USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 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 Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 144:sc= 0.387 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.629 K(o=-0.63,f=-7.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 54:sc= -0.738! USER MOD Single : A 50 THR OG1 : rot -82:sc= 1.01 USER MOD Single : A 57 THR OG1 : rot 145:sc= -2.79! USER MOD Single : A 58 GLN : amide:sc= -0.0937 X(o=-0.094,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.275 X(o=-0.27,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0424) USER MOD Single : A 64 SER OG : rot 180:sc= -1.81 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0437 K(o=-0.044,f=-1.1!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.582 8.888 -5.863 1.00 0.00 N ATOM 57 CA VAL A 5 9.124 8.878 -6.178 1.00 0.00 C ATOM 58 C VAL A 5 8.849 7.830 -7.260 1.00 0.00 C ATOM 59 O VAL A 5 9.630 7.654 -8.174 1.00 0.00 O ATOM 60 CB VAL A 5 8.711 10.261 -6.685 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.223 10.480 -6.421 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.517 11.332 -5.946 1.00 0.00 C ATOM 0 HA VAL A 5 8.552 8.633 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 5 8.904 10.327 -7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.931 11.466 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.645 9.716 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.030 10.415 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.225 12.319 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.320 11.262 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.580 11.179 -6.130 1.00 0.00 H new ATOM 72 N SER A 6 7.752 7.123 -7.167 1.00 0.00 N ATOM 73 CA SER A 6 7.460 6.086 -8.201 1.00 0.00 C ATOM 74 C SER A 6 6.398 6.581 -9.180 1.00 0.00 C ATOM 75 O SER A 6 5.248 6.762 -8.830 1.00 0.00 O ATOM 76 CB SER A 6 6.951 4.801 -7.538 1.00 0.00 C ATOM 77 OG SER A 6 7.668 4.578 -6.331 1.00 0.00 O ATOM 0 H SER A 6 7.054 7.217 -6.429 1.00 0.00 H new ATOM 0 HA SER A 6 8.386 5.885 -8.740 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.884 4.883 -7.330 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.080 3.955 -8.213 1.00 0.00 H new ATOM 0 HG SER A 6 7.343 3.758 -5.904 1.00 0.00 H new ATOM 83 N LYS A 7 6.766 6.747 -10.419 1.00 0.00 N ATOM 84 CA LYS A 7 5.776 7.165 -11.443 1.00 0.00 C ATOM 85 C LYS A 7 5.112 5.884 -11.937 1.00 0.00 C ATOM 86 O LYS A 7 5.675 5.144 -12.721 1.00 0.00 O ATOM 87 CB LYS A 7 6.488 7.868 -12.602 1.00 0.00 C ATOM 88 CG LYS A 7 5.471 8.667 -13.421 1.00 0.00 C ATOM 89 CD LYS A 7 5.737 10.164 -13.247 1.00 0.00 C ATOM 90 CE LYS A 7 6.675 10.650 -14.354 1.00 0.00 C ATOM 91 NZ LYS A 7 6.951 12.103 -14.168 1.00 0.00 N ATOM 0 H LYS A 7 7.715 6.610 -10.766 1.00 0.00 H new ATOM 0 HA LYS A 7 5.044 7.861 -11.032 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.262 8.532 -12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.984 7.133 -13.236 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.542 8.394 -14.474 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.458 8.427 -13.097 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.798 10.717 -13.283 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.182 10.354 -12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.607 10.086 -14.329 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.223 10.477 -15.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.588 12.434 -14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.058 12.634 -14.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.399 12.255 -13.242 1.00 0.00 H new ATOM 105 N LEU A 8 3.952 5.577 -11.438 1.00 0.00 N ATOM 106 CA LEU A 8 3.302 4.302 -11.834 1.00 0.00 C ATOM 107 C LEU A 8 2.252 4.507 -12.917 1.00 0.00 C ATOM 108 O LEU A 8 1.340 5.299 -12.784 1.00 0.00 O ATOM 109 CB LEU A 8 2.614 3.688 -10.611 1.00 0.00 C ATOM 110 CG LEU A 8 3.550 2.709 -9.897 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.755 1.917 -8.858 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.155 1.732 -10.908 1.00 0.00 C ATOM 0 H LEU A 8 3.428 6.150 -10.777 1.00 0.00 H new ATOM 0 HA LEU A 8 4.079 3.646 -12.226 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.312 4.478 -9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.706 3.171 -10.920 1.00 0.00 H new ATOM 0 HG LEU A 8 4.349 3.270 -9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.418 1.219 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.322 2.604 -8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.958 1.363 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.820 1.039 -10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.357 1.173 -11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.720 2.287 -11.657 1.00 0.00 H new ATOM 124 N ARG A 9 2.342 3.730 -13.956 1.00 0.00 N ATOM 125 CA ARG A 9 1.321 3.788 -15.026 1.00 0.00 C ATOM 126 C ARG A 9 0.579 2.461 -14.943 1.00 0.00 C ATOM 127 O ARG A 9 1.084 1.430 -15.337 1.00 0.00 O ATOM 128 CB ARG A 9 1.991 3.933 -16.393 1.00 0.00 C ATOM 129 CG ARG A 9 0.956 4.384 -17.424 1.00 0.00 C ATOM 130 CD ARG A 9 0.827 5.908 -17.384 1.00 0.00 C ATOM 131 NE ARG A 9 1.977 6.522 -18.108 1.00 0.00 N ATOM 132 CZ ARG A 9 2.755 7.372 -17.494 1.00 0.00 C ATOM 133 NH1 ARG A 9 2.254 8.456 -16.969 1.00 0.00 N ATOM 134 NH2 ARG A 9 4.036 7.137 -17.406 1.00 0.00 N ATOM 0 H ARG A 9 3.088 3.051 -14.108 1.00 0.00 H new ATOM 0 HA ARG A 9 0.652 4.640 -14.904 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.803 4.658 -16.337 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.432 2.983 -16.696 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.255 4.060 -18.421 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.008 3.921 -17.214 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.112 6.217 -17.843 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.806 6.255 -16.351 1.00 0.00 H new ATOM 0 HE ARG A 9 2.156 6.278 -19.082 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.253 8.641 -17.038 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.863 9.119 -16.490 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.428 6.290 -17.817 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.644 7.801 -16.927 1.00 0.00 H new ATOM 148 N ILE A 10 -0.592 2.465 -14.387 1.00 0.00 N ATOM 149 CA ILE A 10 -1.329 1.188 -14.224 1.00 0.00 C ATOM 150 C ILE A 10 -2.399 1.081 -15.312 1.00 0.00 C ATOM 151 O ILE A 10 -3.037 2.045 -15.661 1.00 0.00 O ATOM 152 CB ILE A 10 -1.955 1.166 -12.820 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.994 1.824 -11.806 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.210 -0.276 -12.382 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.810 2.421 -10.665 1.00 0.00 C ATOM 0 H ILE A 10 -1.072 3.295 -14.038 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.659 0.334 -14.325 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.896 1.715 -12.853 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.291 1.086 -11.420 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.405 2.600 -12.294 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.653 -0.281 -11.386 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.892 -0.755 -13.085 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.267 -0.822 -12.362 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.139 2.888 -9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.496 3.170 -11.061 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.379 1.632 -10.173 1.00 0.00 H new ATOM 167 N ARG A 11 -2.580 -0.077 -15.880 1.00 0.00 N ATOM 168 CA ARG A 11 -3.584 -0.222 -16.960 1.00 0.00 C ATOM 169 C ARG A 11 -4.781 -1.028 -16.440 1.00 0.00 C ATOM 170 O ARG A 11 -4.671 -1.793 -15.502 1.00 0.00 O ATOM 171 CB ARG A 11 -2.913 -0.932 -18.150 1.00 0.00 C ATOM 172 CG ARG A 11 -3.896 -1.871 -18.858 1.00 0.00 C ATOM 173 CD ARG A 11 -3.999 -3.174 -18.063 1.00 0.00 C ATOM 174 NE ARG A 11 -3.370 -4.281 -18.837 1.00 0.00 N ATOM 175 CZ ARG A 11 -4.087 -4.984 -19.670 1.00 0.00 C ATOM 176 NH1 ARG A 11 -5.163 -4.470 -20.201 1.00 0.00 N ATOM 177 NH2 ARG A 11 -3.729 -6.202 -19.973 1.00 0.00 N ATOM 0 H ARG A 11 -2.073 -0.929 -15.640 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.949 0.753 -17.284 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.540 -0.191 -18.857 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.051 -1.500 -17.800 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.876 -1.400 -18.938 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.557 -2.075 -19.874 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.504 -3.064 -17.098 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.044 -3.407 -17.860 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.379 -4.489 -18.716 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.444 -3.518 -19.965 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.723 -5.020 -20.852 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.888 -6.605 -19.558 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.290 -6.751 -20.624 1.00 0.00 H new ATOM 191 N THR A 12 -5.919 -0.859 -17.051 1.00 0.00 N ATOM 192 CA THR A 12 -7.127 -1.610 -16.604 1.00 0.00 C ATOM 193 C THR A 12 -7.557 -2.576 -17.713 1.00 0.00 C ATOM 194 O THR A 12 -6.982 -2.581 -18.783 1.00 0.00 O ATOM 195 CB THR A 12 -8.269 -0.628 -16.308 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.175 -0.611 -17.403 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.709 0.780 -16.087 1.00 0.00 C ATOM 0 H THR A 12 -6.066 -0.232 -17.842 1.00 0.00 H new ATOM 0 HA THR A 12 -6.893 -2.169 -15.698 1.00 0.00 H new ATOM 0 HB THR A 12 -8.789 -0.949 -15.406 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.090 -0.506 -17.069 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.528 1.469 -15.878 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.019 0.769 -15.243 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.181 1.106 -16.983 1.00 0.00 H new ATOM 205 N PRO A 13 -8.558 -3.367 -17.422 1.00 0.00 N ATOM 206 CA PRO A 13 -9.091 -4.353 -18.378 1.00 0.00 C ATOM 207 C PRO A 13 -9.982 -3.663 -19.414 1.00 0.00 C ATOM 208 O PRO A 13 -10.187 -4.162 -20.503 1.00 0.00 O ATOM 209 CB PRO A 13 -9.908 -5.302 -17.496 1.00 0.00 C ATOM 210 CG PRO A 13 -10.261 -4.510 -16.214 1.00 0.00 C ATOM 211 CD PRO A 13 -9.250 -3.353 -16.117 1.00 0.00 C ATOM 0 HA PRO A 13 -8.314 -4.869 -18.943 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.811 -5.630 -18.011 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.335 -6.197 -17.254 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.281 -4.129 -16.263 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.201 -5.151 -15.334 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.750 -2.401 -15.942 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.551 -3.502 -15.294 1.00 0.00 H new ATOM 219 N SER A 14 -10.513 -2.517 -19.085 1.00 0.00 N ATOM 220 CA SER A 14 -11.389 -1.796 -20.052 1.00 0.00 C ATOM 221 C SER A 14 -10.528 -0.940 -20.983 1.00 0.00 C ATOM 222 O SER A 14 -11.033 -0.168 -21.775 1.00 0.00 O ATOM 223 CB SER A 14 -12.361 -0.897 -19.286 1.00 0.00 C ATOM 224 OG SER A 14 -13.571 -1.606 -19.054 1.00 0.00 O ATOM 0 H SER A 14 -10.378 -2.049 -18.189 1.00 0.00 H new ATOM 0 HA SER A 14 -11.951 -2.520 -20.642 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.919 -0.588 -18.339 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.561 0.011 -19.855 1.00 0.00 H new ATOM 0 HG SER A 14 -14.196 -1.034 -18.562 1.00 0.00 H new ATOM 230 N GLY A 15 -9.232 -1.069 -20.897 1.00 0.00 N ATOM 231 CA GLY A 15 -8.343 -0.262 -21.780 1.00 0.00 C ATOM 232 C GLY A 15 -8.086 1.104 -21.140 1.00 0.00 C ATOM 233 O GLY A 15 -7.582 2.011 -21.771 1.00 0.00 O ATOM 0 H GLY A 15 -8.751 -1.698 -20.254 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.399 -0.784 -21.938 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.805 -0.135 -22.759 1.00 0.00 H new ATOM 237 N GLU A 16 -8.431 1.258 -19.890 1.00 0.00 N ATOM 238 CA GLU A 16 -8.205 2.565 -19.213 1.00 0.00 C ATOM 239 C GLU A 16 -6.790 2.599 -18.630 1.00 0.00 C ATOM 240 O GLU A 16 -6.073 1.616 -18.661 1.00 0.00 O ATOM 241 CB GLU A 16 -9.227 2.737 -18.088 1.00 0.00 C ATOM 242 CG GLU A 16 -10.177 3.886 -18.431 1.00 0.00 C ATOM 243 CD GLU A 16 -11.339 3.353 -19.271 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.753 2.232 -19.031 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.795 4.077 -20.141 1.00 0.00 O ATOM 0 H GLU A 16 -8.859 0.536 -19.310 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.319 3.375 -19.934 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.791 1.814 -17.950 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.716 2.942 -17.147 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.555 4.345 -17.517 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.643 4.662 -18.980 1.00 0.00 H new ATOM 252 N PHE A 17 -6.382 3.720 -18.101 1.00 0.00 N ATOM 253 CA PHE A 17 -5.012 3.811 -17.519 1.00 0.00 C ATOM 254 C PHE A 17 -5.033 4.707 -16.278 1.00 0.00 C ATOM 255 O PHE A 17 -5.644 5.757 -16.264 1.00 0.00 O ATOM 256 CB PHE A 17 -4.054 4.405 -18.556 1.00 0.00 C ATOM 257 CG PHE A 17 -3.336 3.290 -19.278 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.930 2.683 -20.392 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.075 2.862 -18.838 1.00 0.00 C ATOM 260 CE1 PHE A 17 -3.266 1.651 -21.065 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.412 1.830 -19.512 1.00 0.00 C ATOM 262 CZ PHE A 17 -2.007 1.224 -20.625 1.00 0.00 C ATOM 0 H PHE A 17 -6.936 4.575 -18.046 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.676 2.813 -17.238 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.607 5.017 -19.269 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.332 5.059 -18.067 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.901 3.012 -20.732 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.616 3.329 -17.979 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.725 1.184 -21.924 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.441 1.501 -19.173 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.495 0.427 -21.144 1.00 0.00 H new ATOM 272 N LEU A 18 -4.356 4.300 -15.242 1.00 0.00 N ATOM 273 CA LEU A 18 -4.310 5.114 -14.000 1.00 0.00 C ATOM 274 C LEU A 18 -2.902 5.666 -13.838 1.00 0.00 C ATOM 275 O LEU A 18 -1.997 4.970 -13.412 1.00 0.00 O ATOM 276 CB LEU A 18 -4.624 4.265 -12.760 1.00 0.00 C ATOM 277 CG LEU A 18 -5.816 3.345 -13.003 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.021 4.150 -13.486 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.446 2.293 -14.040 1.00 0.00 C ATOM 0 H LEU A 18 -3.827 3.428 -15.204 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.052 5.908 -14.084 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.751 3.669 -12.494 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.833 4.919 -11.913 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.079 2.854 -12.066 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.863 3.479 -13.655 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.291 4.889 -12.731 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.770 4.658 -14.417 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.299 1.636 -14.212 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.171 2.783 -14.974 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.603 1.705 -13.677 1.00 0.00 H new ATOM 291 N GLU A 19 -2.709 6.906 -14.152 1.00 0.00 N ATOM 292 CA GLU A 19 -1.355 7.498 -13.985 1.00 0.00 C ATOM 293 C GLU A 19 -1.217 7.907 -12.525 1.00 0.00 C ATOM 294 O GLU A 19 -1.958 8.734 -12.031 1.00 0.00 O ATOM 295 CB GLU A 19 -1.194 8.720 -14.893 1.00 0.00 C ATOM 296 CG GLU A 19 -2.488 9.536 -14.892 1.00 0.00 C ATOM 297 CD GLU A 19 -3.332 9.157 -16.111 1.00 0.00 C ATOM 298 OE1 GLU A 19 -3.956 8.110 -16.071 1.00 0.00 O ATOM 299 OE2 GLU A 19 -3.337 9.919 -17.063 1.00 0.00 O ATOM 0 H GLU A 19 -3.423 7.537 -14.516 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.585 6.777 -14.258 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.364 9.336 -14.547 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.954 8.402 -15.908 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.048 9.348 -13.976 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.259 10.601 -14.912 1.00 0.00 H new ATOM 306 N ARG A 20 -0.307 7.309 -11.811 1.00 0.00 N ATOM 307 CA ARG A 20 -0.181 7.646 -10.371 1.00 0.00 C ATOM 308 C ARG A 20 1.266 7.942 -9.991 1.00 0.00 C ATOM 309 O ARG A 20 2.154 7.142 -10.197 1.00 0.00 O ATOM 310 CB ARG A 20 -0.665 6.454 -9.551 1.00 0.00 C ATOM 311 CG ARG A 20 -1.206 6.941 -8.211 1.00 0.00 C ATOM 312 CD ARG A 20 -2.320 7.963 -8.448 1.00 0.00 C ATOM 313 NE ARG A 20 -1.870 9.304 -7.980 1.00 0.00 N ATOM 314 CZ ARG A 20 -1.571 9.489 -6.724 1.00 0.00 C ATOM 315 NH1 ARG A 20 -0.336 9.352 -6.321 1.00 0.00 N ATOM 316 NH2 ARG A 20 -2.504 9.811 -5.870 1.00 0.00 N ATOM 0 H ARG A 20 0.348 6.609 -12.159 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.778 8.536 -10.171 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.442 5.917 -10.095 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.154 5.753 -9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.588 6.099 -7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.404 7.391 -7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.574 8.002 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.222 7.664 -7.915 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.796 10.077 -8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.393 9.101 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.101 9.496 -5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.468 9.918 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.269 9.955 -4.888 1.00 0.00 H new ATOM 330 N ARG A 21 1.493 9.071 -9.384 1.00 0.00 N ATOM 331 CA ARG A 21 2.864 9.410 -8.927 1.00 0.00 C ATOM 332 C ARG A 21 2.874 9.260 -7.408 1.00 0.00 C ATOM 333 O ARG A 21 2.119 9.910 -6.713 1.00 0.00 O ATOM 334 CB ARG A 21 3.196 10.855 -9.311 1.00 0.00 C ATOM 335 CG ARG A 21 4.714 11.029 -9.390 1.00 0.00 C ATOM 336 CD ARG A 21 5.068 12.505 -9.202 1.00 0.00 C ATOM 337 NE ARG A 21 6.229 12.854 -10.069 1.00 0.00 N ATOM 338 CZ ARG A 21 6.876 13.970 -9.872 1.00 0.00 C ATOM 339 NH1 ARG A 21 6.227 15.101 -9.821 1.00 0.00 N ATOM 340 NH2 ARG A 21 8.173 13.955 -9.728 1.00 0.00 N ATOM 0 H ARG A 21 0.783 9.776 -9.184 1.00 0.00 H new ATOM 0 HA ARG A 21 3.605 8.757 -9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.741 11.101 -10.271 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.779 11.543 -8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.200 10.427 -8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.082 10.676 -10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.211 13.130 -9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.309 12.702 -8.157 1.00 0.00 H new ATOM 0 HE ARG A 21 6.517 12.221 -10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.213 15.113 -9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.733 15.973 -9.667 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.681 13.071 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.679 14.827 -9.574 1.00 0.00 H new ATOM 354 N PHE A 22 3.691 8.394 -6.878 1.00 0.00 N ATOM 355 CA PHE A 22 3.687 8.210 -5.400 1.00 0.00 C ATOM 356 C PHE A 22 4.999 8.661 -4.784 1.00 0.00 C ATOM 357 O PHE A 22 6.061 8.479 -5.343 1.00 0.00 O ATOM 358 CB PHE A 22 3.543 6.735 -5.042 1.00 0.00 C ATOM 359 CG PHE A 22 2.401 6.092 -5.765 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.086 6.358 -5.377 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.665 5.199 -6.807 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.032 5.733 -6.041 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.612 4.576 -7.469 1.00 0.00 C ATOM 364 CZ PHE A 22 0.294 4.844 -7.088 1.00 0.00 C ATOM 0 H PHE A 22 4.352 7.814 -7.394 1.00 0.00 H new ATOM 0 HA PHE A 22 2.853 8.800 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.467 6.211 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.394 6.636 -3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.887 7.044 -4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.685 4.993 -7.098 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.987 5.935 -5.747 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.812 3.887 -8.276 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.524 4.363 -7.604 1.00 0.00 H new ATOM 374 N LEU A 23 4.936 9.168 -3.588 1.00 0.00 N ATOM 375 CA LEU A 23 6.183 9.542 -2.887 1.00 0.00 C ATOM 376 C LEU A 23 6.774 8.237 -2.363 1.00 0.00 C ATOM 377 O LEU A 23 6.065 7.400 -1.851 1.00 0.00 O ATOM 378 CB LEU A 23 5.866 10.481 -1.719 1.00 0.00 C ATOM 379 CG LEU A 23 5.485 11.860 -2.261 1.00 0.00 C ATOM 380 CD1 LEU A 23 4.260 12.384 -1.509 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.655 12.827 -2.061 1.00 0.00 C ATOM 0 H LEU A 23 4.075 9.338 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 23 6.877 10.061 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.049 10.074 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.730 10.564 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 23 5.254 11.781 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.989 13.366 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.426 11.696 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.491 12.463 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.385 13.810 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.885 12.905 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.529 12.455 -2.595 1.00 0.00 H new ATOM 393 N ALA A 24 8.044 8.028 -2.513 1.00 0.00 N ATOM 394 CA ALA A 24 8.637 6.742 -2.038 1.00 0.00 C ATOM 395 C ALA A 24 8.077 6.366 -0.657 1.00 0.00 C ATOM 396 O ALA A 24 8.072 5.207 -0.279 1.00 0.00 O ATOM 397 CB ALA A 24 10.156 6.888 -1.961 1.00 0.00 C ATOM 0 H ALA A 24 8.700 8.682 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 24 8.378 5.950 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.594 5.952 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.549 7.129 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.410 7.687 -1.265 1.00 0.00 H new ATOM 403 N SER A 25 7.610 7.322 0.102 1.00 0.00 N ATOM 404 CA SER A 25 7.062 7.001 1.454 1.00 0.00 C ATOM 405 C SER A 25 5.552 6.740 1.364 1.00 0.00 C ATOM 406 O SER A 25 4.905 6.448 2.350 1.00 0.00 O ATOM 407 CB SER A 25 7.317 8.177 2.396 1.00 0.00 C ATOM 408 OG SER A 25 6.169 9.015 2.420 1.00 0.00 O ATOM 0 H SER A 25 7.584 8.309 -0.154 1.00 0.00 H new ATOM 0 HA SER A 25 7.556 6.107 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.537 7.813 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.188 8.742 2.064 1.00 0.00 H new ATOM 0 HG SER A 25 6.328 9.770 3.024 1.00 0.00 H new ATOM 414 N ASN A 26 4.987 6.846 0.193 1.00 0.00 N ATOM 415 CA ASN A 26 3.522 6.607 0.040 1.00 0.00 C ATOM 416 C ASN A 26 3.173 5.206 0.546 1.00 0.00 C ATOM 417 O ASN A 26 3.995 4.523 1.125 1.00 0.00 O ATOM 418 CB ASN A 26 3.138 6.730 -1.436 1.00 0.00 C ATOM 419 CG ASN A 26 2.212 7.934 -1.623 1.00 0.00 C ATOM 420 OD1 ASN A 26 2.408 8.733 -2.517 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.202 8.097 -0.812 1.00 0.00 N ATOM 0 H ASN A 26 5.477 7.089 -0.668 1.00 0.00 H new ATOM 0 HA ASN A 26 2.972 7.346 0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.033 6.847 -2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.641 5.820 -1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.578 8.895 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.037 7.426 -0.061 1.00 0.00 H new ATOM 428 N LYS A 27 1.957 4.770 0.339 1.00 0.00 N ATOM 429 CA LYS A 27 1.565 3.414 0.821 1.00 0.00 C ATOM 430 C LYS A 27 0.829 2.648 -0.283 1.00 0.00 C ATOM 431 O LYS A 27 0.010 3.191 -1.010 1.00 0.00 O ATOM 432 CB LYS A 27 0.647 3.550 2.039 1.00 0.00 C ATOM 433 CG LYS A 27 1.015 4.810 2.825 1.00 0.00 C ATOM 434 CD LYS A 27 0.169 5.985 2.331 1.00 0.00 C ATOM 435 CE LYS A 27 0.041 7.028 3.443 1.00 0.00 C ATOM 436 NZ LYS A 27 1.186 7.978 3.367 1.00 0.00 N ATOM 0 H LYS A 27 1.223 5.292 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 27 2.466 2.865 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.393 3.601 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.741 2.671 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.847 4.649 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.075 5.033 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.629 6.432 1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.819 5.635 2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.901 7.568 3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.026 6.538 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.099 8.687 4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.078 7.456 3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.181 8.455 2.443 1.00 0.00 H new ATOM 450 N LEU A 28 1.104 1.378 -0.408 1.00 0.00 N ATOM 451 CA LEU A 28 0.414 0.576 -1.450 1.00 0.00 C ATOM 452 C LEU A 28 -1.097 0.715 -1.252 1.00 0.00 C ATOM 453 O LEU A 28 -1.841 0.891 -2.195 1.00 0.00 O ATOM 454 CB LEU A 28 0.803 -0.893 -1.314 1.00 0.00 C ATOM 455 CG LEU A 28 1.220 -1.462 -2.668 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.289 -0.605 -3.330 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.757 -2.873 -2.461 1.00 0.00 C ATOM 0 H LEU A 28 1.774 0.866 0.165 1.00 0.00 H new ATOM 0 HA LEU A 28 0.702 0.933 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.622 -0.994 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.037 -1.463 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 28 0.349 -1.473 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.561 -1.041 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.903 0.403 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.170 -0.562 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.059 -3.292 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.617 -2.840 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.979 -3.497 -2.021 1.00 0.00 H new ATOM 469 N GLN A 29 -1.556 0.642 -0.027 1.00 0.00 N ATOM 470 CA GLN A 29 -3.017 0.778 0.219 1.00 0.00 C ATOM 471 C GLN A 29 -3.509 2.045 -0.478 1.00 0.00 C ATOM 472 O GLN A 29 -4.571 2.062 -1.069 1.00 0.00 O ATOM 473 CB GLN A 29 -3.286 0.870 1.731 1.00 0.00 C ATOM 474 CG GLN A 29 -4.628 1.565 1.991 1.00 0.00 C ATOM 475 CD GLN A 29 -4.839 1.722 3.497 1.00 0.00 C ATOM 476 OE1 GLN A 29 -4.429 0.880 4.272 1.00 0.00 O ATOM 477 NE2 GLN A 29 -5.464 2.774 3.950 1.00 0.00 N ATOM 0 H GLN A 29 -0.984 0.495 0.805 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.545 -0.091 -0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.295 -0.129 2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.482 1.423 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.643 2.542 1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.441 0.982 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.809 3.481 3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.608 2.889 4.953 1.00 0.00 H new ATOM 486 N ILE A 30 -2.749 3.107 -0.429 1.00 0.00 N ATOM 487 CA ILE A 30 -3.206 4.343 -1.111 1.00 0.00 C ATOM 488 C ILE A 30 -3.234 4.083 -2.607 1.00 0.00 C ATOM 489 O ILE A 30 -4.169 4.433 -3.290 1.00 0.00 O ATOM 490 CB ILE A 30 -2.260 5.511 -0.792 1.00 0.00 C ATOM 491 CG1 ILE A 30 -3.119 6.766 -0.604 1.00 0.00 C ATOM 492 CG2 ILE A 30 -1.246 5.728 -1.934 1.00 0.00 C ATOM 493 CD1 ILE A 30 -2.276 8.028 -0.815 1.00 0.00 C ATOM 0 H ILE A 30 -1.848 3.169 0.046 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.203 4.612 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.692 5.292 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.950 6.754 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.550 6.772 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.588 6.560 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.652 4.824 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.780 5.953 -2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.901 8.910 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.460 8.046 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.866 8.027 -1.825 1.00 0.00 H new ATOM 505 N VAL A 31 -2.217 3.453 -3.119 1.00 0.00 N ATOM 506 CA VAL A 31 -2.219 3.160 -4.578 1.00 0.00 C ATOM 507 C VAL A 31 -3.509 2.426 -4.896 1.00 0.00 C ATOM 508 O VAL A 31 -4.274 2.805 -5.762 1.00 0.00 O ATOM 509 CB VAL A 31 -1.041 2.263 -4.949 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.816 2.337 -6.458 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.209 2.737 -4.213 1.00 0.00 C ATOM 0 H VAL A 31 -1.398 3.133 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.137 4.090 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.253 1.233 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.024 1.699 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.713 1.999 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.598 3.366 -6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.051 2.097 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.431 3.765 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.039 2.687 -3.138 1.00 0.00 H new ATOM 521 N PHE A 32 -3.741 1.369 -4.183 1.00 0.00 N ATOM 522 CA PHE A 32 -4.976 0.564 -4.400 1.00 0.00 C ATOM 523 C PHE A 32 -6.222 1.450 -4.258 1.00 0.00 C ATOM 524 O PHE A 32 -7.162 1.345 -5.025 1.00 0.00 O ATOM 525 CB PHE A 32 -5.032 -0.546 -3.350 1.00 0.00 C ATOM 526 CG PHE A 32 -3.741 -1.343 -3.359 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.775 -1.128 -4.358 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.507 -2.303 -2.363 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.590 -1.871 -4.353 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.320 -3.044 -2.365 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.367 -2.829 -3.356 1.00 0.00 C ATOM 0 H PHE A 32 -3.124 1.020 -3.450 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.955 0.139 -5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.194 -0.114 -2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.876 -1.205 -3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.948 -0.390 -5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.245 -2.471 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.846 -1.706 -5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.143 -3.783 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.452 -3.403 -3.356 1.00 0.00 H new ATOM 541 N ASP A 33 -6.246 2.314 -3.277 1.00 0.00 N ATOM 542 CA ASP A 33 -7.444 3.185 -3.089 1.00 0.00 C ATOM 543 C ASP A 33 -7.550 4.184 -4.242 1.00 0.00 C ATOM 544 O ASP A 33 -8.627 4.484 -4.723 1.00 0.00 O ATOM 545 CB ASP A 33 -7.316 3.947 -1.769 1.00 0.00 C ATOM 546 CG ASP A 33 -8.470 3.561 -0.841 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.442 2.457 -0.322 1.00 0.00 O ATOM 548 OD2 ASP A 33 -9.361 4.375 -0.666 1.00 0.00 O ATOM 0 H ASP A 33 -5.494 2.454 -2.602 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.339 2.563 -3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.362 3.716 -1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.328 5.021 -1.954 1.00 0.00 H new ATOM 553 N PHE A 34 -6.443 4.709 -4.681 1.00 0.00 N ATOM 554 CA PHE A 34 -6.473 5.697 -5.791 1.00 0.00 C ATOM 555 C PHE A 34 -7.042 5.035 -7.049 1.00 0.00 C ATOM 556 O PHE A 34 -7.932 5.559 -7.689 1.00 0.00 O ATOM 557 CB PHE A 34 -5.037 6.205 -6.030 1.00 0.00 C ATOM 558 CG PHE A 34 -4.543 5.833 -7.410 1.00 0.00 C ATOM 559 CD1 PHE A 34 -5.096 6.440 -8.543 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.530 4.883 -7.549 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.633 6.095 -9.816 1.00 0.00 C ATOM 562 CE2 PHE A 34 -3.063 4.538 -8.818 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.616 5.144 -9.955 1.00 0.00 C ATOM 0 H PHE A 34 -5.514 4.495 -4.317 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.112 6.543 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.008 7.288 -5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.370 5.784 -5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.880 7.175 -8.434 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.107 4.414 -6.673 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.060 6.562 -10.691 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.277 3.805 -8.924 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.257 4.877 -10.938 1.00 0.00 H new ATOM 573 N VAL A 35 -6.534 3.889 -7.412 1.00 0.00 N ATOM 574 CA VAL A 35 -7.066 3.218 -8.637 1.00 0.00 C ATOM 575 C VAL A 35 -8.541 2.911 -8.428 1.00 0.00 C ATOM 576 O VAL A 35 -9.371 3.209 -9.263 1.00 0.00 O ATOM 577 CB VAL A 35 -6.344 1.896 -8.938 1.00 0.00 C ATOM 578 CG1 VAL A 35 -5.307 2.119 -10.038 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.639 1.361 -7.691 1.00 0.00 C ATOM 0 H VAL A 35 -5.787 3.394 -6.925 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.907 3.895 -9.477 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.087 1.167 -9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.795 1.181 -10.251 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.805 2.474 -10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.581 2.862 -9.708 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.136 0.424 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.905 2.090 -7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.373 1.187 -6.904 1.00 0.00 H new ATOM 589 N ALA A 36 -8.886 2.307 -7.329 1.00 0.00 N ATOM 590 CA ALA A 36 -10.317 1.985 -7.108 1.00 0.00 C ATOM 591 C ALA A 36 -11.151 3.244 -7.339 1.00 0.00 C ATOM 592 O ALA A 36 -12.178 3.209 -7.984 1.00 0.00 O ATOM 593 CB ALA A 36 -10.525 1.472 -5.683 1.00 0.00 C ATOM 0 H ALA A 36 -8.248 2.026 -6.584 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.629 1.207 -7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.579 1.238 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.928 0.573 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.217 2.238 -4.972 1.00 0.00 H new ATOM 599 N SER A 37 -10.711 4.357 -6.829 1.00 0.00 N ATOM 600 CA SER A 37 -11.476 5.616 -7.034 1.00 0.00 C ATOM 601 C SER A 37 -11.408 6.023 -8.508 1.00 0.00 C ATOM 602 O SER A 37 -12.129 6.894 -8.954 1.00 0.00 O ATOM 603 CB SER A 37 -10.872 6.726 -6.172 1.00 0.00 C ATOM 604 OG SER A 37 -11.866 7.228 -5.289 1.00 0.00 O ATOM 0 H SER A 37 -9.856 4.450 -6.280 1.00 0.00 H new ATOM 0 HA SER A 37 -12.516 5.458 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.025 6.341 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.493 7.528 -6.805 1.00 0.00 H new ATOM 0 HG SER A 37 -11.482 7.938 -4.734 1.00 0.00 H new ATOM 610 N LYS A 38 -10.536 5.414 -9.269 1.00 0.00 N ATOM 611 CA LYS A 38 -10.413 5.784 -10.702 1.00 0.00 C ATOM 612 C LYS A 38 -11.593 5.240 -11.517 1.00 0.00 C ATOM 613 O LYS A 38 -12.472 5.983 -11.907 1.00 0.00 O ATOM 614 CB LYS A 38 -9.107 5.216 -11.251 1.00 0.00 C ATOM 615 CG LYS A 38 -8.229 6.356 -11.776 1.00 0.00 C ATOM 616 CD LYS A 38 -8.129 7.452 -10.714 1.00 0.00 C ATOM 617 CE LYS A 38 -8.584 8.786 -11.309 1.00 0.00 C ATOM 618 NZ LYS A 38 -8.646 9.814 -10.232 1.00 0.00 N ATOM 0 H LYS A 38 -9.905 4.676 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.417 6.871 -10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.580 4.669 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.316 4.506 -12.052 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.236 5.981 -12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.652 6.762 -12.695 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.747 7.196 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.103 7.533 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.893 9.103 -12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.562 8.673 -11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.955 10.721 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.322 9.511 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.704 9.928 -9.806 1.00 0.00 H new ATOM 632 N GLY A 39 -11.618 3.962 -11.812 1.00 0.00 N ATOM 633 CA GLY A 39 -12.747 3.434 -12.636 1.00 0.00 C ATOM 634 C GLY A 39 -12.946 1.930 -12.445 1.00 0.00 C ATOM 635 O GLY A 39 -13.456 1.258 -13.319 1.00 0.00 O ATOM 0 H GLY A 39 -10.921 3.276 -11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.665 3.957 -12.369 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.555 3.643 -13.689 1.00 0.00 H new ATOM 745 N LYS A 46 -6.500 -5.831 -6.898 1.00 0.00 N ATOM 746 CA LYS A 46 -5.066 -6.230 -6.913 1.00 0.00 C ATOM 747 C LYS A 46 -4.418 -5.795 -8.222 1.00 0.00 C ATOM 748 O LYS A 46 -4.859 -6.142 -9.297 1.00 0.00 O ATOM 749 CB LYS A 46 -4.957 -7.750 -6.772 1.00 0.00 C ATOM 750 CG LYS A 46 -4.098 -8.091 -5.552 1.00 0.00 C ATOM 751 CD LYS A 46 -5.000 -8.304 -4.335 1.00 0.00 C ATOM 752 CE LYS A 46 -5.535 -6.955 -3.854 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.415 -7.162 -2.669 1.00 0.00 N ATOM 0 HA LYS A 46 -4.553 -5.747 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.949 -8.188 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.515 -8.178 -7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.513 -8.990 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.390 -7.286 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.828 -8.964 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.441 -8.791 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.707 -6.295 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.093 -6.467 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.779 -6.244 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.212 -7.777 -2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.869 -7.610 -1.905 1.00 0.00 H new ATOM 767 N LEU A 47 -3.361 -5.044 -8.129 1.00 0.00 N ATOM 768 CA LEU A 47 -2.652 -4.583 -9.348 1.00 0.00 C ATOM 769 C LEU A 47 -1.485 -5.532 -9.615 1.00 0.00 C ATOM 770 O LEU A 47 -0.953 -6.126 -8.709 1.00 0.00 O ATOM 771 CB LEU A 47 -2.129 -3.172 -9.111 1.00 0.00 C ATOM 772 CG LEU A 47 -3.305 -2.252 -8.792 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.890 -1.252 -7.715 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.720 -1.511 -10.059 1.00 0.00 C ATOM 0 H LEU A 47 -2.954 -4.727 -7.249 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.325 -4.577 -10.206 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.415 -3.169 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.600 -2.814 -9.994 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.147 -2.840 -8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.729 -0.595 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.594 -1.789 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.050 -0.657 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.560 -0.852 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.881 -0.919 -10.425 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.016 -2.232 -10.822 1.00 0.00 H new ATOM 786 N LEU A 48 -1.091 -5.698 -10.842 1.00 0.00 N ATOM 787 CA LEU A 48 0.038 -6.625 -11.129 1.00 0.00 C ATOM 788 C LEU A 48 1.254 -5.807 -11.573 1.00 0.00 C ATOM 789 O LEU A 48 1.190 -5.056 -12.525 1.00 0.00 O ATOM 790 CB LEU A 48 -0.381 -7.604 -12.236 1.00 0.00 C ATOM 791 CG LEU A 48 0.847 -8.268 -12.872 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.467 -7.325 -13.905 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.879 -8.598 -11.792 1.00 0.00 C ATOM 0 H LEU A 48 -1.497 -5.236 -11.656 1.00 0.00 H new ATOM 0 HA LEU A 48 0.297 -7.193 -10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.039 -8.368 -11.822 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.950 -7.074 -13.000 1.00 0.00 H new ATOM 0 HG LEU A 48 0.538 -9.190 -13.365 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.339 -7.800 -14.354 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.734 -7.103 -14.681 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.770 -6.399 -13.417 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.748 -9.069 -12.251 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.186 -7.681 -11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.439 -9.280 -11.064 1.00 0.00 H new ATOM 805 N SER A 49 2.363 -5.942 -10.891 1.00 0.00 N ATOM 806 CA SER A 49 3.566 -5.162 -11.289 1.00 0.00 C ATOM 807 C SER A 49 4.175 -5.806 -12.534 1.00 0.00 C ATOM 808 O SER A 49 4.514 -6.977 -12.537 1.00 0.00 O ATOM 809 CB SER A 49 4.592 -5.166 -10.155 1.00 0.00 C ATOM 810 OG SER A 49 4.255 -6.180 -9.217 1.00 0.00 O ATOM 0 H SER A 49 2.484 -6.553 -10.084 1.00 0.00 H new ATOM 0 HA SER A 49 3.282 -4.131 -11.500 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.591 -5.342 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.612 -4.193 -9.664 1.00 0.00 H new ATOM 0 HG SER A 49 4.155 -7.036 -9.683 1.00 0.00 H new ATOM 816 N THR A 50 4.291 -5.052 -13.593 1.00 0.00 N ATOM 817 CA THR A 50 4.847 -5.605 -14.859 1.00 0.00 C ATOM 818 C THR A 50 6.374 -5.689 -14.790 1.00 0.00 C ATOM 819 O THR A 50 6.959 -6.678 -15.188 1.00 0.00 O ATOM 820 CB THR A 50 4.440 -4.699 -16.023 1.00 0.00 C ATOM 821 OG1 THR A 50 5.137 -3.464 -15.925 1.00 0.00 O ATOM 822 CG2 THR A 50 2.933 -4.443 -15.970 1.00 0.00 C ATOM 0 H THR A 50 4.022 -4.069 -13.635 1.00 0.00 H new ATOM 0 HA THR A 50 4.451 -6.610 -15.008 1.00 0.00 H new ATOM 0 HB THR A 50 4.690 -5.184 -16.967 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.678 -2.879 -15.286 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.644 -3.798 -16.800 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.400 -5.391 -16.045 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.679 -3.958 -15.027 1.00 0.00 H new ATOM 830 N PHE A 51 7.032 -4.668 -14.305 1.00 0.00 N ATOM 831 CA PHE A 51 8.519 -4.725 -14.242 1.00 0.00 C ATOM 832 C PHE A 51 8.948 -6.091 -13.693 1.00 0.00 C ATOM 833 O PHE A 51 9.564 -6.862 -14.402 1.00 0.00 O ATOM 834 CB PHE A 51 9.060 -3.596 -13.362 1.00 0.00 C ATOM 835 CG PHE A 51 9.810 -2.604 -14.219 1.00 0.00 C ATOM 836 CD1 PHE A 51 9.109 -1.739 -15.068 1.00 0.00 C ATOM 837 CD2 PHE A 51 11.208 -2.549 -14.162 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.807 -0.820 -15.861 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.905 -1.630 -14.955 1.00 0.00 C ATOM 840 CZ PHE A 51 11.204 -0.765 -15.804 1.00 0.00 C ATOM 0 H PHE A 51 6.609 -3.809 -13.954 1.00 0.00 H new ATOM 0 HA PHE A 51 8.929 -4.596 -15.243 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.239 -3.099 -12.845 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.720 -4.002 -12.596 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.031 -1.781 -15.111 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.748 -3.216 -13.506 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.267 -0.153 -16.517 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.983 -1.588 -14.912 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.742 -0.055 -16.415 1.00 0.00 H new ATOM 850 N PRO A 52 8.595 -6.377 -12.459 1.00 0.00 N ATOM 851 CA PRO A 52 8.925 -7.669 -11.841 1.00 0.00 C ATOM 852 C PRO A 52 7.900 -8.716 -12.284 1.00 0.00 C ATOM 853 O PRO A 52 8.086 -9.903 -12.103 1.00 0.00 O ATOM 854 CB PRO A 52 8.788 -7.402 -10.342 1.00 0.00 C ATOM 855 CG PRO A 52 7.838 -6.190 -10.207 1.00 0.00 C ATOM 856 CD PRO A 52 7.850 -5.461 -11.565 1.00 0.00 C ATOM 0 HA PRO A 52 9.913 -8.040 -12.113 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.384 -8.273 -9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.758 -7.188 -9.894 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.830 -6.516 -9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.170 -5.526 -9.409 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.839 -5.282 -11.930 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.339 -4.490 -11.492 1.00 0.00 H new ATOM 864 N ARG A 53 6.807 -8.275 -12.853 1.00 0.00 N ATOM 865 CA ARG A 53 5.754 -9.231 -13.296 1.00 0.00 C ATOM 866 C ARG A 53 5.260 -10.012 -12.080 1.00 0.00 C ATOM 867 O ARG A 53 5.161 -11.222 -12.105 1.00 0.00 O ATOM 868 CB ARG A 53 6.337 -10.199 -14.328 1.00 0.00 C ATOM 869 CG ARG A 53 5.734 -9.900 -15.703 1.00 0.00 C ATOM 870 CD ARG A 53 6.702 -10.354 -16.797 1.00 0.00 C ATOM 871 NE ARG A 53 6.426 -9.593 -18.049 1.00 0.00 N ATOM 872 CZ ARG A 53 7.161 -9.790 -19.109 1.00 0.00 C ATOM 873 NH1 ARG A 53 7.936 -8.838 -19.552 1.00 0.00 N ATOM 874 NH2 ARG A 53 7.121 -10.940 -19.727 1.00 0.00 N ATOM 0 H ARG A 53 6.600 -7.292 -13.029 1.00 0.00 H new ATOM 0 HA ARG A 53 4.926 -8.687 -13.750 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.422 -10.099 -14.365 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.122 -11.228 -14.040 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.779 -10.414 -15.812 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.535 -8.833 -15.800 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.731 -10.190 -16.478 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.590 -11.423 -16.976 1.00 0.00 H new ATOM 0 HE ARG A 53 5.662 -8.918 -18.077 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.967 -7.940 -19.070 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.511 -8.992 -20.381 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.515 -11.684 -19.381 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.696 -11.094 -20.556 1.00 0.00 H new ATOM 888 N ARG A 54 4.963 -9.327 -11.008 1.00 0.00 N ATOM 889 CA ARG A 54 4.489 -10.038 -9.785 1.00 0.00 C ATOM 890 C ARG A 54 3.295 -9.303 -9.170 1.00 0.00 C ATOM 891 O ARG A 54 2.998 -8.178 -9.516 1.00 0.00 O ATOM 892 CB ARG A 54 5.630 -10.103 -8.767 1.00 0.00 C ATOM 893 CG ARG A 54 5.829 -8.730 -8.121 1.00 0.00 C ATOM 894 CD ARG A 54 6.821 -8.852 -6.963 1.00 0.00 C ATOM 895 NE ARG A 54 6.119 -9.392 -5.764 1.00 0.00 N ATOM 896 CZ ARG A 54 6.216 -10.658 -5.466 1.00 0.00 C ATOM 897 NH1 ARG A 54 5.288 -11.492 -5.849 1.00 0.00 N ATOM 898 NH2 ARG A 54 7.242 -11.092 -4.785 1.00 0.00 N ATOM 0 H ARG A 54 5.027 -8.312 -10.926 1.00 0.00 H new ATOM 0 HA ARG A 54 4.177 -11.046 -10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.405 -10.846 -8.002 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.550 -10.421 -9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.200 -8.019 -8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.876 -8.345 -7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.644 -9.509 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.254 -7.878 -6.736 1.00 0.00 H new ATOM 0 HE ARG A 54 5.563 -8.771 -5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.487 -11.154 -6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.364 -12.482 -5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.968 -10.441 -4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.318 -12.082 -4.552 1.00 0.00 H new ATOM 912 N ASP A 55 2.615 -9.935 -8.251 1.00 0.00 N ATOM 913 CA ASP A 55 1.442 -9.285 -7.602 1.00 0.00 C ATOM 914 C ASP A 55 1.838 -7.899 -7.087 1.00 0.00 C ATOM 915 O ASP A 55 2.623 -7.778 -6.172 1.00 0.00 O ATOM 916 CB ASP A 55 0.967 -10.147 -6.432 1.00 0.00 C ATOM 917 CG ASP A 55 -0.514 -9.872 -6.163 1.00 0.00 C ATOM 918 OD1 ASP A 55 -0.891 -8.711 -6.173 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.244 -10.825 -5.951 1.00 0.00 O ATOM 0 H ASP A 55 2.823 -10.877 -7.921 1.00 0.00 H new ATOM 0 HA ASP A 55 0.638 -9.182 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.116 -11.202 -6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.556 -9.927 -5.542 1.00 0.00 H new ATOM 924 N VAL A 56 1.284 -6.870 -7.686 1.00 0.00 N ATOM 925 CA VAL A 56 1.573 -5.450 -7.293 1.00 0.00 C ATOM 926 C VAL A 56 2.870 -5.331 -6.498 1.00 0.00 C ATOM 927 O VAL A 56 2.938 -5.675 -5.346 1.00 0.00 O ATOM 928 CB VAL A 56 0.404 -4.878 -6.485 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.432 -5.412 -5.057 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.507 -3.351 -6.465 1.00 0.00 C ATOM 0 H VAL A 56 0.622 -6.959 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 56 1.696 -4.874 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.534 -5.181 -6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.405 -4.996 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.353 -6.499 -5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.368 -5.123 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.323 -2.938 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.450 -3.056 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.467 -2.970 -7.486 1.00 0.00 H new ATOM 940 N THR A 57 3.881 -4.818 -7.139 1.00 0.00 N ATOM 941 CA THR A 57 5.226 -4.621 -6.507 1.00 0.00 C ATOM 942 C THR A 57 5.308 -5.160 -5.064 1.00 0.00 C ATOM 943 O THR A 57 5.200 -4.423 -4.108 1.00 0.00 O ATOM 944 CB THR A 57 5.571 -3.125 -6.514 1.00 0.00 C ATOM 945 OG1 THR A 57 6.294 -2.809 -5.338 1.00 0.00 O ATOM 946 CG2 THR A 57 4.285 -2.287 -6.567 1.00 0.00 C ATOM 0 H THR A 57 3.833 -4.514 -8.112 1.00 0.00 H new ATOM 0 HA THR A 57 5.943 -5.192 -7.097 1.00 0.00 H new ATOM 0 HB THR A 57 6.176 -2.899 -7.392 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.962 -2.121 -5.540 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.541 -1.228 -6.572 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.729 -2.530 -7.473 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.670 -2.508 -5.694 1.00 0.00 H new ATOM 954 N GLN A 58 5.545 -6.436 -4.915 1.00 0.00 N ATOM 955 CA GLN A 58 5.706 -7.037 -3.544 1.00 0.00 C ATOM 956 C GLN A 58 4.370 -7.259 -2.819 1.00 0.00 C ATOM 957 O GLN A 58 4.321 -7.963 -1.831 1.00 0.00 O ATOM 958 CB GLN A 58 6.589 -6.120 -2.693 1.00 0.00 C ATOM 959 CG GLN A 58 7.826 -6.891 -2.230 1.00 0.00 C ATOM 960 CD GLN A 58 9.082 -6.228 -2.795 1.00 0.00 C ATOM 961 OE1 GLN A 58 10.004 -5.923 -2.064 1.00 0.00 O ATOM 962 NE2 GLN A 58 9.159 -5.989 -4.076 1.00 0.00 N ATOM 0 H GLN A 58 5.636 -7.098 -5.685 1.00 0.00 H new ATOM 0 HA GLN A 58 6.165 -8.016 -3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.887 -5.246 -3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.030 -5.756 -1.831 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.870 -6.909 -1.141 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.768 -7.927 -2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.386 -6.245 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.993 -5.547 -4.463 1.00 0.00 H new ATOM 971 N LEU A 59 3.298 -6.681 -3.275 1.00 0.00 N ATOM 972 CA LEU A 59 1.993 -6.888 -2.582 1.00 0.00 C ATOM 973 C LEU A 59 2.014 -6.205 -1.214 1.00 0.00 C ATOM 974 O LEU A 59 2.874 -5.398 -0.926 1.00 0.00 O ATOM 975 CB LEU A 59 1.739 -8.387 -2.400 1.00 0.00 C ATOM 976 CG LEU A 59 0.704 -8.849 -3.421 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.650 -10.378 -3.436 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.671 -8.295 -3.040 1.00 0.00 C ATOM 0 H LEU A 59 3.265 -6.075 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 59 1.197 -6.454 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.667 -8.943 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.385 -8.588 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 59 0.982 -8.485 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.089 -10.709 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.629 -10.774 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.372 -10.742 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.411 -8.625 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.949 -8.659 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.634 -7.206 -3.028 1.00 0.00 H new ATOM 990 N ASP A 60 1.064 -6.522 -0.373 1.00 0.00 N ATOM 991 CA ASP A 60 1.015 -5.893 0.978 1.00 0.00 C ATOM 992 C ASP A 60 0.476 -4.463 0.854 1.00 0.00 C ATOM 993 O ASP A 60 1.234 -3.525 0.692 1.00 0.00 O ATOM 994 CB ASP A 60 2.421 -5.867 1.582 1.00 0.00 C ATOM 995 CG ASP A 60 3.107 -7.212 1.335 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.480 -8.230 1.582 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.248 -7.203 0.902 1.00 0.00 O ATOM 0 H ASP A 60 0.319 -7.191 -0.565 1.00 0.00 H new ATOM 0 HA ASP A 60 0.358 -6.471 1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.005 -5.062 1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.365 -5.666 2.652 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.825 -4.341 0.944 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.510 -3.039 0.842 1.00 0.00 C ATOM 1004 C PRO A 61 -1.220 -2.190 2.073 1.00 0.00 C ATOM 1005 O PRO A 61 -1.450 -0.997 2.094 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.995 -3.412 0.749 1.00 0.00 C ATOM 1007 CG PRO A 61 -3.119 -4.836 1.336 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.730 -5.484 1.190 1.00 0.00 C ATOM 0 HA PRO A 61 -1.183 -2.445 -0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.609 -2.706 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.339 -3.386 -0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.424 -4.801 2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.875 -5.412 0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.448 -6.030 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.707 -6.196 0.365 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.695 -2.802 3.087 1.00 0.00 N ATOM 1017 CA ASN A 62 -0.368 -2.052 4.328 1.00 0.00 C ATOM 1018 C ASN A 62 1.117 -1.692 4.318 1.00 0.00 C ATOM 1019 O ASN A 62 1.629 -1.100 5.248 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.673 -2.923 5.549 1.00 0.00 C ATOM 1021 CG ASN A 62 -2.115 -2.684 6.001 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -2.381 -2.552 7.179 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -3.063 -2.624 5.107 1.00 0.00 N ATOM 0 H ASN A 62 -0.475 -3.798 3.113 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.967 -1.143 4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.528 -3.975 5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.017 -2.686 6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.028 -2.466 5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.839 -2.735 4.118 1.00 0.00 H new ATOM 1030 N LYS A 63 1.814 -2.047 3.274 1.00 0.00 N ATOM 1031 CA LYS A 63 3.262 -1.726 3.208 1.00 0.00 C ATOM 1032 C LYS A 63 3.454 -0.345 2.586 1.00 0.00 C ATOM 1033 O LYS A 63 2.598 0.164 1.887 1.00 0.00 O ATOM 1034 CB LYS A 63 3.984 -2.770 2.356 1.00 0.00 C ATOM 1035 CG LYS A 63 5.184 -3.319 3.132 1.00 0.00 C ATOM 1036 CD LYS A 63 4.934 -4.784 3.492 1.00 0.00 C ATOM 1037 CE LYS A 63 4.122 -4.861 4.786 1.00 0.00 C ATOM 1038 NZ LYS A 63 5.025 -4.653 5.952 1.00 0.00 N ATOM 0 H LYS A 63 1.441 -2.545 2.466 1.00 0.00 H new ATOM 0 HA LYS A 63 3.675 -1.732 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.302 -3.580 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.316 -2.324 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.090 -3.231 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.343 -2.733 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.398 -5.282 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.883 -5.306 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.337 -4.105 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.630 -5.831 4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.871 -5.409 6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.015 -4.673 5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.821 -3.732 6.389 1.00 0.00 H new ATOM 1052 N SER A 64 4.582 0.257 2.826 1.00 0.00 N ATOM 1053 CA SER A 64 4.852 1.598 2.247 1.00 0.00 C ATOM 1054 C SER A 64 5.521 1.383 0.896 1.00 0.00 C ATOM 1055 O SER A 64 5.833 0.268 0.533 1.00 0.00 O ATOM 1056 CB SER A 64 5.783 2.384 3.171 1.00 0.00 C ATOM 1057 OG SER A 64 7.125 1.973 2.946 1.00 0.00 O ATOM 0 H SER A 64 5.333 -0.125 3.402 1.00 0.00 H new ATOM 0 HA SER A 64 3.927 2.164 2.133 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.682 3.453 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.508 2.215 4.212 1.00 0.00 H new ATOM 0 HG SER A 64 7.724 2.476 3.536 1.00 0.00 H new ATOM 1063 N LEU A 65 5.722 2.412 0.128 1.00 0.00 N ATOM 1064 CA LEU A 65 6.333 2.195 -1.207 1.00 0.00 C ATOM 1065 C LEU A 65 7.809 1.845 -1.062 1.00 0.00 C ATOM 1066 O LEU A 65 8.288 0.953 -1.714 1.00 0.00 O ATOM 1067 CB LEU A 65 6.174 3.447 -2.058 1.00 0.00 C ATOM 1068 CG LEU A 65 4.765 3.463 -2.648 1.00 0.00 C ATOM 1069 CD1 LEU A 65 4.575 4.723 -3.471 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.561 2.254 -3.557 1.00 0.00 C ATOM 0 H LEU A 65 5.494 3.379 0.361 1.00 0.00 H new ATOM 0 HA LEU A 65 5.825 1.364 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.340 4.338 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.917 3.459 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 65 4.044 3.433 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.570 4.734 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.712 5.597 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.307 4.744 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.553 2.276 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.288 2.282 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.696 1.339 -2.981 1.00 0.00 H new ATOM 1082 N LEU A 66 8.542 2.511 -0.219 1.00 0.00 N ATOM 1083 CA LEU A 66 9.983 2.146 -0.088 1.00 0.00 C ATOM 1084 C LEU A 66 10.105 0.634 0.104 1.00 0.00 C ATOM 1085 O LEU A 66 10.902 -0.019 -0.543 1.00 0.00 O ATOM 1086 CB LEU A 66 10.602 2.857 1.125 1.00 0.00 C ATOM 1087 CG LEU A 66 11.092 4.278 0.775 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.227 4.479 -0.739 1.00 0.00 C ATOM 1089 CD2 LEU A 66 10.100 5.298 1.336 1.00 0.00 C ATOM 0 H LEU A 66 8.219 3.276 0.374 1.00 0.00 H new ATOM 0 HA LEU A 66 10.510 2.453 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.865 2.915 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.438 2.268 1.503 1.00 0.00 H new ATOM 0 HG LEU A 66 12.079 4.416 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.574 5.492 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.945 3.763 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.258 4.325 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.438 6.306 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.117 5.129 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.037 5.187 2.419 1.00 0.00 H new ATOM 1101 N GLU A 67 9.320 0.067 0.973 1.00 0.00 N ATOM 1102 CA GLU A 67 9.407 -1.410 1.184 1.00 0.00 C ATOM 1103 C GLU A 67 9.080 -2.115 -0.130 1.00 0.00 C ATOM 1104 O GLU A 67 9.640 -3.143 -0.450 1.00 0.00 O ATOM 1105 CB GLU A 67 8.415 -1.887 2.261 1.00 0.00 C ATOM 1106 CG GLU A 67 7.806 -0.702 3.007 1.00 0.00 C ATOM 1107 CD GLU A 67 7.148 -1.194 4.298 1.00 0.00 C ATOM 1108 OE1 GLU A 67 7.356 -2.346 4.643 1.00 0.00 O ATOM 1109 OE2 GLU A 67 6.447 -0.412 4.918 1.00 0.00 O ATOM 0 H GLU A 67 8.627 0.552 1.543 1.00 0.00 H new ATOM 0 HA GLU A 67 10.417 -1.649 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.623 -2.475 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.926 -2.542 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.578 0.032 3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.069 -0.203 2.378 1.00 0.00 H new ATOM 1116 N VAL A 68 8.178 -1.568 -0.898 1.00 0.00 N ATOM 1117 CA VAL A 68 7.825 -2.217 -2.192 1.00 0.00 C ATOM 1118 C VAL A 68 8.448 -1.443 -3.356 1.00 0.00 C ATOM 1119 O VAL A 68 8.087 -1.646 -4.495 1.00 0.00 O ATOM 1120 CB VAL A 68 6.306 -2.268 -2.358 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.692 -3.064 -1.207 1.00 0.00 C ATOM 1122 CG2 VAL A 68 5.725 -0.856 -2.363 1.00 0.00 C ATOM 0 H VAL A 68 7.674 -0.707 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 68 8.217 -3.234 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 68 6.073 -2.751 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.609 -3.100 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.091 -4.078 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.937 -2.583 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.643 -0.908 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.963 -0.361 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.154 -0.289 -3.189 1.00 0.00 H new ATOM 1132 N LYS A 69 9.387 -0.572 -3.065 1.00 0.00 N ATOM 1133 CA LYS A 69 10.085 0.250 -4.114 1.00 0.00 C ATOM 1134 C LYS A 69 9.489 0.069 -5.514 1.00 0.00 C ATOM 1135 O LYS A 69 9.971 -0.722 -6.296 1.00 0.00 O ATOM 1136 CB LYS A 69 11.572 -0.132 -4.174 1.00 0.00 C ATOM 1137 CG LYS A 69 11.797 -1.548 -3.619 1.00 0.00 C ATOM 1138 CD LYS A 69 11.093 -2.596 -4.494 1.00 0.00 C ATOM 1139 CE LYS A 69 11.656 -2.584 -5.916 1.00 0.00 C ATOM 1140 NZ LYS A 69 12.544 -3.765 -6.110 1.00 0.00 N ATOM 0 H LYS A 69 9.710 -0.390 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 69 9.954 1.292 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.924 -0.081 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.159 0.585 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.865 -1.761 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.420 -1.607 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.220 -3.586 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.022 -2.394 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.842 -2.605 -6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.214 -1.664 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.927 -3.757 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.328 -3.726 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.998 -4.638 -5.961 1.00 0.00 H new ATOM 1207 N GLN A 73 9.891 4.533 -12.367 1.00 0.00 N ATOM 1208 CA GLN A 73 8.857 4.444 -13.436 1.00 0.00 C ATOM 1209 C GLN A 73 8.425 2.982 -13.581 1.00 0.00 C ATOM 1210 O GLN A 73 9.181 2.149 -14.038 1.00 0.00 O ATOM 1211 CB GLN A 73 9.444 4.941 -14.757 1.00 0.00 C ATOM 1212 CG GLN A 73 10.360 6.136 -14.489 1.00 0.00 C ATOM 1213 CD GLN A 73 10.419 7.026 -15.732 1.00 0.00 C ATOM 1214 OE1 GLN A 73 10.099 6.590 -16.820 1.00 0.00 O ATOM 1215 NE2 GLN A 73 10.816 8.263 -15.616 1.00 0.00 N ATOM 0 HA GLN A 73 7.997 5.060 -13.175 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.004 4.142 -15.242 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.643 5.228 -15.438 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.990 6.707 -13.638 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.360 5.789 -14.230 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.085 8.629 -14.703 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.858 8.864 -16.439 1.00 0.00 H new ATOM 1224 N GLU A 74 7.220 2.657 -13.194 1.00 0.00 N ATOM 1225 CA GLU A 74 6.767 1.239 -13.315 1.00 0.00 C ATOM 1226 C GLU A 74 5.318 1.189 -13.804 1.00 0.00 C ATOM 1227 O GLU A 74 4.521 2.057 -13.509 1.00 0.00 O ATOM 1228 CB GLU A 74 6.872 0.549 -11.952 1.00 0.00 C ATOM 1229 CG GLU A 74 8.343 0.354 -11.594 1.00 0.00 C ATOM 1230 CD GLU A 74 8.497 -0.919 -10.758 1.00 0.00 C ATOM 1231 OE1 GLU A 74 7.573 -1.243 -10.032 1.00 0.00 O ATOM 1232 OE2 GLU A 74 9.538 -1.547 -10.860 1.00 0.00 O ATOM 0 H GLU A 74 6.535 3.304 -12.803 1.00 0.00 H new ATOM 0 HA GLU A 74 7.403 0.724 -14.035 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.377 1.150 -11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.362 -0.414 -11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.943 0.282 -12.501 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.711 1.215 -11.036 1.00 0.00 H new ATOM 1239 N THR A 75 4.970 0.172 -14.549 1.00 0.00 N ATOM 1240 CA THR A 75 3.571 0.061 -15.051 1.00 0.00 C ATOM 1241 C THR A 75 2.875 -1.114 -14.358 1.00 0.00 C ATOM 1242 O THR A 75 3.423 -2.193 -14.246 1.00 0.00 O ATOM 1243 CB THR A 75 3.585 -0.174 -16.565 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.153 0.957 -17.212 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.155 -0.386 -17.065 1.00 0.00 C ATOM 0 H THR A 75 5.594 -0.584 -14.830 1.00 0.00 H new ATOM 0 HA THR A 75 3.033 0.984 -14.834 1.00 0.00 H new ATOM 0 HB THR A 75 4.180 -1.059 -16.790 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.165 0.808 -18.181 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.167 -0.553 -18.142 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.721 -1.254 -16.568 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.557 0.497 -16.842 1.00 0.00 H new ATOM 1253 N LEU A 76 1.675 -0.913 -13.883 1.00 0.00 N ATOM 1254 CA LEU A 76 0.951 -2.018 -13.189 1.00 0.00 C ATOM 1255 C LEU A 76 -0.297 -2.408 -13.986 1.00 0.00 C ATOM 1256 O LEU A 76 -0.745 -1.677 -14.839 1.00 0.00 O ATOM 1257 CB LEU A 76 0.525 -1.554 -11.799 1.00 0.00 C ATOM 1258 CG LEU A 76 1.406 -2.215 -10.742 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.763 -1.192 -9.667 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.637 -3.367 -10.102 1.00 0.00 C ATOM 0 H LEU A 76 1.165 -0.032 -13.945 1.00 0.00 H new ATOM 0 HA LEU A 76 1.615 -2.879 -13.108 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.606 -0.469 -11.727 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.521 -1.808 -11.625 1.00 0.00 H new ATOM 0 HG LEU A 76 2.318 -2.590 -11.206 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.392 -1.663 -8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.302 -0.360 -10.121 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.850 -0.822 -9.200 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.260 -3.844 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.271 -2.984 -9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.372 -4.097 -10.867 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.864 -3.553 -13.705 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.096 -3.992 -14.433 1.00 0.00 C ATOM 1274 C PHE A 77 -3.229 -4.188 -13.417 1.00 0.00 C ATOM 1275 O PHE A 77 -2.994 -4.542 -12.282 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.826 -5.313 -15.160 1.00 0.00 C ATOM 1277 CG PHE A 77 -0.794 -5.115 -16.247 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.562 -3.841 -16.786 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.067 -6.214 -16.721 1.00 0.00 C ATOM 1280 CE1 PHE A 77 0.393 -3.671 -17.795 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.888 -6.043 -17.730 1.00 0.00 C ATOM 1282 CZ PHE A 77 1.118 -4.771 -18.267 1.00 0.00 C ATOM 0 H PHE A 77 -0.526 -4.207 -12.999 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.379 -3.235 -15.165 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.476 -6.062 -14.449 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.751 -5.693 -15.593 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.120 -2.991 -16.422 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.244 -7.196 -16.307 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.571 -2.690 -18.210 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.447 -6.892 -18.094 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.855 -4.639 -19.045 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.457 -3.951 -13.797 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.572 -4.120 -12.814 1.00 0.00 C ATOM 1294 C LEU A 78 -6.026 -5.582 -12.767 1.00 0.00 C ATOM 1295 O LEU A 78 -6.223 -6.223 -13.780 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.758 -3.239 -13.203 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.301 -2.549 -11.949 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.185 -1.038 -12.112 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.773 -2.919 -11.732 1.00 0.00 C ATOM 0 H LEU A 78 -4.736 -3.652 -14.731 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.207 -3.824 -11.831 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.449 -2.495 -13.938 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.538 -3.842 -13.668 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.720 -2.878 -11.087 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.571 -0.545 -11.220 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.139 -0.766 -12.252 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.762 -0.720 -12.981 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.145 -2.421 -10.837 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.359 -2.601 -12.594 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.863 -3.998 -11.610 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.201 -6.102 -11.582 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.654 -7.512 -11.421 1.00 0.00 C ATOM 1313 C GLU A 79 -7.539 -7.587 -10.176 1.00 0.00 C ATOM 1314 O GLU A 79 -7.374 -6.820 -9.248 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.439 -8.427 -11.247 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.649 -9.713 -12.048 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.350 -10.522 -12.066 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.603 -10.426 -11.107 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -4.124 -11.222 -13.039 1.00 0.00 O ATOM 0 H GLU A 79 -6.047 -5.601 -10.707 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.211 -7.834 -12.301 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.536 -7.919 -11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.296 -8.662 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.451 -10.303 -11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.955 -9.474 -13.066 1.00 0.00 H new