 0.27 O ATOM 71 CB CYS A 6 12.606 -2.975 6.849 1.00 0.40 C ATOM 72 SG CYS A 6 11.323 -4.119 7.419 1.00 1.35 S ATOM 0 H CYS A 6 13.549 -0.608 5.784 1.00 0.34 H new ATOM 0 HA CYS A 6 12.116 -3.010 4.776 1.00 0.31 H new ATOM 0 HB2 CYS A 6 13.537 -3.528 6.723 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.781 -2.230 7.625 1.00 0.40 H new ATOM 0 HG CYS A 6 11.701 -4.675 8.532 1.00 1.35 H new ATOM 78 N VAL A 7 9.974 -1.820 4.971 1.00 0.24 N ATOM 79 CA VAL A 7 8.772 -1.009 4.890 1.00 0.25 C ATOM 80 C VAL A 7 7.561 -1.773 5.427 1.00 0.25 C ATOM 81 O VAL A 7 7.541 -3.007 5.428 1.00 0.31 O ATOM 82 CB VAL A 7 8.515 -0.545 3.434 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.758 0.117 2.858 1.00 0.64 C ATOM 84 CG2 VAL A 7 8.074 -1.703 2.554 1.00 0.61 C ATOM 0 H VAL A 7 9.933 -2.696 4.450 1.00 0.24 H new ATOM 0 HA VAL A 7 8.923 -0.126 5.510 1.00 0.25 H new ATOM 0 HB VAL A 7 7.707 0.186 3.455 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.559 0.436 1.835 1.00 0.64 H new ATOM 0 HG12 VAL A 7 10.023 0.984 3.464 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.584 -0.594 2.862 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.902 -1.344 1.539 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.851 -2.467 2.542 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.152 -2.130 2.949 1.00 0.61 H new ATOM 94 N LYS A 8 6.568 -1.038 5.908 1.00 0.26 N ATOM 95 CA LYS A 8 5.362 -1.645 6.453 1.00 0.28 C ATOM 96 C LYS A 8 4.133 -1.207 5.670 1.00 0.28 C ATOM 97 O LYS A 8 3.970 -0.029 5.361 1.00 0.38 O ATOM 98 CB LYS A 8 5.170 -1.266 7.927 1.00 0.35 C ATOM 99 CG LYS A 8 3.978 -1.964 8.574 1.00 0.61 C ATOM 100 CD LYS A 8 3.667 -1.419 9.961 1.00 0.86 C ATOM 101 CE LYS A 8 3.213 0.032 9.914 1.00 1.08 C ATOM 102 NZ LYS A 8 2.633 0.474 11.212 1.00 1.61 N ATOM 0 H LYS A 8 6.574 -0.018 5.932 1.00 0.26 H new ATOM 0 HA LYS A 8 5.481 -2.725 6.371 1.00 0.28 H new ATOM 0 HB2 LYS A 8 6.075 -1.516 8.481 1.00 0.35 H new ATOM 0 HB3 LYS A 8 5.037 -0.187 8.004 1.00 0.35 H new ATOM 0 HG2 LYS A 8 3.102 -1.847 7.936 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.181 -3.033 8.644 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.890 -2.027 10.424 1.00 0.86 H new ATOM 0 HD3 LYS A 8 4.553 -1.501 10.590 1.00 0.86 H new ATOM 0 HE2 LYS A 8 4.060 0.669 9.659 1.00 1.08 H new ATOM 0 HE3 LYS A 8 2.472 0.155 9.124 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 2.351 1.473 11.144 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.799 -0.106 11.435 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 3.343 0.365 11.964 1.00 1.61 H new ATOM 116 N VAL A 9 3.275 -2.165 5.367 1.00 0.25 N ATOM 117 CA VAL A 9 1.997 -1.896 4.732 1.00 0.26 C ATOM 118 C VAL A 9 0.883 -2.114 5.748 1.00 0.23 C ATOM 119 O VAL A 9 0.889 -3.112 6.459 1.00 0.27 O ATOM 120 CB VAL A 9 1.785 -2.825 3.516 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.373 -2.701 2.971 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.809 -2.523 2.431 1.00 0.77 C ATOM 0 H VAL A 9 3.445 -3.153 5.555 1.00 0.25 H new ATOM 0 HA VAL A 9 1.984 -0.864 4.380 1.00 0.26 H new ATOM 0 HB VAL A 9 1.925 -3.854 3.848 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.253 -3.366 2.116 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.342 -2.975 3.747 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.193 -1.672 2.658 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.646 -3.186 1.582 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.703 -1.487 2.108 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.813 -2.679 2.825 1.00 0.77 H new ATOM 132 N GLU A 10 -0.045 -1.174 5.854 1.00 0.21 N ATOM 133 CA GLU A 10 -1.120 -1.293 6.831 1.00 0.23 C ATOM 134 C GLU A 10 -2.423 -0.705 6.286 1.00 0.25 C ATOM 135 O GLU A 10 -2.412 0.121 5.370 1.00 0.26 O ATOM 136 CB GLU A 10 -0.712 -0.596 8.131 1.00 0.28 C ATOM 137 CG GLU A 10 -1.477 -1.066 9.359 1.00 0.37 C ATOM 138 CD GLU A 10 -0.943 -0.453 10.637 1.00 0.48 C ATOM 139 OE1 GLU A 10 0.240 -0.686 10.964 1.00 0.99 O ATOM 140 OE2 GLU A 10 -1.695 0.272 11.316 1.00 1.08 O ATOM 0 H GLU A 10 -0.077 -0.329 5.283 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.295 -2.350 7.034 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.353 -0.757 8.297 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.858 0.478 8.015 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.531 -0.810 9.248 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.418 -2.152 9.427 1.00 0.37 H new ATOM 147 N PHE A 11 -3.540 -1.147 6.850 1.00 0.30 N ATOM 148 CA PHE A 11 -4.857 -0.664 6.452 1.00 0.34 C ATOM 149 C PHE A 11 -5.543 0.010 7.632 1.00 0.34 C ATOM 150 O PHE A 11 -5.411 -0.438 8.767 1.00 0.74 O ATOM 151 CB PHE A 11 -5.711 -1.819 5.928 1.00 0.74 C ATOM 152 CG PHE A 11 -5.082 -2.537 4.773 1.00 2.12 C ATOM 153 CD1 PHE A 11 -5.023 -1.946 3.522 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.540 -3.800 4.941 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.434 -2.601 2.459 1.00 4.21 C ATOM 156 CE2 PHE A 11 -3.951 -4.460 3.883 1.00 4.09 C ATOM 157 CZ PHE A 11 -3.897 -3.860 2.641 1.00 4.80 C ATOM 0 H PHE A 11 -3.560 -1.846 7.592 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.737 0.066 5.652 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -5.888 -2.528 6.736 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.684 -1.434 5.623 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.443 -0.962 3.376 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.579 -4.273 5.911 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -4.393 -2.130 1.488 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.532 -5.445 4.026 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.435 -4.375 1.812 1.00 4.80 H new ATOM 167 N GLY A 12 -6.268 1.090 7.368 1.00 0.23 N ATOM 168 CA GLY A 12 -6.844 1.861 8.453 1.00 0.39 C ATOM 169 C GLY A 12 -8.272 2.302 8.198 1.00 0.28 C ATOM 170 O GLY A 12 -9.132 2.132 9.057 1.00 0.34 O ATOM 0 H GLY A 12 -6.466 1.443 6.432 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.815 1.265 9.365 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.227 2.742 8.628 1.00 0.39 H new ATOM 174 N GLY A 13 -8.531 2.859 7.014 1.00 0.24 N ATOM 175 CA GLY A 13 -9.850 3.415 6.712 1.00 0.26 C ATOM 176 C GLY A 13 -10.905 2.354 6.452 1.00 0.29 C ATOM 177 O GLY A 13 -11.579 2.393 5.431 1.00 0.45 O ATOM 0 H GLY A 13 -7.853 2.937 6.256 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.172 4.041 7.544 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.772 4.062 5.838 1.00 0.26 H new ATOM 181 N GLY A 14 -11.047 1.401 7.364 1.00 0.28 N ATOM 182 CA GLY A 14 -11.983 0.308 7.161 1.00 0.35 C ATOM 183 C GLY A 14 -11.560 -0.594 6.018 1.00 0.36 C ATOM 184 O GLY A 14 -12.274 -1.525 5.651 1.00 0.41 O ATOM 0 H GLY A 14 -10.531 1.364 8.243 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -12.060 -0.278 8.077 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.974 0.712 6.957 1.00 0.35 H new ATOM 188 N ALA A 15 -10.379 -0.320 5.470 1.00 0.35 N ATOM 189 CA ALA A 15 -9.854 -1.056 4.330 1.00 0.39 C ATOM 190 C ALA A 15 -9.657 -2.519 4.688 1.00 0.39 C ATOM 191 O ALA A 15 -9.883 -3.403 3.873 1.00 0.42 O ATOM 192 CB ALA A 15 -8.544 -0.430 3.869 1.00 0.44 C ATOM 0 H ALA A 15 -9.761 0.419 5.806 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.572 -1.003 3.512 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.156 -0.986 3.015 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.718 0.606 3.579 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.819 -0.462 4.683 1.00 0.44 H new ATOM 198 N GLU A 16 -9.281 -2.753 5.934 1.00 0.38 N ATOM 199 CA GLU A 16 -9.032 -4.094 6.452 1.00 0.38 C ATOM 200 C GLU A 16 -10.247 -5.000 6.303 1.00 0.36 C ATOM 201 O GLU A 16 -10.100 -6.210 6.205 1.00 0.37 O ATOM 202 CB GLU A 16 -8.625 -4.006 7.919 1.00 0.45 C ATOM 203 CG GLU A 16 -9.611 -3.193 8.742 1.00 0.57 C ATOM 204 CD GLU A 16 -9.244 -3.098 10.203 1.00 1.19 C ATOM 205 OE1 GLU A 16 -9.133 -4.150 10.862 1.00 1.54 O ATOM 206 OE2 GLU A 16 -9.097 -1.965 10.702 1.00 1.60 O ATOM 0 H GLU A 16 -9.138 -2.014 6.622 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.225 -4.533 5.866 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.550 -5.011 8.334 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.635 -3.556 7.993 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.676 -2.188 8.326 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.601 -3.640 8.653 1.00 0.57 H new ATOM 213 N LEU A 17 -11.443 -4.421 6.298 1.00 0.35 N ATOM 214 CA LEU A 17 -12.666 -5.202 6.141 1.00 0.37 C ATOM 215 C LEU A 17 -12.689 -5.914 4.789 1.00 0.36 C ATOM 216 O LEU A 17 -13.417 -6.885 4.598 1.00 0.41 O ATOM 217 CB LEU A 17 -13.897 -4.304 6.284 1.00 0.39 C ATOM 218 CG LEU A 17 -14.058 -3.640 7.653 1.00 0.41 C ATOM 219 CD1 LEU A 17 -15.295 -2.758 7.674 1.00 0.88 C ATOM 220 CD2 LEU A 17 -14.130 -4.691 8.752 1.00 0.83 C ATOM 0 H LEU A 17 -11.592 -3.417 6.400 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.687 -5.956 6.927 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.850 -3.525 5.523 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.787 -4.898 6.078 1.00 0.39 H new ATOM 0 HG LEU A 17 -13.186 -3.013 7.836 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -15.394 -2.294 8.655 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -15.202 -1.983 6.913 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -16.177 -3.364 7.469 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -14.244 -4.200 9.718 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.983 -5.345 8.574 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -13.214 -5.281 8.751 1.00 0.83 H new ATOM 232 N LEU A 18 -11.861 -5.438 3.866 1.00 0.35 N ATOM 233 CA LEU A 18 -11.726 -6.041 2.553 1.00 0.39 C ATOM 234 C LEU A 18 -10.790 -7.239 2.635 1.00 0.42 C ATOM 235 O LEU A 18 -10.734 -8.073 1.729 1.00 0.49 O ATOM 236 CB LEU A 18 -11.154 -5.009 1.580 1.00 0.38 C ATOM 237 CG LEU A 18 -11.977 -3.728 1.420 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.134 -2.630 0.793 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.208 -3.987 0.569 1.00 0.49 C ATOM 0 H LEU A 18 -11.266 -4.622 4.011 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.703 -6.372 2.201 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.152 -4.737 1.913 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.049 -5.477 0.601 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.298 -3.403 2.410 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.734 -1.726 0.686 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.275 -2.422 1.431 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.787 -2.953 -0.189 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.780 -3.065 0.467 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.902 -4.335 -0.417 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.827 -4.747 1.046 1.00 0.49 H new ATOM 251 N PHE A 19 -10.049 -7.309 3.735 1.00 0.39 N ATOM 252 CA PHE A 19 -9.038 -8.333 3.922 1.00 0.47 C ATOM 253 C PHE A 19 -9.314 -9.139 5.192 1.00 0.60 C ATOM 254 O PHE A 19 -8.461 -9.897 5.656 1.00 0.97 O ATOM 255 CB PHE A 19 -7.669 -7.664 4.014 1.00 0.45 C ATOM 256 CG PHE A 19 -7.450 -6.617 2.958 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.013 -6.970 1.699 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.684 -5.280 3.228 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.815 -6.014 0.728 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.488 -4.318 2.259 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.052 -4.685 1.008 1.00 0.59 C ATOM 0 H PHE A 19 -10.134 -6.659 4.517 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.060 -9.019 3.075 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.560 -7.207 4.998 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.893 -8.425 3.929 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -6.824 -8.009 1.472 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -8.024 -4.986 4.210 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.474 -6.306 -0.254 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.677 -3.278 2.483 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.896 -3.935 0.247 1.00 0.59 H new ATOM 271 N ASP A 20 -10.518 -8.963 5.735 1.00 0.55 N ATOM 272 CA ASP A 20 -10.974 -9.666 6.944 1.00 0.69 C ATOM 273 C ASP A 20 -10.248 -9.185 8.208 1.00 0.72 C ATOM 274 O ASP A 20 -9.875 -9.978 9.070 1.00 1.07 O ATOM 275 CB ASP A 20 -10.820 -11.181 6.782 1.00 0.80 C ATOM 276 CG ASP A 20 -11.534 -11.967 7.867 1.00 1.16 C ATOM 277 OD1 ASP A 20 -12.722 -11.687 8.125 1.00 1.55 O ATOM 278 OD2 ASP A 20 -10.906 -12.869 8.466 1.00 1.28 O ATOM 0 H ASP A 20 -11.213 -8.325 5.349 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.031 -9.429 7.069 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -11.210 -11.479 5.809 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.760 -11.437 6.793 1.00 0.80 H new ATOM 283 N GLY A 21 -10.040 -7.881 8.307 1.00 0.57 N ATOM 284 CA GLY A 21 -9.599 -7.285 9.558 1.00 0.59 C ATOM 285 C GLY A 21 -8.094 -7.270 9.732 1.00 0.59 C ATOM 286 O GLY A 21 -7.586 -6.842 10.770 1.00 0.79 O ATOM 0 H GLY A 21 -10.168 -7.219 7.542 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.972 -6.262 9.614 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -10.046 -7.833 10.388 1.00 0.59 H new ATOM 290 N VAL A 22 -7.372 -7.741 8.733 1.00 0.51 N ATOM 291 CA VAL A 22 -5.923 -7.689 8.780 1.00 0.53 C ATOM 292 C VAL A 22 -5.443 -6.343 8.244 1.00 0.45 C ATOM 293 O VAL A 22 -5.833 -5.920 7.154 1.00 0.47 O ATOM 294 CB VAL A 22 -5.277 -8.862 8.002 1.00 0.68 C ATOM 295 CG1 VAL A 22 -5.683 -8.851 6.539 1.00 1.02 C ATOM 296 CG2 VAL A 22 -3.760 -8.838 8.141 1.00 1.41 C ATOM 0 H VAL A 22 -7.760 -8.160 7.888 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.610 -7.793 9.819 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.646 -9.789 8.441 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -5.211 -9.688 6.024 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -6.766 -8.942 6.461 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -5.363 -7.916 6.080 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -3.331 -9.672 7.586 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -3.373 -7.900 7.744 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -3.490 -8.925 9.193 1.00 1.41 H new ATOM 306 N LYS A 23 -4.634 -5.650 9.029 1.00 0.48 N ATOM 307 CA LYS A 23 -4.180 -4.322 8.651 1.00 0.52 C ATOM 308 C LYS A 23 -2.706 -4.355 8.276 1.00 0.40 C ATOM 309 O LYS A 23 -2.325 -4.031 7.156 1.00 0.37 O ATOM 310 CB LYS A 23 -4.365 -3.321 9.796 1.00 0.75 C ATOM 311 CG LYS A 23 -5.652 -3.485 10.585 1.00 0.85 C ATOM 312 CD LYS A 23 -6.004 -2.217 11.354 1.00 1.06 C ATOM 313 CE LYS A 23 -4.799 -1.606 12.064 1.00 1.11 C ATOM 314 NZ LYS A 23 -4.255 -2.490 13.128 1.00 2.07 N ATOM 0 H LYS A 23 -4.280 -5.982 9.926 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.781 -4.006 7.798 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -3.522 -3.414 10.480 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.333 -2.312 9.386 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.466 -3.737 9.906 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -5.549 -4.317 11.282 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.425 -1.484 10.665 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -6.776 -2.445 12.088 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.017 -1.400 11.333 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -5.086 -0.650 12.502 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -3.439 -2.029 13.579 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -4.990 -2.667 13.842 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -3.955 -3.393 12.709 1.00 2.07 H new ATOM 328 N LYS A 24 -1.889 -4.751 9.238 1.00 0.38 N ATOM 329 CA LYS A 24 -0.446 -4.706 9.097 1.00 0.33 C ATOM 330 C LYS A 24 0.085 -5.896 8.313 1.00 0.34 C ATOM 331 O LYS A 24 -0.182 -7.055 8.640 1.00 0.47 O ATOM 332 CB LYS A 24 0.212 -4.657 10.477 1.00 0.43 C ATOM 333 CG LYS A 24 1.731 -4.599 10.436 1.00 0.49 C ATOM 334 CD LYS A 24 2.331 -4.646 11.833 1.00 0.66 C ATOM 335 CE LYS A 24 3.851 -4.597 11.791 1.00 1.04 C ATOM 336 NZ LYS A 24 4.443 -4.656 13.152 1.00 1.59 N ATOM 0 H LYS A 24 -2.208 -5.112 10.137 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.197 -3.804 8.538 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.160 -3.785 11.015 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.093 -5.536 11.045 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.112 -5.434 9.848 1.00 0.49 H new ATOM 0 HG3 LYS A 24 2.047 -3.685 9.934 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.955 -3.808 12.419 1.00 0.66 H new ATOM 0 HD3 LYS A 24 2.009 -5.557 12.337 1.00 0.66 H new ATOM 0 HE2 LYS A 24 4.225 -5.430 11.196 1.00 1.04 H new ATOM 0 HE3 LYS A 24 4.171 -3.681 11.295 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.480 -4.620 13.081 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 4.106 -3.847 13.713 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 4.158 -5.542 13.616 1.00 1.59 H new ATOM 350 N HIS A 25 0.835 -5.586 7.276 1.00 0.29 N ATOM 351 CA HIS A 25 1.544 -6.581 6.499 1.00 0.34 C ATOM 352 C HIS A 25 2.923 -6.027 6.161 1.00 0.34 C ATOM 353 O HIS A 25 3.043 -5.036 5.442 1.00 0.43 O ATOM 354 CB HIS A 25 0.765 -6.904 5.227 1.00 0.42 C ATOM 355 CG HIS A 25 0.784 -8.358 4.869 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.782 -8.946 4.122 1.00 1.46 N ATOM 357 CD2 HIS A 25 -0.091 -9.349 5.167 1.00 1.39 C ATOM 358 CE1 HIS A 25 1.519 -10.231 3.973 1.00 1.58 C ATOM 359 NE2 HIS A 25 0.390 -10.501 4.596 1.00 1.44 N ATOM 0 H HIS A 25 0.971 -4.630 6.946 1.00 0.29 H new ATOM 0 HA HIS A 25 1.649 -7.504 7.069 1.00 0.34 H new ATOM 0 HB2 HIS A 25 -0.269 -6.582 5.352 1.00 0.42 H new ATOM 0 HB3 HIS A 25 1.181 -6.329 4.400 1.00 0.42 H new ATOM 0 HD2 HIS A 25 -0.998 -9.251 5.746 1.00 1.39 H new ATOM 0 HE1 HIS A 25 2.127 -10.941 3.432 1.00 1.58 H new ATOM 0 HE2 HIS A 25 -0.055 -11.418 4.646 1.00 1.44 H new ATOM 368 N GLN A 26 3.959 -6.653 6.686 1.00 0.36 N ATOM 369 CA GLN A 26 5.298 -6.090 6.603 1.00 0.38 C ATOM 370 C GLN A 26 6.122 -6.795 5.533 1.00 0.33 C ATOM 371 O GLN A 26 6.002 -8.006 5.338 1.00 0.47 O ATOM 372 CB GLN A 26 5.983 -6.186 7.966 1.00 0.54 C ATOM 373 CG GLN A 26 7.146 -5.225 8.141 1.00 0.67 C ATOM 374 CD GLN A 26 7.656 -5.193 9.567 1.00 1.12 C ATOM 375 OE1 GLN A 26 6.906 -5.431 10.515 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.931 -4.878 9.733 1.00 1.59 N ATOM 0 H GLN A 26 3.903 -7.548 7.173 1.00 0.36 H new ATOM 0 HA GLN A 26 5.219 -5.040 6.320 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.246 -5.995 8.746 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.342 -7.205 8.110 1.00 0.54 H new ATOM 0 HG2 GLN A 26 7.958 -5.515 7.474 1.00 0.67 H new ATOM 0 HG3 GLN A 26 6.834 -4.223 7.847 1.00 0.67 H new ATOM 0 HE21 GLN A 26 9.519 -4.688 8.922 1.00 1.59 H new ATOM 0 HE22 GLN A 26 9.325 -4.825 10.672 1.00 1.59 H new ATOM 385 N VAL A 27 6.943 -6.032 4.825 1.00 0.29 N ATOM 386 CA VAL A 27 7.781 -6.585 3.773 1.00 0.29 C ATOM 387 C VAL A 27 9.184 -5.978 3.831 1.00 0.28 C ATOM 388 O VAL A 27 9.351 -4.795 4.139 1.00 0.31 O ATOM 389 CB VAL A 27 7.148 -6.363 2.376 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.897 -4.887 2.112 1.00 0.44 C ATOM 391 CG2 VAL A 27 8.011 -6.971 1.279 1.00 0.44 C ATOM 0 H VAL A 27 7.046 -5.026 4.961 1.00 0.29 H new ATOM 0 HA VAL A 27 7.860 -7.660 3.937 1.00 0.29 H new ATOM 0 HB VAL A 27 6.184 -6.872 2.367 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.453 -4.764 1.124 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.217 -4.493 2.867 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.841 -4.344 2.155 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.542 -6.800 0.310 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.997 -6.506 1.292 1.00 0.44 H new ATOM 0 HG23 VAL A 27 8.113 -8.043 1.448 1.00 0.44 H new ATOM 401 N ALA A 28 10.194 -6.795 3.576 1.00 0.31 N ATOM 402 CA ALA A 28 11.571 -6.335 3.618 1.00 0.33 C ATOM 403 C ALA A 28 12.143 -6.217 2.210 1.00 0.28 C ATOM 404 O ALA A 28 11.952 -7.105 1.378 1.00 0.29 O ATOM 405 CB ALA A 28 12.410 -7.268 4.475 1.00 0.41 C ATOM 0 H ALA A 28 10.085 -7.781 3.338 1.00 0.31 H new ATOM 0 HA ALA A 28 11.595 -5.343 4.070 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.440 -6.913 4.499 1.00 0.41 H new ATOM 0 HB2 ALA A 28 12.010 -7.289 5.489 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.382 -8.273 4.053 1.00 0.41 H new ATOM 411 N LEU A 29 12.835 -5.115 1.957 1.00 0.28 N ATOM 412 CA LEU A 29 13.365 -4.805 0.632 1.00 0.28 C ATOM 413 C LEU A 29 14.594 -5.662 0.325 1.00 0.32 C ATOM 414 O LEU A 29 15.336 -6.038 1.237 1.00 0.36 O ATOM 415 CB LEU A 29 13.705 -3.305 0.542 1.00 0.35 C ATOM 416 CG LEU A 29 12.526 -2.353 0.258 1.00 0.38 C ATOM 417 CD1 LEU A 29 12.126 -2.435 -1.202 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.331 -2.662 1.149 1.00 1.04 C ATOM 0 H LEU A 29 13.046 -4.409 2.663 1.00 0.28 H new ATOM 0 HA LEU A 29 12.604 -5.036 -0.114 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.170 -3.003 1.480 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.450 -3.170 -0.242 1.00 0.35 H new ATOM 0 HG LEU A 29 12.856 -1.339 0.482 1.00 0.38 H new ATOM 0 HD11 LEU A 29 11.293 -1.758 -1.389 1.00 1.13 H new ATOM 0 HD12 LEU A 29 12.972 -2.151 -1.828 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.825 -3.455 -1.440 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.519 -1.971 0.921 1.00 1.04 H new ATOM 0 HD22 LEU A 29 10.999 -3.685 0.970 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.619 -2.552 2.195 1.00 1.04 H new ATOM 430 N PRO A 30 14.804 -5.998 -0.961 1.00 0.38 N ATOM 431 CA PRO A 30 15.891 -6.885 -1.402 1.00 0.53 C ATOM 432 C PRO A 30 17.283 -6.265 -1.268 1.00 0.76 C ATOM 433 O PRO A 30 18.158 -6.829 -0.606 1.00 1.64 O ATOM 434 CB PRO A 30 15.577 -7.147 -2.883 1.00 0.52 C ATOM 435 CG PRO A 30 14.182 -6.667 -3.084 1.00 0.51 C ATOM 436 CD PRO A 30 13.989 -5.557 -2.096 1.00 0.41 C ATOM 0 HA PRO A 30 15.927 -7.783 -0.785 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.273 -6.615 -3.532 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.666 -8.207 -3.122 1.00 0.52 H new ATOM 0 HG2 PRO A 30 14.033 -6.313 -4.104 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.464 -7.470 -2.916 1.00 0.51 H new ATOM 0 HD2 PRO A 30 14.327 -4.599 -2.491 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.941 -5.436 -1.821 1.00 0.41 H new ATOM 483 N GLU A 34 14.816 -3.288 -5.609 1.00 0.54 N ATOM 484 CA GLU A 34 13.606 -2.732 -4.986 1.00 0.56 C ATOM 485 C GLU A 34 12.373 -2.786 -5.890 1.00 0.48 C ATOM 486 O GLU A 34 11.949 -1.775 -6.451 1.00 0.58 O ATOM 487 CB GLU A 34 13.851 -1.304 -4.479 1.00 0.72 C ATOM 488 CG GLU A 34 15.226 -1.118 -3.844 1.00 0.96 C ATOM 489 CD GLU A 34 15.534 -2.159 -2.778 1.00 1.55 C ATOM 490 OE1 GLU A 34 15.857 -3.315 -3.146 1.00 2.31 O ATOM 491 OE2 GLU A 34 15.464 -1.829 -1.582 1.00 1.97 O ATOM 0 HA GLU A 34 13.386 -3.375 -4.134 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.745 -0.607 -5.310 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.083 -1.048 -3.749 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.989 -1.165 -4.621 1.00 0.96 H new ATOM 0 HG3 GLU A 34 15.284 -0.124 -3.401 1.00 0.96 H new ATOM 498 N PRO A 35 11.792 -3.984 -6.049 1.00 0.41 N ATOM 499 CA PRO A 35 10.554 -4.174 -6.782 1.00 0.40 C ATOM 500 C PRO A 35 9.361 -4.100 -5.844 1.00 0.35 C ATOM 501 O PRO A 35 8.236 -4.426 -6.209 1.00 0.39 O ATOM 502 CB PRO A 35 10.716 -5.584 -7.338 1.00 0.48 C ATOM 503 CG PRO A 35 11.545 -6.307 -6.323 1.00 0.50 C ATOM 504 CD PRO A 35 12.301 -5.263 -5.532 1.00 0.46 C ATOM 0 HA PRO A 35 10.378 -3.420 -7.549 1.00 0.40 H new ATOM 0 HB2 PRO A 35 9.749 -6.068 -7.475 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.206 -5.571 -8.311 1.00 0.48 H new ATOM 0 HG2 PRO A 35 10.913 -6.904 -5.665 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.236 -6.994 -6.811 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.117 -5.362 -4.462 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.377 -5.353 -5.680 1.00 0.46 H new ATOM 512 N TRP A 36 9.633 -3.669 -4.621 1.00 0.30 N ATOM 513 CA TRP A 36 8.618 -3.586 -3.590 1.00 0.27 C ATOM 514 C TRP A 36 7.973 -2.212 -3.582 1.00 0.24 C ATOM 515 O TRP A 36 7.543 -1.735 -2.530 1.00 0.25 O ATOM 516 CB TRP A 36 9.226 -3.895 -2.210 1.00 0.28 C ATOM 517 CG TRP A 36 9.697 -5.315 -2.051 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.692 -5.748 -1.225 1.00 0.32 C ATOM 519 CD2 TRP A 36 9.197 -6.487 -2.721 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.850 -7.105 -1.343 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.946 -7.584 -2.250 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.196 -6.718 -3.674 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.723 -8.885 -2.693 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.978 -8.010 -4.113 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.738 -9.079 -3.623 1.00 0.42 C ATOM 0 H TRP A 36 10.560 -3.369 -4.320 1.00 0.30 H new ATOM 0 HA TRP A 36 7.850 -4.328 -3.808 1.00 0.27 H new ATOM 0 HB2 TRP A 36 10.066 -3.223 -2.036 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.483 -3.682 -1.441 1.00 0.28 H new ATOM 0 HD1 TRP A 36 11.272 -5.113 -0.572 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.533 -7.667 -0.835 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.605 -5.900 -4.059 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 10.307 -9.712 -2.316 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.208 -8.198 -4.847 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.543 -10.077 -3.986 1.00 0.42 H new ATOM 536 N ASP A 37 7.888 -1.580 -4.755 1.00 0.24 N ATOM 537 CA ASP A 37 7.252 -0.284 -4.877 1.00 0.21 C ATOM 538 C ASP A 37 5.816 -0.358 -4.405 1.00 0.21 C ATOM 539 O ASP A 37 5.222 -1.437 -4.338 1.00 0.24 O ATOM 540 CB ASP A 37 7.262 0.215 -6.320 1.00 0.25 C ATOM 541 CG ASP A 37 7.042 -0.883 -7.335 1.00 0.82 C ATOM 542 OD1 ASP A 37 8.031 -1.504 -7.778 1.00 1.21 O ATOM 543 OD2 ASP A 37 5.877 -1.126 -7.703 1.00 1.59 O ATOM 0 H ASP A 37 8.255 -1.953 -5.630 1.00 0.24 H new ATOM 0 HA ASP A 37 7.819 0.411 -4.258 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.487 0.972 -6.440 1.00 0.25 H new ATOM 0 HB3 ASP A 37 8.216 0.701 -6.522 1.00 0.25 H new ATOM 548 N ILE A 38 5.256 0.798 -4.111 1.00 0.20 N ATOM 549 CA ILE A 38 3.879 0.879 -3.628 1.00 0.20 C ATOM 550 C ILE A 38 2.921 0.212 -4.619 1.00 0.20 C ATOM 551 O ILE A 38 1.923 -0.393 -4.227 1.00 0.23 O ATOM 552 CB ILE A 38 3.451 2.349 -3.396 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.542 3.101 -2.627 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.126 2.413 -2.649 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.884 2.512 -1.272 1.00 0.24 C ATOM 0 H ILE A 38 5.728 1.698 -4.196 1.00 0.20 H new ATOM 0 HA ILE A 38 3.833 0.352 -2.675 1.00 0.20 H new ATOM 0 HB ILE A 38 3.315 2.828 -4.366 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.446 3.125 -3.236 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.223 4.134 -2.489 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.844 3.455 -2.497 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.355 1.910 -3.232 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.229 1.920 -1.682 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.665 3.110 -0.802 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.996 2.514 -0.640 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.237 1.489 -1.399 1.00 0.24 H new ATOM 567 N ARG A 39 3.261 0.300 -5.902 1.00 0.19 N ATOM 568 CA ARG A 39 2.469 -0.304 -6.965 1.00 0.20 C ATOM 569 C ARG A 39 2.410 -1.826 -6.810 1.00 0.19 C ATOM 570 O ARG A 39 1.329 -2.414 -6.806 1.00 0.25 O ATOM 571 CB ARG A 39 3.075 0.076 -8.331 1.00 0.31 C ATOM 572 CG ARG A 39 2.420 -0.581 -9.544 1.00 0.99 C ATOM 573 CD ARG A 39 2.873 -2.026 -9.736 1.00 1.11 C ATOM 574 NE ARG A 39 2.270 -2.638 -10.918 1.00 1.63 N ATOM 575 CZ ARG A 39 2.724 -3.740 -11.509 1.00 2.06 C ATOM 576 NH1 ARG A 39 3.818 -4.347 -11.059 1.00 2.03 N ATOM 577 NH2 ARG A 39 2.078 -4.233 -12.556 1.00 2.62 N ATOM 0 H ARG A 39 4.092 0.791 -6.232 1.00 0.19 H new ATOM 0 HA ARG A 39 1.449 0.074 -6.903 1.00 0.20 H new ATOM 0 HB2 ARG A 39 3.014 1.158 -8.448 1.00 0.31 H new ATOM 0 HB3 ARG A 39 4.133 -0.185 -8.325 1.00 0.31 H new ATOM 0 HG2 ARG A 39 1.337 -0.555 -9.428 1.00 0.99 H new ATOM 0 HG3 ARG A 39 2.659 -0.006 -10.439 1.00 0.99 H new ATOM 0 HD2 ARG A 39 3.959 -2.056 -9.827 1.00 1.11 H new ATOM 0 HD3 ARG A 39 2.610 -2.608 -8.853 1.00 1.11 H new ATOM 0 HE ARG A 39 1.445 -2.190 -11.317 1.00 1.63 H new ATOM 0 HH11 ARG A 39 4.317 -3.968 -10.254 1.00 2.03 H new ATOM 0 HH12 ARG A 39 4.158 -5.191 -11.519 1.00 2.03 H new ATOM 0 HH21 ARG A 39 1.239 -3.768 -12.903 1.00 2.62 H new ATOM 0 HH22 ARG A 39 2.420 -5.078 -13.015 1.00 2.62 H new ATOM 591 N ASN A 40 3.572 -2.463 -6.692 1.00 0.17 N ATOM 592 CA ASN A 40 3.638 -3.923 -6.630 1.00 0.18 C ATOM 593 C ASN A 40 2.987 -4.454 -5.371 1.00 0.18 C ATOM 594 O ASN A 40 2.381 -5.524 -5.379 1.00 0.22 O ATOM 595 CB ASN A 40 5.077 -4.424 -6.715 1.00 0.22 C ATOM 596 CG ASN A 40 5.541 -4.620 -8.144 1.00 0.40 C ATOM 597 OD1 ASN A 40 6.121 -3.589 -8.726 1.00 0.69 O flip ATOM 598 ND2 ASN A 40 5.361 -5.691 -8.725 1.00 0.59 N flip ATOM 0 H ASN A 40 4.477 -1.996 -6.638 1.00 0.17 H new ATOM 0 HA ASN A 40 3.088 -4.298 -7.493 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.736 -3.712 -6.217 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.162 -5.368 -6.176 1.00 0.22 H new ATOM 0 HD21 ASN A 40 4.908 -6.465 -8.239 1.00 0.59 H new ATOM 0 HD22 ASN A 40 5.665 -5.804 -9.692 1.00 0.59 H new ATOM 605 N LEU A 41 3.107 -3.705 -4.294 1.00 0.18 N ATOM 606 CA LEU A 41 2.512 -4.102 -3.032 1.00 0.19 C ATOM 607 C LEU A 41 1.004 -3.990 -3.106 1.00 0.19 C ATOM 608 O LEU A 41 0.286 -4.795 -2.527 1.00 0.21 O ATOM 609 CB LEU A 41 3.074 -3.265 -1.887 1.00 0.21 C ATOM 610 CG LEU A 41 4.404 -3.770 -1.327 1.00 0.26 C ATOM 611 CD1 LEU A 41 4.186 -5.065 -0.562 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.408 -3.995 -2.446 1.00 0.29 C ATOM 0 H LEU A 41 3.611 -2.818 -4.266 1.00 0.18 H new ATOM 0 HA LEU A 41 2.765 -5.144 -2.836 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.206 -2.240 -2.233 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.342 -3.237 -1.080 1.00 0.21 H new ATOM 0 HG LEU A 41 4.802 -3.014 -0.651 1.00 0.26 H new ATOM 0 HD11 LEU A 41 5.138 -5.418 -0.166 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.494 -4.889 0.261 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.770 -5.818 -1.232 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.347 -4.354 -2.025 1.00 0.29 H new ATOM 0 HD22 LEU A 41 5.016 -4.736 -3.143 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.582 -3.057 -2.973 1.00 0.29 H new ATOM 624 N LEU A 42 0.536 -3.003 -3.847 1.00 0.19 N ATOM 625 CA LEU A 42 -0.878 -2.870 -4.149 1.00 0.23 C ATOM 626 C LEU A 42 -1.370 -4.121 -4.865 1.00 0.21 C ATOM 627 O LEU A 42 -2.449 -4.638 -4.578 1.00 0.26 O ATOM 628 CB LEU A 42 -1.080 -1.616 -5.007 1.00 0.30 C ATOM 629 CG LEU A 42 -2.470 -1.401 -5.604 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.690 0.075 -5.838 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.620 -2.147 -6.922 1.00 0.82 C ATOM 0 H LEU A 42 1.121 -2.274 -4.255 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.457 -2.764 -3.232 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.834 -0.746 -4.398 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.361 -1.646 -5.825 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.210 -1.786 -4.903 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.681 0.232 -6.264 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.613 0.609 -4.891 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -1.935 0.451 -6.528 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.618 -1.977 -7.325 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.876 -1.785 -7.632 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.473 -3.214 -6.755 1.00 0.82 H new ATOM 643 N VAL A 43 -0.556 -4.610 -5.789 1.00 0.20 N ATOM 644 CA VAL A 43 -0.865 -5.827 -6.522 1.00 0.22 C ATOM 645 C VAL A 43 -0.859 -7.009 -5.578 1.00 0.22 C ATOM 646 O VAL A 43 -1.782 -7.817 -5.585 1.00 0.24 O ATOM 647 CB VAL A 43 0.150 -6.079 -7.651 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.203 -7.338 -8.426 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.234 -4.875 -8.572 1.00 0.32 C ATOM 0 H VAL A 43 0.330 -4.178 -6.050 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.853 -5.705 -6.967 1.00 0.22 H new ATOM 0 HB VAL A 43 1.132 -6.230 -7.202 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.529 -7.495 -9.218 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.197 -8.194 -7.752 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.195 -7.229 -8.865 1.00 0.31 H new ATOM 0 HG21 VAL A 43 0.957 -5.072 -9.364 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.745 -4.685 -9.013 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.550 -4.002 -8.001 1.00 0.32 H new ATOM 659 N TRP A 44 0.183 -7.088 -4.762 1.00 0.23 N ATOM 660 CA TRP A 44 0.298 -8.134 -3.761 1.00 0.27 C ATOM 661 C TRP A 44 -0.940 -8.143 -2.869 1.00 0.28 C ATOM 662 O TRP A 44 -1.517 -9.194 -2.594 1.00 0.33 O ATOM 663 CB TRP A 44 1.560 -7.911 -2.917 1.00 0.31 C ATOM 664 CG TRP A 44 1.792 -8.977 -1.892 1.00 0.41 C ATOM 665 CD1 TRP A 44 1.379 -8.969 -0.590 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.495 -10.209 -2.082 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.784 -10.121 0.039 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.469 -10.899 -0.855 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.144 -10.792 -3.171 1.00 0.65 C ATOM 670 CZ2 TRP A 44 3.067 -12.144 -0.691 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.736 -12.030 -3.007 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.694 -12.695 -1.776 1.00 0.85 C ATOM 0 H TRP A 44 0.965 -6.434 -4.776 1.00 0.23 H new ATOM 0 HA TRP A 44 0.374 -9.099 -4.261 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.425 -7.860 -3.578 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.486 -6.946 -2.415 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.817 -8.174 -0.124 1.00 0.45 H new ATOM 0 HE1 TRP A 44 1.604 -10.358 1.014 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.183 -10.285 -4.124 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 3.038 -12.658 0.259 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 4.240 -12.492 -3.843 1.00 0.81 H new ATOM 0 HH2 TRP A 44 4.166 -13.662 -1.680 1.00 0.85 H new ATOM 683 N ILE A 45 -1.352 -6.955 -2.451 1.00 0.26 N ATOM 684 CA ILE A 45 -2.539 -6.793 -1.630 1.00 0.29 C ATOM 685 C ILE A 45 -3.776 -7.277 -2.378 1.00 0.31 C ATOM 686 O ILE A 45 -4.552 -8.083 -1.874 1.00 0.37 O ATOM 687 CB ILE A 45 -2.715 -5.310 -1.234 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.650 -4.899 -0.216 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.104 -5.048 -0.686 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.625 -3.410 0.059 1.00 0.47 C ATOM 0 H ILE A 45 -0.874 -6.081 -2.671 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.417 -7.392 -0.728 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.591 -4.706 -2.133 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.827 -5.431 0.719 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.671 -5.210 -0.580 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.196 -3.996 -0.416 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.847 -5.295 -1.444 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.269 -5.665 0.198 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.847 -3.188 0.789 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.418 -2.873 -0.866 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.592 -3.096 0.452 1.00 0.47 H new ATOM 702 N LYS A 46 -3.931 -6.795 -3.595 1.00 0.29 N ATOM 703 CA LYS A 46 -5.086 -7.116 -4.419 1.00 0.35 C ATOM 704 C LYS A 46 -5.192 -8.617 -4.707 1.00 0.39 C ATOM 705 O LYS A 46 -6.186 -9.251 -4.351 1.00 0.44 O ATOM 706 CB LYS A 46 -5.000 -6.317 -5.724 1.00 0.39 C ATOM 707 CG LYS A 46 -6.034 -6.690 -6.773 1.00 0.91 C ATOM 708 CD LYS A 46 -5.954 -5.745 -7.963 1.00 0.91 C ATOM 709 CE LYS A 46 -6.736 -6.261 -9.158 1.00 1.26 C ATOM 710 NZ LYS A 46 -6.100 -7.463 -9.760 1.00 1.93 N ATOM 0 H LYS A 46 -3.261 -6.170 -4.043 1.00 0.29 H new ATOM 0 HA LYS A 46 -5.988 -6.841 -3.872 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -5.106 -5.257 -5.492 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.006 -6.452 -6.151 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -5.870 -7.715 -7.104 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.032 -6.651 -6.337 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -6.338 -4.767 -7.674 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -4.910 -5.607 -8.246 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -7.752 -6.505 -8.849 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -6.811 -5.475 -9.910 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -6.504 -7.634 -10.703 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -5.075 -7.308 -9.845 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -6.276 -8.289 -9.154 1.00 1.93 H new ATOM 724 N LYS A 47 -4.148 -9.188 -5.296 1.00 0.41 N ATOM 725 CA LYS A 47 -4.205 -10.573 -5.779 1.00 0.52 C ATOM 726 C LYS A 47 -4.185 -11.603 -4.647 1.00 0.57 C ATOM 727 O LYS A 47 -4.756 -12.684 -4.785 1.00 0.78 O ATOM 728 CB LYS A 47 -3.057 -10.860 -6.754 1.00 0.65 C ATOM 729 CG LYS A 47 -1.671 -10.670 -6.155 1.00 1.31 C ATOM 730 CD LYS A 47 -0.578 -10.897 -7.187 1.00 1.66 C ATOM 731 CE LYS A 47 0.751 -10.319 -6.725 1.00 2.33 C ATOM 732 NZ LYS A 47 1.816 -10.489 -7.747 1.00 2.96 N ATOM 0 H LYS A 47 -3.255 -8.722 -5.453 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.160 -10.672 -6.295 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -3.148 -11.885 -7.114 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.159 -10.207 -7.621 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -1.585 -9.662 -5.749 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -1.536 -11.361 -5.323 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -0.467 -11.965 -7.372 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -0.867 -10.438 -8.132 1.00 1.66 H new ATOM 0 HE2 LYS A 47 0.628 -9.259 -6.502 1.00 2.33 H new ATOM 0 HE3 LYS A 47 1.056 -10.806 -5.799 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 2.705 -10.082 -7.393 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 1.952 -11.502 -7.941 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 1.537 -10.003 -8.623 1.00 2.96 H new ATOM 746 N ASN A 48 -3.534 -11.278 -3.543 1.00 0.50 N ATOM 747 CA ASN A 48 -3.351 -12.248 -2.468 1.00 0.58 C ATOM 748 C ASN A 48 -4.280 -11.981 -1.289 1.00 0.58 C ATOM 749 O ASN A 48 -4.841 -12.909 -0.712 1.00 0.77 O ATOM 750 CB ASN A 48 -1.894 -12.233 -1.990 1.00 0.61 C ATOM 751 CG ASN A 48 -1.650 -13.144 -0.800 1.00 1.41 C ATOM 752 OD1 ASN A 48 -1.800 -12.736 0.351 1.00 2.21 O ATOM 753 ND2 ASN A 48 -1.260 -14.379 -1.064 1.00 2.09 N ATOM 0 H ASN A 48 -3.126 -10.360 -3.365 1.00 0.50 H new ATOM 0 HA ASN A 48 -3.600 -13.230 -2.871 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.245 -12.536 -2.812 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -1.616 -11.214 -1.723 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -1.073 -15.029 -0.300 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -1.146 -14.682 -2.031 1.00 2.09 H new ATOM 760 N LEU A 49 -4.462 -10.717 -0.953 1.00 0.42 N ATOM 761 CA LEU A 49 -5.090 -10.360 0.309 1.00 0.44 C ATOM 762 C LEU A 49 -6.544 -9.904 0.140 1.00 0.39 C ATOM 763 O LEU A 49 -7.365 -10.116 1.033 1.00 0.39 O ATOM 764 CB LEU A 49 -4.255 -9.267 0.980 1.00 0.50 C ATOM 765 CG LEU A 49 -4.580 -8.983 2.442 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.254 -10.189 3.309 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.818 -7.756 2.916 1.00 1.10 C ATOM 0 H LEU A 49 -4.186 -9.923 -1.532 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.124 -11.251 0.936 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.204 -9.545 0.909 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.379 -8.343 0.414 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.648 -8.785 2.531 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.493 -9.965 4.349 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -4.842 -11.045 2.978 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.193 -10.423 3.223 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -4.057 -7.561 3.962 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.747 -7.931 2.815 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.103 -6.895 2.312 1.00 1.10 H new ATOM 779 N LEU A 50 -6.872 -9.284 -0.996 1.00 0.39 N ATOM 780 CA LEU A 50 -8.215 -8.742 -1.199 1.00 0.39 C ATOM 781 C LEU A 50 -9.220 -9.885 -1.358 1.00 0.41 C ATOM 782 O LEU A 50 -9.141 -10.666 -2.309 1.00 0.50 O ATOM 783 CB LEU A 50 -8.228 -7.810 -2.422 1.00 0.47 C ATOM 784 CG LEU A 50 -9.371 -6.782 -2.479 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.691 -7.444 -2.776 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.489 -6.036 -1.173 1.00 0.62 C ATOM 0 H LEU A 50 -6.234 -9.146 -1.780 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.505 -8.156 -0.327 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.281 -7.272 -2.453 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -8.275 -8.425 -3.321 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.130 -6.085 -3.281 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.477 -6.690 -2.809 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -10.635 -7.952 -3.739 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.918 -8.170 -1.995 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -10.304 -5.315 -1.238 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.693 -6.742 -0.368 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.556 -5.511 -0.968 1.00 0.62 H new ATOM 798 N LYS A 51 -10.159 -9.974 -0.420 1.00 0.40 N ATOM 799 CA LYS A 51 -11.097 -11.092 -0.372 1.00 0.47 C ATOM 800 C LYS A 51 -12.241 -10.926 -1.370 1.00 0.52 C ATOM 801 O LYS A 51 -12.620 -11.882 -2.049 1.00 0.63 O ATOM 802 CB LYS A 51 -11.678 -11.249 1.038 1.00 0.52 C ATOM 803 CG LYS A 51 -10.635 -11.453 2.127 1.00 0.57 C ATOM 804 CD LYS A 51 -11.292 -11.721 3.472 1.00 1.08 C ATOM 805 CE LYS A 51 -12.022 -13.057 3.491 1.00 1.81 C ATOM 806 NZ LYS A 51 -11.083 -14.210 3.574 1.00 2.26 N ATOM 0 H LYS A 51 -10.291 -9.283 0.319 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.535 -11.986 -0.642 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.266 -10.363 1.276 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.363 -12.097 1.044 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.987 -12.289 1.862 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.001 -10.569 2.198 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -10.534 -11.710 4.255 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -11.995 -10.920 3.699 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -12.704 -13.084 4.341 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -12.630 -13.150 2.591 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -11.624 -15.098 3.584 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -10.448 -14.201 2.750 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -10.520 -14.137 4.446 1.00 2.26 H new ATOM 820 N GLU A 52 -12.793 -9.722 -1.456 1.00 0.52 N ATOM 821 CA GLU A 52 -13.965 -9.490 -2.297 1.00 0.59 C ATOM 822 C GLU A 52 -13.572 -8.901 -3.654 1.00 0.58 C ATOM 823 O GLU A 52 -12.560 -9.289 -4.235 1.00 0.72 O ATOM 824 CB GLU A 52 -14.969 -8.591 -1.570 1.00 0.66 C ATOM 825 CG GLU A 52 -14.395 -7.278 -1.059 1.00 0.64 C ATOM 826 CD GLU A 52 -15.431 -6.469 -0.303 1.00 0.90 C ATOM 827 OE1 GLU A 52 -16.161 -5.678 -0.941 1.00 1.15 O ATOM 828 OE2 GLU A 52 -15.536 -6.635 0.928 1.00 1.16 O ATOM 0 H GLU A 52 -12.454 -8.898 -0.960 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.442 -10.451 -2.491 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -15.795 -8.372 -2.246 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.385 -9.142 -0.727 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.546 -7.482 -0.407 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.019 -6.694 -1.899 1.00 0.64 H new ATOM 835 N ARG A 53 -14.385 -7.984 -4.166 1.00 0.65 N ATOM 836 CA ARG A 53 -14.117 -7.370 -5.459 1.00 0.68 C ATOM 837 C ARG A 53 -13.288 -6.100 -5.312 1.00 0.59 C ATOM 838 O ARG A 53 -13.740 -5.115 -4.727 1.00 0.65 O ATOM 839 CB ARG A 53 -15.419 -7.053 -6.195 1.00 0.87 C ATOM 840 CG ARG A 53 -16.175 -8.288 -6.644 1.00 1.34 C ATOM 841 CD ARG A 53 -17.365 -7.925 -7.514 1.00 1.78 C ATOM 842 NE ARG A 53 -18.021 -9.110 -8.057 1.00 2.46 N ATOM 843 CZ ARG A 53 -18.275 -9.291 -9.352 1.00 3.32 C ATOM 844 NH1 ARG A 53 -17.901 -8.380 -10.244 1.00 3.80 N ATOM 845 NH2 ARG A 53 -18.893 -10.395 -9.759 1.00 4.10 N ATOM 0 H ARG A 53 -15.232 -7.651 -3.706 1.00 0.65 H new ATOM 0 HA ARG A 53 -13.545 -8.090 -6.044 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.061 -6.461 -5.543 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.194 -6.437 -7.066 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -15.505 -8.945 -7.198 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -16.517 -8.844 -5.771 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -18.081 -7.349 -6.928 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -17.035 -7.285 -8.332 1.00 1.78 H new ATOM 0 HE ARG A 53 -18.302 -9.843 -7.406 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -17.416 -7.536 -9.939 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -18.098 -8.525 -11.234 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -19.172 -11.103 -9.080 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -19.088 -10.534 -10.750 1.00 4.10 H new ATOM 859 N PRO A 54 -12.057 -6.112 -5.852 1.00 0.55 N ATOM 860 CA PRO A 54 -11.166 -4.942 -5.866 1.00 0.53 C ATOM 861 C PRO A 54 -11.719 -3.785 -6.701 1.00 0.57 C ATOM 862 O PRO A 54 -11.122 -2.712 -6.766 1.00 0.59 O ATOM 863 CB PRO A 54 -9.878 -5.476 -6.498 1.00 0.61 C ATOM 864 CG PRO A 54 -9.957 -6.950 -6.328 1.00 0.68 C ATOM 865 CD PRO A 54 -11.412 -7.284 -6.464 1.00 0.65 C ATOM 0 HA PRO A 54 -11.033 -4.532 -4.865 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -9.810 -5.202 -7.551 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -8.996 -5.067 -6.005 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -9.362 -7.466 -7.082 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -9.572 -7.255 -5.355 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -11.705 -7.412 -7.506 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -11.668 -8.208 -5.945 1.00 0.65 H new ATOM 873 N GLU A 55 -12.848 -4.025 -7.351 1.00 0.64 N ATOM 874 CA GLU A 55 -13.546 -2.992 -8.109 1.00 0.75 C ATOM 875 C GLU A 55 -13.936 -1.824 -7.203 1.00 0.69 C ATOM 876 O GLU A 55 -13.826 -0.659 -7.593 1.00 0.80 O ATOM 877 CB GLU A 55 -14.785 -3.589 -8.777 1.00 0.92 C ATOM 878 CG GLU A 55 -14.457 -4.717 -9.741 1.00 1.39 C ATOM 879 CD GLU A 55 -15.688 -5.336 -10.367 1.00 1.89 C ATOM 880 OE1 GLU A 55 -16.224 -4.754 -11.333 1.00 2.27 O ATOM 881 OE2 GLU A 55 -16.115 -6.412 -9.907 1.00 2.43 O ATOM 0 H GLU A 55 -13.306 -4.936 -7.369 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.876 -2.610 -8.880 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.461 -3.962 -8.008 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.315 -2.803 -9.314 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -13.807 -4.337 -10.529 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -13.898 -5.489 -9.212 1.00 1.39 H new ATOM 888 N LEU A 56 -14.371 -2.144 -5.989 1.00 0.64 N ATOM 889 CA LEU A 56 -14.728 -1.123 -5.007 1.00 0.68 C ATOM 890 C LEU A 56 -13.502 -0.714 -4.209 1.00 0.59 C ATOM 891 O LEU A 56 -13.538 0.210 -3.399 1.00 0.69 O ATOM 892 CB LEU A 56 -15.813 -1.643 -4.071 1.00 0.81 C ATOM 893 CG LEU A 56 -17.138 -1.971 -4.750 1.00 1.09 C ATOM 894 CD1 LEU A 56 -18.155 -2.443 -3.727 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.655 -0.758 -5.511 1.00 2.05 C ATOM 0 H LEU A 56 -14.485 -3.103 -5.660 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.112 -0.251 -5.536 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -15.444 -2.539 -3.572 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -15.992 -0.898 -3.296 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.976 -2.779 -5.464 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -19.095 -2.673 -4.228 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -17.781 -3.337 -3.228 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -18.320 -1.658 -2.989 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -18.602 -1.006 -5.991 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.806 0.069 -4.818 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -16.928 -0.468 -6.270 1.00 2.05 H new ATOM 907 N PHE A 57 -12.418 -1.422 -4.459 1.00 0.47 N ATOM 908 CA PHE A 57 -11.141 -1.141 -3.845 1.00 0.41 C ATOM 909 C PHE A 57 -10.376 -0.156 -4.742 1.00 0.37 C ATOM 910 O PHE A 57 -10.946 0.419 -5.668 1.00 0.37 O ATOM 911 CB PHE A 57 -10.395 -2.476 -3.647 1.00 0.38 C ATOM 912 CG PHE A 57 -9.095 -2.404 -2.886 1.00 0.35 C ATOM 913 CD1 PHE A 57 -9.011 -1.741 -1.675 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.955 -3.016 -3.389 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.818 -1.689 -0.977 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.761 -2.970 -2.694 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.694 -2.305 -1.487 1.00 0.35 C ATOM 0 H PHE A 57 -12.402 -2.215 -5.100 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.250 -0.675 -2.866 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.059 -3.166 -3.127 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.194 -2.906 -4.628 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.888 -1.258 -1.269 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -8.002 -3.535 -4.335 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.767 -1.166 -0.033 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.882 -3.454 -3.095 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.762 -2.267 -0.942 1.00 0.35 H new ATOM 927 N ILE A 58 -9.105 0.032 -4.475 1.00 0.36 N ATOM 928 CA ILE A 58 -8.299 1.022 -5.166 1.00 0.36 C ATOM 929 C ILE A 58 -7.856 0.576 -6.560 1.00 0.30 C ATOM 930 O ILE A 58 -7.931 -0.603 -6.913 1.00 0.30 O ATOM 931 CB ILE A 58 -7.051 1.337 -4.331 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.173 0.092 -4.225 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.465 1.815 -2.955 1.00 0.97 C ATOM 934 CD1 ILE A 58 -4.958 0.269 -3.341 1.00 0.90 C ATOM 0 H ILE A 58 -8.594 -0.498 -3.769 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.928 1.904 -5.291 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.478 2.127 -4.817 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.774 -0.732 -3.839 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.844 -0.194 -5.224 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.576 2.038 -2.365 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -8.073 2.715 -3.050 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -8.045 1.037 -2.459 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.387 -0.659 -3.318 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.333 1.070 -3.737 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.277 0.524 -2.330 1.00 0.90 H new ATOM 946 N GLN A 59 -7.424 1.559 -7.346 1.00 0.31 N ATOM 947 CA GLN A 59 -6.937 1.344 -8.703 1.00 0.30 C ATOM 948 C GLN A 59 -5.695 0.467 -8.680 1.00 0.27 C ATOM 949 O GLN A 59 -4.926 0.517 -7.724 1.00 0.29 O ATOM 950 CB GLN A 59 -6.586 2.690 -9.352 1.00 0.39 C ATOM 951 CG GLN A 59 -5.435 3.411 -8.653 1.00 0.56 C ATOM 952 CD GLN A 59 -5.090 4.747 -9.284 1.00 0.60 C ATOM 953 OE1 GLN A 59 -3.829 5.161 -9.167 1.00 1.35 O flip ATOM 954 NE2 GLN A 59 -5.953 5.414 -9.856 1.00 0.58 N flip ATOM 0 H GLN A 59 -7.403 2.536 -7.054 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.720 0.851 -9.279 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.322 2.525 -10.397 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.467 3.331 -9.343 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.696 3.568 -7.607 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.552 2.771 -8.668 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -6.908 5.062 -9.924 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -5.713 6.319 -10.261 1.00 0.58 H new ATOM 963 N GLY A 60 -5.514 -0.342 -9.717 1.00 0.32 N ATOM 964 CA GLY A 60 -4.341 -1.199 -9.807 1.00 0.38 C ATOM 965 C GLY A 60 -3.073 -0.414 -10.111 1.00 0.37 C ATOM 966 O GLY A 60 -2.290 -0.788 -10.985 1.00 0.55 O ATOM 0 H GLY A 60 -6.160 -0.422 -10.502 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.215 -1.738 -8.868 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.498 -1.946 -10.585 1.00 0.38 H new ATOM 970 N ASP A 61 -2.881 0.678 -9.384 1.00 0.40 N ATOM 971 CA ASP A 61 -1.738 1.562 -9.573 1.00 0.46 C ATOM 972 C ASP A 61 -1.281 2.107 -8.227 1.00 0.44 C ATOM 973 O ASP A 61 -0.179 1.817 -7.773 1.00 0.54 O ATOM 974 CB ASP A 61 -2.084 2.737 -10.502 1.00 0.55 C ATOM 975 CG ASP A 61 -2.398 2.318 -11.925 1.00 0.81 C ATOM 976 OD1 ASP A 61 -3.556 1.938 -12.201 1.00 0.96 O ATOM 977 OD2 ASP A 61 -1.491 2.389 -12.783 1.00 1.06 O ATOM 0 H ASP A 61 -3.516 0.977 -8.644 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.939 0.981 -10.034 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.941 3.272 -10.093 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.248 3.437 -10.515 1.00 0.55 H new ATOM 982 N SER A 62 -2.162 2.868 -7.579 1.00 0.40 N ATOM 983 CA SER A 62 -1.832 3.537 -6.325 1.00 0.46 C ATOM 984 C SER A 62 -3.016 3.446 -5.350 1.00 0.47 C ATOM 985 O SER A 62 -2.977 2.675 -4.397 1.00 0.70 O ATOM 986 CB SER A 62 -1.448 4.999 -6.604 1.00 0.53 C ATOM 987 OG SER A 62 -0.808 5.598 -5.496 1.00 0.80 O ATOM 0 H SER A 62 -3.114 3.036 -7.905 1.00 0.40 H new ATOM 0 HA SER A 62 -0.979 3.042 -5.861 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.788 5.042 -7.471 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.343 5.567 -6.857 1.00 0.53 H new ATOM 0 HG SER A 62 -1.429 6.213 -5.053 1.00 0.80 H new ATOM 993 N VAL A 63 -4.066 4.233 -5.601 1.00 0.38 N ATOM 994 CA VAL A 63 -5.322 4.154 -4.841 1.00 0.37 C ATOM 995 C VAL A 63 -6.450 4.834 -5.604 1.00 0.40 C ATOM 996 O VAL A 63 -6.210 5.697 -6.447 1.00 0.52 O ATOM 997 CB VAL A 63 -5.243 4.801 -3.438 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.844 3.790 -2.378 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.290 5.978 -3.434 1.00 0.78 C ATOM 0 H VAL A 63 -4.072 4.942 -6.334 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.513 3.089 -4.712 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.241 5.165 -3.194 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.799 4.281 -1.406 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -5.581 2.987 -2.345 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.866 3.375 -2.621 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.254 6.414 -2.435 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.294 5.640 -3.719 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -4.636 6.728 -4.145 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.681 4.429 -5.312 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.857 5.079 -5.878 1.00 0.40 C ATOM 1011 C ARG A 64 -9.073 6.420 -5.185 1.00 0.40 C ATOM 1012 O ARG A 64 -8.433 6.693 -4.177 1.00 0.40 O ATOM 1013 CB ARG A 64 -10.106 4.195 -5.699 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.337 3.731 -4.262 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.796 3.370 -3.990 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.386 2.561 -5.051 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.601 2.772 -5.557 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -14.339 3.781 -5.107 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.078 1.975 -6.502 1.00 2.05 N ATOM 0 H ARG A 64 -7.891 3.652 -4.685 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.695 5.235 -6.945 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.982 4.749 -6.037 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -10.015 3.320 -6.342 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.708 2.865 -4.058 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.027 4.519 -3.575 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.861 2.828 -3.047 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -12.376 4.285 -3.872 1.00 0.45 H new ATOM 0 HE ARG A 64 -11.837 1.789 -5.428 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.976 4.392 -4.376 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -15.269 3.944 -5.493 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -13.515 1.197 -6.845 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.008 2.140 -6.887 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.981 7.272 -5.694 1.00 0.49 N ATOM 1034 CA PRO A 65 -10.360 8.511 -5.000 1.00 0.53 C ATOM 1035 C PRO A 65 -10.970 8.216 -3.631 1.00 0.44 C ATOM 1036 O PRO A 65 -11.147 9.104 -2.799 1.00 0.51 O ATOM 1037 CB PRO A 65 -11.409 9.147 -5.917 1.00 0.65 C ATOM 1038 CG PRO A 65 -11.243 8.487 -7.245 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.678 7.120 -6.983 1.00 0.61 C ATOM 0 HA PRO A 65 -9.501 9.157 -4.818 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -12.415 8.992 -5.527 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -11.259 10.224 -5.994 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -12.199 8.417 -7.764 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -10.575 9.065 -7.883 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -11.463 6.366 -6.927 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.995 6.811 -7.774 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.293 6.947 -3.428 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.867 6.501 -2.185 1.00 0.32 C ATOM 1049 C GLY A 66 -10.833 6.286 -1.098 1.00 0.25 C ATOM 1050 O GLY A 66 -10.947 6.853 -0.013 1.00 0.27 O ATOM 0 H GLY A 66 -11.162 6.209 -4.120 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.597 7.235 -1.844 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.407 5.569 -2.354 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.829 5.451 -1.360 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.797 5.199 -0.364 1.00 0.23 C ATOM 1056 C ILE A 67 -7.570 6.081 -0.591 1.00 0.24 C ATOM 1057 O ILE A 67 -7.095 6.217 -1.709 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.389 3.716 -0.370 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.646 2.856 -0.198 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.377 3.427 0.730 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.378 1.378 -0.065 1.00 0.34 C ATOM 0 H ILE A 67 -9.711 4.947 -2.239 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.216 5.448 0.611 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.912 3.474 -1.320 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.185 3.196 0.686 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.302 3.018 -1.053 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.104 2.372 0.705 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.486 4.036 0.574 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.815 3.666 1.699 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.322 0.846 0.053 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.868 1.019 -0.959 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.750 1.199 0.808 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.087 6.687 0.484 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.890 7.524 0.445 1.00 0.29 C ATOM 1075 C LEU A 68 -4.721 6.765 1.065 1.00 0.28 C ATOM 1076 O LEU A 68 -4.931 5.870 1.876 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.128 8.825 1.221 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.397 9.597 0.843 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.551 10.834 1.713 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.375 9.986 -0.627 1.00 0.44 C ATOM 0 H LEU A 68 -7.511 6.614 1.409 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.660 7.769 -0.592 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.170 8.590 2.285 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.268 9.479 1.072 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.253 8.944 1.014 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.458 11.368 1.429 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.618 10.537 2.760 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.688 11.485 1.575 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.285 10.533 -0.872 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.508 10.617 -0.823 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.315 9.087 -1.240 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.497 7.108 0.692 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.329 6.417 1.225 1.00 0.27 C ATOM 1094 C VAL A 69 -1.382 7.368 1.939 1.00 0.19 C ATOM 1095 O VAL A 69 -1.050 8.438 1.432 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.538 5.681 0.116 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.213 5.137 0.637 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.359 4.555 -0.463 1.00 0.81 C ATOM 0 H VAL A 69 -3.286 7.853 0.029 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.717 5.690 1.938 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.323 6.409 -0.666 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.313 4.627 -0.170 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.399 5.960 1.006 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.402 4.434 1.448 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.786 4.050 -1.241 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.608 3.844 0.325 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.277 4.957 -0.892 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.962 6.972 3.124 1.00 0.18 N ATOM 1109 CA LEU A 70 0.154 7.620 3.779 1.00 0.16 C ATOM 1110 C LEU A 70 1.430 6.895 3.406 1.00 0.15 C ATOM 1111 O LEU A 70 1.586 5.718 3.715 1.00 0.19 O ATOM 1112 CB LEU A 70 0.020 7.619 5.303 1.00 0.22 C ATOM 1113 CG LEU A 70 -1.063 8.523 5.891 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -0.879 8.626 7.398 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.030 9.902 5.250 1.00 0.90 C ATOM 0 H LEU A 70 -1.377 6.205 3.652 1.00 0.18 H new ATOM 0 HA LEU A 70 0.172 8.658 3.446 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -0.175 6.597 5.628 1.00 0.22 H new ATOM 0 HB3 LEU A 70 0.979 7.912 5.730 1.00 0.22 H new ATOM 0 HG LEU A 70 -2.038 8.084 5.680 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.652 9.271 7.816 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -0.955 7.634 7.843 1.00 0.95 H new ATOM 0 HD13 LEU A 70 0.102 9.047 7.617 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.811 10.525 5.687 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.058 10.362 5.426 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.198 9.809 4.177 1.00 0.90 H new ATOM 1127 N ILE A 71 2.314 7.577 2.708 1.00 0.14 N ATOM 1128 CA ILE A 71 3.647 7.057 2.499 1.00 0.17 C ATOM 1129 C ILE A 71 4.494 7.466 3.674 1.00 0.20 C ATOM 1130 O ILE A 71 4.748 8.659 3.861 1.00 0.24 O ATOM 1131 CB ILE A 71 4.321 7.578 1.217 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.515 7.172 -0.019 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.750 7.047 1.142 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.462 5.680 -0.248 1.00 0.20 C ATOM 0 H ILE A 71 2.135 8.485 2.279 1.00 0.14 H new ATOM 0 HA ILE A 71 3.559 5.975 2.396 1.00 0.17 H new ATOM 0 HB ILE A 71 4.353 8.667 1.244 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.498 7.551 0.081 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.949 7.650 -0.897 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.228 7.416 0.234 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.311 7.388 2.012 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.733 5.957 1.126 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.874 5.470 -1.141 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.473 5.296 -0.381 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.000 5.196 0.613 1.00 0.20 H new ATOM 1146 N ASN A 72 4.868 6.487 4.485 1.00 0.22 N ATOM 1147 CA ASN A 72 5.686 6.712 5.670 1.00 0.28 C ATOM 1148 C ASN A 72 4.844 7.331 6.771 1.00 0.27 C ATOM 1149 O ASN A 72 4.788 6.804 7.883 1.00 0.31 O ATOM 1150 CB ASN A 72 6.886 7.604 5.338 1.00 0.41 C ATOM 1151 CG ASN A 72 8.084 7.317 6.206 1.00 1.04 C ATOM 1152 OD1 ASN A 72 8.272 7.922 7.260 1.00 1.94 O ATOM 1153 ND2 ASN A 72 8.904 6.385 5.754 1.00 1.33 N ATOM 0 H ASN A 72 4.612 5.510 4.340 1.00 0.22 H new ATOM 0 HA ASN A 72 6.068 5.753 6.020 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.159 7.464 4.292 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.600 8.649 5.456 1.00 0.41 H new ATOM 0 HD21 ASN A 72 9.738 6.138 6.286 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.703 5.912 4.873 1.00 1.33 H new ATOM 1160 N ASP A 73 4.188 8.436 6.428 1.00 0.26 N ATOM 1161 CA ASP A 73 3.260 9.137 7.315 1.00 0.29 C ATOM 1162 C ASP A 73 2.670 10.364 6.597 1.00 0.28 C ATOM 1163 O ASP A 73 2.055 11.231 7.213 1.00 0.36 O ATOM 1164 CB ASP A 73 3.990 9.562 8.595 1.00 0.36 C ATOM 1165 CG ASP A 73 3.093 10.212 9.632 1.00 0.62 C ATOM 1166 OD1 ASP A 73 2.365 9.485 10.337 1.00 1.03 O ATOM 1167 OD2 ASP A 73 3.134 11.453 9.762 1.00 0.65 O ATOM 0 H ASP A 73 4.286 8.877 5.514 1.00 0.26 H new ATOM 0 HA ASP A 73 2.442 8.468 7.583 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.464 8.686 9.038 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.787 10.258 8.332 1.00 0.36 H new ATOM 1172 N ALA A 74 2.814 10.410 5.272 1.00 0.27 N ATOM 1173 CA ALA A 74 2.477 11.613 4.514 1.00 0.29 C ATOM 1174 C ALA A 74 1.680 11.281 3.257 1.00 0.25 C ATOM 1175 O ALA A 74 1.571 10.121 2.874 1.00 0.20 O ATOM 1176 CB ALA A 74 3.744 12.372 4.149 1.00 0.33 C ATOM 0 H ALA A 74 3.159 9.634 4.706 1.00 0.27 H new ATOM 0 HA ALA A 74 1.850 12.241 5.146 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.482 13.267 3.584 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.271 12.658 5.059 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.387 11.735 3.542 1.00 0.33 H new ATOM 1182 N ASP A 75 1.134 12.311 2.618 1.00 0.30 N ATOM 1183 CA ASP A 75 0.301 12.139 1.425 1.00 0.29 C ATOM 1184 C ASP A 75 1.089 11.508 0.283 1.00 0.23 C ATOM 1185 O ASP A 75 2.019 12.107 -0.259 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.289 13.476 0.968 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.312 14.031 1.938 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -0.914 14.717 2.902 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -2.523 13.791 1.739 1.00 0.61 O ATOM 0 H ASP A 75 1.253 13.282 2.907 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.514 11.468 1.697 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.517 14.200 0.844 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.755 13.347 -0.009 1.00 0.36 H new ATOM 1194 N TRP A 76 0.689 10.296 -0.074 1.00 0.21 N ATOM 1195 CA TRP A 76 1.345 9.506 -1.111 1.00 0.17 C ATOM 1196 C TRP A 76 1.544 10.283 -2.414 1.00 0.16 C ATOM 1197 O TRP A 76 2.643 10.294 -2.969 1.00 0.14 O ATOM 1198 CB TRP A 76 0.533 8.228 -1.381 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.756 8.439 -2.144 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.077 7.871 -3.341 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.879 9.278 -1.795 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.304 8.304 -3.766 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.822 9.161 -2.834 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.182 10.113 -0.712 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.033 9.844 -2.825 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.386 10.788 -0.704 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.297 10.649 -1.754 1.00 0.34 C ATOM 0 H TRP A 76 -0.110 9.826 0.352 1.00 0.21 H new ATOM 0 HA TRP A 76 2.338 9.250 -0.740 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.157 7.530 -1.938 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.300 7.755 -0.427 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.450 7.176 -3.879 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.759 8.032 -4.637 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.484 10.227 0.104 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.739 9.742 -3.636 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.628 11.434 0.127 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.231 11.190 -1.718 1.00 0.34 H new ATOM 1218 N GLU A 77 0.494 10.949 -2.879 1.00 0.19 N ATOM 1219 CA GLU A 77 0.495 11.575 -4.193 1.00 0.21 C ATOM 1220 C GLU A 77 1.526 12.697 -4.267 1.00 0.21 C ATOM 1221 O GLU A 77 2.081 12.977 -5.327 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.897 12.117 -4.524 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.431 13.103 -3.499 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.701 13.786 -3.959 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -2.624 14.635 -4.870 1.00 0.82 O ATOM 1226 OE2 GLU A 77 -3.778 13.489 -3.407 1.00 0.74 O ATOM 0 H GLU A 77 -0.375 11.069 -2.359 1.00 0.19 H new ATOM 0 HA GLU A 77 0.765 10.816 -4.927 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.865 12.603 -5.499 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.592 11.281 -4.607 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.622 12.580 -2.562 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.671 13.857 -3.294 1.00 0.49 H new ATOM 1233 N LEU A 78 1.789 13.321 -3.127 1.00 0.24 N ATOM 1234 CA LEU A 78 2.718 14.439 -3.064 1.00 0.29 C ATOM 1235 C LEU A 78 4.145 13.942 -2.877 1.00 0.25 C ATOM 1236 O LEU A 78 5.100 14.705 -2.995 1.00 0.35 O ATOM 1237 CB LEU A 78 2.345 15.373 -1.908 1.00 0.47 C ATOM 1238 CG LEU A 78 0.946 15.990 -1.981 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.653 16.791 -0.722 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.816 16.875 -3.208 1.00 1.00 C ATOM 0 H LEU A 78 1.370 13.070 -2.231 1.00 0.24 H new ATOM 0 HA LEU A 78 2.656 14.986 -4.005 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.429 14.817 -0.974 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.077 16.180 -1.866 1.00 0.47 H new ATOM 0 HG LEU A 78 0.219 15.182 -2.058 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.345 17.223 -0.790 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.706 16.135 0.147 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.388 17.590 -0.620 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.185 17.304 -3.242 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.553 17.676 -3.158 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.987 16.280 -4.105 1.00 1.00 H new ATOM 1252 N LEU A 79 4.284 12.655 -2.591 1.00 0.20 N ATOM 1253 CA LEU A 79 5.585 12.086 -2.275 1.00 0.20 C ATOM 1254 C LEU A 79 6.127 11.210 -3.404 1.00 0.20 C ATOM 1255 O LEU A 79 7.338 11.107 -3.581 1.00 0.22 O ATOM 1256 CB LEU A 79 5.495 11.275 -0.979 1.00 0.22 C ATOM 1257 CG LEU A 79 5.848 12.036 0.303 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.897 13.199 0.539 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.831 11.094 1.492 1.00 0.75 C ATOM 0 H LEU A 79 3.513 11.987 -2.571 1.00 0.20 H new ATOM 0 HA LEU A 79 6.282 12.914 -2.147 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.480 10.888 -0.883 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.158 10.414 -1.063 1.00 0.22 H new ATOM 0 HG LEU A 79 6.852 12.445 0.185 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.176 13.717 1.457 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.954 13.892 -0.301 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.878 12.823 0.630 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.083 11.646 2.397 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.837 10.659 1.597 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.560 10.299 1.337 1.00 0.75 H new ATOM 1271 N GLY A 80 5.243 10.589 -4.175 1.00 0.20 N ATOM 1272 CA GLY A 80 5.695 9.708 -5.240 1.00 0.22 C ATOM 1273 C GLY A 80 4.782 8.516 -5.422 1.00 0.19 C ATOM 1274 O GLY A 80 4.743 7.914 -6.496 1.00 0.22 O ATOM 0 H GLY A 80 4.231 10.677 -4.085 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.749 10.268 -6.174 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.704 9.360 -5.018 1.00 0.22 H new ATOM 1278 N GLU A 81 4.049 8.195 -4.354 1.00 0.17 N ATOM 1279 CA GLU A 81 3.014 7.158 -4.344 1.00 0.20 C ATOM 1280 C GLU A 81 3.425 5.859 -5.058 1.00 0.16 C ATOM 1281 O GLU A 81 4.485 5.308 -4.777 1.00 0.17 O ATOM 1282 CB GLU A 81 1.683 7.705 -4.891 1.00 0.33 C ATOM 1283 CG GLU A 81 1.797 8.566 -6.135 1.00 0.48 C ATOM 1284 CD GLU A 81 0.447 8.924 -6.722 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.446 8.050 -6.736 1.00 0.58 O ATOM 1286 OE2 GLU A 81 0.268 10.078 -7.163 1.00 0.41 O ATOM 0 H GLU A 81 4.160 8.658 -3.452 1.00 0.17 H new ATOM 0 HA GLU A 81 2.876 6.881 -3.299 1.00 0.20 H new ATOM 0 HB2 GLU A 81 1.026 6.863 -5.111 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.200 8.290 -4.108 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.337 9.481 -5.891 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.387 8.038 -6.885 1.00 0.48 H new ATOM 1293 N LEU A 82 2.563 5.392 -5.967 1.00 0.16 N ATOM 1294 CA LEU A 82 2.669 4.073 -6.608 1.00 0.18 C ATOM 1295 C LEU A 82 4.106 3.663 -6.968 1.00 0.16 C ATOM 1296 O LEU A 82 4.568 2.596 -6.564 1.00 0.20 O ATOM 1297 CB LEU A 82 1.788 4.020 -7.866 1.00 0.24 C ATOM 1298 CG LEU A 82 2.215 4.890 -9.056 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.347 4.587 -10.266 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.130 6.367 -8.713 1.00 1.19 C ATOM 0 H LEU A 82 1.756 5.929 -6.285 1.00 0.16 H new ATOM 0 HA LEU A 82 2.320 3.355 -5.865 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.742 2.985 -8.203 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.776 4.308 -7.582 1.00 0.24 H new ATOM 0 HG LEU A 82 3.253 4.654 -9.291 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.660 5.211 -11.104 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.453 3.536 -10.536 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.304 4.796 -10.027 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.438 6.959 -9.575 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.104 6.620 -8.447 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.787 6.583 -7.870 1.00 1.19 H new ATOM 1312 N ASP A 83 4.820 4.502 -7.702 1.00 0.20 N ATOM 1313 CA ASP A 83 6.163 4.148 -8.146 1.00 0.24 C ATOM 1314 C ASP A 83 7.191 4.708 -7.188 1.00 0.26 C ATOM 1315 O ASP A 83 7.881 5.689 -7.473 1.00 0.56 O ATOM 1316 CB ASP A 83 6.430 4.636 -9.571 1.00 0.34 C ATOM 1317 CG ASP A 83 5.546 3.950 -10.591 1.00 1.21 C ATOM 1318 OD1 ASP A 83 5.724 2.735 -10.824 1.00 1.72 O ATOM 1319 OD2 ASP A 83 4.666 4.620 -11.169 1.00 2.00 O ATOM 0 H ASP A 83 4.499 5.423 -8.001 1.00 0.20 H new ATOM 0 HA ASP A 83 6.241 3.061 -8.153 1.00 0.24 H new ATOM 0 HB2 ASP A 83 6.268 5.713 -9.620 1.00 0.34 H new ATOM 0 HB3 ASP A 83 7.476 4.459 -9.823 1.00 0.34 H new ATOM 1324 N TYR A 84 7.255 4.089 -6.028 1.00 0.21 N ATOM 1325 CA TYR A 84 8.183 4.485 -5.000 1.00 0.19 C ATOM 1326 C TYR A 84 9.363 3.537 -4.963 1.00 0.21 C ATOM 1327 O TYR A 84 9.232 2.359 -5.276 1.00 0.33 O ATOM 1328 CB TYR A 84 7.494 4.486 -3.643 1.00 0.19 C ATOM 1329 CG TYR A 84 7.583 5.808 -2.935 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.805 6.296 -2.502 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.451 6.574 -2.715 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.895 7.512 -1.865 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.528 7.791 -2.079 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.759 8.256 -1.655 1.00 0.25 C ATOM 1335 OH TYR A 84 7.860 9.462 -1.011 1.00 0.30 O ATOM 0 H TYR A 84 6.663 3.298 -5.775 1.00 0.21 H new ATOM 0 HA TYR A 84 8.538 5.491 -5.226 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.445 4.222 -3.775 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.940 3.714 -3.016 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.700 5.714 -2.667 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.491 6.210 -3.049 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.854 7.880 -1.532 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.636 8.377 -1.913 1.00 0.21 H new ATOM 0 HH TYR A 84 8.409 9.358 -0.206 1.00 0.30 H new ATOM 1345 N GLN A 85 10.507 4.053 -4.567 1.00 0.27 N ATOM 1346 CA GLN A 85 11.693 3.234 -4.400 1.00 0.28 C ATOM 1347 C GLN A 85 11.801 2.821 -2.941 1.00 0.24 C ATOM 1348 O GLN A 85 12.814 2.278 -2.500 1.00 0.28 O ATOM 1349 CB GLN A 85 12.953 3.997 -4.853 1.00 0.40 C ATOM 1350 CG GLN A 85 13.465 5.040 -3.857 1.00 0.70 C ATOM 1351 CD GLN A 85 12.479 6.162 -3.563 1.00 0.77 C ATOM 1352 OE1 GLN A 85 11.678 6.542 -4.548 1.00 1.74 O flip ATOM 1353 NE2 GLN A 85 12.449 6.698 -2.456 1.00 0.74 N flip ATOM 0 H GLN A 85 10.643 5.041 -4.353 1.00 0.27 H new ATOM 0 HA GLN A 85 11.612 2.343 -5.023 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.748 3.276 -5.044 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.739 4.493 -5.800 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.717 4.540 -2.922 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.386 5.474 -4.245 1.00 0.70 H new ATOM 0 HE21 GLN A 85 13.079 6.382 -1.719 1.00 0.74 H new ATOM 0 HE22 GLN A 85 11.794 7.459 -2.275 1.00 0.74 H new ATOM 1362 N LEU A 86 10.701 3.061 -2.225 1.00 0.22 N ATOM 1363 CA LEU A 86 10.583 2.780 -0.795 1.00 0.24 C ATOM 1364 C LEU A 86 11.552 3.604 0.045 1.00 0.30 C ATOM 1365 O LEU A 86 12.595 4.061 -0.426 1.00 0.34 O ATOM 1366 CB LEU A 86 10.778 1.282 -0.509 1.00 0.25 C ATOM 1367 CG LEU A 86 9.681 0.366 -1.051 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.311 0.874 -0.630 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.785 0.247 -2.562 1.00 0.86 C ATOM 0 H LEU A 86 9.855 3.462 -2.629 1.00 0.22 H new ATOM 0 HA LEU A 86 9.573 3.069 -0.506 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.732 0.969 -0.933 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.847 1.141 0.570 1.00 0.25 H new ATOM 0 HG LEU A 86 9.815 -0.630 -0.628 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.540 0.211 -1.024 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.250 0.896 0.458 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.160 1.880 -1.022 1.00 0.75 H new ATOM 0 HD21 LEU A 86 8.996 -0.409 -2.930 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.677 1.233 -3.013 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.757 -0.169 -2.828 1.00 0.86 H new ATOM 1381 N GLN A 87 11.174 3.829 1.288 1.00 0.39 N ATOM 1382 CA GLN A 87 12.068 4.413 2.259 1.00 0.51 C ATOM 1383 C GLN A 87 11.953 3.639 3.562 1.00 0.76 C ATOM 1384 O GLN A 87 10.940 2.994 3.819 1.00 1.74 O ATOM 1385 CB GLN A 87 11.819 5.917 2.448 1.00 0.46 C ATOM 1386 CG GLN A 87 10.382 6.324 2.753 1.00 0.86 C ATOM 1387 CD GLN A 87 9.590 6.762 1.522 1.00 0.65 C ATOM 1388 OE1 GLN A 87 9.648 7.925 1.117 1.00 1.18 O ATOM 1389 NE2 GLN A 87 8.803 5.855 0.957 1.00 0.48 N ATOM 0 H GLN A 87 10.245 3.613 1.648 1.00 0.39 H new ATOM 0 HA GLN A 87 13.091 4.335 1.892 1.00 0.51 H new ATOM 0 HB2 GLN A 87 12.456 6.271 3.259 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.138 6.434 1.543 1.00 0.46 H new ATOM 0 HG2 GLN A 87 9.869 5.485 3.224 1.00 0.86 H new ATOM 0 HG3 GLN A 87 10.391 7.139 3.477 1.00 0.86 H new ATOM 0 HE21 GLN A 87 8.781 4.902 1.320 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.220 6.111 0.160 1.00 0.48 H new ATOM 1398 N ASP A 88 12.991 3.675 4.372 1.00 0.43 N ATOM 1399 CA ASP A 88 13.061 2.781 5.519 1.00 0.40 C ATOM 1400 C ASP A 88 12.070 3.183 6.599 1.00 0.32 C ATOM 1401 O ASP A 88 11.857 4.371 6.854 1.00 0.36 O ATOM 1402 CB ASP A 88 14.473 2.721 6.097 1.00 0.56 C ATOM 1403 CG ASP A 88 14.575 1.757 7.263 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.132 0.598 7.117 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.092 2.151 8.329 1.00 1.53 O ATOM 0 H ASP A 88 13.788 4.302 4.264 1.00 0.43 H new ATOM 0 HA ASP A 88 12.795 1.786 5.162 1.00 0.40 H new ATOM 0 HB2 ASP A 88 15.171 2.419 5.316 1.00 0.56 H new ATOM 0 HB3 ASP A 88 14.772 3.717 6.424 1.00 0.56 H new ATOM 1410 N GLN A 89 11.463 2.170 7.208 1.00 0.31 N ATOM 1411 CA GLN A 89 10.462 2.344 8.257 1.00 0.34 C ATOM 1412 C GLN A 89 9.203 2.989 7.692 1.00 0.34 C ATOM 1413 O GLN A 89 8.414 3.593 8.423 1.00 0.42 O ATOM 1414 CB GLN A 89 11.014 3.156 9.432 1.00 0.40 C ATOM 1415 CG GLN A 89 12.220 2.515 10.109 1.00 0.62 C ATOM 1416 CD GLN A 89 12.017 1.038 10.406 1.00 0.77 C ATOM 1417 OE1 GLN A 89 11.481 0.671 11.451 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.479 0.180 9.504 1.00 0.71 N ATOM 0 H GLN A 89 11.654 1.193 6.985 1.00 0.31 H new ATOM 0 HA GLN A 89 10.202 1.356 8.638 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.293 4.148 9.077 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.224 3.292 10.171 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.095 2.635 9.470 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.430 3.042 11.040 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.917 0.525 8.650 1.00 0.71 H new ATOM 0 HE22 GLN A 89 12.396 -0.824 9.665 1.00 0.71 H new ATOM 1427 N ASP A 90 9.025 2.836 6.384 1.00 0.30 N ATOM 1428 CA ASP A 90 7.836 3.318 5.693 1.00 0.34 C ATOM 1429 C ASP A 90 6.584 2.785 6.338 1.00 0.32 C ATOM 1430 O ASP A 90 6.409 1.574 6.446 1.00 0.45 O ATOM 1431 CB ASP A 90 7.818 2.853 4.242 1.00 0.45 C ATOM 1432 CG ASP A 90 8.062 3.950 3.257 1.00 0.75 C ATOM 1433 OD1 ASP A 90 7.718 5.109 3.557 1.00 1.17 O ATOM 1434 OD2 ASP A 90 8.596 3.649 2.166 1.00 1.06 O ATOM 0 H ASP A 90 9.700 2.375 5.774 1.00 0.30 H new ATOM 0 HA ASP A 90 7.866 4.406 5.748 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.576 2.081 4.108 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.853 2.393 4.029 1.00 0.45 H new ATOM 1439 N SER A 91 5.716 3.662 6.779 1.00 0.23 N ATOM 1440 CA SER A 91 4.415 3.250 7.148 1.00 0.21 C ATOM 1441 C SER A 91 3.462 3.579 6.019 1.00 0.17 C ATOM 1442 O SER A 91 2.974 4.700 5.905 1.00 0.17 O ATOM 1443 CB SER A 91 4.022 3.967 8.409 1.00 0.25 C ATOM 1444 OG SER A 91 4.872 3.617 9.491 1.00 1.14 O ATOM 0 H SER A 91 5.901 4.659 6.885 1.00 0.23 H new ATOM 0 HA SER A 91 4.383 2.176 7.331 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.064 5.044 8.245 1.00 0.25 H new ATOM 0 HB3 SER A 91 2.990 3.723 8.661 1.00 0.25 H new ATOM 0 HG SER A 91 4.592 4.100 10.296 1.00 1.14 H new ATOM 1450 N ILE A 92 3.231 2.600 5.175 1.00 0.17 N ATOM 1451 CA ILE A 92 2.354 2.777 4.037 1.00 0.15 C ATOM 1452 C ILE A 92 0.961 2.357 4.446 1.00 0.14 C ATOM 1453 O ILE A 92 0.683 1.169 4.607 1.00 0.17 O ATOM 1454 CB ILE A 92 2.814 1.939 2.821 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.333 2.042 2.616 1.00 0.19 C ATOM 1456 CG2 ILE A 92 2.079 2.376 1.564 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.864 3.459 2.494 1.00 0.21 C ATOM 0 H ILE A 92 3.639 1.669 5.254 1.00 0.17 H new ATOM 0 HA ILE A 92 2.375 3.824 3.736 1.00 0.15 H new ATOM 0 HB ILE A 92 2.572 0.896 3.024 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.832 1.553 3.452 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.602 1.489 1.716 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.415 1.776 0.719 1.00 0.19 H new ATOM 0 HG22 ILE A 92 1.007 2.238 1.703 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.287 3.428 1.368 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.944 3.432 2.352 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.398 3.950 1.640 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.632 4.014 3.403 1.00 0.21 H new ATOM 1469 N LEU A 93 0.092 3.328 4.626 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.211 3.056 5.195 1.00 0.14 C ATOM 1471 C LEU A 93 -2.315 3.448 4.227 1.00 0.14 C ATOM 1472 O LEU A 93 -2.348 4.572 3.725 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.373 3.815 6.517 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.226 3.116 7.582 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.460 4.037 8.764 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.550 2.653 7.002 1.00 0.56 C ATOM 0 H LEU A 93 0.261 4.306 4.389 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.288 1.986 5.386 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.383 3.999 6.934 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.815 4.788 6.305 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.681 2.237 7.927 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -3.067 3.524 9.510 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.502 4.315 9.204 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -2.979 4.935 8.428 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -4.135 2.161 7.779 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.102 3.513 6.622 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.365 1.952 6.188 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.214 2.511 3.972 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.373 2.770 3.141 1.00 0.14 C ATOM 1490 C PHE A 94 -5.549 3.218 4.009 1.00 0.13 C ATOM 1491 O PHE A 94 -6.064 2.459 4.838 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.735 1.511 2.348 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.644 1.057 1.417 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.514 0.420 1.908 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.739 1.281 0.055 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.506 0.012 1.057 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.732 0.877 -0.800 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.613 0.243 -0.299 1.00 0.33 C ATOM 0 H PHE A 94 -3.160 1.558 4.333 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.140 3.569 2.437 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.966 0.706 3.045 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.639 1.702 1.770 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.421 0.241 2.969 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.611 1.778 -0.344 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.634 -0.488 1.453 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -2.820 1.057 -1.861 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.824 -0.071 -0.966 1.00 0.33 H new ATOM 1508 N ILE A 95 -5.969 4.454 3.806 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.051 5.048 4.571 1.00 0.17 C ATOM 1510 C ILE A 95 -8.214 5.376 3.657 1.00 0.18 C ATOM 1511 O ILE A 95 -8.158 6.335 2.892 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.592 6.341 5.286 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.502 6.029 6.308 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.769 7.039 5.959 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -5.964 5.110 7.413 1.00 1.16 C ATOM 0 H ILE A 95 -5.568 5.076 3.104 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.360 4.323 5.324 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.182 7.016 4.535 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.654 5.573 5.797 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.146 6.962 6.746 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.420 7.945 6.454 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.515 7.300 5.208 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.215 6.371 6.696 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -5.141 4.929 8.104 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.793 5.573 7.949 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.293 4.163 6.985 1.00 1.16 H new ATOM 1527 N SER A 96 -9.256 4.570 3.715 1.00 0.20 N ATOM 1528 CA SER A 96 -10.428 4.826 2.911 1.00 0.24 C ATOM 1529 C SER A 96 -11.211 5.983 3.503 1.00 0.28 C ATOM 1530 O SER A 96 -11.691 5.908 4.635 1.00 0.35 O ATOM 1531 CB SER A 96 -11.301 3.575 2.803 1.00 0.31 C ATOM 1532 OG SER A 96 -12.416 3.800 1.958 1.00 0.37 O ATOM 0 H SER A 96 -9.313 3.740 4.306 1.00 0.20 H new ATOM 0 HA SER A 96 -10.111 5.094 1.903 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.708 2.747 2.414 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.646 3.282 3.795 1.00 0.31 H new ATOM 0 HG SER A 96 -12.956 2.984 1.905 1.00 0.37 H new ATOM 1538 N THR A 97 -11.314 7.061 2.743 1.00 0.27 N ATOM 1539 CA THR A 97 -12.033 8.230 3.199 1.00 0.36 C ATOM 1540 C THR A 97 -13.491 8.150 2.753 1.00 0.48 C ATOM 1541 O THR A 97 -14.270 9.082 2.947 1.00 0.58 O ATOM 1542 CB THR A 97 -11.379 9.542 2.698 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.962 10.673 3.359 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.532 9.701 1.191 1.00 0.35 C ATOM 0 H THR A 97 -10.909 7.147 1.811 1.00 0.27 H new ATOM 0 HA THR A 97 -11.991 8.246 4.288 1.00 0.36 H new ATOM 0 HB THR A 97 -10.316 9.489 2.933 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.930 10.544 3.435 1.00 0.43 H new ATOM 0 HG21 THR A 97 -11.062 10.632 0.874 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.053 8.862 0.686 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.591 9.723 0.933 1.00 0.35 H new