USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=12 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 8 LYS NZ :NH3+ 153:sc= 1.62 (180deg=0.686) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0.357 USER MOD Single : A 6 CYS SG : rot 170:sc= -1.34 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= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.71! X(o=-1.7!,f=-1.4) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.0154 (180deg=-0.267) USER MOD Single : A 48 ASN : amide:sc= 0.348 K(o=0.35,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0.75 (180deg=0.736) USER MOD Single : A 59 GLN :FLIP amide:sc= -2.2! C(o=-4.2!,f=-2.2!) USER MOD Single : A 62 SER OG : rot -144:sc= 0.293 USER MOD Single : A 72 ASN : amide:sc= -0.817! X(o=-0.82!,f=-1) USER MOD Single : A 84 TYR OH : rot 101:sc= -1.18! USER MOD Single : A 85 GLN :FLIP amide:sc= -3.72! C(o=-6.2!,f=-3.7!) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.494 F(o=-3.7!,f=-0.49) USER MOD Single : A 89 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.18) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -44:sc= 0.0726 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.172 -2.562 3.596 1.00 0.43 N ATOM 49 CA LEU A 5 15.341 -1.941 4.624 1.00 0.45 C ATOM 50 C LEU A 5 14.019 -2.683 4.798 1.00 0.37 C ATOM 51 O LEU A 5 13.750 -3.673 4.116 1.00 0.42 O ATOM 52 CB LEU A 5 15.089 -0.455 4.296 1.00 0.52 C ATOM 53 CG LEU A 5 14.400 -0.146 2.956 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.938 -0.546 2.969 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.511 1.329 2.624 1.00 1.27 C ATOM 0 HA LEU A 5 15.883 -2.002 5.568 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.483 -0.029 5.095 1.00 0.52 H new ATOM 0 HB3 LEU A 5 16.048 0.063 4.312 1.00 0.52 H new ATOM 0 HG LEU A 5 14.912 -0.733 2.193 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.488 -0.311 2.004 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.855 -1.616 3.157 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.418 0.002 3.755 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.017 1.526 1.672 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.033 1.916 3.409 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.562 1.608 2.552 1.00 1.27 H new ATOM 67 N CYS A 6 13.192 -2.194 5.710 1.00 0.34 N ATOM 68 CA CYS A 6 11.867 -2.748 5.912 1.00 0.31 C ATOM 69 C CYS A 6 10.798 -1.667 5.774 1.00 0.24 C ATOM 70 O CYS A 6 10.854 -0.636 6.449 1.00 0.27 O ATOM 71 CB CYS A 6 11.769 -3.403 7.290 1.00 0.40 C ATOM 72 SG CYS A 6 10.144 -4.104 7.657 1.00 1.35 S ATOM 0 H CYS A 6 13.419 -1.411 6.323 1.00 0.34 H new ATOM 0 HA CYS A 6 11.697 -3.504 5.145 1.00 0.31 H new ATOM 0 HB2 CYS A 6 12.518 -4.192 7.360 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.014 -2.662 8.051 1.00 0.40 H new ATOM 0 HG CYS A 6 10.214 -4.817 8.742 1.00 1.35 H new ATOM 78 N VAL A 7 9.845 -1.897 4.877 1.00 0.24 N ATOM 79 CA VAL A 7 8.677 -1.029 4.755 1.00 0.25 C ATOM 80 C VAL A 7 7.435 -1.746 5.296 1.00 0.25 C ATOM 81 O VAL A 7 7.395 -2.980 5.342 1.00 0.31 O ATOM 82 CB VAL A 7 8.449 -0.598 3.287 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.677 0.111 2.749 1.00 0.64 C ATOM 84 CG2 VAL A 7 8.094 -1.786 2.410 1.00 0.61 C ATOM 0 H VAL A 7 9.858 -2.679 4.222 1.00 0.24 H new ATOM 0 HA VAL A 7 8.858 -0.130 5.343 1.00 0.25 H new ATOM 0 HB VAL A 7 7.606 0.093 3.267 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.502 0.408 1.715 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.879 0.996 3.352 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.534 -0.561 2.793 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.940 -1.449 1.385 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.906 -2.512 2.435 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.180 -2.251 2.780 1.00 0.61 H new ATOM 94 N LYS A 8 6.437 -0.983 5.728 1.00 0.26 N ATOM 95 CA LYS A 8 5.249 -1.561 6.348 1.00 0.28 C ATOM 96 C LYS A 8 3.986 -1.199 5.576 1.00 0.28 C ATOM 97 O LYS A 8 3.778 -0.046 5.210 1.00 0.38 O ATOM 98 CB LYS A 8 5.095 -1.072 7.792 1.00 0.35 C ATOM 99 CG LYS A 8 3.925 -1.719 8.521 1.00 0.61 C ATOM 100 CD LYS A 8 3.475 -0.900 9.720 1.00 0.86 C ATOM 101 CE LYS A 8 2.827 0.409 9.294 1.00 1.08 C ATOM 102 NZ LYS A 8 2.298 1.175 10.453 1.00 1.61 N ATOM 0 H LYS A 8 6.426 0.035 5.661 1.00 0.26 H new ATOM 0 HA LYS A 8 5.380 -2.643 6.336 1.00 0.28 H new ATOM 0 HB2 LYS A 8 6.015 -1.278 8.339 1.00 0.35 H new ATOM 0 HB3 LYS A 8 4.961 0.010 7.790 1.00 0.35 H new ATOM 0 HG2 LYS A 8 3.090 -1.839 7.831 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.212 -2.717 8.851 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.768 -1.480 10.313 1.00 0.86 H new ATOM 0 HD3 LYS A 8 4.332 -0.691 10.360 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.557 1.018 8.761 1.00 1.08 H new ATOM 0 HE3 LYS A 8 2.015 0.201 8.597 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 2.291 2.190 10.224 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.329 0.861 10.664 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 2.903 1.011 11.283 1.00 1.61 H new ATOM 116 N VAL A 9 3.143 -2.195 5.354 1.00 0.25 N ATOM 117 CA VAL A 9 1.841 -1.994 4.735 1.00 0.26 C ATOM 118 C VAL A 9 0.751 -2.328 5.748 1.00 0.23 C ATOM 119 O VAL A 9 0.754 -3.419 6.305 1.00 0.27 O ATOM 120 CB VAL A 9 1.676 -2.895 3.495 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.276 -2.769 2.927 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.722 -2.552 2.445 1.00 0.77 C ATOM 0 H VAL A 9 3.341 -3.165 5.597 1.00 0.25 H new ATOM 0 HA VAL A 9 1.761 -0.954 4.420 1.00 0.26 H new ATOM 0 HB VAL A 9 1.826 -3.931 3.797 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.179 -3.412 2.052 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.451 -3.070 3.681 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.092 -1.734 2.638 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.591 -3.197 1.577 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.607 -1.511 2.144 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.718 -2.702 2.861 1.00 0.77 H new ATOM 132 N GLU A 10 -0.163 -1.402 6.009 1.00 0.21 N ATOM 133 CA GLU A 10 -1.169 -1.627 7.041 1.00 0.23 C ATOM 134 C GLU A 10 -2.518 -0.999 6.673 1.00 0.25 C ATOM 135 O GLU A 10 -2.594 -0.104 5.825 1.00 0.26 O ATOM 136 CB GLU A 10 -0.648 -1.071 8.369 1.00 0.28 C ATOM 137 CG GLU A 10 -1.482 -1.426 9.587 1.00 0.37 C ATOM 138 CD GLU A 10 -0.844 -0.926 10.863 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.318 0.206 10.871 1.00 1.08 O ATOM 140 OE2 GLU A 10 -0.889 -1.654 11.876 1.00 0.99 O ATOM 0 H GLU A 10 -0.230 -0.504 5.531 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.342 -2.699 7.134 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.367 -1.436 8.524 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.589 0.015 8.292 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.478 -0.996 9.485 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.606 -2.508 9.641 1.00 0.37 H new ATOM 147 N PHE A 11 -3.576 -1.485 7.320 1.00 0.30 N ATOM 148 CA PHE A 11 -4.929 -0.986 7.104 1.00 0.34 C ATOM 149 C PHE A 11 -5.219 0.187 8.035 1.00 0.34 C ATOM 150 O PHE A 11 -4.567 0.346 9.068 1.00 0.74 O ATOM 151 CB PHE A 11 -5.968 -2.101 7.361 1.00 0.74 C ATOM 152 CG PHE A 11 -6.923 -1.795 8.494 1.00 2.12 C ATOM 153 CD1 PHE A 11 -6.550 -1.987 9.812 1.00 2.77 C ATOM 154 CD2 PHE A 11 -8.186 -1.290 8.237 1.00 2.89 C ATOM 155 CE1 PHE A 11 -7.420 -1.684 10.844 1.00 4.09 C ATOM 156 CE2 PHE A 11 -9.056 -0.986 9.263 1.00 4.21 C ATOM 157 CZ PHE A 11 -8.672 -1.183 10.569 1.00 4.80 C ATOM 0 H PHE A 11 -3.517 -2.236 8.008 1.00 0.30 H new ATOM 0 HA PHE A 11 -5.002 -0.656 6.068 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -6.542 -2.268 6.449 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -5.443 -3.030 7.581 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.569 -2.378 10.038 1.00 2.77 H new ATOM 0 HD2 PHE A 11 -8.496 -1.131 7.215 1.00 2.89 H new ATOM 0 HE1 PHE A 11 -7.116 -1.841 11.868 1.00 4.09 H new ATOM 0 HE2 PHE A 11 -10.038 -0.594 9.041 1.00 4.21 H new ATOM 0 HZ PHE A 11 -9.350 -0.946 11.375 1.00 4.80 H new ATOM 167 N GLY A 12 -6.204 0.996 7.668 1.00 0.23 N ATOM 168 CA GLY A 12 -6.716 1.993 8.584 1.00 0.39 C ATOM 169 C GLY A 12 -8.151 2.382 8.265 1.00 0.28 C ATOM 170 O GLY A 12 -9.010 2.370 9.141 1.00 0.34 O ATOM 0 H GLY A 12 -6.656 0.979 6.754 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.663 1.609 9.603 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.083 2.880 8.544 1.00 0.39 H new ATOM 174 N GLY A 13 -8.423 2.686 6.997 1.00 0.24 N ATOM 175 CA GLY A 13 -9.765 3.097 6.598 1.00 0.26 C ATOM 176 C GLY A 13 -10.710 1.926 6.387 1.00 0.29 C ATOM 177 O GLY A 13 -11.362 1.840 5.354 1.00 0.45 O ATOM 0 H GLY A 13 -7.742 2.656 6.239 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.178 3.756 7.361 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.702 3.676 5.677 1.00 0.26 H new ATOM 181 N GLY A 14 -10.784 1.024 7.359 1.00 0.28 N ATOM 182 CA GLY A 14 -11.641 -0.149 7.225 1.00 0.35 C ATOM 183 C GLY A 14 -11.130 -1.105 6.162 1.00 0.36 C ATOM 184 O GLY A 14 -11.847 -1.995 5.711 1.00 0.41 O ATOM 0 H GLY A 14 -10.269 1.080 8.237 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.699 -0.668 8.182 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.653 0.168 6.972 1.00 0.35 H new ATOM 188 N ALA A 15 -9.870 -0.923 5.790 1.00 0.35 N ATOM 189 CA ALA A 15 -9.254 -1.681 4.712 1.00 0.39 C ATOM 190 C ALA A 15 -9.126 -3.170 5.046 1.00 0.39 C ATOM 191 O ALA A 15 -9.204 -4.011 4.156 1.00 0.42 O ATOM 192 CB ALA A 15 -7.895 -1.080 4.376 1.00 0.44 C ATOM 0 H ALA A 15 -9.247 -0.245 6.228 1.00 0.35 H new ATOM 0 HA ALA A 15 -9.905 -1.614 3.841 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -7.435 -1.649 3.568 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.023 -0.044 4.063 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.253 -1.116 5.256 1.00 0.44 H new ATOM 198 N GLU A 16 -8.953 -3.498 6.327 1.00 0.38 N ATOM 199 CA GLU A 16 -8.794 -4.896 6.746 1.00 0.38 C ATOM 200 C GLU A 16 -10.032 -5.710 6.405 1.00 0.36 C ATOM 201 O GLU A 16 -9.949 -6.910 6.176 1.00 0.37 O ATOM 202 CB GLU A 16 -8.518 -5.013 8.246 1.00 0.45 C ATOM 203 CG GLU A 16 -9.666 -4.527 9.120 1.00 0.57 C ATOM 204 CD GLU A 16 -9.555 -4.988 10.557 1.00 1.19 C ATOM 205 OE1 GLU A 16 -10.009 -6.101 10.864 1.00 1.54 O ATOM 206 OE2 GLU A 16 -8.997 -4.242 11.386 1.00 1.60 O ATOM 0 H GLU A 16 -8.919 -2.822 7.090 1.00 0.38 H new ATOM 0 HA GLU A 16 -7.936 -5.290 6.201 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.305 -6.055 8.487 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.622 -4.441 8.487 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.697 -3.438 9.096 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.608 -4.882 8.703 1.00 0.57 H new ATOM 213 N LEU A 17 -11.176 -5.045 6.374 1.00 0.35 N ATOM 214 CA LEU A 17 -12.441 -5.703 6.085 1.00 0.37 C ATOM 215 C LEU A 17 -12.487 -6.177 4.638 1.00 0.36 C ATOM 216 O LEU A 17 -13.397 -6.900 4.242 1.00 0.41 O ATOM 217 CB LEU A 17 -13.601 -4.758 6.385 1.00 0.39 C ATOM 218 CG LEU A 17 -13.649 -4.259 7.831 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.749 -3.231 8.006 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.847 -5.423 8.795 1.00 0.83 C ATOM 0 H LEU A 17 -11.255 -4.043 6.547 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.532 -6.581 6.725 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.536 -3.898 5.718 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.537 -5.267 6.157 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.695 -3.783 8.059 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.766 -2.889 9.041 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.563 -2.383 7.347 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.710 -3.680 7.756 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.878 -5.047 9.818 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.784 -5.930 8.566 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -13.020 -6.126 8.692 1.00 0.83 H new ATOM 232 N LEU A 18 -11.509 -5.743 3.853 1.00 0.35 N ATOM 233 CA LEU A 18 -11.343 -6.217 2.488 1.00 0.39 C ATOM 234 C LEU A 18 -10.407 -7.418 2.482 1.00 0.42 C ATOM 235 O LEU A 18 -10.359 -8.184 1.521 1.00 0.49 O ATOM 236 CB LEU A 18 -10.739 -5.115 1.616 1.00 0.38 C ATOM 237 CG LEU A 18 -11.459 -3.764 1.661 1.00 0.42 C ATOM 238 CD1 LEU A 18 -10.544 -2.658 1.163 1.00 0.47 C ATOM 239 CD2 LEU A 18 -12.725 -3.809 0.821 1.00 0.49 C ATOM 0 H LEU A 18 -10.813 -5.056 4.144 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.319 -6.498 2.091 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -9.703 -4.964 1.919 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -10.722 -5.463 0.583 1.00 0.38 H new ATOM 0 HG LEU A 18 -11.731 -3.555 2.696 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.071 -1.705 1.202 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -9.657 -2.608 1.794 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.247 -2.867 0.135 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.225 -2.841 0.864 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.468 -4.039 -0.213 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.392 -4.579 1.209 1.00 0.49 H new ATOM 251 N PHE A 19 -9.662 -7.571 3.575 1.00 0.39 N ATOM 252 CA PHE A 19 -8.599 -8.568 3.661 1.00 0.47 C ATOM 253 C PHE A 19 -8.949 -9.662 4.665 1.00 0.60 C ATOM 254 O PHE A 19 -8.074 -10.408 5.103 1.00 0.97 O ATOM 255 CB PHE A 19 -7.289 -7.900 4.093 1.00 0.45 C ATOM 256 CG PHE A 19 -6.964 -6.627 3.355 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.242 -6.507 2.003 1.00 0.42 C ATOM 258 CD2 PHE A 19 -6.379 -5.556 4.010 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.945 -5.341 1.321 1.00 0.52 C ATOM 260 CE2 PHE A 19 -6.081 -4.394 3.338 1.00 0.75 C ATOM 261 CZ PHE A 19 -6.365 -4.277 2.000 1.00 0.59 C ATOM 0 H PHE A 19 -9.777 -7.011 4.420 1.00 0.39 H new ATOM 0 HA PHE A 19 -8.484 -9.018 2.675 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.341 -7.683 5.160 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.471 -8.607 3.951 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.696 -7.333 1.476 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -6.154 -5.635 5.063 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -7.163 -5.258 0.266 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -5.622 -3.570 3.865 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.138 -3.360 1.477 1.00 0.59 H new ATOM 271 N ASP A 20 -10.227 -9.738 5.027 1.00 0.55 N ATOM 272 CA ASP A 20 -10.729 -10.710 6.007 1.00 0.69 C ATOM 273 C ASP A 20 -10.203 -10.403 7.414 1.00 0.72 C ATOM 274 O ASP A 20 -10.274 -11.238 8.317 1.00 1.07 O ATOM 275 CB ASP A 20 -10.366 -12.145 5.591 1.00 0.80 C ATOM 276 CG ASP A 20 -11.247 -13.192 6.247 1.00 1.16 C ATOM 277 OD1 ASP A 20 -12.443 -13.266 5.896 1.00 1.55 O ATOM 278 OD2 ASP A 20 -10.748 -13.960 7.099 1.00 1.28 O ATOM 0 H ASP A 20 -10.951 -9.126 4.650 1.00 0.55 H new ATOM 0 HA ASP A 20 -11.815 -10.626 6.031 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -10.448 -12.235 4.508 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.325 -12.340 5.849 1.00 0.80 H new ATOM 283 N GLY A 21 -9.704 -9.186 7.601 1.00 0.57 N ATOM 284 CA GLY A 21 -9.237 -8.760 8.909 1.00 0.59 C ATOM 285 C GLY A 21 -7.726 -8.635 8.996 1.00 0.59 C ATOM 286 O GLY A 21 -7.182 -8.431 10.080 1.00 0.79 O ATOM 0 H GLY A 21 -9.614 -8.483 6.867 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.689 -7.799 9.153 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -9.579 -9.473 9.659 1.00 0.59 H new ATOM 290 N VAL A 22 -7.039 -8.758 7.868 1.00 0.51 N ATOM 291 CA VAL A 22 -5.592 -8.557 7.847 1.00 0.53 C ATOM 292 C VAL A 22 -5.277 -7.067 7.871 1.00 0.45 C ATOM 293 O VAL A 22 -5.801 -6.301 7.062 1.00 0.47 O ATOM 294 CB VAL A 22 -4.933 -9.207 6.614 1.00 0.68 C ATOM 295 CG1 VAL A 22 -3.423 -8.991 6.627 1.00 1.02 C ATOM 296 CG2 VAL A 22 -5.262 -10.690 6.562 1.00 1.41 C ATOM 0 H VAL A 22 -7.452 -8.993 6.965 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.182 -9.040 8.734 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.333 -8.730 5.719 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -2.981 -9.459 5.747 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -3.208 -7.922 6.616 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -2.999 -9.437 7.527 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -4.791 -11.137 5.687 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -4.889 -11.177 7.463 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -6.342 -10.821 6.499 1.00 1.41 H new ATOM 306 N LYS A 23 -4.434 -6.658 8.808 1.00 0.48 N ATOM 307 CA LYS A 23 -4.149 -5.248 9.005 1.00 0.52 C ATOM 308 C LYS A 23 -2.713 -4.910 8.616 1.00 0.40 C ATOM 309 O LYS A 23 -2.464 -4.389 7.531 1.00 0.37 O ATOM 310 CB LYS A 23 -4.416 -4.874 10.464 1.00 0.75 C ATOM 311 CG LYS A 23 -5.841 -5.170 10.900 1.00 0.85 C ATOM 312 CD LYS A 23 -6.067 -4.888 12.378 1.00 1.06 C ATOM 313 CE LYS A 23 -5.691 -3.460 12.754 1.00 1.11 C ATOM 314 NZ LYS A 23 -6.241 -3.073 14.081 1.00 2.07 N ATOM 0 H LYS A 23 -3.937 -7.283 9.442 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.805 -4.667 8.357 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -3.724 -5.420 11.106 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.212 -3.813 10.605 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.531 -4.568 10.309 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -6.071 -6.215 10.693 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -7.114 -5.063 12.624 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -5.479 -5.586 12.974 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.605 -3.362 12.768 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -6.063 -2.774 11.993 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -5.963 -2.095 14.300 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -7.279 -3.142 14.060 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -5.866 -3.711 14.812 1.00 2.07 H new ATOM 328 N LYS A 24 -1.775 -5.209 9.501 1.00 0.38 N ATOM 329 CA LYS A 24 -0.371 -4.917 9.264 1.00 0.33 C ATOM 330 C LYS A 24 0.337 -6.073 8.572 1.00 0.34 C ATOM 331 O LYS A 24 0.351 -7.202 9.062 1.00 0.47 O ATOM 332 CB LYS A 24 0.340 -4.598 10.581 1.00 0.43 C ATOM 333 CG LYS A 24 1.835 -4.368 10.424 1.00 0.49 C ATOM 334 CD LYS A 24 2.515 -4.157 11.765 1.00 0.66 C ATOM 335 CE LYS A 24 4.022 -4.045 11.606 1.00 1.04 C ATOM 336 NZ LYS A 24 4.708 -3.842 12.908 1.00 1.59 N ATOM 0 H LYS A 24 -1.964 -5.658 10.397 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.329 -4.048 8.607 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.112 -3.710 11.022 1.00 0.43 H new ATOM 0 HB3 LYS A 24 0.178 -5.419 11.280 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.284 -5.224 9.919 1.00 0.49 H new ATOM 0 HG3 LYS A 24 2.005 -3.498 9.789 1.00 0.49 H new ATOM 0 HD2 LYS A 24 2.128 -3.252 12.233 1.00 0.66 H new ATOM 0 HD3 LYS A 24 2.278 -4.987 12.431 1.00 0.66 H new ATOM 0 HE2 LYS A 24 4.404 -4.949 11.133 1.00 1.04 H new ATOM 0 HE3 LYS A 24 4.255 -3.214 10.941 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.734 -3.771 12.753 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 4.363 -2.966 13.349 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 4.508 -4.647 13.535 1.00 1.59 H new ATOM 350 N HIS A 25 0.926 -5.769 7.432 1.00 0.29 N ATOM 351 CA HIS A 25 1.768 -6.703 6.714 1.00 0.34 C ATOM 352 C HIS A 25 3.171 -6.119 6.579 1.00 0.34 C ATOM 353 O HIS A 25 3.366 -5.094 5.922 1.00 0.43 O ATOM 354 CB HIS A 25 1.178 -6.989 5.330 1.00 0.42 C ATOM 355 CG HIS A 25 2.067 -7.814 4.447 1.00 0.69 C ATOM 356 ND1 HIS A 25 2.838 -7.273 3.440 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.315 -9.144 4.431 1.00 1.39 C ATOM 358 CE1 HIS A 25 3.517 -8.235 2.844 1.00 1.58 C ATOM 359 NE2 HIS A 25 3.219 -9.378 3.427 1.00 1.44 N ATOM 0 H HIS A 25 0.833 -4.861 6.976 1.00 0.29 H new ATOM 0 HA HIS A 25 1.821 -7.641 7.267 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.225 -7.504 5.452 1.00 0.42 H new ATOM 0 HB3 HIS A 25 0.967 -6.042 4.833 1.00 0.42 H new ATOM 0 HD2 HIS A 25 1.881 -9.884 5.087 1.00 1.39 H new ATOM 0 HE1 HIS A 25 4.201 -8.107 2.018 1.00 1.58 H new ATOM 0 HE2 HIS A 25 3.599 -10.290 3.173 1.00 1.44 H new ATOM 368 N GLN A 26 4.136 -6.766 7.200 1.00 0.36 N ATOM 369 CA GLN A 26 5.515 -6.320 7.129 1.00 0.38 C ATOM 370 C GLN A 26 6.217 -6.992 5.959 1.00 0.33 C ATOM 371 O GLN A 26 6.127 -8.208 5.791 1.00 0.47 O ATOM 372 CB GLN A 26 6.250 -6.639 8.435 1.00 0.54 C ATOM 373 CG GLN A 26 7.736 -6.323 8.385 1.00 0.67 C ATOM 374 CD GLN A 26 8.473 -6.709 9.651 1.00 1.12 C ATOM 375 OE1 GLN A 26 8.946 -7.838 9.787 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.592 -5.771 10.580 1.00 1.59 N ATOM 0 H GLN A 26 3.991 -7.605 7.762 1.00 0.36 H new ATOM 0 HA GLN A 26 5.525 -5.240 6.980 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.793 -6.074 9.247 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.119 -7.696 8.668 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.183 -6.845 7.539 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.868 -5.256 8.207 1.00 0.67 H new ATOM 0 HE21 GLN A 26 8.185 -4.848 10.428 1.00 1.59 H new ATOM 0 HE22 GLN A 26 9.090 -5.972 11.447 1.00 1.59 H new ATOM 385 N VAL A 27 6.894 -6.205 5.138 1.00 0.29 N ATOM 386 CA VAL A 27 7.671 -6.754 4.043 1.00 0.29 C ATOM 387 C VAL A 27 9.101 -6.214 4.088 1.00 0.28 C ATOM 388 O VAL A 27 9.331 -5.002 4.106 1.00 0.31 O ATOM 389 CB VAL A 27 7.012 -6.477 2.665 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.818 -4.987 2.421 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.824 -7.107 1.543 1.00 0.44 C ATOM 0 H VAL A 27 6.920 -5.188 5.210 1.00 0.29 H new ATOM 0 HA VAL A 27 7.701 -7.837 4.166 1.00 0.29 H new ATOM 0 HB VAL A 27 6.024 -6.937 2.677 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.354 -4.835 1.446 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.175 -4.572 3.197 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.785 -4.485 2.444 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.344 -6.901 0.586 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.830 -6.688 1.542 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.880 -8.185 1.696 1.00 0.44 H new ATOM 401 N ALA A 28 10.056 -7.126 4.150 1.00 0.31 N ATOM 402 CA ALA A 28 11.455 -6.758 4.217 1.00 0.33 C ATOM 403 C ALA A 28 12.051 -6.741 2.821 1.00 0.28 C ATOM 404 O ALA A 28 11.961 -7.725 2.085 1.00 0.29 O ATOM 405 CB ALA A 28 12.215 -7.717 5.121 1.00 0.41 C ATOM 0 H ALA A 28 9.884 -8.131 4.155 1.00 0.31 H new ATOM 0 HA ALA A 28 11.540 -5.758 4.643 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.265 -7.426 5.160 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.792 -7.683 6.125 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.134 -8.730 4.727 1.00 0.41 H new ATOM 411 N LEU A 29 12.659 -5.626 2.464 1.00 0.28 N ATOM 412 CA LEU A 29 13.186 -5.437 1.125 1.00 0.28 C ATOM 413 C LEU A 29 14.331 -6.415 0.855 1.00 0.32 C ATOM 414 O LEU A 29 15.187 -6.637 1.713 1.00 0.36 O ATOM 415 CB LEU A 29 13.619 -3.977 0.937 1.00 0.35 C ATOM 416 CG LEU A 29 12.506 -3.006 0.495 1.00 0.38 C ATOM 417 CD1 LEU A 29 12.266 -3.131 -0.998 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.213 -3.261 1.259 1.00 1.04 C ATOM 0 H LEU A 29 12.801 -4.831 3.088 1.00 0.28 H new ATOM 0 HA LEU A 29 12.405 -5.650 0.395 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.039 -3.617 1.876 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.419 -3.946 0.197 1.00 0.35 H new ATOM 0 HG LEU A 29 12.835 -1.992 0.721 1.00 0.38 H new ATOM 0 HD11 LEU A 29 11.478 -2.441 -1.299 1.00 1.13 H new ATOM 0 HD12 LEU A 29 13.183 -2.891 -1.535 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.964 -4.151 -1.234 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.448 -2.560 0.924 1.00 1.04 H new ATOM 0 HD22 LEU A 29 10.876 -4.281 1.074 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.388 -3.125 2.326 1.00 1.04 H new ATOM 430 N PRO A 30 14.329 -7.028 -0.341 1.00 0.38 N ATOM 431 CA PRO A 30 15.243 -8.128 -0.713 1.00 0.53 C ATOM 432 C PRO A 30 16.728 -7.782 -0.618 1.00 0.76 C ATOM 433 O PRO A 30 17.575 -8.671 -0.541 1.00 1.64 O ATOM 434 CB PRO A 30 14.878 -8.397 -2.177 1.00 0.52 C ATOM 435 CG PRO A 30 13.478 -7.930 -2.301 1.00 0.51 C ATOM 436 CD PRO A 30 13.405 -6.706 -1.441 1.00 0.41 C ATOM 0 HA PRO A 30 15.121 -8.971 -0.033 1.00 0.53 H new ATOM 0 HB2 PRO A 30 15.538 -7.858 -2.856 1.00 0.52 H new ATOM 0 HB3 PRO A 30 14.966 -9.456 -2.420 1.00 0.52 H new ATOM 0 HG2 PRO A 30 13.228 -7.701 -3.337 1.00 0.51 H new ATOM 0 HG3 PRO A 30 12.775 -8.692 -1.964 1.00 0.51 H new ATOM 0 HD2 PRO A 30 13.715 -5.812 -1.982 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.393 -6.525 -1.080 1.00 0.41 H new ATOM 483 N GLU A 34 14.962 -2.635 -5.330 1.00 0.54 N ATOM 484 CA GLU A 34 13.647 -2.166 -4.868 1.00 0.56 C ATOM 485 C GLU A 34 12.501 -2.615 -5.778 1.00 0.48 C ATOM 486 O GLU A 34 11.994 -1.830 -6.579 1.00 0.58 O ATOM 487 CB GLU A 34 13.659 -0.636 -4.774 1.00 0.72 C ATOM 488 CG GLU A 34 15.023 -0.070 -4.417 1.00 0.96 C ATOM 489 CD GLU A 34 15.147 1.406 -4.716 1.00 1.55 C ATOM 490 OE1 GLU A 34 15.549 1.760 -5.843 1.00 2.31 O ATOM 491 OE2 GLU A 34 14.867 2.220 -3.820 1.00 1.97 O ATOM 0 HA GLU A 34 13.470 -2.612 -3.889 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.337 -0.217 -5.727 1.00 0.72 H new ATOM 0 HB3 GLU A 34 12.933 -0.319 -4.025 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.213 -0.237 -3.357 1.00 0.96 H new ATOM 0 HG3 GLU A 34 15.791 -0.612 -4.968 1.00 0.96 H new ATOM 498 N PRO A 35 12.065 -3.877 -5.673 1.00 0.41 N ATOM 499 CA PRO A 35 10.963 -4.384 -6.474 1.00 0.40 C ATOM 500 C PRO A 35 9.637 -4.247 -5.741 1.00 0.35 C ATOM 501 O PRO A 35 8.600 -4.733 -6.195 1.00 0.39 O ATOM 502 CB PRO A 35 11.339 -5.851 -6.639 1.00 0.48 C ATOM 503 CG PRO A 35 12.062 -6.210 -5.376 1.00 0.50 C ATOM 504 CD PRO A 35 12.593 -4.924 -4.779 1.00 0.46 C ATOM 0 HA PRO A 35 10.827 -3.851 -7.415 1.00 0.40 H new ATOM 0 HB2 PRO A 35 10.454 -6.472 -6.778 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.973 -6.000 -7.513 1.00 0.48 H new ATOM 0 HG2 PRO A 35 11.390 -6.709 -4.678 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.878 -6.903 -5.584 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.248 -4.786 -3.754 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.683 -4.915 -4.752 1.00 0.46 H new ATOM 512 N TRP A 36 9.685 -3.577 -4.596 1.00 0.30 N ATOM 513 CA TRP A 36 8.547 -3.492 -3.702 1.00 0.27 C ATOM 514 C TRP A 36 7.881 -2.125 -3.752 1.00 0.24 C ATOM 515 O TRP A 36 7.390 -1.649 -2.728 1.00 0.25 O ATOM 516 CB TRP A 36 8.991 -3.786 -2.264 1.00 0.28 C ATOM 517 CG TRP A 36 9.317 -5.235 -1.987 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.105 -5.704 -0.977 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.865 -6.397 -2.705 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.164 -7.075 -1.013 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.414 -7.524 -2.065 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.053 -6.596 -3.823 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.173 -8.824 -2.501 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.814 -7.885 -4.256 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.371 -8.983 -3.596 1.00 0.42 C ATOM 0 H TRP A 36 10.513 -3.081 -4.266 1.00 0.30 H new ATOM 0 HA TRP A 36 7.819 -4.233 -4.032 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.869 -3.181 -2.039 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.202 -3.469 -1.583 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.611 -5.084 -0.252 1.00 0.32 H new ATOM 0 HE1 TRP A 36 10.683 -7.663 -0.361 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.618 -5.754 -4.341 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.603 -9.674 -1.993 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.186 -8.047 -5.119 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.163 -9.979 -3.959 1.00 0.42 H new ATOM 536 N ASP A 37 7.843 -1.494 -4.927 1.00 0.24 N ATOM 537 CA ASP A 37 7.192 -0.198 -5.061 1.00 0.21 C ATOM 538 C ASP A 37 5.743 -0.277 -4.611 1.00 0.21 C ATOM 539 O ASP A 37 5.152 -1.361 -4.547 1.00 0.24 O ATOM 540 CB ASP A 37 7.225 0.306 -6.501 1.00 0.25 C ATOM 541 CG ASP A 37 7.036 -0.798 -7.512 1.00 0.82 C ATOM 542 OD1 ASP A 37 5.884 -1.228 -7.711 1.00 1.59 O ATOM 543 OD2 ASP A 37 8.040 -1.255 -8.097 1.00 1.21 O ATOM 0 H ASP A 37 8.251 -1.857 -5.788 1.00 0.24 H new ATOM 0 HA ASP A 37 7.744 0.498 -4.429 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.444 1.054 -6.637 1.00 0.25 H new ATOM 0 HB3 ASP A 37 8.178 0.802 -6.686 1.00 0.25 H new ATOM 548 N ILE A 38 5.171 0.881 -4.330 1.00 0.20 N ATOM 549 CA ILE A 38 3.783 0.963 -3.873 1.00 0.20 C ATOM 550 C ILE A 38 2.852 0.319 -4.906 1.00 0.20 C ATOM 551 O ILE A 38 1.831 -0.276 -4.563 1.00 0.23 O ATOM 552 CB ILE A 38 3.351 2.431 -3.631 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.433 3.190 -2.845 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.018 2.482 -2.891 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.719 2.641 -1.461 1.00 0.24 C ATOM 0 H ILE A 38 5.642 1.782 -4.409 1.00 0.20 H new ATOM 0 HA ILE A 38 3.712 0.426 -2.927 1.00 0.20 H new ATOM 0 HB ILE A 38 3.226 2.916 -4.599 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.357 3.178 -3.423 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.129 4.233 -2.751 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.731 3.521 -2.730 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.253 1.982 -3.485 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.117 1.980 -1.929 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.495 3.241 -0.985 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.811 2.679 -0.860 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.058 1.608 -1.542 1.00 0.24 H new ATOM 567 N ARG A 39 3.251 0.424 -6.168 1.00 0.19 N ATOM 568 CA ARG A 39 2.518 -0.152 -7.290 1.00 0.20 C ATOM 569 C ARG A 39 2.413 -1.678 -7.163 1.00 0.19 C ATOM 570 O ARG A 39 1.321 -2.241 -7.249 1.00 0.25 O ATOM 571 CB ARG A 39 3.232 0.258 -8.590 1.00 0.31 C ATOM 572 CG ARG A 39 2.699 -0.372 -9.870 1.00 0.99 C ATOM 573 CD ARG A 39 3.309 -1.744 -10.129 1.00 1.11 C ATOM 574 NE ARG A 39 3.160 -2.149 -11.529 1.00 1.63 N ATOM 575 CZ ARG A 39 3.622 -3.291 -12.037 1.00 2.06 C ATOM 576 NH1 ARG A 39 4.284 -4.148 -11.270 1.00 2.03 N ATOM 577 NH2 ARG A 39 3.440 -3.558 -13.323 1.00 2.62 N ATOM 0 H ARG A 39 4.101 0.916 -6.444 1.00 0.19 H new ATOM 0 HA ARG A 39 1.496 0.227 -7.298 1.00 0.20 H new ATOM 0 HB2 ARG A 39 3.171 1.342 -8.689 1.00 0.31 H new ATOM 0 HB3 ARG A 39 4.288 0.006 -8.496 1.00 0.31 H new ATOM 0 HG2 ARG A 39 1.615 -0.464 -9.804 1.00 0.99 H new ATOM 0 HG3 ARG A 39 2.913 0.285 -10.713 1.00 0.99 H new ATOM 0 HD2 ARG A 39 4.367 -1.727 -9.866 1.00 1.11 H new ATOM 0 HD3 ARG A 39 2.832 -2.482 -9.484 1.00 1.11 H new ATOM 0 HE ARG A 39 2.669 -1.513 -12.158 1.00 1.63 H new ATOM 0 HH11 ARG A 39 4.442 -3.934 -10.285 1.00 2.03 H new ATOM 0 HH12 ARG A 39 4.635 -5.020 -11.665 1.00 2.03 H new ATOM 0 HH21 ARG A 39 2.949 -2.891 -13.918 1.00 2.62 H new ATOM 0 HH22 ARG A 39 3.791 -4.431 -13.717 1.00 2.62 H new ATOM 591 N ASN A 40 3.547 -2.345 -6.958 1.00 0.17 N ATOM 592 CA ASN A 40 3.567 -3.805 -6.844 1.00 0.18 C ATOM 593 C ASN A 40 2.881 -4.270 -5.571 1.00 0.18 C ATOM 594 O ASN A 40 2.196 -5.294 -5.560 1.00 0.22 O ATOM 595 CB ASN A 40 4.997 -4.348 -6.878 1.00 0.22 C ATOM 596 CG ASN A 40 5.509 -4.569 -8.287 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.322 -5.640 -8.867 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.146 -3.561 -8.853 1.00 0.59 N ATOM 0 H ASN A 40 4.461 -1.902 -6.868 1.00 0.17 H new ATOM 0 HA ASN A 40 3.021 -4.196 -7.703 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.657 -3.651 -6.362 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.036 -5.290 -6.330 1.00 0.22 H new ATOM 0 HD21 ASN A 40 6.503 -3.653 -9.804 1.00 0.59 H new ATOM 0 HD22 ASN A 40 6.281 -2.690 -8.340 1.00 0.59 H new ATOM 605 N LEU A 41 3.062 -3.515 -4.502 1.00 0.18 N ATOM 606 CA LEU A 41 2.476 -3.867 -3.216 1.00 0.19 C ATOM 607 C LEU A 41 0.968 -3.733 -3.253 1.00 0.19 C ATOM 608 O LEU A 41 0.254 -4.475 -2.584 1.00 0.21 O ATOM 609 CB LEU A 41 3.072 -3.013 -2.101 1.00 0.21 C ATOM 610 CG LEU A 41 4.347 -3.589 -1.486 1.00 0.26 C ATOM 611 CD1 LEU A 41 4.013 -4.819 -0.660 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.347 -3.951 -2.574 1.00 0.29 C ATOM 0 H LEU A 41 3.609 -2.654 -4.496 1.00 0.18 H new ATOM 0 HA LEU A 41 2.714 -4.910 -3.009 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.288 -2.020 -2.495 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.327 -2.889 -1.315 1.00 0.21 H new ATOM 0 HG LEU A 41 4.794 -2.833 -0.840 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.927 -5.224 -0.225 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.322 -4.545 0.137 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.551 -5.572 -1.299 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.249 -4.360 -2.118 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.908 -4.695 -3.239 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.602 -3.059 -3.146 1.00 0.29 H new ATOM 624 N LEU A 42 0.497 -2.791 -4.046 1.00 0.19 N ATOM 625 CA LEU A 42 -0.920 -2.654 -4.319 1.00 0.23 C ATOM 626 C LEU A 42 -1.473 -3.954 -4.895 1.00 0.21 C ATOM 627 O LEU A 42 -2.537 -4.423 -4.500 1.00 0.26 O ATOM 628 CB LEU A 42 -1.118 -1.481 -5.283 1.00 0.30 C ATOM 629 CG LEU A 42 -2.477 -1.376 -5.967 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.782 0.073 -6.248 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.487 -2.155 -7.274 1.00 0.82 C ATOM 0 H LEU A 42 1.083 -2.102 -4.517 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.466 -2.451 -3.398 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.942 -0.556 -4.734 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.352 -1.544 -6.056 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.233 -1.798 -5.305 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.753 0.152 -6.737 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.801 0.629 -5.311 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -2.013 0.487 -6.900 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.467 -2.065 -7.744 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.726 -1.753 -7.943 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.276 -3.205 -7.073 1.00 0.82 H new ATOM 643 N VAL A 43 -0.716 -4.537 -5.809 1.00 0.20 N ATOM 644 CA VAL A 43 -1.085 -5.796 -6.438 1.00 0.22 C ATOM 645 C VAL A 43 -1.018 -6.924 -5.427 1.00 0.22 C ATOM 646 O VAL A 43 -1.890 -7.793 -5.394 1.00 0.24 O ATOM 647 CB VAL A 43 -0.144 -6.117 -7.612 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.497 -7.450 -8.240 1.00 0.31 C ATOM 649 CG2 VAL A 43 -0.177 -5.002 -8.643 1.00 0.32 C ATOM 0 H VAL A 43 0.170 -4.153 -6.136 1.00 0.20 H new ATOM 0 HA VAL A 43 -2.103 -5.698 -6.814 1.00 0.22 H new ATOM 0 HB VAL A 43 0.872 -6.191 -7.225 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.183 -7.654 -9.067 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.407 -8.239 -7.494 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.521 -7.417 -8.611 1.00 0.31 H new ATOM 0 HG21 VAL A 43 0.495 -5.247 -9.466 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -1.192 -4.889 -9.025 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.142 -4.068 -8.180 1.00 0.32 H new ATOM 659 N TRP A 44 0.024 -6.902 -4.607 1.00 0.23 N ATOM 660 CA TRP A 44 0.164 -7.867 -3.533 1.00 0.27 C ATOM 661 C TRP A 44 -1.068 -7.811 -2.639 1.00 0.28 C ATOM 662 O TRP A 44 -1.623 -8.840 -2.256 1.00 0.33 O ATOM 663 CB TRP A 44 1.428 -7.581 -2.710 1.00 0.31 C ATOM 664 CG TRP A 44 1.660 -8.562 -1.599 1.00 0.41 C ATOM 665 CD1 TRP A 44 1.013 -8.611 -0.396 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.619 -9.627 -1.581 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.493 -9.655 0.356 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.483 -10.291 -0.348 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.573 -10.086 -2.496 1.00 0.65 C ATOM 670 CZ2 TRP A 44 3.267 -11.391 -0.007 1.00 0.76 C ATOM 671 CZ3 TRP A 44 4.351 -11.176 -2.154 1.00 0.81 C ATOM 672 CH2 TRP A 44 4.193 -11.817 -0.919 1.00 0.85 C ATOM 0 H TRP A 44 0.784 -6.224 -4.668 1.00 0.23 H new ATOM 0 HA TRP A 44 0.256 -8.865 -3.963 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.292 -7.587 -3.374 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.357 -6.578 -2.288 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.237 -7.928 -0.083 1.00 0.45 H new ATOM 0 HE1 TRP A 44 1.166 -9.915 1.287 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.699 -9.598 -3.451 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 3.148 -11.890 0.944 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 5.092 -11.539 -2.850 1.00 0.81 H new ATOM 0 HH2 TRP A 44 4.816 -12.667 -0.681 1.00 0.85 H new ATOM 683 N ILE A 45 -1.498 -6.598 -2.328 1.00 0.26 N ATOM 684 CA ILE A 45 -2.683 -6.393 -1.516 1.00 0.29 C ATOM 685 C ILE A 45 -3.927 -6.857 -2.259 1.00 0.31 C ATOM 686 O ILE A 45 -4.764 -7.561 -1.709 1.00 0.37 O ATOM 687 CB ILE A 45 -2.838 -4.912 -1.127 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.725 -4.498 -0.166 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.200 -4.654 -0.505 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.732 -3.020 0.151 1.00 0.47 C ATOM 0 H ILE A 45 -1.040 -5.738 -2.628 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.567 -6.983 -0.607 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.761 -4.311 -2.033 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.825 -5.062 0.761 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.761 -4.766 -0.599 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.285 -3.600 -0.239 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.981 -4.912 -1.220 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.312 -5.265 0.391 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.917 -2.791 0.838 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.602 -2.450 -0.769 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.682 -2.751 0.613 1.00 0.47 H new ATOM 702 N LYS A 46 -4.029 -6.477 -3.518 1.00 0.29 N ATOM 703 CA LYS A 46 -5.181 -6.820 -4.323 1.00 0.35 C ATOM 704 C LYS A 46 -5.342 -8.332 -4.456 1.00 0.39 C ATOM 705 O LYS A 46 -6.389 -8.882 -4.120 1.00 0.44 O ATOM 706 CB LYS A 46 -5.073 -6.149 -5.692 1.00 0.39 C ATOM 707 CG LYS A 46 -5.491 -4.685 -5.671 1.00 0.91 C ATOM 708 CD LYS A 46 -5.656 -4.114 -7.071 1.00 0.91 C ATOM 709 CE LYS A 46 -6.697 -4.884 -7.866 1.00 1.26 C ATOM 710 NZ LYS A 46 -7.022 -4.226 -9.156 1.00 1.93 N ATOM 0 H LYS A 46 -3.322 -5.927 -4.006 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.076 -6.450 -3.822 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.045 -6.223 -6.047 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -5.696 -6.689 -6.405 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.430 -4.585 -5.127 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -4.745 -4.104 -5.129 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.948 -3.066 -7.006 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -4.700 -4.146 -7.594 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -6.331 -5.893 -8.057 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -7.605 -4.982 -7.272 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -7.736 -4.788 -9.662 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -7.396 -3.273 -8.975 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -6.162 -4.156 -9.736 1.00 1.93 H new ATOM 724 N LYS A 47 -4.298 -9.003 -4.903 1.00 0.41 N ATOM 725 CA LYS A 47 -4.373 -10.438 -5.154 1.00 0.52 C ATOM 726 C LYS A 47 -4.323 -11.260 -3.865 1.00 0.57 C ATOM 727 O LYS A 47 -5.145 -12.152 -3.662 1.00 0.78 O ATOM 728 CB LYS A 47 -3.247 -10.873 -6.092 1.00 0.65 C ATOM 729 CG LYS A 47 -3.345 -10.259 -7.476 1.00 1.31 C ATOM 730 CD LYS A 47 -2.232 -10.753 -8.385 1.00 1.66 C ATOM 731 CE LYS A 47 -2.384 -10.213 -9.797 1.00 2.33 C ATOM 732 NZ LYS A 47 -3.623 -10.708 -10.455 1.00 2.96 N ATOM 0 H LYS A 47 -3.389 -8.584 -5.101 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.337 -10.628 -5.625 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.289 -10.601 -5.649 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.259 -11.959 -6.183 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -4.311 -10.504 -7.916 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -3.297 -9.173 -7.397 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -1.267 -10.448 -7.980 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -2.237 -11.843 -8.409 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -2.400 -9.123 -9.768 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -1.518 -10.504 -10.391 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -3.566 -10.532 -11.478 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -3.723 -11.729 -10.284 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -4.447 -10.209 -10.063 1.00 2.96 H new ATOM 746 N ASN A 48 -3.372 -10.959 -2.993 1.00 0.50 N ATOM 747 CA ASN A 48 -3.135 -11.798 -1.818 1.00 0.58 C ATOM 748 C ASN A 48 -4.009 -11.405 -0.633 1.00 0.58 C ATOM 749 O ASN A 48 -4.305 -12.241 0.220 1.00 0.77 O ATOM 750 CB ASN A 48 -1.659 -11.761 -1.409 1.00 0.61 C ATOM 751 CG ASN A 48 -0.763 -12.530 -2.366 1.00 1.41 C ATOM 752 OD1 ASN A 48 -1.183 -13.516 -2.976 1.00 2.21 O ATOM 753 ND2 ASN A 48 0.477 -12.089 -2.504 1.00 2.09 N ATOM 0 H ASN A 48 -2.756 -10.150 -3.071 1.00 0.50 H new ATOM 0 HA ASN A 48 -3.406 -12.814 -2.105 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.326 -10.724 -1.361 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -1.554 -12.177 -0.407 1.00 0.61 H new ATOM 0 HD21 ASN A 48 1.122 -12.568 -3.132 1.00 2.09 H new ATOM 0 HD22 ASN A 48 0.788 -11.270 -1.982 1.00 2.09 H new ATOM 760 N LEU A 49 -4.426 -10.149 -0.566 1.00 0.42 N ATOM 761 CA LEU A 49 -5.214 -9.691 0.572 1.00 0.44 C ATOM 762 C LEU A 49 -6.684 -9.497 0.231 1.00 0.39 C ATOM 763 O LEU A 49 -7.547 -9.970 0.969 1.00 0.39 O ATOM 764 CB LEU A 49 -4.652 -8.391 1.149 1.00 0.50 C ATOM 765 CG LEU A 49 -3.434 -8.530 2.063 1.00 0.57 C ATOM 766 CD1 LEU A 49 -3.253 -7.256 2.868 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.571 -9.733 2.986 1.00 1.10 C ATOM 0 H LEU A 49 -4.237 -9.438 -1.273 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.145 -10.481 1.319 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -4.386 -7.735 0.320 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -5.445 -7.893 1.707 1.00 0.50 H new ATOM 0 HG LEU A 49 -2.552 -8.691 1.443 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -2.384 -7.357 3.519 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -3.103 -6.416 2.190 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -4.142 -7.079 3.474 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -2.690 -9.805 3.623 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -4.459 -9.616 3.607 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -3.662 -10.641 2.390 1.00 1.10 H new ATOM 779 N LEU A 50 -6.973 -8.817 -0.876 1.00 0.39 N ATOM 780 CA LEU A 50 -8.344 -8.443 -1.200 1.00 0.39 C ATOM 781 C LEU A 50 -9.180 -9.697 -1.436 1.00 0.41 C ATOM 782 O LEU A 50 -8.992 -10.412 -2.420 1.00 0.50 O ATOM 783 CB LEU A 50 -8.370 -7.527 -2.431 1.00 0.47 C ATOM 784 CG LEU A 50 -9.368 -6.366 -2.384 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.767 -6.853 -2.071 1.00 0.51 C ATOM 786 CD2 LEU A 50 -8.927 -5.330 -1.371 1.00 0.62 C ATOM 0 H LEU A 50 -6.279 -8.516 -1.560 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.773 -7.893 -0.362 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.371 -7.115 -2.574 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -8.592 -8.136 -3.307 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.390 -5.904 -3.371 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.450 -6.004 -2.045 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.089 -7.555 -2.841 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.770 -7.351 -1.102 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -9.647 -4.512 -1.350 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -8.870 -5.788 -0.384 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -7.947 -4.943 -1.649 1.00 0.62 H new ATOM 798 N LYS A 51 -10.073 -9.970 -0.499 1.00 0.40 N ATOM 799 CA LYS A 51 -10.889 -11.171 -0.530 1.00 0.47 C ATOM 800 C LYS A 51 -12.189 -10.942 -1.285 1.00 0.52 C ATOM 801 O LYS A 51 -12.789 -11.881 -1.803 1.00 0.63 O ATOM 802 CB LYS A 51 -11.173 -11.616 0.902 1.00 0.52 C ATOM 803 CG LYS A 51 -9.915 -11.991 1.663 1.00 0.57 C ATOM 804 CD LYS A 51 -9.360 -13.322 1.182 1.00 1.08 C ATOM 805 CE LYS A 51 -8.000 -13.612 1.787 1.00 1.81 C ATOM 806 NZ LYS A 51 -6.961 -12.685 1.272 1.00 2.26 N ATOM 0 H LYS A 51 -10.252 -9.366 0.303 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.343 -11.953 -1.058 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -11.687 -10.814 1.432 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -11.850 -12.470 0.884 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.163 -11.212 1.535 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.135 -12.049 2.729 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -10.053 -14.122 1.444 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -9.281 -13.312 0.095 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -8.059 -13.526 2.872 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -7.714 -14.640 1.563 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -6.033 -12.956 1.655 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -6.935 -12.735 0.234 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -7.186 -11.713 1.566 1.00 2.26 H new ATOM 820 N GLU A 52 -12.621 -9.693 -1.346 1.00 0.52 N ATOM 821 CA GLU A 52 -13.827 -9.345 -2.077 1.00 0.59 C ATOM 822 C GLU A 52 -13.469 -8.690 -3.408 1.00 0.58 C ATOM 823 O GLU A 52 -12.337 -8.809 -3.876 1.00 0.72 O ATOM 824 CB GLU A 52 -14.722 -8.426 -1.238 1.00 0.66 C ATOM 825 CG GLU A 52 -14.030 -7.182 -0.699 1.00 0.64 C ATOM 826 CD GLU A 52 -14.993 -6.288 0.056 1.00 0.90 C ATOM 827 OE1 GLU A 52 -15.168 -6.483 1.280 1.00 1.16 O ATOM 828 OE2 GLU A 52 -15.602 -5.402 -0.575 1.00 1.15 O ATOM 0 H GLU A 52 -12.154 -8.904 -0.898 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.384 -10.259 -2.284 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -15.573 -8.117 -1.845 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.120 -8.996 -0.399 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.214 -7.477 -0.040 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -13.588 -6.625 -1.525 1.00 0.64 H new ATOM 835 N ARG A 53 -14.436 -8.018 -4.019 1.00 0.65 N ATOM 836 CA ARG A 53 -14.214 -7.347 -5.295 1.00 0.68 C ATOM 837 C ARG A 53 -13.311 -6.131 -5.131 1.00 0.59 C ATOM 838 O ARG A 53 -13.638 -5.198 -4.393 1.00 0.65 O ATOM 839 CB ARG A 53 -15.539 -6.907 -5.915 1.00 0.87 C ATOM 840 CG ARG A 53 -16.426 -8.050 -6.364 1.00 1.34 C ATOM 841 CD ARG A 53 -17.688 -7.520 -7.016 1.00 1.78 C ATOM 842 NE ARG A 53 -18.509 -8.580 -7.581 1.00 2.46 N ATOM 843 CZ ARG A 53 -19.187 -8.459 -8.720 1.00 3.32 C ATOM 844 NH1 ARG A 53 -19.078 -7.355 -9.454 1.00 3.80 N ATOM 845 NH2 ARG A 53 -19.949 -9.454 -9.143 1.00 4.10 N ATOM 0 H ARG A 53 -15.383 -7.923 -3.652 1.00 0.65 H new ATOM 0 HA ARG A 53 -13.725 -8.064 -5.955 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.084 -6.303 -5.189 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.331 -6.266 -6.771 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -15.885 -8.683 -7.067 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -16.686 -8.674 -5.509 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -18.270 -6.968 -6.278 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -17.419 -6.815 -7.802 1.00 1.78 H new ATOM 0 HE ARG A 53 -18.568 -9.465 -7.076 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -18.472 -6.595 -9.145 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -19.600 -7.269 -10.326 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -20.016 -10.313 -8.597 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -20.469 -9.363 -10.016 1.00 4.10 H new ATOM 859 N PRO A 54 -12.169 -6.119 -5.834 1.00 0.55 N ATOM 860 CA PRO A 54 -11.216 -5.003 -5.798 1.00 0.53 C ATOM 861 C PRO A 54 -11.758 -3.745 -6.475 1.00 0.57 C ATOM 862 O PRO A 54 -11.142 -2.684 -6.419 1.00 0.59 O ATOM 863 CB PRO A 54 -10.004 -5.528 -6.575 1.00 0.61 C ATOM 864 CG PRO A 54 -10.208 -7.001 -6.684 1.00 0.68 C ATOM 865 CD PRO A 54 -11.693 -7.204 -6.704 1.00 0.65 C ATOM 0 HA PRO A 54 -10.992 -4.709 -4.773 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -9.940 -5.067 -7.561 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.074 -5.298 -6.054 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -9.747 -7.394 -7.590 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -9.753 -7.523 -5.842 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.101 -7.126 -7.712 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -11.975 -8.185 -6.322 1.00 0.65 H new ATOM 873 N GLU A 55 -12.907 -3.869 -7.119 1.00 0.64 N ATOM 874 CA GLU A 55 -13.540 -2.728 -7.769 1.00 0.75 C ATOM 875 C GLU A 55 -14.103 -1.747 -6.738 1.00 0.69 C ATOM 876 O GLU A 55 -14.398 -0.596 -7.058 1.00 0.80 O ATOM 877 CB GLU A 55 -14.628 -3.194 -8.737 1.00 0.92 C ATOM 878 CG GLU A 55 -15.730 -4.021 -8.098 1.00 1.39 C ATOM 879 CD GLU A 55 -16.729 -4.515 -9.121 1.00 1.89 C ATOM 880 OE1 GLU A 55 -17.505 -3.692 -9.641 1.00 2.27 O ATOM 881 OE2 GLU A 55 -16.726 -5.725 -9.429 1.00 2.43 O ATOM 0 H GLU A 55 -13.421 -4.745 -7.207 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.778 -2.201 -8.343 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.075 -2.319 -9.209 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -14.164 -3.781 -9.529 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -15.290 -4.873 -7.579 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -16.245 -3.422 -7.347 1.00 1.39 H new ATOM 888 N LEU A 56 -14.241 -2.205 -5.497 1.00 0.64 N ATOM 889 CA LEU A 56 -14.604 -1.325 -4.393 1.00 0.68 C ATOM 890 C LEU A 56 -13.341 -0.835 -3.704 1.00 0.59 C ATOM 891 O LEU A 56 -13.382 -0.083 -2.733 1.00 0.69 O ATOM 892 CB LEU A 56 -15.506 -2.050 -3.394 1.00 0.81 C ATOM 893 CG LEU A 56 -16.863 -2.485 -3.945 1.00 1.09 C ATOM 894 CD1 LEU A 56 -17.734 -3.044 -2.833 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.548 -1.317 -4.639 1.00 2.05 C ATOM 0 H LEU A 56 -14.107 -3.181 -5.232 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.157 -0.472 -4.787 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -14.981 -2.932 -3.027 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -15.671 -1.397 -2.537 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.707 -3.275 -4.680 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -18.697 -3.349 -3.243 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -17.242 -3.906 -2.384 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -17.890 -2.278 -2.073 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -18.514 -1.640 -5.027 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.696 -0.506 -3.926 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -16.925 -0.967 -5.462 1.00 2.05 H new ATOM 907 N PHE A 57 -12.218 -1.264 -4.249 1.00 0.47 N ATOM 908 CA PHE A 57 -10.906 -0.933 -3.733 1.00 0.41 C ATOM 909 C PHE A 57 -10.223 0.017 -4.727 1.00 0.37 C ATOM 910 O PHE A 57 -10.870 0.515 -5.652 1.00 0.37 O ATOM 911 CB PHE A 57 -10.133 -2.253 -3.529 1.00 0.38 C ATOM 912 CG PHE A 57 -8.802 -2.152 -2.834 1.00 0.35 C ATOM 913 CD1 PHE A 57 -8.701 -1.620 -1.561 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.654 -2.618 -3.454 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.479 -1.550 -0.919 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.430 -2.554 -2.814 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.343 -2.016 -1.546 1.00 0.35 C ATOM 0 H PHE A 57 -12.193 -1.861 -5.075 1.00 0.47 H new ATOM 0 HA PHE A 57 -10.950 -0.420 -2.772 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -10.765 -2.934 -2.958 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -9.974 -2.709 -4.506 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.587 -1.255 -1.063 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -7.716 -3.036 -4.448 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.414 -1.130 0.074 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.543 -2.925 -3.306 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.387 -1.960 -1.046 1.00 0.35 H new ATOM 927 N ILE A 58 -8.938 0.257 -4.548 1.00 0.36 N ATOM 928 CA ILE A 58 -8.200 1.234 -5.340 1.00 0.36 C ATOM 929 C ILE A 58 -7.818 0.727 -6.728 1.00 0.30 C ATOM 930 O ILE A 58 -7.870 -0.469 -7.015 1.00 0.30 O ATOM 931 CB ILE A 58 -6.912 1.656 -4.617 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.060 0.428 -4.321 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.241 2.404 -3.344 1.00 0.97 C ATOM 934 CD1 ILE A 58 -4.796 0.726 -3.549 1.00 0.90 C ATOM 0 H ILE A 58 -8.370 -0.220 -3.847 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.877 2.079 -5.461 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.344 2.326 -5.263 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.657 -0.288 -3.757 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.793 -0.052 -5.263 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.317 2.696 -2.844 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -7.820 3.295 -3.585 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -7.823 1.761 -2.684 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.247 -0.200 -3.379 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.175 1.417 -4.120 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.053 1.177 -2.590 1.00 0.90 H new ATOM 946 N GLN A 59 -7.444 1.686 -7.574 1.00 0.31 N ATOM 947 CA GLN A 59 -7.021 1.435 -8.947 1.00 0.30 C ATOM 948 C GLN A 59 -5.784 0.552 -8.956 1.00 0.27 C ATOM 949 O GLN A 59 -4.968 0.631 -8.045 1.00 0.29 O ATOM 950 CB GLN A 59 -6.667 2.767 -9.625 1.00 0.39 C ATOM 951 CG GLN A 59 -5.453 3.445 -8.991 1.00 0.56 C ATOM 952 CD GLN A 59 -5.055 4.739 -9.669 1.00 0.60 C ATOM 953 OE1 GLN A 59 -3.771 5.088 -9.590 1.00 1.35 O flip ATOM 954 NE2 GLN A 59 -5.892 5.430 -10.241 1.00 0.58 N flip ATOM 0 H GLN A 59 -7.427 2.673 -7.319 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.834 0.941 -9.479 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.469 2.591 -10.682 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.524 3.438 -9.569 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.667 3.646 -7.941 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.608 2.757 -9.018 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -6.865 5.126 -10.278 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -5.615 6.308 -10.679 1.00 0.58 H new ATOM 963 N GLY A 60 -5.654 -0.286 -9.973 1.00 0.32 N ATOM 964 CA GLY A 60 -4.485 -1.141 -10.090 1.00 0.38 C ATOM 965 C GLY A 60 -3.251 -0.369 -10.528 1.00 0.37 C ATOM 966 O GLY A 60 -2.574 -0.753 -11.483 1.00 0.55 O ATOM 0 H GLY A 60 -6.338 -0.391 -10.723 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.290 -1.620 -9.131 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.688 -1.936 -10.808 1.00 0.38 H new ATOM 970 N ASP A 61 -2.972 0.723 -9.828 1.00 0.40 N ATOM 971 CA ASP A 61 -1.831 1.582 -10.127 1.00 0.46 C ATOM 972 C ASP A 61 -1.260 2.142 -8.831 1.00 0.44 C ATOM 973 O ASP A 61 -0.094 1.932 -8.515 1.00 0.54 O ATOM 974 CB ASP A 61 -2.229 2.751 -11.044 1.00 0.55 C ATOM 975 CG ASP A 61 -2.681 2.326 -12.428 1.00 0.81 C ATOM 976 OD1 ASP A 61 -3.884 2.034 -12.605 1.00 0.96 O ATOM 977 OD2 ASP A 61 -1.833 2.258 -13.344 1.00 1.06 O ATOM 0 H ASP A 61 -3.531 1.039 -9.035 1.00 0.40 H new ATOM 0 HA ASP A 61 -1.085 0.978 -10.642 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -3.032 3.315 -10.569 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.380 3.427 -11.142 1.00 0.55 H new ATOM 982 N SER A 62 -2.109 2.835 -8.071 1.00 0.40 N ATOM 983 CA SER A 62 -1.686 3.492 -6.835 1.00 0.46 C ATOM 984 C SER A 62 -2.823 3.475 -5.806 1.00 0.47 C ATOM 985 O SER A 62 -2.795 2.701 -4.857 1.00 0.70 O ATOM 986 CB SER A 62 -1.246 4.932 -7.129 1.00 0.53 C ATOM 987 OG SER A 62 -0.695 5.557 -5.985 1.00 0.80 O ATOM 0 H SER A 62 -3.098 2.956 -8.292 1.00 0.40 H new ATOM 0 HA SER A 62 -0.839 2.947 -6.418 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.509 4.930 -7.932 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.101 5.509 -7.482 1.00 0.53 H new ATOM 0 HG SER A 62 -0.946 6.504 -5.977 1.00 0.80 H new ATOM 993 N VAL A 63 -3.823 4.328 -6.016 1.00 0.38 N ATOM 994 CA VAL A 63 -5.023 4.383 -5.177 1.00 0.37 C ATOM 995 C VAL A 63 -6.160 5.002 -5.968 1.00 0.40 C ATOM 996 O VAL A 63 -5.931 5.762 -6.907 1.00 0.52 O ATOM 997 CB VAL A 63 -4.852 5.249 -3.908 1.00 0.53 C ATOM 998 CG1 VAL A 63 -3.894 4.637 -2.903 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.418 6.648 -4.281 1.00 0.78 C ATOM 0 H VAL A 63 -3.826 5.006 -6.778 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.222 3.355 -4.875 1.00 0.37 H new ATOM 0 HB VAL A 63 -5.825 5.295 -3.420 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -3.814 5.289 -2.033 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -4.267 3.661 -2.592 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -2.912 4.520 -3.361 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.302 7.246 -3.377 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.467 6.605 -4.812 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -5.172 7.104 -4.923 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.378 4.672 -5.593 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.535 5.393 -6.078 1.00 0.40 C ATOM 1011 C ARG A 64 -8.674 6.644 -5.224 1.00 0.40 C ATOM 1012 O ARG A 64 -8.109 6.689 -4.133 1.00 0.40 O ATOM 1013 CB ARG A 64 -9.798 4.525 -5.968 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.150 4.148 -4.537 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.333 3.195 -4.467 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.570 3.799 -4.959 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.593 3.106 -5.462 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -13.482 1.794 -5.651 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.713 3.735 -5.805 1.00 2.05 N ATOM 0 H ARG A 64 -7.592 3.908 -4.953 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.411 5.654 -7.129 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.637 5.060 -6.412 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.656 3.615 -6.551 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.285 3.686 -4.062 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.379 5.051 -3.971 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.111 2.302 -5.052 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.475 2.873 -3.435 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.656 4.814 -4.915 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -12.613 1.316 -5.411 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -14.265 1.266 -6.036 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.788 4.745 -5.683 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.497 3.208 -6.190 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.401 7.671 -5.684 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.675 8.855 -4.859 1.00 0.53 C ATOM 1035 C PRO A 65 -10.296 8.462 -3.521 1.00 0.44 C ATOM 1036 O PRO A 65 -10.245 9.207 -2.541 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.674 9.658 -5.691 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.502 9.185 -7.094 1.00 0.72 C ATOM 1039 CD PRO A 65 -9.990 7.772 -7.027 1.00 0.61 C ATOM 0 HA PRO A 65 -8.769 9.413 -4.621 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.694 9.493 -5.344 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.479 10.728 -5.612 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.449 9.226 -7.633 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -9.801 9.823 -7.632 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -10.794 7.049 -7.166 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.250 7.578 -7.803 1.00 0.61 H new ATOM 1047 N GLY A 66 -10.890 7.276 -3.513 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.488 6.722 -2.325 1.00 0.32 C ATOM 1049 C GLY A 66 -10.495 6.431 -1.214 1.00 0.25 C ATOM 1050 O GLY A 66 -10.705 6.853 -0.081 1.00 0.27 O ATOM 0 H GLY A 66 -10.966 6.677 -4.335 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.242 7.415 -1.952 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.006 5.799 -2.587 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.425 5.689 -1.493 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.462 5.405 -0.448 1.00 0.23 C ATOM 1056 C ILE A 67 -7.270 6.341 -0.506 1.00 0.24 C ATOM 1057 O ILE A 67 -6.576 6.434 -1.517 1.00 0.32 O ATOM 1058 CB ILE A 67 -7.977 3.955 -0.507 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.182 3.017 -0.478 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.027 3.651 0.642 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -8.812 1.558 -0.441 1.00 0.34 C ATOM 0 H ILE A 67 -9.212 5.287 -2.406 1.00 0.28 H new ATOM 0 HA ILE A 67 -8.981 5.564 0.497 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.427 3.802 -1.435 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -9.792 3.250 0.395 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -9.798 3.204 -1.357 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -6.697 2.614 0.577 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.162 4.311 0.583 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.541 3.809 1.590 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -9.719 0.953 -0.422 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.228 1.308 -1.327 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.221 1.355 0.452 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.054 7.020 0.598 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.909 7.892 0.773 1.00 0.29 C ATOM 1075 C LEU A 68 -4.854 7.130 1.549 1.00 0.28 C ATOM 1076 O LEU A 68 -5.157 6.559 2.594 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.298 9.143 1.568 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.601 9.820 1.146 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.910 10.992 2.062 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.524 10.281 -0.297 1.00 0.44 C ATOM 0 H LEU A 68 -7.672 6.984 1.408 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.536 8.201 -0.204 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.376 8.872 2.621 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.490 9.869 1.485 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.408 9.092 1.229 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.841 11.464 1.748 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -8.011 10.636 3.087 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -7.099 11.719 2.009 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.462 10.760 -0.576 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.706 10.993 -0.408 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.348 9.422 -0.945 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.630 7.093 1.063 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.608 6.363 1.775 1.00 0.27 C ATOM 1094 C VAL A 69 -1.469 7.269 2.180 1.00 0.19 C ATOM 1095 O VAL A 69 -1.101 8.204 1.467 1.00 0.21 O ATOM 1096 CB VAL A 69 -2.051 5.154 0.989 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -3.177 4.345 0.381 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -1.046 5.580 -0.066 1.00 0.81 C ATOM 0 H VAL A 69 -3.326 7.547 0.202 1.00 0.25 H new ATOM 0 HA VAL A 69 -3.101 5.971 2.665 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.519 4.518 1.697 1.00 0.44 H new ATOM 0 HG11 VAL A 69 -2.762 3.499 -0.168 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.831 3.979 1.173 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -3.750 4.974 -0.301 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -0.679 4.701 -0.595 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -1.526 6.256 -0.774 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -0.210 6.090 0.413 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.937 6.999 3.344 1.00 0.18 N ATOM 1109 CA LEU A 70 0.237 7.689 3.813 1.00 0.16 C ATOM 1110 C LEU A 70 1.468 6.952 3.344 1.00 0.15 C ATOM 1111 O LEU A 70 1.603 5.755 3.571 1.00 0.19 O ATOM 1112 CB LEU A 70 0.257 7.783 5.340 1.00 0.22 C ATOM 1113 CG LEU A 70 -0.885 8.576 5.969 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -0.686 8.680 7.471 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -0.981 9.959 5.345 1.00 0.90 C ATOM 0 H LEU A 70 -1.302 6.299 3.990 1.00 0.18 H new ATOM 0 HA LEU A 70 0.222 8.701 3.409 1.00 0.16 H new ATOM 0 HB2 LEU A 70 0.241 6.772 5.748 1.00 0.22 H new ATOM 0 HB3 LEU A 70 1.200 8.235 5.646 1.00 0.22 H new ATOM 0 HG LEU A 70 -1.821 8.050 5.778 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.507 9.248 7.908 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -0.664 7.680 7.905 1.00 0.95 H new ATOM 0 HD13 LEU A 70 0.257 9.186 7.679 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.801 10.510 5.806 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.047 10.497 5.506 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.165 9.863 4.275 1.00 0.90 H new ATOM 1127 N ILE A 71 2.334 7.652 2.649 1.00 0.14 N ATOM 1128 CA ILE A 71 3.641 7.116 2.351 1.00 0.17 C ATOM 1129 C ILE A 71 4.581 7.545 3.453 1.00 0.20 C ATOM 1130 O ILE A 71 4.894 8.732 3.573 1.00 0.24 O ATOM 1131 CB ILE A 71 4.198 7.589 0.998 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.225 7.241 -0.136 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.560 6.949 0.760 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.089 5.759 -0.411 1.00 0.20 C ATOM 0 H ILE A 71 2.159 8.587 2.282 1.00 0.14 H new ATOM 0 HA ILE A 71 3.552 6.031 2.288 1.00 0.17 H new ATOM 0 HB ILE A 71 4.314 8.673 1.016 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.242 7.644 0.108 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.556 7.738 -1.048 1.00 0.18 H new ATOM 0 HG21 ILE A 71 5.956 7.283 -0.199 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.244 7.241 1.557 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.456 5.864 0.751 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.383 5.604 -1.226 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.060 5.350 -0.689 1.00 0.20 H new ATOM 0 HD13 ILE A 71 2.726 5.255 0.485 1.00 0.20 H new ATOM 1146 N ASN A 72 4.947 6.588 4.295 1.00 0.22 N ATOM 1147 CA ASN A 72 5.811 6.822 5.446 1.00 0.28 C ATOM 1148 C ASN A 72 5.006 7.467 6.560 1.00 0.27 C ATOM 1149 O ASN A 72 4.945 6.942 7.671 1.00 0.31 O ATOM 1150 CB ASN A 72 7.025 7.684 5.080 1.00 0.41 C ATOM 1151 CG ASN A 72 8.272 7.264 5.818 1.00 1.04 C ATOM 1152 OD1 ASN A 72 8.571 7.750 6.911 1.00 1.94 O ATOM 1153 ND2 ASN A 72 9.002 6.353 5.216 1.00 1.33 N ATOM 0 H ASN A 72 4.650 5.617 4.198 1.00 0.22 H new ATOM 0 HA ASN A 72 6.196 5.861 5.788 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.202 7.620 4.006 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.807 8.728 5.305 1.00 0.41 H new ATOM 0 HD21 ASN A 72 9.860 6.016 5.653 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.711 5.982 4.311 1.00 1.33 H new ATOM 1160 N ASP A 73 4.380 8.592 6.226 1.00 0.26 N ATOM 1161 CA ASP A 73 3.464 9.305 7.118 1.00 0.29 C ATOM 1162 C ASP A 73 2.953 10.574 6.425 1.00 0.28 C ATOM 1163 O ASP A 73 2.520 11.524 7.072 1.00 0.36 O ATOM 1164 CB ASP A 73 4.164 9.666 8.439 1.00 0.36 C ATOM 1165 CG ASP A 73 3.209 10.183 9.500 1.00 0.62 C ATOM 1166 OD1 ASP A 73 2.352 9.401 9.971 1.00 1.03 O ATOM 1167 OD2 ASP A 73 3.312 11.369 9.871 1.00 0.65 O ATOM 0 H ASP A 73 4.494 9.042 5.318 1.00 0.26 H new ATOM 0 HA ASP A 73 2.619 8.655 7.347 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.680 8.785 8.822 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.925 10.422 8.245 1.00 0.36 H new ATOM 1172 N ALA A 74 2.971 10.581 5.094 1.00 0.27 N ATOM 1173 CA ALA A 74 2.653 11.794 4.348 1.00 0.29 C ATOM 1174 C ALA A 74 1.778 11.496 3.133 1.00 0.25 C ATOM 1175 O ALA A 74 1.506 10.334 2.826 1.00 0.20 O ATOM 1176 CB ALA A 74 3.936 12.493 3.929 1.00 0.33 C ATOM 0 H ALA A 74 3.199 9.771 4.517 1.00 0.27 H new ATOM 0 HA ALA A 74 2.083 12.455 5.001 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.692 13.398 3.372 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.513 12.757 4.815 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.524 11.826 3.298 1.00 0.33 H new ATOM 1182 N ASP A 75 1.360 12.554 2.439 1.00 0.30 N ATOM 1183 CA ASP A 75 0.449 12.437 1.297 1.00 0.29 C ATOM 1184 C ASP A 75 1.138 11.764 0.121 1.00 0.23 C ATOM 1185 O ASP A 75 2.009 12.344 -0.524 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.068 13.811 0.867 1.00 0.36 C ATOM 1187 CG ASP A 75 -0.826 14.525 1.966 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -2.003 14.186 2.204 1.00 0.61 O ATOM 1189 OD2 ASP A 75 -0.248 15.438 2.593 1.00 0.62 O ATOM 0 H ASP A 75 1.640 13.512 2.649 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.395 11.824 1.613 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.774 14.428 0.553 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.719 13.694 0.000 1.00 0.36 H new ATOM 1194 N TRP A 76 0.716 10.540 -0.149 1.00 0.21 N ATOM 1195 CA TRP A 76 1.282 9.707 -1.206 1.00 0.17 C ATOM 1196 C TRP A 76 1.430 10.444 -2.540 1.00 0.16 C ATOM 1197 O TRP A 76 2.499 10.422 -3.150 1.00 0.14 O ATOM 1198 CB TRP A 76 0.389 8.474 -1.403 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.935 8.773 -2.061 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.334 8.347 -3.292 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -2.010 9.593 -1.559 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.573 8.848 -3.588 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -3.016 9.602 -2.541 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.227 10.312 -0.380 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.207 10.300 -2.385 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.410 11.003 -0.225 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.388 10.991 -1.223 1.00 0.34 C ATOM 0 H TRP A 76 -0.040 10.087 0.365 1.00 0.21 H new ATOM 0 HA TRP A 76 2.285 9.421 -0.889 1.00 0.17 H new ATOM 0 HB2 TRP A 76 0.926 7.742 -2.007 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.205 8.013 -0.433 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.756 7.706 -3.941 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -3.085 8.683 -4.455 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.479 10.326 0.398 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.963 10.296 -3.156 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.584 11.563 0.682 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.306 11.540 -1.071 1.00 0.34 H new ATOM 1218 N GLU A 77 0.364 11.106 -2.974 1.00 0.19 N ATOM 1219 CA GLU A 77 0.275 11.629 -4.327 1.00 0.21 C ATOM 1220 C GLU A 77 1.344 12.671 -4.603 1.00 0.21 C ATOM 1221 O GLU A 77 1.965 12.660 -5.658 1.00 0.27 O ATOM 1222 CB GLU A 77 -1.119 12.210 -4.580 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.624 13.108 -3.461 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.919 13.805 -3.823 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.961 13.126 -3.914 1.00 0.74 O ATOM 1226 OE2 GLU A 77 -2.897 15.035 -4.032 1.00 0.82 O ATOM 0 H GLU A 77 -0.458 11.293 -2.399 1.00 0.19 H new ATOM 0 HA GLU A 77 0.445 10.799 -5.013 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -1.102 12.779 -5.510 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.824 11.390 -4.721 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.774 12.513 -2.560 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.865 13.855 -3.227 1.00 0.49 H new ATOM 1233 N LEU A 78 1.576 13.554 -3.649 1.00 0.24 N ATOM 1234 CA LEU A 78 2.559 14.610 -3.826 1.00 0.29 C ATOM 1235 C LEU A 78 3.938 14.164 -3.342 1.00 0.25 C ATOM 1236 O LEU A 78 4.888 14.946 -3.339 1.00 0.35 O ATOM 1237 CB LEU A 78 2.096 15.907 -3.142 1.00 0.47 C ATOM 1238 CG LEU A 78 1.598 15.777 -1.700 1.00 0.55 C ATOM 1239 CD1 LEU A 78 2.755 15.829 -0.718 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.587 16.870 -1.391 1.00 1.00 C ATOM 0 H LEU A 78 1.100 13.562 -2.747 1.00 0.24 H new ATOM 0 HA LEU A 78 2.649 14.821 -4.892 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.925 16.614 -3.154 1.00 0.47 H new ATOM 0 HB3 LEU A 78 1.297 16.343 -3.741 1.00 0.47 H new ATOM 0 HG LEU A 78 1.110 14.808 -1.594 1.00 0.55 H new ATOM 0 HD11 LEU A 78 2.374 15.735 0.299 1.00 1.12 H new ATOM 0 HD12 LEU A 78 3.445 15.010 -0.925 1.00 1.12 H new ATOM 0 HD13 LEU A 78 3.278 16.779 -0.822 1.00 1.12 H new ATOM 0 HD21 LEU A 78 0.241 16.766 -0.363 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.056 17.846 -1.519 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -0.262 16.783 -2.070 1.00 1.00 H new ATOM 1252 N LEU A 79 4.032 12.905 -2.923 1.00 0.20 N ATOM 1253 CA LEU A 79 5.304 12.328 -2.503 1.00 0.20 C ATOM 1254 C LEU A 79 5.903 11.438 -3.596 1.00 0.20 C ATOM 1255 O LEU A 79 7.126 11.335 -3.725 1.00 0.22 O ATOM 1256 CB LEU A 79 5.110 11.498 -1.231 1.00 0.22 C ATOM 1257 CG LEU A 79 5.642 12.125 0.059 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.826 13.342 0.445 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.642 11.105 1.185 1.00 0.75 C ATOM 0 H LEU A 79 3.240 12.264 -2.866 1.00 0.20 H new ATOM 0 HA LEU A 79 5.992 13.151 -2.310 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.045 11.303 -1.106 1.00 0.22 H new ATOM 0 HB3 LEU A 79 5.597 10.533 -1.371 1.00 0.22 H new ATOM 0 HG LEU A 79 6.668 12.447 -0.118 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.224 13.770 1.365 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.879 14.083 -0.352 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.788 13.049 0.600 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.023 11.568 2.095 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.625 10.752 1.356 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.278 10.262 0.913 1.00 0.75 H new ATOM 1271 N GLY A 80 5.045 10.812 -4.393 1.00 0.20 N ATOM 1272 CA GLY A 80 5.520 9.912 -5.431 1.00 0.22 C ATOM 1273 C GLY A 80 4.637 8.685 -5.587 1.00 0.19 C ATOM 1274 O GLY A 80 4.611 8.070 -6.656 1.00 0.22 O ATOM 0 H GLY A 80 4.031 10.910 -4.341 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.563 10.447 -6.379 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.537 9.596 -5.196 1.00 0.22 H new ATOM 1278 N GLU A 81 3.928 8.334 -4.503 1.00 0.17 N ATOM 1279 CA GLU A 81 2.938 7.248 -4.477 1.00 0.20 C ATOM 1280 C GLU A 81 3.392 5.975 -5.215 1.00 0.16 C ATOM 1281 O GLU A 81 4.453 5.434 -4.915 1.00 0.17 O ATOM 1282 CB GLU A 81 1.567 7.742 -4.976 1.00 0.33 C ATOM 1283 CG GLU A 81 1.618 8.604 -6.225 1.00 0.48 C ATOM 1284 CD GLU A 81 0.244 8.975 -6.745 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.661 8.119 -6.695 1.00 0.58 O ATOM 1286 OE2 GLU A 81 0.064 10.124 -7.201 1.00 0.41 O ATOM 0 H GLU A 81 4.029 8.806 -3.604 1.00 0.17 H new ATOM 0 HA GLU A 81 2.838 6.952 -3.433 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.935 6.877 -5.174 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.089 8.310 -4.178 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.177 9.515 -6.009 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.164 8.073 -7.004 1.00 0.48 H new ATOM 1293 N LEU A 82 2.577 5.524 -6.175 1.00 0.16 N ATOM 1294 CA LEU A 82 2.723 4.217 -6.840 1.00 0.18 C ATOM 1295 C LEU A 82 4.179 3.810 -7.144 1.00 0.16 C ATOM 1296 O LEU A 82 4.618 2.738 -6.734 1.00 0.20 O ATOM 1297 CB LEU A 82 1.895 4.179 -8.137 1.00 0.24 C ATOM 1298 CG LEU A 82 2.339 5.097 -9.287 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.501 4.818 -10.524 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.226 6.562 -8.903 1.00 1.19 C ATOM 0 H LEU A 82 1.783 6.063 -6.520 1.00 0.16 H new ATOM 0 HA LEU A 82 2.348 3.487 -6.122 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.894 3.153 -8.506 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.864 4.428 -7.886 1.00 0.24 H new ATOM 0 HG LEU A 82 3.387 4.886 -9.501 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.821 5.472 -11.335 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.630 3.778 -10.824 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.450 5.004 -10.301 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.548 7.183 -9.739 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.190 6.795 -8.656 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.859 6.761 -8.038 1.00 1.19 H new ATOM 1312 N ASP A 83 4.932 4.663 -7.827 1.00 0.20 N ATOM 1313 CA ASP A 83 6.288 4.306 -8.267 1.00 0.24 C ATOM 1314 C ASP A 83 7.330 4.739 -7.254 1.00 0.26 C ATOM 1315 O ASP A 83 8.388 5.253 -7.617 1.00 0.56 O ATOM 1316 CB ASP A 83 6.606 4.943 -9.624 1.00 0.34 C ATOM 1317 CG ASP A 83 5.967 4.220 -10.793 1.00 1.21 C ATOM 1318 OD1 ASP A 83 4.744 4.373 -10.999 1.00 2.00 O ATOM 1319 OD2 ASP A 83 6.674 3.472 -11.497 1.00 1.72 O ATOM 0 H ASP A 83 4.635 5.603 -8.090 1.00 0.20 H new ATOM 0 HA ASP A 83 6.320 3.221 -8.361 1.00 0.24 H new ATOM 0 HB2 ASP A 83 6.268 5.979 -9.619 1.00 0.34 H new ATOM 0 HB3 ASP A 83 7.687 4.961 -9.764 1.00 0.34 H new ATOM 1324 N TYR A 84 7.029 4.551 -5.984 1.00 0.21 N ATOM 1325 CA TYR A 84 7.974 4.839 -4.938 1.00 0.19 C ATOM 1326 C TYR A 84 9.083 3.808 -4.905 1.00 0.21 C ATOM 1327 O TYR A 84 8.878 2.635 -5.199 1.00 0.33 O ATOM 1328 CB TYR A 84 7.284 4.886 -3.583 1.00 0.19 C ATOM 1329 CG TYR A 84 7.369 6.239 -2.941 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.584 6.731 -2.496 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.244 7.027 -2.792 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.675 7.976 -1.917 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.322 8.275 -2.215 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.545 8.744 -1.778 1.00 0.25 C ATOM 1335 OH TYR A 84 7.643 9.978 -1.190 1.00 0.30 O ATOM 0 H TYR A 84 6.130 4.198 -5.656 1.00 0.21 H new ATOM 0 HA TYR A 84 8.409 5.816 -5.151 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.236 4.610 -3.703 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.736 4.145 -2.923 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.474 6.129 -2.605 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.288 6.658 -3.134 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.629 8.347 -1.574 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.435 8.881 -2.105 1.00 0.21 H new ATOM 0 HH TYR A 84 7.645 10.671 -1.883 1.00 0.30 H new ATOM 1345 N GLN A 85 10.246 4.270 -4.514 1.00 0.27 N ATOM 1346 CA GLN A 85 11.431 3.443 -4.406 1.00 0.28 C ATOM 1347 C GLN A 85 11.517 2.915 -2.985 1.00 0.24 C ATOM 1348 O GLN A 85 12.503 2.302 -2.592 1.00 0.28 O ATOM 1349 CB GLN A 85 12.706 4.259 -4.713 1.00 0.40 C ATOM 1350 CG GLN A 85 12.510 5.497 -5.596 1.00 0.70 C ATOM 1351 CD GLN A 85 11.632 6.565 -4.955 1.00 0.77 C ATOM 1352 OE1 GLN A 85 11.609 6.602 -3.627 1.00 1.74 O flip ATOM 1353 NE2 GLN A 85 10.959 7.327 -5.645 1.00 0.74 N flip ATOM 0 H GLN A 85 10.402 5.245 -4.257 1.00 0.27 H new ATOM 0 HA GLN A 85 11.361 2.627 -5.126 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.148 4.576 -3.768 1.00 0.40 H new ATOM 0 HB3 GLN A 85 13.428 3.601 -5.197 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.484 5.928 -5.826 1.00 0.70 H new ATOM 0 HG3 GLN A 85 12.065 5.192 -6.543 1.00 0.70 H new ATOM 0 HE21 GLN A 85 11.004 7.268 -6.662 1.00 0.74 H new ATOM 0 HE22 GLN A 85 10.356 8.019 -5.201 1.00 0.74 H new ATOM 1362 N LEU A 86 10.451 3.167 -2.233 1.00 0.22 N ATOM 1363 CA LEU A 86 10.372 2.838 -0.810 1.00 0.24 C ATOM 1364 C LEU A 86 11.397 3.606 0.013 1.00 0.30 C ATOM 1365 O LEU A 86 12.508 3.910 -0.434 1.00 0.34 O ATOM 1366 CB LEU A 86 10.542 1.335 -0.560 1.00 0.25 C ATOM 1367 CG LEU A 86 9.436 0.442 -1.110 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.074 0.938 -0.650 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.517 0.370 -2.624 1.00 0.86 C ATOM 0 H LEU A 86 9.607 3.610 -2.596 1.00 0.22 H new ATOM 0 HA LEU A 86 9.374 3.137 -0.489 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.489 1.018 -0.996 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.615 1.171 0.515 1.00 0.25 H new ATOM 0 HG LEU A 86 9.572 -0.567 -0.720 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.296 0.289 -1.052 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.031 0.925 0.439 1.00 0.75 H new ATOM 0 HD13 LEU A 86 7.918 1.956 -1.007 1.00 0.75 H new ATOM 0 HD21 LEU A 86 8.720 -0.272 -3.001 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.406 1.370 -3.042 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.483 -0.041 -2.918 1.00 0.86 H new ATOM 1381 N GLN A 87 10.993 3.937 1.216 1.00 0.39 N ATOM 1382 CA GLN A 87 11.860 4.575 2.174 1.00 0.51 C ATOM 1383 C GLN A 87 11.806 3.751 3.455 1.00 0.76 C ATOM 1384 O GLN A 87 10.803 3.092 3.718 1.00 1.74 O ATOM 1385 CB GLN A 87 11.412 6.022 2.414 1.00 0.46 C ATOM 1386 CG GLN A 87 10.990 6.746 1.144 1.00 0.86 C ATOM 1387 CD GLN A 87 9.513 7.104 1.121 1.00 0.65 C ATOM 1388 OE1 GLN A 87 8.686 6.181 0.645 1.00 1.18 O flip ATOM 1389 NE2 GLN A 87 9.121 8.194 1.534 1.00 0.48 N flip ATOM 0 H GLN A 87 10.047 3.770 1.559 1.00 0.39 H new ATOM 0 HA GLN A 87 12.886 4.619 1.807 1.00 0.51 H new ATOM 0 HB2 GLN A 87 10.579 6.024 3.118 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.227 6.573 2.883 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.580 7.657 1.040 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.218 6.118 0.283 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.791 8.875 1.892 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.126 8.417 1.519 1.00 0.48 H new ATOM 1398 N ASP A 88 12.874 3.742 4.233 1.00 0.43 N ATOM 1399 CA ASP A 88 12.924 2.883 5.409 1.00 0.40 C ATOM 1400 C ASP A 88 11.870 3.291 6.424 1.00 0.32 C ATOM 1401 O ASP A 88 11.584 4.479 6.601 1.00 0.36 O ATOM 1402 CB ASP A 88 14.312 2.884 6.056 1.00 0.56 C ATOM 1403 CG ASP A 88 14.751 4.254 6.527 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.361 4.669 7.636 1.00 1.53 O ATOM 1405 OD2 ASP A 88 15.510 4.920 5.793 1.00 2.44 O ATOM 0 H ASP A 88 13.708 4.309 4.078 1.00 0.43 H new ATOM 0 HA ASP A 88 12.713 1.868 5.074 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.311 2.199 6.904 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.040 2.503 5.339 1.00 0.56 H new ATOM 1410 N GLN A 89 11.289 2.285 7.074 1.00 0.31 N ATOM 1411 CA GLN A 89 10.208 2.484 8.026 1.00 0.34 C ATOM 1412 C GLN A 89 9.038 3.209 7.377 1.00 0.34 C ATOM 1413 O GLN A 89 8.325 3.981 8.021 1.00 0.42 O ATOM 1414 CB GLN A 89 10.704 3.214 9.273 1.00 0.40 C ATOM 1415 CG GLN A 89 11.421 2.289 10.240 1.00 0.62 C ATOM 1416 CD GLN A 89 12.800 1.864 9.772 1.00 0.77 C ATOM 1417 OE1 GLN A 89 13.798 2.524 10.055 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.867 0.735 9.082 1.00 0.71 N ATOM 0 H GLN A 89 11.558 1.309 6.952 1.00 0.31 H new ATOM 0 HA GLN A 89 9.850 1.505 8.343 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.378 4.017 8.976 1.00 0.40 H new ATOM 0 HB3 GLN A 89 9.858 3.679 9.779 1.00 0.40 H new ATOM 0 HG2 GLN A 89 11.513 2.788 11.205 1.00 0.62 H new ATOM 0 HG3 GLN A 89 10.811 1.400 10.398 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.015 0.217 8.868 1.00 0.71 H new ATOM 0 HE22 GLN A 89 13.771 0.384 8.765 1.00 0.71 H new ATOM 1427 N ASP A 90 8.851 2.932 6.092 1.00 0.30 N ATOM 1428 CA ASP A 90 7.696 3.417 5.358 1.00 0.34 C ATOM 1429 C ASP A 90 6.433 2.902 5.991 1.00 0.32 C ATOM 1430 O ASP A 90 6.163 1.703 5.952 1.00 0.45 O ATOM 1431 CB ASP A 90 7.721 2.929 3.912 1.00 0.45 C ATOM 1432 CG ASP A 90 7.945 4.033 2.909 1.00 0.75 C ATOM 1433 OD1 ASP A 90 7.615 5.196 3.216 1.00 1.17 O ATOM 1434 OD2 ASP A 90 8.455 3.737 1.807 1.00 1.06 O ATOM 0 H ASP A 90 9.493 2.368 5.535 1.00 0.30 H new ATOM 0 HA ASP A 90 7.727 4.506 5.381 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.508 2.183 3.802 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.777 2.431 3.688 1.00 0.45 H new ATOM 1439 N SER A 91 5.666 3.780 6.591 1.00 0.23 N ATOM 1440 CA SER A 91 4.366 3.383 7.056 1.00 0.21 C ATOM 1441 C SER A 91 3.382 3.672 5.949 1.00 0.17 C ATOM 1442 O SER A 91 2.915 4.800 5.794 1.00 0.17 O ATOM 1443 CB SER A 91 3.987 4.128 8.332 1.00 0.25 C ATOM 1444 OG SER A 91 2.753 3.667 8.862 1.00 1.14 O ATOM 0 H SER A 91 5.915 4.754 6.765 1.00 0.23 H new ATOM 0 HA SER A 91 4.361 2.321 7.301 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.773 3.999 9.076 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.917 5.196 8.123 1.00 0.25 H new ATOM 0 HG SER A 91 2.542 4.165 9.679 1.00 1.14 H new ATOM 1450 N ILE A 92 3.117 2.658 5.153 1.00 0.17 N ATOM 1451 CA ILE A 92 2.184 2.786 4.058 1.00 0.15 C ATOM 1452 C ILE A 92 0.810 2.425 4.578 1.00 0.14 C ATOM 1453 O ILE A 92 0.519 1.255 4.838 1.00 0.17 O ATOM 1454 CB ILE A 92 2.557 1.874 2.863 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.074 1.891 2.604 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.800 2.303 1.612 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.663 3.269 2.374 1.00 0.21 C ATOM 0 H ILE A 92 3.537 1.733 5.246 1.00 0.17 H new ATOM 0 HA ILE A 92 2.208 3.811 3.688 1.00 0.15 H new ATOM 0 HB ILE A 92 2.270 0.853 3.115 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.579 1.432 3.454 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.287 1.270 1.734 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.073 1.653 0.781 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.728 2.230 1.793 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.058 3.333 1.366 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.736 3.182 2.200 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.191 3.726 1.505 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.487 3.891 3.252 1.00 0.21 H new ATOM 1469 N LEU A 93 -0.025 3.429 4.744 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.286 3.237 5.428 1.00 0.14 C ATOM 1471 C LEU A 93 -2.436 3.521 4.493 1.00 0.14 C ATOM 1472 O LEU A 93 -2.602 4.646 4.035 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.386 4.160 6.646 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.126 3.571 7.850 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.580 4.673 8.788 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.311 2.735 7.405 1.00 0.56 C ATOM 0 H LEU A 93 0.145 4.380 4.417 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.335 2.200 5.761 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.378 4.435 6.958 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.888 5.079 6.345 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.433 2.921 8.385 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -3.104 4.235 9.637 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.712 5.228 9.144 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.251 5.349 8.258 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.819 2.329 8.280 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.004 3.358 6.840 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -2.963 1.917 6.775 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.237 2.511 4.223 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.379 2.694 3.360 1.00 0.14 C ATOM 1490 C PHE A 94 -5.585 3.153 4.170 1.00 0.13 C ATOM 1491 O PHE A 94 -6.119 2.412 5.004 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.686 1.398 2.601 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.628 1.029 1.595 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.357 0.665 2.010 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.907 1.032 0.237 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.387 0.313 1.091 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.943 0.679 -0.686 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.668 0.376 -0.267 1.00 0.33 C ATOM 0 H PHE A 94 -3.118 1.565 4.586 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.148 3.468 2.628 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.796 0.584 3.317 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.643 1.503 2.089 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.122 0.656 3.064 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.892 1.314 -0.104 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.413 -0.010 1.428 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -3.190 0.641 -1.737 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.889 0.188 -0.991 1.00 0.33 H new ATOM 1508 N ILE A 95 -6.013 4.376 3.909 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.163 4.949 4.579 1.00 0.17 C ATOM 1510 C ILE A 95 -8.293 5.141 3.590 1.00 0.18 C ATOM 1511 O ILE A 95 -8.281 6.074 2.790 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.823 6.312 5.228 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.706 6.149 6.258 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -8.061 6.928 5.872 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -6.060 5.187 7.364 1.00 1.16 C ATOM 0 H ILE A 95 -5.574 4.996 3.229 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.465 4.257 5.366 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.476 6.987 4.446 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.804 5.800 5.755 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.474 7.122 6.691 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.799 7.885 6.322 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.828 7.082 5.113 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.442 6.257 6.642 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -5.227 5.114 8.063 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.945 5.546 7.890 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.265 4.204 6.940 1.00 1.16 H new ATOM 1527 N SER A 96 -9.263 4.256 3.633 1.00 0.20 N ATOM 1528 CA SER A 96 -10.402 4.379 2.761 1.00 0.24 C ATOM 1529 C SER A 96 -11.322 5.464 3.287 1.00 0.28 C ATOM 1530 O SER A 96 -11.867 5.350 4.385 1.00 0.35 O ATOM 1531 CB SER A 96 -11.138 3.043 2.652 1.00 0.31 C ATOM 1532 OG SER A 96 -12.202 3.117 1.722 1.00 0.37 O ATOM 0 H SER A 96 -9.284 3.450 4.258 1.00 0.20 H new ATOM 0 HA SER A 96 -10.065 4.655 1.762 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.439 2.264 2.347 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.526 2.758 3.630 1.00 0.31 H new ATOM 0 HG SER A 96 -12.653 2.249 1.672 1.00 0.37 H new ATOM 1538 N THR A 97 -11.471 6.527 2.517 1.00 0.27 N ATOM 1539 CA THR A 97 -12.352 7.608 2.900 1.00 0.36 C ATOM 1540 C THR A 97 -13.694 7.439 2.191 1.00 0.48 C ATOM 1541 O THR A 97 -14.575 8.299 2.263 1.00 0.58 O ATOM 1542 CB THR A 97 -11.725 8.995 2.603 1.00 0.34 C ATOM 1543 OG1 THR A 97 -12.393 10.009 3.367 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.801 9.348 1.123 1.00 0.35 C ATOM 0 H THR A 97 -10.993 6.662 1.626 1.00 0.27 H new ATOM 0 HA THR A 97 -12.510 7.566 3.978 1.00 0.36 H new ATOM 0 HB THR A 97 -10.674 8.945 2.886 1.00 0.34 H new ATOM 0 HG1 THR A 97 -13.362 9.870 3.319 1.00 0.43 H new ATOM 0 HG21 THR A 97 -11.351 10.327 0.959 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.263 8.599 0.542 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.844 9.371 0.807 1.00 0.35 H new