USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 541 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 42 GLN : amide:sc= -0.0664 K(o=-9.1,f=-13!) USER MOD Set 1.2: A 73 GLN : amide:sc= -8.99! C(o=-9.1!,f=-11!) USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= 0.0621 USER MOD Set 2.2: A 60 ASN : amide:sc= -13.8! C(o=-14!,f=-19!) USER MOD Set 3.1: A 29 LYS NZ :NH3+ -144:sc= 1.02 (180deg=-0.262) USER MOD Set 3.2: A 54 ASN : amide:sc= -1.74! C(o=-0.72!,f=-11!) USER MOD Set 4.1: A 21 SER OG : rot 159:sc= -1.64 USER MOD Set 4.2: A 59 GLN : amide:sc= -2.92 K(o=-4.6,f=-8.7!) USER MOD Single : A 3 MET CE :methyl -147:sc= -0.136 (180deg=-0.842) USER MOD Single : A 23 THR OG1 : rot -56:sc= -6.3! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.323 F(o=-1.3,f=-0.32) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0599 K(o=-0.06,f=-0.83) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -4.16! C(o=-4.2!,f=-4.5!) USER MOD Single : A 61 CYS SG : rot -34:sc= -2.97! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 66 GLN : amide:sc= -0.056 K(o=-0.056,f=-1.3!) USER MOD Single : A 67 SER OG : rot -74:sc= -0.793! USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 27 N MET A 3 7.181 -10.268 25.091 1.00 0.00 N ATOM 28 CA MET A 3 5.910 -10.468 25.831 1.00 0.00 C ATOM 29 C MET A 3 4.702 -10.228 24.926 1.00 0.00 C ATOM 30 O MET A 3 4.809 -9.754 23.802 1.00 0.00 O ATOM 31 CB MET A 3 5.859 -9.491 27.003 1.00 0.00 C ATOM 32 CG MET A 3 4.882 -9.992 28.067 1.00 0.00 C ATOM 33 SD MET A 3 5.709 -10.016 29.678 1.00 0.00 S ATOM 34 CE MET A 3 6.910 -11.314 29.292 1.00 0.00 C ATOM 0 HA MET A 3 5.874 -11.497 26.188 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.853 -9.379 27.436 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.551 -8.506 26.652 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.005 -9.345 28.105 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.530 -10.991 27.812 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.116 -11.898 30.189 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.504 -11.967 28.519 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.834 -10.860 28.935 1.00 0.00 H new ATOM 44 N ILE A 4 3.552 -10.558 25.433 1.00 0.00 N ATOM 45 CA ILE A 4 2.293 -10.363 24.682 1.00 0.00 C ATOM 46 C ILE A 4 1.898 -8.889 24.735 1.00 0.00 C ATOM 47 O ILE A 4 1.975 -8.256 25.769 1.00 0.00 O ATOM 48 CB ILE A 4 1.191 -11.167 25.367 1.00 0.00 C ATOM 49 CG1 ILE A 4 0.491 -12.086 24.366 1.00 0.00 C ATOM 50 CG2 ILE A 4 0.168 -10.189 25.932 1.00 0.00 C ATOM 51 CD1 ILE A 4 1.462 -13.137 23.844 1.00 0.00 C ATOM 0 H ILE A 4 3.432 -10.965 26.361 1.00 0.00 H new ATOM 0 HA ILE A 4 2.428 -10.683 23.649 1.00 0.00 H new ATOM 0 HB ILE A 4 1.630 -11.778 26.156 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.360 -12.572 24.842 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.099 -11.499 23.535 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.630 -10.743 26.427 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.653 -9.530 26.652 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.252 -9.593 25.122 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.950 -13.784 23.132 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.299 -12.645 23.349 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.833 -13.735 24.676 1.00 0.00 H new ATOM 63 N VAL A 5 1.427 -8.344 23.656 1.00 0.00 N ATOM 64 CA VAL A 5 0.969 -6.941 23.696 1.00 0.00 C ATOM 65 C VAL A 5 -0.532 -6.996 23.924 1.00 0.00 C ATOM 66 O VAL A 5 -1.179 -7.961 23.569 1.00 0.00 O ATOM 67 CB VAL A 5 1.253 -6.230 22.377 1.00 0.00 C ATOM 68 CG1 VAL A 5 1.733 -4.807 22.664 1.00 0.00 C ATOM 69 CG2 VAL A 5 2.334 -6.985 21.597 1.00 0.00 C ATOM 0 H VAL A 5 1.340 -8.809 22.752 1.00 0.00 H new ATOM 0 HA VAL A 5 1.489 -6.391 24.480 1.00 0.00 H new ATOM 0 HB VAL A 5 0.340 -6.199 21.782 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.937 -4.295 21.724 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.961 -4.266 23.211 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.644 -4.844 23.262 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.530 -6.470 20.656 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.249 -7.023 22.188 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.992 -7.999 21.391 1.00 0.00 H new ATOM 79 N PHE A 6 -1.104 -5.995 24.508 1.00 0.00 N ATOM 80 CA PHE A 6 -2.567 -6.046 24.738 1.00 0.00 C ATOM 81 C PHE A 6 -3.281 -5.417 23.557 1.00 0.00 C ATOM 82 O PHE A 6 -3.245 -4.226 23.367 1.00 0.00 O ATOM 83 CB PHE A 6 -2.932 -5.291 26.010 1.00 0.00 C ATOM 84 CG PHE A 6 -4.280 -5.783 26.475 1.00 0.00 C ATOM 85 CD1 PHE A 6 -4.518 -7.159 26.580 1.00 0.00 C ATOM 86 CD2 PHE A 6 -5.293 -4.870 26.792 1.00 0.00 C ATOM 87 CE1 PHE A 6 -5.767 -7.623 27.005 1.00 0.00 C ATOM 88 CE2 PHE A 6 -6.544 -5.334 27.217 1.00 0.00 C ATOM 89 CZ PHE A 6 -6.781 -6.711 27.324 1.00 0.00 C ATOM 0 H PHE A 6 -0.632 -5.151 24.834 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.872 -7.087 24.847 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.179 -5.457 26.781 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.963 -4.218 25.820 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.737 -7.862 26.333 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.110 -3.809 26.709 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.950 -8.684 27.087 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.326 -4.631 27.462 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.746 -7.069 27.652 1.00 0.00 H new ATOM 99 N VAL A 7 -3.930 -6.207 22.758 1.00 0.00 N ATOM 100 CA VAL A 7 -4.642 -5.639 21.587 1.00 0.00 C ATOM 101 C VAL A 7 -6.097 -5.393 21.943 1.00 0.00 C ATOM 102 O VAL A 7 -6.871 -6.320 22.087 1.00 0.00 O ATOM 103 CB VAL A 7 -4.574 -6.618 20.413 1.00 0.00 C ATOM 104 CG1 VAL A 7 -5.833 -6.472 19.544 1.00 0.00 C ATOM 105 CG2 VAL A 7 -3.329 -6.303 19.577 1.00 0.00 C ATOM 0 H VAL A 7 -3.999 -7.219 22.864 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.168 -4.699 21.307 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.518 -7.640 20.787 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.782 -7.170 18.709 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.717 -6.689 20.144 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.895 -5.453 19.162 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.270 -6.995 18.737 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.391 -5.281 19.202 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.438 -6.408 20.197 1.00 0.00 H new ATOM 115 N ARG A 8 -6.504 -4.161 22.041 1.00 0.00 N ATOM 116 CA ARG A 8 -7.929 -3.923 22.330 1.00 0.00 C ATOM 117 C ARG A 8 -8.659 -4.134 21.007 1.00 0.00 C ATOM 118 O ARG A 8 -8.775 -3.240 20.193 1.00 0.00 O ATOM 119 CB ARG A 8 -8.148 -2.495 22.849 1.00 0.00 C ATOM 120 CG ARG A 8 -7.000 -2.081 23.784 1.00 0.00 C ATOM 121 CD ARG A 8 -7.053 -2.898 25.079 1.00 0.00 C ATOM 122 NE ARG A 8 -8.271 -2.531 25.856 1.00 0.00 N ATOM 123 CZ ARG A 8 -8.197 -1.647 26.815 1.00 0.00 C ATOM 124 NH1 ARG A 8 -7.687 -1.974 27.973 1.00 0.00 N ATOM 125 NH2 ARG A 8 -8.634 -0.433 26.616 1.00 0.00 N ATOM 0 H ARG A 8 -5.922 -3.330 21.935 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.298 -4.596 23.104 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.210 -1.802 22.010 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.098 -2.437 23.381 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.042 -2.235 23.287 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.073 -1.018 24.013 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.065 -3.963 24.848 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.160 -2.711 25.675 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.165 -2.971 25.638 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.345 -2.922 28.130 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.631 -1.281 28.719 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.032 -0.176 25.713 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.577 0.258 27.364 1.00 0.00 H new ATOM 139 N PHE A 9 -9.126 -5.330 20.788 1.00 0.00 N ATOM 140 CA PHE A 9 -9.820 -5.664 19.515 1.00 0.00 C ATOM 141 C PHE A 9 -11.173 -4.949 19.481 1.00 0.00 C ATOM 142 O PHE A 9 -12.064 -5.253 20.251 1.00 0.00 O ATOM 143 CB PHE A 9 -10.058 -7.172 19.498 1.00 0.00 C ATOM 144 CG PHE A 9 -9.259 -7.903 18.434 1.00 0.00 C ATOM 145 CD1 PHE A 9 -8.802 -7.292 17.238 1.00 0.00 C ATOM 146 CD2 PHE A 9 -9.001 -9.262 18.655 1.00 0.00 C ATOM 147 CE1 PHE A 9 -8.110 -8.059 16.309 1.00 0.00 C ATOM 148 CE2 PHE A 9 -8.306 -10.016 17.711 1.00 0.00 C ATOM 149 CZ PHE A 9 -7.866 -9.417 16.535 1.00 0.00 C ATOM 0 H PHE A 9 -9.055 -6.103 21.449 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.222 -5.355 18.658 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.805 -7.582 20.476 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.119 -7.362 19.338 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.989 -6.245 17.052 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.344 -9.730 19.566 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.755 -7.599 15.398 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.110 -11.062 17.892 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.336 -10.001 15.797 1.00 0.00 H new ATOM 223 N PHE A 15 -7.673 -9.338 22.637 1.00 0.00 N ATOM 224 CA PHE A 15 -6.897 -10.589 22.439 1.00 0.00 C ATOM 225 C PHE A 15 -5.396 -10.283 22.549 1.00 0.00 C ATOM 226 O PHE A 15 -4.924 -9.301 22.013 1.00 0.00 O ATOM 227 CB PHE A 15 -7.217 -11.154 21.056 1.00 0.00 C ATOM 228 CG PHE A 15 -6.057 -10.899 20.138 1.00 0.00 C ATOM 229 CD1 PHE A 15 -5.021 -11.835 20.061 1.00 0.00 C ATOM 230 CD2 PHE A 15 -6.003 -9.723 19.378 1.00 0.00 C ATOM 231 CE1 PHE A 15 -3.929 -11.601 19.223 1.00 0.00 C ATOM 232 CE2 PHE A 15 -4.908 -9.490 18.545 1.00 0.00 C ATOM 233 CZ PHE A 15 -3.873 -10.429 18.463 1.00 0.00 C ATOM 0 HA PHE A 15 -7.164 -11.320 23.202 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.414 -12.224 21.124 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.119 -10.688 20.660 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.066 -12.739 20.650 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.804 -9.001 19.437 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.129 -12.324 19.162 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.859 -8.582 17.962 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.030 -10.248 17.812 1.00 0.00 H new ATOM 243 N PRO A 16 -4.693 -11.135 23.254 1.00 0.00 N ATOM 244 CA PRO A 16 -3.242 -10.987 23.467 1.00 0.00 C ATOM 245 C PRO A 16 -2.455 -11.456 22.240 1.00 0.00 C ATOM 246 O PRO A 16 -2.687 -12.525 21.710 1.00 0.00 O ATOM 247 CB PRO A 16 -2.961 -11.903 24.660 1.00 0.00 C ATOM 248 CG PRO A 16 -4.115 -12.932 24.705 1.00 0.00 C ATOM 249 CD PRO A 16 -5.280 -12.324 23.904 1.00 0.00 C ATOM 0 HA PRO A 16 -2.947 -9.952 23.638 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.999 -12.403 24.547 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.915 -11.330 25.586 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.803 -13.883 24.273 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.415 -13.132 25.734 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.668 -13.029 23.169 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.111 -12.052 24.555 1.00 0.00 H new ATOM 257 N VAL A 17 -1.518 -10.666 21.791 1.00 0.00 N ATOM 258 CA VAL A 17 -0.702 -11.061 20.607 1.00 0.00 C ATOM 259 C VAL A 17 0.747 -11.274 21.049 1.00 0.00 C ATOM 260 O VAL A 17 1.206 -10.664 21.983 1.00 0.00 O ATOM 261 CB VAL A 17 -0.748 -9.935 19.576 1.00 0.00 C ATOM 262 CG1 VAL A 17 -0.375 -8.617 20.253 1.00 0.00 C ATOM 263 CG2 VAL A 17 0.247 -10.231 18.451 1.00 0.00 C ATOM 0 H VAL A 17 -1.281 -9.760 22.195 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.096 -11.980 20.173 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.753 -9.861 19.160 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.406 -7.810 19.521 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.083 -8.407 21.055 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.631 -8.692 20.667 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.214 -9.427 17.715 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.253 -10.303 18.865 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.016 -11.173 17.971 1.00 0.00 H new ATOM 273 N GLU A 18 1.479 -12.123 20.390 1.00 0.00 N ATOM 274 CA GLU A 18 2.898 -12.336 20.798 1.00 0.00 C ATOM 275 C GLU A 18 3.808 -11.580 19.829 1.00 0.00 C ATOM 276 O GLU A 18 3.804 -11.837 18.642 1.00 0.00 O ATOM 277 CB GLU A 18 3.224 -13.831 20.753 1.00 0.00 C ATOM 278 CG GLU A 18 4.173 -14.186 21.901 1.00 0.00 C ATOM 279 CD GLU A 18 3.427 -15.019 22.947 1.00 0.00 C ATOM 280 OE1 GLU A 18 2.375 -15.545 22.617 1.00 0.00 O ATOM 281 OE2 GLU A 18 3.921 -15.121 24.057 1.00 0.00 O ATOM 0 H GLU A 18 1.163 -12.676 19.593 1.00 0.00 H new ATOM 0 HA GLU A 18 3.053 -11.968 21.812 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.307 -14.416 20.832 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.683 -14.085 19.797 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.028 -14.744 21.520 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.564 -13.277 22.357 1.00 0.00 H new ATOM 288 N VAL A 19 4.585 -10.639 20.308 1.00 0.00 N ATOM 289 CA VAL A 19 5.468 -9.887 19.365 1.00 0.00 C ATOM 290 C VAL A 19 6.797 -9.557 20.033 1.00 0.00 C ATOM 291 O VAL A 19 6.916 -9.531 21.241 1.00 0.00 O ATOM 292 CB VAL A 19 4.796 -8.572 18.938 1.00 0.00 C ATOM 293 CG1 VAL A 19 3.304 -8.609 19.283 1.00 0.00 C ATOM 294 CG2 VAL A 19 5.458 -7.405 19.676 1.00 0.00 C ATOM 0 H VAL A 19 4.646 -10.364 21.288 1.00 0.00 H new ATOM 0 HA VAL A 19 5.640 -10.515 18.491 1.00 0.00 H new ATOM 0 HB VAL A 19 4.910 -8.444 17.862 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.836 -7.673 18.977 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.830 -9.440 18.760 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.182 -8.741 20.358 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.985 -6.470 19.377 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.343 -7.542 20.751 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.518 -7.371 19.426 1.00 0.00 H new ATOM 304 N ASP A 20 7.792 -9.283 19.243 1.00 0.00 N ATOM 305 CA ASP A 20 9.118 -8.923 19.801 1.00 0.00 C ATOM 306 C ASP A 20 9.288 -7.407 19.694 1.00 0.00 C ATOM 307 O ASP A 20 8.442 -6.716 19.166 1.00 0.00 O ATOM 308 CB ASP A 20 10.226 -9.622 19.007 1.00 0.00 C ATOM 309 CG ASP A 20 9.766 -11.025 18.607 1.00 0.00 C ATOM 310 OD1 ASP A 20 9.200 -11.704 19.450 1.00 0.00 O ATOM 311 OD2 ASP A 20 9.990 -11.398 17.469 1.00 0.00 O ATOM 0 H ASP A 20 7.742 -9.293 18.224 1.00 0.00 H new ATOM 0 HA ASP A 20 9.182 -9.239 20.842 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.471 -9.042 18.117 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.134 -9.684 19.607 1.00 0.00 H new ATOM 316 N SER A 21 10.371 -6.883 20.187 1.00 0.00 N ATOM 317 CA SER A 21 10.591 -5.411 20.108 1.00 0.00 C ATOM 318 C SER A 21 10.895 -5.005 18.662 1.00 0.00 C ATOM 319 O SER A 21 11.141 -3.851 18.373 1.00 0.00 O ATOM 320 CB SER A 21 11.782 -5.043 20.983 1.00 0.00 C ATOM 321 OG SER A 21 11.414 -5.152 22.353 1.00 0.00 O ATOM 0 H SER A 21 11.117 -7.409 20.643 1.00 0.00 H new ATOM 0 HA SER A 21 9.694 -4.893 20.448 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.623 -5.702 20.767 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.109 -4.027 20.763 1.00 0.00 H new ATOM 0 HG SER A 21 12.220 -5.251 22.901 1.00 0.00 H new ATOM 327 N ASP A 22 10.903 -5.943 17.757 1.00 0.00 N ATOM 328 CA ASP A 22 11.221 -5.603 16.341 1.00 0.00 C ATOM 329 C ASP A 22 9.984 -5.738 15.440 1.00 0.00 C ATOM 330 O ASP A 22 10.012 -5.325 14.298 1.00 0.00 O ATOM 331 CB ASP A 22 12.318 -6.540 15.831 1.00 0.00 C ATOM 332 CG ASP A 22 12.019 -7.969 16.285 1.00 0.00 C ATOM 333 OD1 ASP A 22 11.053 -8.534 15.800 1.00 0.00 O ATOM 334 OD2 ASP A 22 12.761 -8.474 17.111 1.00 0.00 O ATOM 0 H ASP A 22 10.704 -6.927 17.935 1.00 0.00 H new ATOM 0 HA ASP A 22 11.558 -4.567 16.307 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.372 -6.496 14.743 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.289 -6.222 16.211 1.00 0.00 H new ATOM 339 N THR A 23 8.900 -6.301 15.921 1.00 0.00 N ATOM 340 CA THR A 23 7.698 -6.426 15.042 1.00 0.00 C ATOM 341 C THR A 23 7.473 -5.081 14.332 1.00 0.00 C ATOM 342 O THR A 23 7.532 -4.030 14.938 1.00 0.00 O ATOM 343 CB THR A 23 6.477 -6.833 15.885 1.00 0.00 C ATOM 344 OG1 THR A 23 6.905 -7.190 17.190 1.00 0.00 O ATOM 345 CG2 THR A 23 5.797 -8.037 15.235 1.00 0.00 C ATOM 0 H THR A 23 8.797 -6.672 16.866 1.00 0.00 H new ATOM 0 HA THR A 23 7.849 -7.200 14.290 1.00 0.00 H new ATOM 0 HB THR A 23 5.777 -5.999 15.943 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.577 -7.901 17.131 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.931 -8.330 15.828 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.474 -7.773 14.228 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.500 -8.868 15.184 1.00 0.00 H new ATOM 353 N SER A 24 7.268 -5.111 13.035 1.00 0.00 N ATOM 354 CA SER A 24 7.096 -3.841 12.256 1.00 0.00 C ATOM 355 C SER A 24 5.721 -3.213 12.490 1.00 0.00 C ATOM 356 O SER A 24 5.368 -2.238 11.864 1.00 0.00 O ATOM 357 CB SER A 24 7.243 -4.143 10.773 1.00 0.00 C ATOM 358 OG SER A 24 8.410 -4.926 10.560 1.00 0.00 O ATOM 0 H SER A 24 7.212 -5.965 12.480 1.00 0.00 H new ATOM 0 HA SER A 24 7.858 -3.137 12.592 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.364 -4.676 10.411 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.308 -3.214 10.207 1.00 0.00 H new ATOM 0 HG SER A 24 8.503 -5.121 9.604 1.00 0.00 H new ATOM 364 N ILE A 25 4.971 -3.753 13.392 1.00 0.00 N ATOM 365 CA ILE A 25 3.626 -3.208 13.728 1.00 0.00 C ATOM 366 C ILE A 25 2.594 -3.482 12.623 1.00 0.00 C ATOM 367 O ILE A 25 1.441 -3.685 12.922 1.00 0.00 O ATOM 368 CB ILE A 25 3.763 -1.717 13.973 1.00 0.00 C ATOM 369 CG1 ILE A 25 4.612 -1.487 15.222 1.00 0.00 C ATOM 370 CG2 ILE A 25 2.387 -1.066 14.147 1.00 0.00 C ATOM 371 CD1 ILE A 25 4.143 -2.410 16.353 1.00 0.00 C ATOM 0 H ILE A 25 5.237 -4.577 13.932 1.00 0.00 H new ATOM 0 HA ILE A 25 3.258 -3.709 14.623 1.00 0.00 H new ATOM 0 HB ILE A 25 4.248 -1.260 13.110 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.662 -1.677 14.998 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.537 -0.446 15.536 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.510 0.003 14.322 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.795 -1.221 13.245 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.876 -1.516 14.998 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.754 -2.239 17.239 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.099 -2.199 16.586 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.242 -3.449 16.039 1.00 0.00 H new ATOM 383 N LEU A 26 2.956 -3.561 11.366 1.00 0.00 N ATOM 384 CA LEU A 26 1.919 -3.900 10.367 1.00 0.00 C ATOM 385 C LEU A 26 1.828 -5.401 10.449 1.00 0.00 C ATOM 386 O LEU A 26 0.777 -5.995 10.383 1.00 0.00 O ATOM 387 CB LEU A 26 2.310 -3.436 8.969 1.00 0.00 C ATOM 388 CG LEU A 26 1.461 -4.172 7.934 1.00 0.00 C ATOM 389 CD1 LEU A 26 2.051 -5.561 7.726 1.00 0.00 C ATOM 390 CD2 LEU A 26 -0.002 -4.281 8.417 1.00 0.00 C ATOM 0 H LEU A 26 3.897 -3.409 11.004 1.00 0.00 H new ATOM 0 HA LEU A 26 0.967 -3.408 10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.163 -2.360 8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.368 -3.630 8.792 1.00 0.00 H new ATOM 0 HG LEU A 26 1.466 -3.621 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.457 -6.102 6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.077 -5.471 7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.042 -6.105 8.670 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.594 -4.808 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.035 -4.830 9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.411 -3.282 8.566 1.00 0.00 H new ATOM 402 N GLN A 27 2.963 -5.997 10.675 1.00 0.00 N ATOM 403 CA GLN A 27 3.036 -7.452 10.868 1.00 0.00 C ATOM 404 C GLN A 27 2.152 -7.730 12.072 1.00 0.00 C ATOM 405 O GLN A 27 1.425 -8.700 12.141 1.00 0.00 O ATOM 406 CB GLN A 27 4.491 -7.787 11.184 1.00 0.00 C ATOM 407 CG GLN A 27 5.065 -8.694 10.092 1.00 0.00 C ATOM 408 CD GLN A 27 4.262 -9.995 10.023 1.00 0.00 C ATOM 409 OE1 GLN A 27 3.684 -10.452 11.102 1.00 0.00 O flip ATOM 410 NE2 GLN A 27 4.161 -10.605 8.977 1.00 0.00 N flip ATOM 0 H GLN A 27 3.860 -5.516 10.734 1.00 0.00 H new ATOM 0 HA GLN A 27 2.716 -8.036 10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.077 -6.871 11.254 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.557 -8.282 12.153 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.032 -8.184 9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.112 -8.913 10.302 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.612 -10.250 8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.626 -11.472 8.942 1.00 0.00 H new ATOM 419 N LEU A 28 2.181 -6.806 12.991 1.00 0.00 N ATOM 420 CA LEU A 28 1.319 -6.882 14.190 1.00 0.00 C ATOM 421 C LEU A 28 -0.119 -6.809 13.682 1.00 0.00 C ATOM 422 O LEU A 28 -1.000 -7.508 14.143 1.00 0.00 O ATOM 423 CB LEU A 28 1.643 -5.658 15.067 1.00 0.00 C ATOM 424 CG LEU A 28 1.007 -5.774 16.443 1.00 0.00 C ATOM 425 CD1 LEU A 28 -0.486 -6.004 16.292 1.00 0.00 C ATOM 426 CD2 LEU A 28 1.646 -6.934 17.192 1.00 0.00 C ATOM 0 H LEU A 28 2.783 -5.983 12.955 1.00 0.00 H new ATOM 0 HA LEU A 28 1.470 -7.790 14.773 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.724 -5.560 15.172 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.287 -4.753 14.576 1.00 0.00 H new ATOM 0 HG LEU A 28 1.166 -4.854 17.006 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.943 -6.087 17.278 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.931 -5.166 15.756 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.658 -6.924 15.734 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.194 -7.022 18.180 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.487 -7.858 16.636 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.716 -6.754 17.297 1.00 0.00 H new ATOM 438 N LYS A 29 -0.340 -5.963 12.715 1.00 0.00 N ATOM 439 CA LYS A 29 -1.697 -5.816 12.128 1.00 0.00 C ATOM 440 C LYS A 29 -2.036 -7.082 11.339 1.00 0.00 C ATOM 441 O LYS A 29 -3.187 -7.372 11.088 1.00 0.00 O ATOM 442 CB LYS A 29 -1.719 -4.606 11.185 1.00 0.00 C ATOM 443 CG LYS A 29 -1.990 -3.324 11.981 1.00 0.00 C ATOM 444 CD LYS A 29 -0.900 -2.289 11.682 1.00 0.00 C ATOM 445 CE LYS A 29 -1.029 -1.077 12.609 1.00 0.00 C ATOM 446 NZ LYS A 29 -0.276 0.068 12.024 1.00 0.00 N ATOM 0 H LYS A 29 0.372 -5.361 12.303 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.429 -5.667 12.922 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.766 -4.525 10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.488 -4.741 10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.968 -2.922 11.719 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.012 -3.545 13.048 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.083 -2.744 11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.974 -1.967 10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.078 -0.811 12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.639 -1.317 13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.163 0.621 12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.464 -0.292 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.928 0.675 11.488 1.00 0.00 H new ATOM 460 N GLU A 30 -1.043 -7.839 10.944 1.00 0.00 N ATOM 461 CA GLU A 30 -1.321 -9.080 10.170 1.00 0.00 C ATOM 462 C GLU A 30 -1.858 -10.154 11.114 1.00 0.00 C ATOM 463 O GLU A 30 -2.876 -10.752 10.852 1.00 0.00 O ATOM 464 CB GLU A 30 -0.032 -9.586 9.512 1.00 0.00 C ATOM 465 CG GLU A 30 0.250 -8.780 8.243 1.00 0.00 C ATOM 466 CD GLU A 30 0.752 -9.716 7.141 1.00 0.00 C ATOM 467 OE1 GLU A 30 0.798 -10.913 7.381 1.00 0.00 O ATOM 468 OE2 GLU A 30 1.085 -9.221 6.078 1.00 0.00 O ATOM 0 H GLU A 30 -0.057 -7.650 11.125 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.058 -8.862 9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.803 -9.493 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.128 -10.644 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.656 -8.269 7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.994 -8.010 8.447 1.00 0.00 H new ATOM 475 N VAL A 31 -1.177 -10.388 12.212 1.00 0.00 N ATOM 476 CA VAL A 31 -1.635 -11.422 13.196 1.00 0.00 C ATOM 477 C VAL A 31 -2.959 -10.989 13.807 1.00 0.00 C ATOM 478 O VAL A 31 -3.907 -11.749 13.862 1.00 0.00 O ATOM 479 CB VAL A 31 -0.593 -11.547 14.306 1.00 0.00 C ATOM 480 CG1 VAL A 31 -1.263 -12.089 15.569 1.00 0.00 C ATOM 481 CG2 VAL A 31 0.514 -12.504 13.860 1.00 0.00 C ATOM 0 H VAL A 31 -0.317 -9.903 12.470 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.761 -12.379 12.690 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.161 -10.568 14.515 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.522 -12.180 16.364 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.052 -11.406 15.884 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.693 -13.069 15.361 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.258 -12.594 14.651 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.085 -13.484 13.652 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.988 -12.117 12.958 1.00 0.00 H new ATOM 491 N VAL A 32 -3.046 -9.769 14.248 1.00 0.00 N ATOM 492 CA VAL A 32 -4.325 -9.295 14.822 1.00 0.00 C ATOM 493 C VAL A 32 -5.351 -9.374 13.709 1.00 0.00 C ATOM 494 O VAL A 32 -6.511 -9.661 13.921 1.00 0.00 O ATOM 495 CB VAL A 32 -4.173 -7.848 15.290 1.00 0.00 C ATOM 496 CG1 VAL A 32 -5.513 -7.327 15.824 1.00 0.00 C ATOM 497 CG2 VAL A 32 -3.111 -7.795 16.384 1.00 0.00 C ATOM 0 H VAL A 32 -2.290 -9.085 14.235 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.626 -9.898 15.679 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.868 -7.218 14.454 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.396 -6.295 16.156 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.262 -7.371 15.033 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.835 -7.944 16.663 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.993 -6.767 16.727 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.418 -8.423 17.220 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.162 -8.157 15.988 1.00 0.00 H new ATOM 507 N ALA A 33 -4.912 -9.127 12.506 1.00 0.00 N ATOM 508 CA ALA A 33 -5.836 -9.191 11.352 1.00 0.00 C ATOM 509 C ALA A 33 -6.328 -10.636 11.199 1.00 0.00 C ATOM 510 O ALA A 33 -7.421 -10.888 10.735 1.00 0.00 O ATOM 511 CB ALA A 33 -5.092 -8.761 10.075 1.00 0.00 C ATOM 0 H ALA A 33 -3.948 -8.883 12.277 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.683 -8.524 11.513 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.772 -8.808 9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.728 -7.740 10.192 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.249 -9.430 9.903 1.00 0.00 H new ATOM 517 N LYS A 34 -5.515 -11.584 11.590 1.00 0.00 N ATOM 518 CA LYS A 34 -5.912 -13.024 11.475 1.00 0.00 C ATOM 519 C LYS A 34 -7.107 -13.301 12.381 1.00 0.00 C ATOM 520 O LYS A 34 -8.116 -13.833 11.965 1.00 0.00 O ATOM 521 CB LYS A 34 -4.761 -13.923 11.947 1.00 0.00 C ATOM 522 CG LYS A 34 -3.445 -13.445 11.368 1.00 0.00 C ATOM 523 CD LYS A 34 -3.504 -13.486 9.839 1.00 0.00 C ATOM 524 CE LYS A 34 -3.058 -14.868 9.355 1.00 0.00 C ATOM 525 NZ LYS A 34 -4.128 -15.470 8.511 1.00 0.00 N ATOM 0 H LYS A 34 -4.589 -11.424 11.986 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.158 -13.230 10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.710 -13.917 13.036 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.947 -14.953 11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.236 -12.430 11.706 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.630 -14.074 11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.518 -13.277 9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.860 -12.714 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.134 -14.784 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.847 -15.513 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.824 -16.409 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.000 -15.564 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.308 -14.858 7.690 1.00 0.00 H new ATOM 539 N ARG A 35 -6.967 -12.971 13.628 1.00 0.00 N ATOM 540 CA ARG A 35 -8.058 -13.233 14.614 1.00 0.00 C ATOM 541 C ARG A 35 -9.313 -12.416 14.296 1.00 0.00 C ATOM 542 O ARG A 35 -10.416 -12.826 14.596 1.00 0.00 O ATOM 543 CB ARG A 35 -7.562 -12.859 16.008 1.00 0.00 C ATOM 544 CG ARG A 35 -6.719 -14.002 16.568 1.00 0.00 C ATOM 545 CD ARG A 35 -5.235 -13.647 16.457 1.00 0.00 C ATOM 546 NE ARG A 35 -4.424 -14.732 17.077 1.00 0.00 N ATOM 547 CZ ARG A 35 -3.276 -15.070 16.559 1.00 0.00 C ATOM 548 NH1 ARG A 35 -3.236 -15.811 15.487 1.00 0.00 N ATOM 549 NH2 ARG A 35 -2.166 -14.662 17.112 1.00 0.00 N ATOM 0 H ARG A 35 -6.136 -12.525 14.017 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.319 -14.290 14.564 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.971 -11.944 15.963 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.408 -12.660 16.666 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.983 -14.185 17.610 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.925 -14.922 16.020 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.956 -13.521 15.411 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.037 -12.698 16.956 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.768 -15.212 17.909 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.103 -16.127 15.053 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.338 -16.075 15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.197 -14.079 17.949 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.268 -14.926 16.707 1.00 0.00 H new ATOM 563 N GLN A 36 -9.169 -11.262 13.715 1.00 0.00 N ATOM 564 CA GLN A 36 -10.374 -10.437 13.417 1.00 0.00 C ATOM 565 C GLN A 36 -11.040 -10.921 12.131 1.00 0.00 C ATOM 566 O GLN A 36 -12.098 -10.455 11.761 1.00 0.00 O ATOM 567 CB GLN A 36 -9.957 -8.977 13.239 1.00 0.00 C ATOM 568 CG GLN A 36 -10.235 -8.205 14.528 1.00 0.00 C ATOM 569 CD GLN A 36 -11.658 -7.644 14.497 1.00 0.00 C ATOM 570 OE1 GLN A 36 -12.617 -8.387 14.549 1.00 0.00 O ATOM 571 NE2 GLN A 36 -11.835 -6.354 14.414 1.00 0.00 N ATOM 0 H GLN A 36 -8.277 -10.854 13.434 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.078 -10.529 14.244 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.898 -8.918 12.989 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.505 -8.530 12.410 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.111 -8.861 15.390 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.516 -7.393 14.639 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.029 -5.730 14.370 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.779 -5.969 14.393 1.00 0.00 H new ATOM 580 N GLY A 37 -10.422 -11.826 11.430 1.00 0.00 N ATOM 581 CA GLY A 37 -11.022 -12.296 10.152 1.00 0.00 C ATOM 582 C GLY A 37 -10.929 -11.144 9.157 1.00 0.00 C ATOM 583 O GLY A 37 -11.605 -11.105 8.149 1.00 0.00 O ATOM 0 H GLY A 37 -9.534 -12.259 11.683 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.491 -13.171 9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.060 -12.592 10.301 1.00 0.00 H new ATOM 587 N VAL A 38 -10.088 -10.194 9.462 1.00 0.00 N ATOM 588 CA VAL A 38 -9.913 -9.009 8.590 1.00 0.00 C ATOM 589 C VAL A 38 -8.436 -8.870 8.251 1.00 0.00 C ATOM 590 O VAL A 38 -7.584 -9.386 8.945 1.00 0.00 O ATOM 591 CB VAL A 38 -10.384 -7.779 9.361 1.00 0.00 C ATOM 592 CG1 VAL A 38 -11.815 -8.010 9.850 1.00 0.00 C ATOM 593 CG2 VAL A 38 -9.468 -7.571 10.569 1.00 0.00 C ATOM 0 H VAL A 38 -9.504 -10.194 10.299 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.488 -9.112 7.670 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.354 -6.901 8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.157 -7.134 10.402 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.469 -8.178 8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.840 -8.883 10.503 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.796 -6.694 11.127 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.511 -8.449 11.214 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.444 -7.422 10.227 1.00 0.00 H new ATOM 603 N PRO A 39 -8.191 -8.181 7.183 1.00 0.00 N ATOM 604 CA PRO A 39 -6.834 -7.938 6.678 1.00 0.00 C ATOM 605 C PRO A 39 -6.138 -6.831 7.478 1.00 0.00 C ATOM 606 O PRO A 39 -6.745 -5.856 7.876 1.00 0.00 O ATOM 607 CB PRO A 39 -7.072 -7.507 5.227 1.00 0.00 C ATOM 608 CG PRO A 39 -8.534 -6.996 5.158 1.00 0.00 C ATOM 609 CD PRO A 39 -9.263 -7.579 6.375 1.00 0.00 C ATOM 0 HA PRO A 39 -6.184 -8.809 6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.372 -6.724 4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.920 -8.342 4.543 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.564 -5.907 5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.012 -7.314 4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.793 -6.805 6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.003 -8.322 6.078 1.00 0.00 H new ATOM 617 N ALA A 40 -4.855 -6.975 7.695 1.00 0.00 N ATOM 618 CA ALA A 40 -4.088 -5.940 8.450 1.00 0.00 C ATOM 619 C ALA A 40 -4.388 -4.562 7.867 1.00 0.00 C ATOM 620 O ALA A 40 -4.192 -3.549 8.506 1.00 0.00 O ATOM 621 CB ALA A 40 -2.603 -6.233 8.308 1.00 0.00 C ATOM 0 H ALA A 40 -4.303 -7.772 7.379 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.374 -5.958 9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.030 -5.484 8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.387 -7.222 8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.325 -6.204 7.254 1.00 0.00 H new ATOM 627 N ASP A 41 -4.861 -4.517 6.654 1.00 0.00 N ATOM 628 CA ASP A 41 -5.174 -3.206 6.028 1.00 0.00 C ATOM 629 C ASP A 41 -6.253 -2.493 6.850 1.00 0.00 C ATOM 630 O ASP A 41 -6.022 -1.444 7.415 1.00 0.00 O ATOM 631 CB ASP A 41 -5.681 -3.432 4.603 1.00 0.00 C ATOM 632 CG ASP A 41 -4.494 -3.695 3.675 1.00 0.00 C ATOM 633 OD1 ASP A 41 -3.563 -4.350 4.110 1.00 0.00 O ATOM 634 OD2 ASP A 41 -4.539 -3.238 2.545 1.00 0.00 O ATOM 0 H ASP A 41 -5.044 -5.333 6.069 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.275 -2.591 6.000 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.369 -4.278 4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.237 -2.559 4.261 1.00 0.00 H new ATOM 639 N GLN A 42 -7.428 -3.062 6.933 1.00 0.00 N ATOM 640 CA GLN A 42 -8.514 -2.425 7.735 1.00 0.00 C ATOM 641 C GLN A 42 -8.056 -2.339 9.177 1.00 0.00 C ATOM 642 O GLN A 42 -8.145 -1.319 9.829 1.00 0.00 O ATOM 643 CB GLN A 42 -9.763 -3.305 7.696 1.00 0.00 C ATOM 644 CG GLN A 42 -10.132 -3.623 6.247 1.00 0.00 C ATOM 645 CD GLN A 42 -11.552 -4.188 6.198 1.00 0.00 C ATOM 646 OE1 GLN A 42 -11.756 -5.369 6.399 1.00 0.00 O ATOM 647 NE2 GLN A 42 -12.552 -3.388 5.940 1.00 0.00 N ATOM 0 H GLN A 42 -7.682 -3.940 6.480 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.736 -1.438 7.329 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.584 -4.229 8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.592 -2.796 8.188 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.066 -2.722 5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.428 -4.343 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.382 -2.397 5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.503 -3.755 5.907 1.00 0.00 H new ATOM 656 N LEU A 43 -7.579 -3.438 9.660 1.00 0.00 N ATOM 657 CA LEU A 43 -7.103 -3.544 11.057 1.00 0.00 C ATOM 658 C LEU A 43 -5.884 -2.653 11.281 1.00 0.00 C ATOM 659 O LEU A 43 -5.013 -2.564 10.438 1.00 0.00 O ATOM 660 CB LEU A 43 -6.687 -4.988 11.249 1.00 0.00 C ATOM 661 CG LEU A 43 -6.909 -5.416 12.678 1.00 0.00 C ATOM 662 CD1 LEU A 43 -8.298 -6.050 12.803 1.00 0.00 C ATOM 663 CD2 LEU A 43 -5.834 -6.434 13.014 1.00 0.00 C ATOM 0 H LEU A 43 -7.496 -4.302 9.124 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.883 -3.235 11.753 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.258 -5.630 10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.636 -5.108 10.986 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.855 -4.568 13.361 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.464 -6.362 13.834 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.057 -5.322 12.517 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.362 -6.918 12.147 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.960 -6.770 14.043 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.918 -7.287 12.341 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.851 -5.977 12.899 1.00 0.00 H new ATOM 675 N ARG A 44 -5.785 -2.009 12.417 1.00 0.00 N ATOM 676 CA ARG A 44 -4.584 -1.169 12.652 1.00 0.00 C ATOM 677 C ARG A 44 -4.319 -0.990 14.136 1.00 0.00 C ATOM 678 O ARG A 44 -5.091 -0.398 14.862 1.00 0.00 O ATOM 679 CB ARG A 44 -4.739 0.173 11.959 1.00 0.00 C ATOM 680 CG ARG A 44 -3.861 0.142 10.708 1.00 0.00 C ATOM 681 CD ARG A 44 -4.747 0.078 9.460 1.00 0.00 C ATOM 682 NE ARG A 44 -4.939 1.451 8.915 1.00 0.00 N ATOM 683 CZ ARG A 44 -4.646 1.705 7.667 1.00 0.00 C ATOM 684 NH1 ARG A 44 -3.428 2.039 7.338 1.00 0.00 N ATOM 685 NH2 ARG A 44 -5.569 1.619 6.748 1.00 0.00 N ATOM 0 H ARG A 44 -6.470 -2.030 13.173 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.720 -1.680 12.227 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.781 0.350 11.693 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.437 0.985 12.621 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.229 1.030 10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.196 -0.721 10.739 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.287 -0.562 8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.712 -0.364 9.708 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.299 2.193 9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.705 2.102 8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.199 2.237 6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.520 1.353 7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.339 1.817 5.774 1.00 0.00 H new ATOM 699 N VAL A 45 -3.213 -1.516 14.576 1.00 0.00 N ATOM 700 CA VAL A 45 -2.832 -1.432 16.004 1.00 0.00 C ATOM 701 C VAL A 45 -2.081 -0.136 16.286 1.00 0.00 C ATOM 702 O VAL A 45 -1.037 0.133 15.726 1.00 0.00 O ATOM 703 CB VAL A 45 -1.922 -2.608 16.337 1.00 0.00 C ATOM 704 CG1 VAL A 45 -2.093 -2.995 17.805 1.00 0.00 C ATOM 705 CG2 VAL A 45 -2.297 -3.790 15.449 1.00 0.00 C ATOM 0 H VAL A 45 -2.543 -2.012 13.988 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.736 -1.456 16.613 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.883 -2.329 16.163 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.440 -3.836 18.038 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.832 -2.147 18.438 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.129 -3.278 17.988 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.651 -4.637 15.679 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.336 -4.066 15.630 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.172 -3.513 14.402 1.00 0.00 H new ATOM 715 N ILE A 46 -2.596 0.647 17.177 1.00 0.00 N ATOM 716 CA ILE A 46 -1.926 1.912 17.553 1.00 0.00 C ATOM 717 C ILE A 46 -1.586 1.801 19.037 1.00 0.00 C ATOM 718 O ILE A 46 -2.214 1.060 19.747 1.00 0.00 O ATOM 719 CB ILE A 46 -2.873 3.073 17.266 1.00 0.00 C ATOM 720 CG1 ILE A 46 -3.120 3.124 15.750 1.00 0.00 C ATOM 721 CG2 ILE A 46 -2.243 4.387 17.732 1.00 0.00 C ATOM 722 CD1 ILE A 46 -4.520 3.678 15.480 1.00 0.00 C ATOM 0 H ILE A 46 -3.469 0.462 17.671 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.013 2.090 16.984 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.813 2.932 17.799 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.370 3.752 15.269 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.023 2.127 15.321 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.925 5.211 17.524 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.050 4.338 18.804 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.305 4.549 17.201 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.696 3.714 14.405 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.263 3.032 15.948 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.600 4.683 15.895 1.00 0.00 H new ATOM 734 N PHE A 47 -0.565 2.445 19.517 1.00 0.00 N ATOM 735 CA PHE A 47 -0.223 2.239 20.956 1.00 0.00 C ATOM 736 C PHE A 47 -0.548 3.442 21.841 1.00 0.00 C ATOM 737 O PHE A 47 0.009 4.507 21.697 1.00 0.00 O ATOM 738 CB PHE A 47 1.257 1.959 21.088 1.00 0.00 C ATOM 739 CG PHE A 47 1.647 2.294 22.495 1.00 0.00 C ATOM 740 CD1 PHE A 47 1.499 1.335 23.504 1.00 0.00 C ATOM 741 CD2 PHE A 47 2.152 3.562 22.791 1.00 0.00 C ATOM 742 CE1 PHE A 47 1.867 1.648 24.819 1.00 0.00 C ATOM 743 CE2 PHE A 47 2.520 3.877 24.106 1.00 0.00 C ATOM 744 CZ PHE A 47 2.379 2.919 25.119 1.00 0.00 C ATOM 0 H PHE A 47 0.035 3.087 18.999 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.832 1.400 21.293 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.472 0.913 20.868 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.827 2.558 20.378 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.103 0.358 23.270 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.259 4.298 22.008 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.757 0.911 25.601 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.912 4.856 24.338 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.665 3.160 26.132 1.00 0.00 H new ATOM 754 N ALA A 48 -1.397 3.236 22.811 1.00 0.00 N ATOM 755 CA ALA A 48 -1.740 4.315 23.792 1.00 0.00 C ATOM 756 C ALA A 48 -2.252 5.588 23.115 1.00 0.00 C ATOM 757 O ALA A 48 -2.455 6.594 23.766 1.00 0.00 O ATOM 758 CB ALA A 48 -0.496 4.655 24.606 1.00 0.00 C ATOM 0 H ALA A 48 -1.878 2.351 22.971 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.541 3.937 24.428 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.734 5.440 25.324 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.156 3.767 25.139 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.293 5.001 23.938 1.00 0.00 H new ATOM 764 N GLY A 49 -2.483 5.571 21.842 1.00 0.00 N ATOM 765 CA GLY A 49 -3.006 6.803 21.187 1.00 0.00 C ATOM 766 C GLY A 49 -2.038 7.315 20.118 1.00 0.00 C ATOM 767 O GLY A 49 -2.405 8.134 19.299 1.00 0.00 O ATOM 0 H GLY A 49 -2.337 4.771 21.226 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.975 6.594 20.734 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.166 7.577 21.937 1.00 0.00 H new ATOM 771 N LYS A 50 -0.812 6.860 20.098 1.00 0.00 N ATOM 772 CA LYS A 50 0.115 7.369 19.052 1.00 0.00 C ATOM 773 C LYS A 50 0.148 6.375 17.895 1.00 0.00 C ATOM 774 O LYS A 50 0.603 5.261 18.033 1.00 0.00 O ATOM 775 CB LYS A 50 1.522 7.521 19.634 1.00 0.00 C ATOM 776 CG LYS A 50 1.561 8.720 20.583 1.00 0.00 C ATOM 777 CD LYS A 50 1.328 8.239 22.016 1.00 0.00 C ATOM 778 CE LYS A 50 1.291 9.443 22.960 1.00 0.00 C ATOM 779 NZ LYS A 50 -0.123 9.753 23.315 1.00 0.00 N ATOM 0 H LYS A 50 -0.422 6.175 20.745 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.230 8.341 18.699 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.805 6.614 20.167 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.246 7.657 18.830 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.524 9.226 20.509 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.798 9.446 20.302 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.390 7.687 22.077 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.122 7.554 22.314 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.865 9.229 23.862 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.755 10.307 22.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.148 10.571 23.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.657 9.974 22.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.551 8.930 23.786 1.00 0.00 H new ATOM 793 N GLU A 51 -0.333 6.777 16.753 1.00 0.00 N ATOM 794 CA GLU A 51 -0.339 5.862 15.580 1.00 0.00 C ATOM 795 C GLU A 51 1.087 5.386 15.293 1.00 0.00 C ATOM 796 O GLU A 51 1.956 6.171 14.967 1.00 0.00 O ATOM 797 CB GLU A 51 -0.882 6.613 14.363 1.00 0.00 C ATOM 798 CG GLU A 51 -0.717 5.745 13.117 1.00 0.00 C ATOM 799 CD GLU A 51 -1.634 6.263 12.009 1.00 0.00 C ATOM 800 OE1 GLU A 51 -2.561 6.991 12.325 1.00 0.00 O ATOM 801 OE2 GLU A 51 -1.395 5.923 10.862 1.00 0.00 O ATOM 0 H GLU A 51 -0.724 7.703 16.581 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.970 4.999 15.791 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.934 6.858 14.512 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.350 7.556 14.236 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.320 5.763 12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.959 4.708 13.349 1.00 0.00 H new ATOM 808 N LEU A 52 1.336 4.108 15.400 1.00 0.00 N ATOM 809 CA LEU A 52 2.710 3.600 15.118 1.00 0.00 C ATOM 810 C LEU A 52 2.857 3.344 13.621 1.00 0.00 C ATOM 811 O LEU A 52 2.023 2.687 13.028 1.00 0.00 O ATOM 812 CB LEU A 52 2.959 2.265 15.831 1.00 0.00 C ATOM 813 CG LEU A 52 2.259 2.229 17.185 1.00 0.00 C ATOM 814 CD1 LEU A 52 2.445 0.846 17.812 1.00 0.00 C ATOM 815 CD2 LEU A 52 2.871 3.284 18.106 1.00 0.00 C ATOM 0 H LEU A 52 0.654 3.399 15.668 1.00 0.00 H new ATOM 0 HA LEU A 52 3.421 4.348 15.469 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.599 1.445 15.210 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.030 2.116 15.967 1.00 0.00 H new ATOM 0 HG LEU A 52 1.197 2.435 17.050 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.946 0.816 18.781 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.013 0.089 17.157 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.508 0.647 17.945 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.370 3.257 19.074 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.933 3.077 18.241 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.748 4.271 17.661 1.00 0.00 H new ATOM 827 N PRO A 53 3.931 3.820 13.059 1.00 0.00 N ATOM 828 CA PRO A 53 4.224 3.599 11.641 1.00 0.00 C ATOM 829 C PRO A 53 4.695 2.155 11.469 1.00 0.00 C ATOM 830 O PRO A 53 5.516 1.666 12.219 1.00 0.00 O ATOM 831 CB PRO A 53 5.334 4.599 11.333 1.00 0.00 C ATOM 832 CG PRO A 53 5.986 4.950 12.689 1.00 0.00 C ATOM 833 CD PRO A 53 4.946 4.615 13.773 1.00 0.00 C ATOM 0 HA PRO A 53 3.373 3.740 10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.066 4.170 10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.932 5.491 10.852 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.901 4.377 12.839 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.260 6.004 12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.391 4.051 14.593 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.515 5.518 14.205 1.00 0.00 H new ATOM 841 N ASN A 54 4.157 1.460 10.515 1.00 0.00 N ATOM 842 CA ASN A 54 4.546 0.034 10.326 1.00 0.00 C ATOM 843 C ASN A 54 6.052 -0.078 10.049 1.00 0.00 C ATOM 844 O ASN A 54 6.675 -1.067 10.381 1.00 0.00 O ATOM 845 CB ASN A 54 3.771 -0.553 9.144 1.00 0.00 C ATOM 846 CG ASN A 54 2.324 -0.057 9.179 1.00 0.00 C ATOM 847 OD1 ASN A 54 1.791 0.221 10.235 1.00 0.00 O ATOM 848 ND2 ASN A 54 1.661 0.066 8.061 1.00 0.00 N ATOM 0 H ASN A 54 3.464 1.813 9.855 1.00 0.00 H new ATOM 0 HA ASN A 54 4.311 -0.518 11.236 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.243 -0.261 8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.794 -1.642 9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.696 0.395 8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.108 -0.167 7.174 1.00 0.00 H new ATOM 855 N HIS A 55 6.647 0.906 9.430 1.00 0.00 N ATOM 856 CA HIS A 55 8.106 0.798 9.138 1.00 0.00 C ATOM 857 C HIS A 55 8.911 0.913 10.435 1.00 0.00 C ATOM 858 O HIS A 55 10.025 0.437 10.521 1.00 0.00 O ATOM 859 CB HIS A 55 8.540 1.885 8.146 1.00 0.00 C ATOM 860 CG HIS A 55 8.037 3.236 8.580 1.00 0.00 C ATOM 861 ND1 HIS A 55 6.864 3.783 8.080 1.00 0.00 N ATOM 862 CD2 HIS A 55 8.553 4.177 9.437 1.00 0.00 C ATOM 863 CE1 HIS A 55 6.716 5.001 8.632 1.00 0.00 C ATOM 864 NE2 HIS A 55 7.717 5.291 9.468 1.00 0.00 N ATOM 0 H HIS A 55 6.196 1.766 9.118 1.00 0.00 H new ATOM 0 HA HIS A 55 8.298 -0.176 8.687 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.627 1.903 8.072 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.157 1.651 7.153 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.468 4.070 10.001 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.889 5.664 8.425 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.842 6.145 10.012 1.00 0.00 H new ATOM 872 N LEU A 56 8.357 1.514 11.454 1.00 0.00 N ATOM 873 CA LEU A 56 9.108 1.611 12.738 1.00 0.00 C ATOM 874 C LEU A 56 8.998 0.268 13.456 1.00 0.00 C ATOM 875 O LEU A 56 8.233 -0.591 13.063 1.00 0.00 O ATOM 876 CB LEU A 56 8.529 2.730 13.611 1.00 0.00 C ATOM 877 CG LEU A 56 9.120 4.073 13.167 1.00 0.00 C ATOM 878 CD1 LEU A 56 8.647 5.185 14.109 1.00 0.00 C ATOM 879 CD2 LEU A 56 10.649 3.997 13.198 1.00 0.00 C ATOM 0 H LEU A 56 7.429 1.937 11.454 1.00 0.00 H new ATOM 0 HA LEU A 56 10.154 1.846 12.542 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.443 2.750 13.524 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.761 2.546 14.660 1.00 0.00 H new ATOM 0 HG LEU A 56 8.786 4.292 12.153 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.070 6.137 13.789 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.559 5.245 14.084 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.975 4.965 15.125 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.067 4.953 12.882 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.982 3.773 14.211 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.988 3.212 12.523 1.00 0.00 H new ATOM 891 N THR A 57 9.769 0.061 14.481 1.00 0.00 N ATOM 892 CA THR A 57 9.717 -1.247 15.187 1.00 0.00 C ATOM 893 C THR A 57 8.789 -1.179 16.401 1.00 0.00 C ATOM 894 O THR A 57 8.285 -0.134 16.762 1.00 0.00 O ATOM 895 CB THR A 57 11.125 -1.640 15.618 1.00 0.00 C ATOM 896 OG1 THR A 57 11.928 -0.473 15.728 1.00 0.00 O ATOM 897 CG2 THR A 57 11.713 -2.575 14.563 1.00 0.00 C ATOM 0 H THR A 57 10.431 0.737 14.861 1.00 0.00 H new ATOM 0 HA THR A 57 9.319 -2.000 14.507 1.00 0.00 H new ATOM 0 HB THR A 57 11.097 -2.144 16.584 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.833 -0.724 16.007 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.722 -2.866 14.856 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.089 -3.465 14.477 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.748 -2.062 13.602 1.00 0.00 H new ATOM 905 N VAL A 58 8.545 -2.307 17.012 1.00 0.00 N ATOM 906 CA VAL A 58 7.634 -2.356 18.189 1.00 0.00 C ATOM 907 C VAL A 58 8.163 -1.463 19.316 1.00 0.00 C ATOM 908 O VAL A 58 7.415 -0.765 19.971 1.00 0.00 O ATOM 909 CB VAL A 58 7.540 -3.800 18.685 1.00 0.00 C ATOM 910 CG1 VAL A 58 6.962 -3.817 20.101 1.00 0.00 C ATOM 911 CG2 VAL A 58 6.626 -4.591 17.749 1.00 0.00 C ATOM 0 H VAL A 58 8.943 -3.206 16.742 1.00 0.00 H new ATOM 0 HA VAL A 58 6.649 -1.995 17.893 1.00 0.00 H new ATOM 0 HB VAL A 58 8.532 -4.251 18.697 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.895 -4.846 20.454 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.611 -3.247 20.766 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.968 -3.371 20.093 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.554 -5.622 18.096 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.634 -4.140 17.743 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.038 -4.576 16.740 1.00 0.00 H new ATOM 921 N GLN A 59 9.443 -1.473 19.547 1.00 0.00 N ATOM 922 CA GLN A 59 10.016 -0.624 20.632 1.00 0.00 C ATOM 923 C GLN A 59 10.320 0.767 20.087 1.00 0.00 C ATOM 924 O GLN A 59 11.096 1.516 20.647 1.00 0.00 O ATOM 925 CB GLN A 59 11.315 -1.247 21.102 1.00 0.00 C ATOM 926 CG GLN A 59 11.028 -2.260 22.211 1.00 0.00 C ATOM 927 CD GLN A 59 12.319 -2.564 22.975 1.00 0.00 C ATOM 928 OE1 GLN A 59 12.310 -2.674 24.185 1.00 0.00 O ATOM 929 NE2 GLN A 59 13.437 -2.705 22.316 1.00 0.00 N ATOM 0 H GLN A 59 10.122 -2.033 19.031 1.00 0.00 H new ATOM 0 HA GLN A 59 9.303 -0.552 21.453 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.817 -1.738 20.268 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.989 -0.473 21.469 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.275 -1.865 22.892 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.622 -3.177 21.784 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.445 -2.613 21.300 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.302 -2.907 22.817 1.00 0.00 H new ATOM 938 N ASN A 60 9.713 1.109 18.998 1.00 0.00 N ATOM 939 CA ASN A 60 9.956 2.452 18.394 1.00 0.00 C ATOM 940 C ASN A 60 9.046 3.470 19.069 1.00 0.00 C ATOM 941 O ASN A 60 9.499 4.408 19.696 1.00 0.00 O ATOM 942 CB ASN A 60 9.667 2.409 16.891 1.00 0.00 C ATOM 943 CG ASN A 60 10.704 3.268 16.167 1.00 0.00 C ATOM 944 OD1 ASN A 60 10.413 4.372 15.760 1.00 0.00 O ATOM 945 ND2 ASN A 60 11.915 2.814 16.003 1.00 0.00 N ATOM 0 H ASN A 60 9.054 0.519 18.491 1.00 0.00 H new ATOM 0 HA ASN A 60 10.998 2.737 18.541 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.707 1.382 16.528 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.662 2.779 16.689 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.615 3.388 15.533 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.162 1.885 16.345 1.00 0.00 H new ATOM 952 N CYS A 61 7.761 3.270 18.978 1.00 0.00 N ATOM 953 CA CYS A 61 6.819 4.200 19.652 1.00 0.00 C ATOM 954 C CYS A 61 6.940 3.971 21.155 1.00 0.00 C ATOM 955 O CYS A 61 6.502 4.777 21.951 1.00 0.00 O ATOM 956 CB CYS A 61 5.390 3.916 19.204 1.00 0.00 C ATOM 957 SG CYS A 61 4.321 5.276 19.745 1.00 0.00 S ATOM 0 H CYS A 61 7.325 2.503 18.466 1.00 0.00 H new ATOM 0 HA CYS A 61 7.059 5.232 19.397 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.349 3.813 18.120 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.043 2.973 19.627 1.00 0.00 H new ATOM 0 HG CYS A 61 4.744 5.732 20.887 1.00 0.00 H new ATOM 963 N ASP A 62 7.534 2.855 21.523 1.00 0.00 N ATOM 964 CA ASP A 62 7.730 2.483 22.955 1.00 0.00 C ATOM 965 C ASP A 62 6.708 1.417 23.347 1.00 0.00 C ATOM 966 O ASP A 62 6.211 1.407 24.456 1.00 0.00 O ATOM 967 CB ASP A 62 7.588 3.699 23.875 1.00 0.00 C ATOM 968 CG ASP A 62 8.337 3.437 25.182 1.00 0.00 C ATOM 969 OD1 ASP A 62 8.670 2.289 25.432 1.00 0.00 O ATOM 970 OD2 ASP A 62 8.568 4.388 25.912 1.00 0.00 O ATOM 0 H ASP A 62 7.900 2.169 20.863 1.00 0.00 H new ATOM 0 HA ASP A 62 8.741 2.092 23.071 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.987 4.587 23.386 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.535 3.894 24.079 1.00 0.00 H new ATOM 975 N LEU A 63 6.402 0.500 22.463 1.00 0.00 N ATOM 976 CA LEU A 63 5.425 -0.566 22.846 1.00 0.00 C ATOM 977 C LEU A 63 6.072 -1.421 23.930 1.00 0.00 C ATOM 978 O LEU A 63 5.880 -1.207 25.111 1.00 0.00 O ATOM 979 CB LEU A 63 5.111 -1.441 21.652 1.00 0.00 C ATOM 980 CG LEU A 63 4.297 -0.630 20.665 1.00 0.00 C ATOM 981 CD1 LEU A 63 4.947 -0.769 19.309 1.00 0.00 C ATOM 982 CD2 LEU A 63 2.865 -1.159 20.630 1.00 0.00 C ATOM 0 H LEU A 63 6.775 0.442 21.516 1.00 0.00 H new ATOM 0 HA LEU A 63 4.500 -0.113 23.201 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.032 -1.792 21.186 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.556 -2.325 21.965 1.00 0.00 H new ATOM 0 HG LEU A 63 4.265 0.420 20.955 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.383 -0.195 18.574 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.969 -0.394 19.355 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.959 -1.819 19.017 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.279 -0.576 19.920 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.871 -2.205 20.323 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.422 -1.075 21.622 1.00 0.00 H new ATOM 994 N GLU A 64 6.875 -2.368 23.526 1.00 0.00 N ATOM 995 CA GLU A 64 7.588 -3.226 24.522 1.00 0.00 C ATOM 996 C GLU A 64 6.648 -4.270 25.130 1.00 0.00 C ATOM 997 O GLU A 64 5.440 -4.151 25.080 1.00 0.00 O ATOM 998 CB GLU A 64 8.134 -2.335 25.642 1.00 0.00 C ATOM 999 CG GLU A 64 9.633 -2.589 25.825 1.00 0.00 C ATOM 1000 CD GLU A 64 10.252 -1.439 26.626 1.00 0.00 C ATOM 1001 OE1 GLU A 64 10.100 -1.438 27.836 1.00 0.00 O ATOM 1002 OE2 GLU A 64 10.868 -0.583 26.014 1.00 0.00 O ATOM 0 H GLU A 64 7.070 -2.586 22.549 1.00 0.00 H new ATOM 0 HA GLU A 64 8.398 -3.748 24.012 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.961 -1.286 25.402 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.605 -2.540 26.573 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.792 -3.534 26.344 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.120 -2.673 24.853 1.00 0.00 H new ATOM 1009 N GLN A 65 7.216 -5.286 25.726 1.00 0.00 N ATOM 1010 CA GLN A 65 6.397 -6.349 26.377 1.00 0.00 C ATOM 1011 C GLN A 65 5.222 -5.703 27.115 1.00 0.00 C ATOM 1012 O GLN A 65 5.408 -4.858 27.968 1.00 0.00 O ATOM 1013 CB GLN A 65 7.273 -7.109 27.378 1.00 0.00 C ATOM 1014 CG GLN A 65 8.143 -6.126 28.164 1.00 0.00 C ATOM 1015 CD GLN A 65 9.536 -6.722 28.369 1.00 0.00 C ATOM 1016 OE1 GLN A 65 9.670 -7.885 28.697 1.00 0.00 O ATOM 1017 NE2 GLN A 65 10.586 -5.970 28.188 1.00 0.00 N ATOM 0 H GLN A 65 8.224 -5.425 25.789 1.00 0.00 H new ATOM 0 HA GLN A 65 6.016 -7.038 25.623 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.646 -7.680 28.063 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.904 -7.825 26.851 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.217 -5.180 27.627 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.684 -5.910 29.129 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.473 -4.994 27.913 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.520 -6.358 28.322 1.00 0.00 H new ATOM 1026 N GLN A 66 4.012 -6.069 26.782 1.00 0.00 N ATOM 1027 CA GLN A 66 2.846 -5.449 27.450 1.00 0.00 C ATOM 1028 C GLN A 66 2.674 -4.055 26.859 1.00 0.00 C ATOM 1029 O GLN A 66 3.504 -3.185 27.035 1.00 0.00 O ATOM 1030 CB GLN A 66 3.088 -5.355 28.957 1.00 0.00 C ATOM 1031 CG GLN A 66 1.930 -6.026 29.698 1.00 0.00 C ATOM 1032 CD GLN A 66 1.813 -5.433 31.102 1.00 0.00 C ATOM 1033 OE1 GLN A 66 2.714 -4.770 31.572 1.00 0.00 O ATOM 1034 NE2 GLN A 66 0.729 -5.645 31.799 1.00 0.00 N ATOM 0 H GLN A 66 3.788 -6.770 26.076 1.00 0.00 H new ATOM 0 HA GLN A 66 1.949 -6.049 27.293 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.030 -5.839 29.217 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.172 -4.311 29.259 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.999 -5.878 29.150 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.097 -7.101 29.758 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.029 -6.202 31.406 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.641 -5.253 32.737 1.00 0.00 H new ATOM 1043 N SER A 67 1.619 -3.848 26.138 1.00 0.00 N ATOM 1044 CA SER A 67 1.394 -2.525 25.500 1.00 0.00 C ATOM 1045 C SER A 67 -0.063 -2.449 25.097 1.00 0.00 C ATOM 1046 O SER A 67 -0.536 -3.234 24.303 1.00 0.00 O ATOM 1047 CB SER A 67 2.275 -2.407 24.259 1.00 0.00 C ATOM 1048 OG SER A 67 3.170 -1.312 24.416 1.00 0.00 O ATOM 0 H SER A 67 0.894 -4.543 25.959 1.00 0.00 H new ATOM 0 HA SER A 67 1.642 -1.717 26.188 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.835 -3.330 24.108 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.657 -2.261 23.373 1.00 0.00 H new ATOM 0 HG SER A 67 2.679 -0.470 24.309 1.00 0.00 H new ATOM 1054 N ILE A 68 -0.793 -1.524 25.630 1.00 0.00 N ATOM 1055 CA ILE A 68 -2.204 -1.446 25.260 1.00 0.00 C ATOM 1056 C ILE A 68 -2.289 -0.695 23.940 1.00 0.00 C ATOM 1057 O ILE A 68 -1.898 0.449 23.826 1.00 0.00 O ATOM 1058 CB ILE A 68 -2.938 -0.722 26.382 1.00 0.00 C ATOM 1059 CG1 ILE A 68 -3.579 -1.740 27.325 1.00 0.00 C ATOM 1060 CG2 ILE A 68 -4.019 0.153 25.790 1.00 0.00 C ATOM 1061 CD1 ILE A 68 -2.582 -2.855 27.667 1.00 0.00 C ATOM 0 H ILE A 68 -0.470 -0.827 26.300 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.663 -2.426 25.130 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.228 -0.110 26.938 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.906 -1.243 28.238 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.467 -2.168 26.859 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.546 0.672 26.591 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.568 0.884 25.118 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.723 -0.465 25.233 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.054 -3.572 28.339 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.276 -3.363 26.752 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.707 -2.424 28.153 1.00 0.00 H new ATOM 1073 N VAL A 69 -2.771 -1.360 22.935 1.00 0.00 N ATOM 1074 CA VAL A 69 -2.864 -0.743 21.593 1.00 0.00 C ATOM 1075 C VAL A 69 -4.345 -0.661 21.195 1.00 0.00 C ATOM 1076 O VAL A 69 -5.139 -1.483 21.597 1.00 0.00 O ATOM 1077 CB VAL A 69 -2.139 -1.648 20.580 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -0.800 -1.032 20.170 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -1.878 -3.014 21.214 1.00 0.00 C ATOM 0 H VAL A 69 -3.110 -2.321 22.989 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.414 0.250 21.604 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.770 -1.754 19.697 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.303 -1.686 19.454 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.973 -0.058 19.713 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.169 -0.913 21.051 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.365 -3.656 20.498 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.257 -2.891 22.101 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.826 -3.471 21.496 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.731 0.291 20.395 1.00 0.00 N ATOM 1090 CA HIS A 70 -6.155 0.361 19.982 1.00 0.00 C ATOM 1091 C HIS A 70 -6.249 -0.061 18.515 1.00 0.00 C ATOM 1092 O HIS A 70 -5.793 0.631 17.627 1.00 0.00 O ATOM 1093 CB HIS A 70 -6.665 1.793 20.144 1.00 0.00 C ATOM 1094 CG HIS A 70 -6.642 2.164 21.601 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -5.563 2.810 22.180 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -7.557 1.984 22.608 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -5.850 2.994 23.482 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -7.055 2.509 23.796 1.00 0.00 N ATOM 0 H HIS A 70 -4.126 1.018 20.012 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.762 -0.299 20.601 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.042 2.480 19.571 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.678 1.878 19.751 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.520 1.508 22.496 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.188 3.475 24.187 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.509 2.521 24.709 1.00 0.00 H new ATOM 1106 N ILE A 71 -6.821 -1.204 18.260 1.00 0.00 N ATOM 1107 CA ILE A 71 -6.930 -1.693 16.867 1.00 0.00 C ATOM 1108 C ILE A 71 -8.111 -1.008 16.177 1.00 0.00 C ATOM 1109 O ILE A 71 -9.144 -0.770 16.773 1.00 0.00 O ATOM 1110 CB ILE A 71 -7.070 -3.224 16.879 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -8.489 -3.636 16.562 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -6.632 -3.812 18.215 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -8.493 -4.085 15.111 1.00 0.00 C ATOM 0 H ILE A 71 -7.220 -1.822 18.966 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.032 -1.445 16.301 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.412 -3.620 16.105 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.815 -4.443 17.219 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.177 -2.804 16.713 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.744 -4.896 18.190 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.588 -3.559 18.399 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.251 -3.402 19.013 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.499 -4.395 14.829 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.175 -3.260 14.474 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.807 -4.923 14.988 1.00 0.00 H new ATOM 1125 N VAL A 72 -7.959 -0.671 14.927 1.00 0.00 N ATOM 1126 CA VAL A 72 -9.064 0.007 14.201 1.00 0.00 C ATOM 1127 C VAL A 72 -9.305 -0.716 12.876 1.00 0.00 C ATOM 1128 O VAL A 72 -8.409 -0.863 12.072 1.00 0.00 O ATOM 1129 CB VAL A 72 -8.674 1.461 13.929 1.00 0.00 C ATOM 1130 CG1 VAL A 72 -9.890 2.229 13.409 1.00 0.00 C ATOM 1131 CG2 VAL A 72 -8.179 2.109 15.224 1.00 0.00 C ATOM 0 H VAL A 72 -7.116 -0.837 14.378 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.973 -0.016 14.802 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.881 1.488 13.182 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.611 3.265 13.216 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.243 1.770 12.486 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -10.684 2.201 14.155 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.901 3.145 15.029 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.972 2.080 15.971 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.311 1.564 15.595 1.00 0.00 H new ATOM 1141 N GLN A 73 -10.504 -1.179 12.648 1.00 0.00 N ATOM 1142 CA GLN A 73 -10.794 -1.901 11.377 1.00 0.00 C ATOM 1143 C GLN A 73 -11.902 -1.179 10.600 1.00 0.00 C ATOM 1144 O GLN A 73 -13.052 -1.199 10.985 1.00 0.00 O ATOM 1145 CB GLN A 73 -11.244 -3.326 11.701 1.00 0.00 C ATOM 1146 CG GLN A 73 -11.035 -4.213 10.474 1.00 0.00 C ATOM 1147 CD GLN A 73 -12.271 -4.136 9.578 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -12.497 -3.139 8.931 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -13.089 -5.152 9.514 1.00 0.00 N ATOM 0 H GLN A 73 -11.294 -1.089 13.286 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.892 -1.927 10.765 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.677 -3.715 12.546 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.294 -3.331 11.993 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.152 -3.889 9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.859 -5.244 10.782 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.900 -5.994 10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.916 -5.104 8.919 1.00 0.00 H new