USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 17 GLN : amide:sc= -1.76! C(o=-1.8!,f=-1.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.19) USER MOD Single : A 27 MET CE :methyl 149:sc= -0.357 (180deg=-1.29!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 96:sc= 0.664 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 130:sc= -0.0968 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 10 8.797 -13.184 -9.045 1.00 74.24 N ATOM 101 CA TRP A 10 8.375 -12.345 -10.161 1.00 61.15 C ATOM 102 C TRP A 10 7.426 -13.102 -11.084 1.00 31.34 C ATOM 103 O TRP A 10 6.719 -12.500 -11.892 1.00 65.02 O ATOM 104 CB TRP A 10 9.593 -11.860 -10.950 1.00 12.13 C ATOM 105 CG TRP A 10 10.282 -12.952 -11.710 1.00 71.13 C ATOM 106 CD1 TRP A 10 10.950 -14.021 -11.185 1.00 30.12 C ATOM 107 CD2 TRP A 10 10.372 -13.080 -13.133 1.00 72.44 C ATOM 108 NE1 TRP A 10 11.450 -14.806 -12.196 1.00 32.23 N ATOM 109 CE2 TRP A 10 11.108 -14.251 -13.400 1.00 60.25 C ATOM 110 CE3 TRP A 10 9.900 -12.322 -14.208 1.00 3.50 C ATOM 111 CZ2 TRP A 10 11.383 -14.678 -14.697 1.00 43.40 C ATOM 112 CZ3 TRP A 10 10.175 -12.746 -15.494 1.00 54.12 C ATOM 113 CH2 TRP A 10 10.910 -13.915 -15.730 1.00 74.31 C ATOM 0 HA TRP A 10 7.846 -11.483 -9.755 1.00 61.15 H new ATOM 0 HB2 TRP A 10 9.279 -11.084 -11.648 1.00 12.13 H new ATOM 0 HB3 TRP A 10 10.304 -11.402 -10.262 1.00 12.13 H new ATOM 0 HD1 TRP A 10 11.068 -14.220 -10.130 1.00 30.12 H new ATOM 0 HE1 TRP A 10 11.989 -15.663 -12.070 1.00 32.23 H new ATOM 0 HE3 TRP A 10 9.330 -11.421 -14.037 1.00 3.50 H new ATOM 0 HZ2 TRP A 10 11.949 -15.579 -14.881 1.00 43.40 H new ATOM 0 HZ3 TRP A 10 9.817 -12.166 -16.332 1.00 54.12 H new ATOM 0 HH2 TRP A 10 11.107 -14.220 -16.747 1.00 74.31 H new ATOM 124 N ARG A 11 7.414 -14.425 -10.957 1.00 22.23 N ATOM 125 CA ARG A 11 6.552 -15.264 -11.780 1.00 72.11 C ATOM 126 C ARG A 11 5.093 -15.127 -11.354 1.00 31.30 C ATOM 127 O ARG A 11 4.187 -15.587 -12.049 1.00 61.31 O ATOM 128 CB ARG A 11 6.987 -16.728 -11.685 1.00 52.33 C ATOM 129 CG ARG A 11 8.442 -16.956 -12.059 1.00 3.20 C ATOM 130 CD ARG A 11 8.778 -18.438 -12.111 1.00 4.02 C ATOM 131 NE ARG A 11 8.908 -19.017 -10.776 1.00 45.33 N ATOM 132 CZ ARG A 11 9.551 -20.152 -10.527 1.00 71.42 C ATOM 133 NH1 ARG A 11 10.119 -20.827 -11.517 1.00 21.31 N ATOM 134 NH2 ARG A 11 9.626 -20.615 -9.286 1.00 2.12 N ATOM 0 H ARG A 11 7.992 -14.939 -10.292 1.00 22.23 H new ATOM 0 HA ARG A 11 6.644 -14.931 -12.814 1.00 72.11 H new ATOM 0 HB2 ARG A 11 6.822 -17.082 -10.667 1.00 52.33 H new ATOM 0 HB3 ARG A 11 6.354 -17.329 -12.338 1.00 52.33 H new ATOM 0 HG2 ARG A 11 8.645 -16.502 -13.029 1.00 3.20 H new ATOM 0 HG3 ARG A 11 9.087 -16.461 -11.333 1.00 3.20 H new ATOM 0 HD2 ARG A 11 8.000 -18.967 -12.661 1.00 4.02 H new ATOM 0 HD3 ARG A 11 9.709 -18.580 -12.660 1.00 4.02 H new ATOM 0 HE ARG A 11 8.482 -18.522 -9.992 1.00 45.33 H new ATOM 0 HH11 ARG A 11 10.063 -20.475 -12.473 1.00 21.31 H new ATOM 0 HH12 ARG A 11 10.612 -21.698 -11.323 1.00 21.31 H new ATOM 0 HH21 ARG A 11 9.190 -20.099 -8.522 1.00 2.12 H new ATOM 0 HH22 ARG A 11 10.120 -21.487 -9.096 1.00 2.12 H new ATOM 148 N SER A 12 4.874 -14.493 -10.207 1.00 12.51 N ATOM 149 CA SER A 12 3.526 -14.299 -9.686 1.00 12.02 C ATOM 150 C SER A 12 2.643 -13.595 -10.712 1.00 34.24 C ATOM 151 O SER A 12 3.066 -12.639 -11.362 1.00 50.00 O ATOM 152 CB SER A 12 3.569 -13.486 -8.390 1.00 72.42 C ATOM 153 OG SER A 12 2.361 -12.770 -8.197 1.00 23.41 O ATOM 0 H SER A 12 5.613 -14.105 -9.620 1.00 12.51 H new ATOM 0 HA SER A 12 3.099 -15.280 -9.477 1.00 12.02 H new ATOM 0 HB2 SER A 12 3.740 -14.152 -7.544 1.00 72.42 H new ATOM 0 HB3 SER A 12 4.407 -12.790 -8.421 1.00 72.42 H new ATOM 0 HG SER A 12 2.413 -12.260 -7.362 1.00 23.41 H new ATOM 159 N THR A 13 1.411 -14.076 -10.852 1.00 11.33 N ATOM 160 CA THR A 13 0.467 -13.495 -11.798 1.00 61.14 C ATOM 161 C THR A 13 0.353 -11.987 -11.606 1.00 71.22 C ATOM 162 O THR A 13 0.424 -11.222 -12.568 1.00 23.34 O ATOM 163 CB THR A 13 -0.931 -14.127 -11.657 1.00 3.51 C ATOM 164 OG1 THR A 13 -0.811 -15.530 -11.400 1.00 24.11 O ATOM 165 CG2 THR A 13 -1.755 -13.905 -12.917 1.00 25.25 C ATOM 0 H THR A 13 1.044 -14.867 -10.322 1.00 11.33 H new ATOM 0 HA THR A 13 0.852 -13.703 -12.796 1.00 61.14 H new ATOM 0 HB THR A 13 -1.439 -13.648 -10.821 1.00 3.51 H new ATOM 0 HG1 THR A 13 -1.704 -15.924 -11.310 1.00 24.11 H new ATOM 0 HG21 THR A 13 -2.738 -14.360 -12.794 1.00 25.25 H new ATOM 0 HG22 THR A 13 -1.870 -12.835 -13.093 1.00 25.25 H new ATOM 0 HG23 THR A 13 -1.248 -14.360 -13.768 1.00 25.25 H new ATOM 173 N ALA A 14 0.176 -11.566 -10.358 1.00 71.12 N ATOM 174 CA ALA A 14 0.055 -10.149 -10.040 1.00 53.21 C ATOM 175 C ALA A 14 1.233 -9.358 -10.598 1.00 25.33 C ATOM 176 O ALA A 14 1.064 -8.253 -11.113 1.00 64.24 O ATOM 177 CB ALA A 14 -0.050 -9.953 -8.535 1.00 10.11 C ATOM 0 H ALA A 14 0.113 -12.186 -9.551 1.00 71.12 H new ATOM 0 HA ALA A 14 -0.855 -9.773 -10.508 1.00 53.21 H new ATOM 0 HB1 ALA A 14 -0.140 -8.890 -8.312 1.00 10.11 H new ATOM 0 HB2 ALA A 14 -0.929 -10.478 -8.160 1.00 10.11 H new ATOM 0 HB3 ALA A 14 0.843 -10.351 -8.053 1.00 10.11 H new ATOM 183 N PHE A 15 2.428 -9.931 -10.490 1.00 52.02 N ATOM 184 CA PHE A 15 3.636 -9.279 -10.982 1.00 54.44 C ATOM 185 C PHE A 15 3.555 -9.051 -12.489 1.00 64.21 C ATOM 186 O PHE A 15 3.464 -7.914 -12.952 1.00 35.10 O ATOM 187 CB PHE A 15 4.868 -10.121 -10.647 1.00 43.32 C ATOM 188 CG PHE A 15 6.132 -9.316 -10.535 1.00 54.13 C ATOM 189 CD1 PHE A 15 6.678 -8.702 -11.651 1.00 5.14 C ATOM 190 CD2 PHE A 15 6.772 -9.173 -9.315 1.00 70.00 C ATOM 191 CE1 PHE A 15 7.841 -7.962 -11.550 1.00 42.44 C ATOM 192 CE2 PHE A 15 7.935 -8.434 -9.209 1.00 11.54 C ATOM 193 CZ PHE A 15 8.470 -7.826 -10.328 1.00 35.22 C ATOM 0 H PHE A 15 2.585 -10.845 -10.066 1.00 52.02 H new ATOM 0 HA PHE A 15 3.723 -8.310 -10.490 1.00 54.44 H new ATOM 0 HB2 PHE A 15 4.696 -10.645 -9.707 1.00 43.32 H new ATOM 0 HB3 PHE A 15 4.998 -10.882 -11.416 1.00 43.32 H new ATOM 0 HD1 PHE A 15 6.190 -8.803 -12.609 1.00 5.14 H new ATOM 0 HD2 PHE A 15 6.357 -9.645 -8.436 1.00 70.00 H new ATOM 0 HE1 PHE A 15 8.258 -7.490 -12.427 1.00 42.44 H new ATOM 0 HE2 PHE A 15 8.425 -8.332 -8.252 1.00 11.54 H new ATOM 0 HZ PHE A 15 9.377 -7.246 -10.248 1.00 35.22 H new ATOM 203 N ARG A 16 3.591 -10.141 -13.249 1.00 24.24 N ATOM 204 CA ARG A 16 3.525 -10.062 -14.703 1.00 12.51 C ATOM 205 C ARG A 16 2.294 -9.277 -15.149 1.00 30.54 C ATOM 206 O ARG A 16 2.358 -8.487 -16.090 1.00 32.23 O ATOM 207 CB ARG A 16 3.496 -11.465 -15.311 1.00 5.00 C ATOM 208 CG ARG A 16 3.720 -11.482 -16.814 1.00 44.02 C ATOM 209 CD ARG A 16 3.228 -12.779 -17.436 1.00 73.32 C ATOM 210 NE ARG A 16 1.917 -12.623 -18.062 1.00 64.20 N ATOM 211 CZ ARG A 16 1.165 -13.644 -18.457 1.00 64.42 C ATOM 212 NH1 ARG A 16 1.592 -14.889 -18.292 1.00 14.12 N ATOM 213 NH2 ARG A 16 -0.016 -13.422 -19.019 1.00 10.33 N ATOM 0 H ARG A 16 3.666 -11.090 -12.881 1.00 24.24 H new ATOM 0 HA ARG A 16 4.415 -9.540 -15.054 1.00 12.51 H new ATOM 0 HB2 ARG A 16 4.261 -12.076 -14.831 1.00 5.00 H new ATOM 0 HB3 ARG A 16 2.534 -11.928 -15.090 1.00 5.00 H new ATOM 0 HG2 ARG A 16 3.201 -10.639 -17.270 1.00 44.02 H new ATOM 0 HG3 ARG A 16 4.782 -11.355 -17.026 1.00 44.02 H new ATOM 0 HD2 ARG A 16 3.947 -13.120 -18.181 1.00 73.32 H new ATOM 0 HD3 ARG A 16 3.174 -13.551 -16.669 1.00 73.32 H new ATOM 0 HE ARG A 16 1.560 -11.678 -18.203 1.00 64.20 H new ATOM 0 HH11 ARG A 16 2.500 -15.064 -17.861 1.00 14.12 H new ATOM 0 HH12 ARG A 16 1.013 -15.671 -18.596 1.00 14.12 H new ATOM 0 HH21 ARG A 16 -0.348 -12.466 -19.148 1.00 10.33 H new ATOM 0 HH22 ARG A 16 -0.592 -14.207 -19.322 1.00 10.33 H new ATOM 227 N GLN A 17 1.176 -9.503 -14.466 1.00 71.02 N ATOM 228 CA GLN A 17 -0.069 -8.818 -14.793 1.00 73.52 C ATOM 229 C GLN A 17 0.117 -7.305 -14.762 1.00 62.14 C ATOM 230 O GLN A 17 -0.060 -6.626 -15.774 1.00 34.10 O ATOM 231 CB GLN A 17 -1.173 -9.228 -13.816 1.00 62.24 C ATOM 232 CG GLN A 17 -2.524 -8.605 -14.129 1.00 22.04 C ATOM 233 CD GLN A 17 -2.635 -7.176 -13.636 1.00 42.53 C ATOM 234 OE1 GLN A 17 -2.524 -6.909 -12.439 1.00 50.43 O ATOM 235 NE2 GLN A 17 -2.855 -6.247 -14.559 1.00 42.44 N ATOM 0 H GLN A 17 1.107 -10.154 -13.684 1.00 71.02 H new ATOM 0 HA GLN A 17 -0.360 -9.109 -15.802 1.00 73.52 H new ATOM 0 HB2 GLN A 17 -1.271 -10.313 -13.827 1.00 62.24 H new ATOM 0 HB3 GLN A 17 -0.877 -8.945 -12.806 1.00 62.24 H new ATOM 0 HG2 GLN A 17 -2.690 -8.628 -15.206 1.00 22.04 H new ATOM 0 HG3 GLN A 17 -3.311 -9.205 -13.673 1.00 22.04 H new ATOM 0 HE21 GLN A 17 -2.940 -6.513 -15.540 1.00 42.44 H new ATOM 0 HE22 GLN A 17 -2.939 -5.268 -14.287 1.00 42.44 H new ATOM 244 N LYS A 18 0.476 -6.782 -13.595 1.00 40.20 N ATOM 245 CA LYS A 18 0.688 -5.349 -13.431 1.00 51.52 C ATOM 246 C LYS A 18 1.634 -4.813 -14.501 1.00 53.52 C ATOM 247 O LYS A 18 1.349 -3.803 -15.147 1.00 12.02 O ATOM 248 CB LYS A 18 1.253 -5.051 -12.040 1.00 61.35 C ATOM 249 CG LYS A 18 0.192 -4.682 -11.019 1.00 13.22 C ATOM 250 CD LYS A 18 0.700 -4.858 -9.598 1.00 21.32 C ATOM 251 CE LYS A 18 -0.437 -5.152 -8.631 1.00 51.14 C ATOM 252 NZ LYS A 18 -1.084 -3.904 -8.141 1.00 11.35 N ATOM 0 H LYS A 18 0.626 -7.330 -12.748 1.00 40.20 H new ATOM 0 HA LYS A 18 -0.275 -4.850 -13.539 1.00 51.52 H new ATOM 0 HB2 LYS A 18 1.799 -5.925 -11.684 1.00 61.35 H new ATOM 0 HB3 LYS A 18 1.971 -4.235 -12.116 1.00 61.35 H new ATOM 0 HG2 LYS A 18 -0.116 -3.647 -11.171 1.00 13.22 H new ATOM 0 HG3 LYS A 18 -0.691 -5.303 -11.170 1.00 13.22 H new ATOM 0 HD2 LYS A 18 1.424 -5.672 -9.568 1.00 21.32 H new ATOM 0 HD3 LYS A 18 1.222 -3.955 -9.283 1.00 21.32 H new ATOM 0 HE2 LYS A 18 -1.181 -5.777 -9.124 1.00 51.14 H new ATOM 0 HE3 LYS A 18 -0.055 -5.720 -7.783 1.00 51.14 H new ATOM 0 HZ1 LYS A 18 -1.853 -4.146 -7.485 1.00 11.35 H new ATOM 0 HZ2 LYS A 18 -0.380 -3.319 -7.648 1.00 11.35 H new ATOM 0 HZ3 LYS A 18 -1.471 -3.374 -8.948 1.00 11.35 H new ATOM 266 N LEU A 19 2.759 -5.495 -14.685 1.00 53.41 N ATOM 267 CA LEU A 19 3.746 -5.088 -15.679 1.00 3.23 C ATOM 268 C LEU A 19 3.134 -5.059 -17.075 1.00 52.13 C ATOM 269 O LEU A 19 3.387 -4.142 -17.857 1.00 15.12 O ATOM 270 CB LEU A 19 4.945 -6.038 -15.654 1.00 74.34 C ATOM 271 CG LEU A 19 6.012 -5.746 -14.599 1.00 34.41 C ATOM 272 CD1 LEU A 19 7.153 -4.943 -15.202 1.00 24.00 C ATOM 273 CD2 LEU A 19 5.403 -5.007 -13.416 1.00 45.00 C ATOM 0 H LEU A 19 3.010 -6.332 -14.159 1.00 53.41 H new ATOM 0 HA LEU A 19 4.082 -4.082 -15.430 1.00 3.23 H new ATOM 0 HB2 LEU A 19 4.576 -7.052 -15.498 1.00 74.34 H new ATOM 0 HB3 LEU A 19 5.419 -6.019 -16.636 1.00 74.34 H new ATOM 0 HG LEU A 19 6.413 -6.695 -14.242 1.00 34.41 H new ATOM 0 HD11 LEU A 19 7.903 -4.745 -14.436 1.00 24.00 H new ATOM 0 HD12 LEU A 19 7.606 -5.509 -16.016 1.00 24.00 H new ATOM 0 HD13 LEU A 19 6.769 -3.998 -15.587 1.00 24.00 H new ATOM 0 HD21 LEU A 19 6.177 -4.807 -12.675 1.00 45.00 H new ATOM 0 HD22 LEU A 19 4.975 -4.064 -13.757 1.00 45.00 H new ATOM 0 HD23 LEU A 19 4.621 -5.620 -12.968 1.00 45.00 H new ATOM 285 N VAL A 20 2.325 -6.068 -17.382 1.00 61.42 N ATOM 286 CA VAL A 20 1.673 -6.157 -18.683 1.00 62.34 C ATOM 287 C VAL A 20 0.816 -4.926 -18.954 1.00 1.11 C ATOM 288 O VAL A 20 0.865 -4.349 -20.040 1.00 72.54 O ATOM 289 CB VAL A 20 0.791 -7.416 -18.784 1.00 51.32 C ATOM 290 CG1 VAL A 20 -0.242 -7.257 -19.889 1.00 52.52 C ATOM 291 CG2 VAL A 20 1.649 -8.650 -19.019 1.00 13.12 C ATOM 0 H VAL A 20 2.105 -6.836 -16.747 1.00 61.42 H new ATOM 0 HA VAL A 20 2.465 -6.216 -19.430 1.00 62.34 H new ATOM 0 HB VAL A 20 0.261 -7.544 -17.840 1.00 51.32 H new ATOM 0 HG11 VAL A 20 -0.856 -8.156 -19.945 1.00 52.52 H new ATOM 0 HG12 VAL A 20 -0.877 -6.397 -19.673 1.00 52.52 H new ATOM 0 HG13 VAL A 20 0.265 -7.103 -20.842 1.00 52.52 H new ATOM 0 HG21 VAL A 20 1.010 -9.530 -19.088 1.00 13.12 H new ATOM 0 HG22 VAL A 20 2.207 -8.534 -19.948 1.00 13.12 H new ATOM 0 HG23 VAL A 20 2.346 -8.772 -18.190 1.00 13.12 H new ATOM 301 N SER A 21 0.031 -4.527 -17.958 1.00 23.42 N ATOM 302 CA SER A 21 -0.840 -3.366 -18.089 1.00 50.40 C ATOM 303 C SER A 21 -0.030 -2.112 -18.408 1.00 32.45 C ATOM 304 O SER A 21 -0.418 -1.310 -19.256 1.00 42.12 O ATOM 305 CB SER A 21 -1.642 -3.155 -16.803 1.00 60.33 C ATOM 306 OG SER A 21 -3.024 -3.008 -17.082 1.00 65.52 O ATOM 0 H SER A 21 -0.019 -4.991 -17.051 1.00 23.42 H new ATOM 0 HA SER A 21 -1.530 -3.552 -18.912 1.00 50.40 H new ATOM 0 HB2 SER A 21 -1.491 -4.002 -16.133 1.00 60.33 H new ATOM 0 HB3 SER A 21 -1.276 -2.269 -16.284 1.00 60.33 H new ATOM 0 HG SER A 21 -3.515 -2.876 -16.244 1.00 65.52 H new ATOM 312 N GLN A 22 1.096 -1.953 -17.720 1.00 41.21 N ATOM 313 CA GLN A 22 1.961 -0.797 -17.929 1.00 35.32 C ATOM 314 C GLN A 22 2.381 -0.689 -19.391 1.00 20.02 C ATOM 315 O GLN A 22 2.193 0.349 -20.025 1.00 53.34 O ATOM 316 CB GLN A 22 3.199 -0.892 -17.035 1.00 74.14 C ATOM 317 CG GLN A 22 2.880 -0.864 -15.549 1.00 50.23 C ATOM 318 CD GLN A 22 1.852 0.192 -15.193 1.00 21.13 C ATOM 319 OE1 GLN A 22 2.175 1.374 -15.073 1.00 41.15 O ATOM 320 NE2 GLN A 22 0.605 -0.230 -15.021 1.00 31.25 N ATOM 0 H GLN A 22 1.431 -2.609 -17.014 1.00 41.21 H new ATOM 0 HA GLN A 22 1.399 0.099 -17.665 1.00 35.32 H new ATOM 0 HB2 GLN A 22 3.734 -1.813 -17.266 1.00 74.14 H new ATOM 0 HB3 GLN A 22 3.871 -0.066 -17.270 1.00 74.14 H new ATOM 0 HG2 GLN A 22 2.511 -1.843 -15.242 1.00 50.23 H new ATOM 0 HG3 GLN A 22 3.796 -0.678 -14.988 1.00 50.23 H new ATOM 0 HE21 GLN A 22 0.382 -1.219 -15.130 1.00 31.25 H new ATOM 0 HE22 GLN A 22 -0.130 0.435 -14.780 1.00 31.25 H new ATOM 329 N ILE A 23 2.951 -1.767 -19.919 1.00 2.14 N ATOM 330 CA ILE A 23 3.397 -1.792 -21.306 1.00 25.50 C ATOM 331 C ILE A 23 2.248 -1.482 -22.259 1.00 3.20 C ATOM 332 O ILE A 23 2.439 -0.828 -23.284 1.00 11.13 O ATOM 333 CB ILE A 23 4.003 -3.159 -21.678 1.00 35.14 C ATOM 334 CG1 ILE A 23 5.314 -3.383 -20.922 1.00 61.12 C ATOM 335 CG2 ILE A 23 4.228 -3.248 -23.180 1.00 3.35 C ATOM 336 CD1 ILE A 23 5.897 -4.765 -21.120 1.00 42.33 C ATOM 0 H ILE A 23 3.115 -2.634 -19.407 1.00 2.14 H new ATOM 0 HA ILE A 23 4.164 -1.024 -21.404 1.00 25.50 H new ATOM 0 HB ILE A 23 3.301 -3.942 -21.389 1.00 35.14 H new ATOM 0 HG12 ILE A 23 6.043 -2.640 -21.247 1.00 61.12 H new ATOM 0 HG13 ILE A 23 5.143 -3.218 -19.858 1.00 61.12 H new ATOM 0 HG21 ILE A 23 4.656 -4.219 -23.427 1.00 3.35 H new ATOM 0 HG22 ILE A 23 3.276 -3.129 -23.698 1.00 3.35 H new ATOM 0 HG23 ILE A 23 4.913 -2.460 -23.493 1.00 3.35 H new ATOM 0 HD11 ILE A 23 6.825 -4.853 -20.555 1.00 42.33 H new ATOM 0 HD12 ILE A 23 5.187 -5.513 -20.769 1.00 42.33 H new ATOM 0 HD13 ILE A 23 6.100 -4.926 -22.179 1.00 42.33 H new ATOM 348 N GLU A 24 1.055 -1.954 -21.912 1.00 70.23 N ATOM 349 CA GLU A 24 -0.125 -1.725 -22.737 1.00 75.42 C ATOM 350 C GLU A 24 -0.550 -0.261 -22.685 1.00 40.43 C ATOM 351 O GLU A 24 -1.013 0.298 -23.680 1.00 14.13 O ATOM 352 CB GLU A 24 -1.279 -2.619 -22.275 1.00 43.32 C ATOM 353 CG GLU A 24 -2.058 -3.247 -23.419 1.00 0.44 C ATOM 354 CD GLU A 24 -3.523 -2.857 -23.409 1.00 34.11 C ATOM 355 OE1 GLU A 24 -4.247 -3.296 -22.491 1.00 32.24 O ATOM 356 OE2 GLU A 24 -3.947 -2.114 -24.319 1.00 25.21 O ATOM 0 H GLU A 24 0.880 -2.497 -21.066 1.00 70.23 H new ATOM 0 HA GLU A 24 0.130 -1.975 -23.767 1.00 75.42 H new ATOM 0 HB2 GLU A 24 -0.882 -3.410 -21.639 1.00 43.32 H new ATOM 0 HB3 GLU A 24 -1.961 -2.030 -21.662 1.00 43.32 H new ATOM 0 HG2 GLU A 24 -1.612 -2.945 -24.367 1.00 0.44 H new ATOM 0 HG3 GLU A 24 -1.974 -4.332 -23.358 1.00 0.44 H new ATOM 363 N ASP A 25 -0.389 0.355 -21.519 1.00 62.21 N ATOM 364 CA ASP A 25 -0.754 1.755 -21.336 1.00 74.43 C ATOM 365 C ASP A 25 0.175 2.667 -22.130 1.00 40.24 C ATOM 366 O ASP A 25 -0.278 3.504 -22.910 1.00 54.41 O ATOM 367 CB ASP A 25 -0.709 2.126 -19.853 1.00 54.23 C ATOM 368 CG ASP A 25 -1.419 3.434 -19.562 1.00 45.24 C ATOM 369 OD1 ASP A 25 -0.921 4.491 -20.006 1.00 73.42 O ATOM 370 OD2 ASP A 25 -2.471 3.401 -18.892 1.00 12.54 O ATOM 0 H ASP A 25 -0.008 -0.093 -20.686 1.00 62.21 H new ATOM 0 HA ASP A 25 -1.770 1.891 -21.706 1.00 74.43 H new ATOM 0 HB2 ASP A 25 -1.168 1.329 -19.268 1.00 54.23 H new ATOM 0 HB3 ASP A 25 0.330 2.200 -19.531 1.00 54.23 H new ATOM 375 N ALA A 26 1.477 2.500 -21.926 1.00 24.34 N ATOM 376 CA ALA A 26 2.470 3.307 -22.623 1.00 4.41 C ATOM 377 C ALA A 26 2.311 3.188 -24.135 1.00 4.32 C ATOM 378 O ALA A 26 2.415 4.178 -24.859 1.00 21.11 O ATOM 379 CB ALA A 26 3.874 2.896 -22.204 1.00 20.11 C ATOM 0 H ALA A 26 1.869 1.812 -21.283 1.00 24.34 H new ATOM 0 HA ALA A 26 2.312 4.350 -22.348 1.00 4.41 H new ATOM 0 HB1 ALA A 26 4.605 3.507 -22.733 1.00 20.11 H new ATOM 0 HB2 ALA A 26 3.990 3.040 -21.130 1.00 20.11 H new ATOM 0 HB3 ALA A 26 4.034 1.846 -22.449 1.00 20.11 H new ATOM 385 N MET A 27 2.060 1.971 -24.605 1.00 32.14 N ATOM 386 CA MET A 27 1.886 1.724 -26.031 1.00 61.53 C ATOM 387 C MET A 27 0.687 2.494 -26.575 1.00 1.24 C ATOM 388 O MET A 27 0.755 3.087 -27.652 1.00 33.24 O ATOM 389 CB MET A 27 1.706 0.227 -26.293 1.00 64.01 C ATOM 390 CG MET A 27 2.862 -0.400 -27.056 1.00 4.32 C ATOM 391 SD MET A 27 2.336 -1.749 -28.129 1.00 72.24 S ATOM 392 CE MET A 27 1.226 -0.886 -29.239 1.00 14.14 C ATOM 0 H MET A 27 1.973 1.141 -24.019 1.00 32.14 H new ATOM 0 HA MET A 27 2.782 2.071 -26.546 1.00 61.53 H new ATOM 0 HB2 MET A 27 1.588 -0.289 -25.340 1.00 64.01 H new ATOM 0 HB3 MET A 27 0.785 0.073 -26.855 1.00 64.01 H new ATOM 0 HG2 MET A 27 3.354 0.366 -27.656 1.00 4.32 H new ATOM 0 HG3 MET A 27 3.601 -0.772 -26.347 1.00 4.32 H new ATOM 0 HE1 MET A 27 1.248 -1.362 -30.219 1.00 14.14 H new ATOM 0 HE2 MET A 27 0.212 -0.923 -28.841 1.00 14.14 H new ATOM 0 HE3 MET A 27 1.541 0.153 -29.333 1.00 14.14 H new ATOM 402 N ARG A 28 -0.409 2.481 -25.823 1.00 41.50 N ATOM 403 CA ARG A 28 -1.623 3.178 -26.231 1.00 0.13 C ATOM 404 C ARG A 28 -1.338 4.652 -26.506 1.00 61.41 C ATOM 405 O ARG A 28 -1.644 5.164 -27.583 1.00 64.32 O ATOM 406 CB ARG A 28 -2.698 3.049 -25.150 1.00 21.11 C ATOM 407 CG ARG A 28 -3.878 3.986 -25.350 1.00 20.25 C ATOM 408 CD ARG A 28 -5.202 3.262 -25.162 1.00 70.33 C ATOM 409 NE ARG A 28 -6.334 4.184 -25.158 1.00 74.12 N ATOM 410 CZ ARG A 28 -7.602 3.791 -25.112 1.00 74.43 C ATOM 411 NH1 ARG A 28 -7.898 2.499 -25.066 1.00 60.15 N ATOM 412 NH2 ARG A 28 -8.578 4.690 -25.112 1.00 2.22 N ATOM 0 H ARG A 28 -0.481 1.996 -24.929 1.00 41.50 H new ATOM 0 HA ARG A 28 -1.984 2.718 -27.151 1.00 0.13 H new ATOM 0 HB2 ARG A 28 -3.060 2.021 -25.131 1.00 21.11 H new ATOM 0 HB3 ARG A 28 -2.248 3.247 -24.177 1.00 21.11 H new ATOM 0 HG2 ARG A 28 -3.811 4.813 -24.644 1.00 20.25 H new ATOM 0 HG3 ARG A 28 -3.836 4.417 -26.350 1.00 20.25 H new ATOM 0 HD2 ARG A 28 -5.332 2.532 -25.960 1.00 70.33 H new ATOM 0 HD3 ARG A 28 -5.182 2.708 -24.223 1.00 70.33 H new ATOM 0 HE ARG A 28 -6.141 5.185 -25.192 1.00 74.12 H new ATOM 0 HH11 ARG A 28 -7.151 1.804 -25.066 1.00 60.15 H new ATOM 0 HH12 ARG A 28 -8.873 2.200 -25.031 1.00 60.15 H new ATOM 0 HH21 ARG A 28 -8.355 5.685 -25.147 1.00 2.22 H new ATOM 0 HH22 ARG A 28 -9.551 4.386 -25.077 1.00 2.22 H new ATOM 426 N LYS A 29 -0.751 5.329 -25.525 1.00 62.42 N ATOM 427 CA LYS A 29 -0.423 6.743 -25.660 1.00 72.05 C ATOM 428 C LYS A 29 0.746 6.941 -26.620 1.00 53.32 C ATOM 429 O LYS A 29 0.912 8.016 -27.197 1.00 72.40 O ATOM 430 CB LYS A 29 -0.082 7.342 -24.294 1.00 30.40 C ATOM 431 CG LYS A 29 -0.839 8.621 -23.984 1.00 51.44 C ATOM 432 CD LYS A 29 -0.344 9.266 -22.700 1.00 62.45 C ATOM 433 CE LYS A 29 1.048 9.854 -22.873 1.00 50.41 C ATOM 434 NZ LYS A 29 2.068 9.106 -22.088 1.00 62.31 N ATOM 0 H LYS A 29 -0.492 4.921 -24.627 1.00 62.42 H new ATOM 0 HA LYS A 29 -1.295 7.255 -26.066 1.00 72.05 H new ATOM 0 HB2 LYS A 29 -0.298 6.606 -23.520 1.00 30.40 H new ATOM 0 HB3 LYS A 29 0.988 7.544 -24.252 1.00 30.40 H new ATOM 0 HG2 LYS A 29 -0.725 9.322 -24.811 1.00 51.44 H new ATOM 0 HG3 LYS A 29 -1.903 8.402 -23.895 1.00 51.44 H new ATOM 0 HD2 LYS A 29 -1.036 10.051 -22.395 1.00 62.45 H new ATOM 0 HD3 LYS A 29 -0.330 8.525 -21.901 1.00 62.45 H new ATOM 0 HE2 LYS A 29 1.320 9.839 -23.928 1.00 50.41 H new ATOM 0 HE3 LYS A 29 1.043 10.898 -22.560 1.00 50.41 H new ATOM 0 HZ1 LYS A 29 3.003 9.538 -22.233 1.00 62.31 H new ATOM 0 HZ2 LYS A 29 1.823 9.141 -21.078 1.00 62.31 H new ATOM 0 HZ3 LYS A 29 2.092 8.115 -22.404 1.00 62.31 H new ATOM 448 N ALA A 30 1.552 5.898 -26.787 1.00 51.13 N ATOM 449 CA ALA A 30 2.703 5.957 -27.680 1.00 13.21 C ATOM 450 C ALA A 30 2.267 5.924 -29.141 1.00 34.52 C ATOM 451 O ALA A 30 2.975 6.410 -30.021 1.00 73.24 O ATOM 452 CB ALA A 30 3.658 4.810 -27.386 1.00 2.33 C ATOM 0 H ALA A 30 1.429 5.002 -26.316 1.00 51.13 H new ATOM 0 HA ALA A 30 3.220 6.900 -27.504 1.00 13.21 H new ATOM 0 HB1 ALA A 30 4.513 4.866 -28.060 1.00 2.33 H new ATOM 0 HB2 ALA A 30 4.004 4.880 -26.355 1.00 2.33 H new ATOM 0 HB3 ALA A 30 3.143 3.861 -27.532 1.00 2.33 H new ATOM 458 N GLY A 31 1.096 5.345 -29.391 1.00 71.01 N ATOM 459 CA GLY A 31 0.586 5.258 -30.747 1.00 64.02 C ATOM 460 C GLY A 31 1.594 4.659 -31.708 1.00 23.01 C ATOM 461 O GLY A 31 2.263 5.381 -32.447 1.00 45.01 O ATOM 0 H GLY A 31 0.492 4.935 -28.679 1.00 71.01 H new ATOM 0 HA2 GLY A 31 -0.321 4.653 -30.753 1.00 64.02 H new ATOM 0 HA3 GLY A 31 0.307 6.254 -31.092 1.00 64.02 H new ATOM 563 N LYS A 39 0.108 -8.270 -24.697 1.00 54.02 N ATOM 564 CA LYS A 39 0.099 -9.603 -24.107 1.00 64.32 C ATOM 565 C LYS A 39 1.162 -10.489 -24.749 1.00 44.04 C ATOM 566 O LYS A 39 1.831 -11.266 -24.068 1.00 2.24 O ATOM 567 CB LYS A 39 -1.280 -10.246 -24.268 1.00 31.02 C ATOM 568 CG LYS A 39 -1.548 -11.366 -23.278 1.00 33.14 C ATOM 569 CD LYS A 39 -3.037 -11.560 -23.044 1.00 52.34 C ATOM 570 CE LYS A 39 -3.355 -11.707 -21.564 1.00 51.33 C ATOM 571 NZ LYS A 39 -2.746 -12.936 -20.986 1.00 31.44 N ATOM 0 HA LYS A 39 0.325 -9.504 -23.045 1.00 64.32 H new ATOM 0 HB2 LYS A 39 -2.045 -9.479 -24.152 1.00 31.02 H new ATOM 0 HB3 LYS A 39 -1.373 -10.638 -25.281 1.00 31.02 H new ATOM 0 HG2 LYS A 39 -1.114 -12.294 -23.651 1.00 33.14 H new ATOM 0 HG3 LYS A 39 -1.056 -11.141 -22.331 1.00 33.14 H new ATOM 0 HD2 LYS A 39 -3.584 -10.710 -23.452 1.00 52.34 H new ATOM 0 HD3 LYS A 39 -3.378 -12.446 -23.580 1.00 52.34 H new ATOM 0 HE2 LYS A 39 -2.990 -10.833 -21.025 1.00 51.33 H new ATOM 0 HE3 LYS A 39 -4.436 -11.738 -21.426 1.00 51.33 H new ATOM 0 HZ1 LYS A 39 -2.986 -13.000 -19.976 1.00 31.44 H new ATOM 0 HZ2 LYS A 39 -3.114 -13.772 -21.483 1.00 31.44 H new ATOM 0 HZ3 LYS A 39 -1.712 -12.895 -21.095 1.00 31.44 H new ATOM 585 N ASP A 40 1.314 -10.366 -26.063 1.00 55.34 N ATOM 586 CA ASP A 40 2.297 -11.153 -26.797 1.00 64.31 C ATOM 587 C ASP A 40 3.707 -10.620 -26.559 1.00 71.51 C ATOM 588 O ASP A 40 4.678 -11.376 -26.577 1.00 72.35 O ATOM 589 CB ASP A 40 1.980 -11.140 -28.293 1.00 73.21 C ATOM 590 CG ASP A 40 1.310 -12.420 -28.754 1.00 10.10 C ATOM 591 OD1 ASP A 40 0.078 -12.538 -28.586 1.00 64.12 O ATOM 592 OD2 ASP A 40 2.018 -13.304 -29.282 1.00 14.44 O ATOM 0 H ASP A 40 0.768 -9.728 -26.642 1.00 55.34 H new ATOM 0 HA ASP A 40 2.249 -12.179 -26.433 1.00 64.31 H new ATOM 0 HB2 ASP A 40 1.331 -10.293 -28.517 1.00 73.21 H new ATOM 0 HB3 ASP A 40 2.902 -10.993 -28.856 1.00 73.21 H new ATOM 597 N MET A 41 3.811 -9.314 -26.337 1.00 35.30 N ATOM 598 CA MET A 41 5.102 -8.681 -26.095 1.00 54.34 C ATOM 599 C MET A 41 5.640 -9.052 -24.718 1.00 23.55 C ATOM 600 O MET A 41 6.748 -9.574 -24.595 1.00 1.21 O ATOM 601 CB MET A 41 4.978 -7.160 -26.214 1.00 70.54 C ATOM 602 CG MET A 41 5.400 -6.621 -27.571 1.00 42.32 C ATOM 603 SD MET A 41 4.002 -6.059 -28.561 1.00 52.11 S ATOM 604 CE MET A 41 4.692 -4.591 -29.321 1.00 25.25 C ATOM 0 H MET A 41 3.017 -8.674 -26.320 1.00 35.30 H new ATOM 0 HA MET A 41 5.802 -9.042 -26.848 1.00 54.34 H new ATOM 0 HB2 MET A 41 3.944 -6.872 -26.023 1.00 70.54 H new ATOM 0 HB3 MET A 41 5.587 -6.692 -25.441 1.00 70.54 H new ATOM 0 HG2 MET A 41 6.095 -5.794 -27.429 1.00 42.32 H new ATOM 0 HG3 MET A 41 5.937 -7.398 -28.115 1.00 42.32 H new ATOM 0 HE1 MET A 41 3.944 -4.129 -29.966 1.00 25.25 H new ATOM 0 HE2 MET A 41 4.988 -3.885 -28.545 1.00 25.25 H new ATOM 0 HE3 MET A 41 5.564 -4.864 -29.915 1.00 25.25 H new ATOM 614 N GLU A 42 4.849 -8.780 -23.684 1.00 61.34 N ATOM 615 CA GLU A 42 5.249 -9.086 -22.316 1.00 12.12 C ATOM 616 C GLU A 42 5.495 -10.582 -22.142 1.00 10.20 C ATOM 617 O GLU A 42 6.477 -10.992 -21.524 1.00 30.53 O ATOM 618 CB GLU A 42 4.176 -8.617 -21.331 1.00 1.42 C ATOM 619 CG GLU A 42 3.794 -7.155 -21.497 1.00 61.45 C ATOM 620 CD GLU A 42 2.324 -6.970 -21.818 1.00 13.31 C ATOM 621 OE1 GLU A 42 1.612 -7.987 -21.954 1.00 45.12 O ATOM 622 OE2 GLU A 42 1.884 -5.806 -21.932 1.00 64.12 O ATOM 0 H GLU A 42 3.928 -8.349 -23.768 1.00 61.34 H new ATOM 0 HA GLU A 42 6.179 -8.556 -22.110 1.00 12.12 H new ATOM 0 HB2 GLU A 42 3.286 -9.233 -21.456 1.00 1.42 H new ATOM 0 HB3 GLU A 42 4.534 -8.777 -20.314 1.00 1.42 H new ATOM 0 HG2 GLU A 42 4.033 -6.614 -20.581 1.00 61.45 H new ATOM 0 HG3 GLU A 42 4.394 -6.714 -22.293 1.00 61.45 H new ATOM 629 N SER A 43 4.595 -11.391 -22.692 1.00 24.43 N ATOM 630 CA SER A 43 4.712 -12.842 -22.594 1.00 54.32 C ATOM 631 C SER A 43 6.028 -13.323 -23.197 1.00 52.03 C ATOM 632 O SER A 43 6.737 -14.135 -22.602 1.00 34.30 O ATOM 633 CB SER A 43 3.536 -13.517 -23.302 1.00 72.44 C ATOM 634 OG SER A 43 2.368 -13.480 -22.501 1.00 30.34 O ATOM 0 H SER A 43 3.778 -11.067 -23.209 1.00 24.43 H new ATOM 0 HA SER A 43 4.696 -13.113 -21.538 1.00 54.32 H new ATOM 0 HB2 SER A 43 3.345 -13.018 -24.252 1.00 72.44 H new ATOM 0 HB3 SER A 43 3.791 -14.552 -23.531 1.00 72.44 H new ATOM 0 HG SER A 43 1.818 -12.711 -22.759 1.00 30.34 H new ATOM 640 N HIS A 44 6.349 -12.816 -24.383 1.00 54.33 N ATOM 641 CA HIS A 44 7.580 -13.193 -25.068 1.00 50.43 C ATOM 642 C HIS A 44 8.800 -12.859 -24.215 1.00 61.40 C ATOM 643 O HIS A 44 9.734 -13.655 -24.112 1.00 2.33 O ATOM 644 CB HIS A 44 7.677 -12.480 -26.418 1.00 13.25 C ATOM 645 CG HIS A 44 8.857 -12.904 -27.236 1.00 21.12 C ATOM 646 ND1 HIS A 44 10.078 -12.265 -27.184 1.00 53.41 N ATOM 647 CD2 HIS A 44 8.999 -13.912 -28.128 1.00 45.45 C ATOM 648 CE1 HIS A 44 10.919 -12.859 -28.011 1.00 22.32 C ATOM 649 NE2 HIS A 44 10.290 -13.862 -28.596 1.00 33.21 N ATOM 0 H HIS A 44 5.774 -12.143 -24.890 1.00 54.33 H new ATOM 0 HA HIS A 44 7.558 -14.270 -25.235 1.00 50.43 H new ATOM 0 HB2 HIS A 44 6.766 -12.668 -26.985 1.00 13.25 H new ATOM 0 HB3 HIS A 44 7.730 -11.405 -26.249 1.00 13.25 H new ATOM 0 HD2 HIS A 44 8.239 -14.623 -28.418 1.00 45.45 H new ATOM 0 HE1 HIS A 44 11.947 -12.573 -28.180 1.00 22.32 H new ATOM 0 HE2 HIS A 44 10.696 -14.496 -29.284 1.00 33.21 H new ATOM 657 N VAL A 45 8.786 -11.678 -23.606 1.00 35.13 N ATOM 658 CA VAL A 45 9.890 -11.240 -22.761 1.00 43.33 C ATOM 659 C VAL A 45 10.036 -12.137 -21.537 1.00 53.51 C ATOM 660 O VAL A 45 11.148 -12.440 -21.105 1.00 11.43 O ATOM 661 CB VAL A 45 9.699 -9.784 -22.297 1.00 53.54 C ATOM 662 CG1 VAL A 45 10.947 -9.280 -21.589 1.00 31.02 C ATOM 663 CG2 VAL A 45 9.349 -8.890 -23.478 1.00 60.31 C ATOM 0 H VAL A 45 8.022 -11.007 -23.682 1.00 35.13 H new ATOM 0 HA VAL A 45 10.795 -11.305 -23.365 1.00 43.33 H new ATOM 0 HB VAL A 45 8.871 -9.753 -21.589 1.00 53.54 H new ATOM 0 HG11 VAL A 45 10.793 -8.250 -21.269 1.00 31.02 H new ATOM 0 HG12 VAL A 45 11.149 -9.904 -20.719 1.00 31.02 H new ATOM 0 HG13 VAL A 45 11.796 -9.324 -22.272 1.00 31.02 H new ATOM 0 HG21 VAL A 45 9.218 -7.865 -23.132 1.00 60.31 H new ATOM 0 HG22 VAL A 45 10.154 -8.925 -24.212 1.00 60.31 H new ATOM 0 HG23 VAL A 45 8.424 -9.239 -23.937 1.00 60.31 H new ATOM 673 N PHE A 46 8.904 -12.559 -20.982 1.00 65.03 N ATOM 674 CA PHE A 46 8.905 -13.422 -19.807 1.00 2.35 C ATOM 675 C PHE A 46 9.447 -14.807 -20.149 1.00 15.35 C ATOM 676 O PHE A 46 10.002 -15.497 -19.293 1.00 65.33 O ATOM 677 CB PHE A 46 7.491 -13.541 -19.235 1.00 20.43 C ATOM 678 CG PHE A 46 7.444 -14.195 -17.883 1.00 62.44 C ATOM 679 CD1 PHE A 46 7.542 -15.572 -17.762 1.00 22.04 C ATOM 680 CD2 PHE A 46 7.302 -13.433 -16.735 1.00 34.41 C ATOM 681 CE1 PHE A 46 7.500 -16.177 -16.520 1.00 32.15 C ATOM 682 CE2 PHE A 46 7.259 -14.033 -15.490 1.00 41.23 C ATOM 683 CZ PHE A 46 7.357 -15.406 -15.383 1.00 20.35 C ATOM 0 H PHE A 46 7.975 -12.317 -21.327 1.00 65.03 H new ATOM 0 HA PHE A 46 9.556 -12.973 -19.057 1.00 2.35 H new ATOM 0 HB2 PHE A 46 7.052 -12.546 -19.164 1.00 20.43 H new ATOM 0 HB3 PHE A 46 6.874 -14.113 -19.928 1.00 20.43 H new ATOM 0 HD1 PHE A 46 7.652 -16.179 -18.648 1.00 22.04 H new ATOM 0 HD2 PHE A 46 7.224 -12.359 -16.813 1.00 34.41 H new ATOM 0 HE1 PHE A 46 7.579 -17.251 -16.439 1.00 32.15 H new ATOM 0 HE2 PHE A 46 7.149 -13.428 -14.602 1.00 41.23 H new ATOM 0 HZ PHE A 46 7.322 -15.877 -14.412 1.00 20.35 H new ATOM 693 N LEU A 47 9.280 -15.207 -21.404 1.00 54.12 N ATOM 694 CA LEU A 47 9.751 -16.510 -21.861 1.00 14.11 C ATOM 695 C LEU A 47 11.190 -16.425 -22.358 1.00 23.14 C ATOM 696 O LEU A 47 11.876 -17.440 -22.482 1.00 44.25 O ATOM 697 CB LEU A 47 8.845 -17.040 -22.974 1.00 43.34 C ATOM 698 CG LEU A 47 7.654 -17.887 -22.525 1.00 42.21 C ATOM 699 CD1 LEU A 47 6.546 -17.844 -23.566 1.00 20.03 C ATOM 700 CD2 LEU A 47 8.088 -19.322 -22.264 1.00 45.23 C ATOM 0 H LEU A 47 8.822 -14.648 -22.124 1.00 54.12 H new ATOM 0 HA LEU A 47 9.718 -17.198 -21.016 1.00 14.11 H new ATOM 0 HB2 LEU A 47 8.467 -16.190 -23.543 1.00 43.34 H new ATOM 0 HB3 LEU A 47 9.452 -17.635 -23.656 1.00 43.34 H new ATOM 0 HG LEU A 47 7.267 -17.471 -21.595 1.00 42.21 H new ATOM 0 HD11 LEU A 47 5.707 -18.452 -23.229 1.00 20.03 H new ATOM 0 HD12 LEU A 47 6.216 -16.814 -23.703 1.00 20.03 H new ATOM 0 HD13 LEU A 47 6.921 -18.234 -24.512 1.00 20.03 H new ATOM 0 HD21 LEU A 47 7.227 -19.910 -21.945 1.00 45.23 H new ATOM 0 HD22 LEU A 47 8.501 -19.749 -23.178 1.00 45.23 H new ATOM 0 HD23 LEU A 47 8.847 -19.336 -21.482 1.00 45.23 H new ATOM 712 N LYS A 48 11.643 -15.208 -22.638 1.00 3.23 N ATOM 713 CA LYS A 48 13.003 -14.988 -23.117 1.00 74.43 C ATOM 714 C LYS A 48 13.909 -14.513 -21.986 1.00 33.30 C ATOM 715 O LYS A 48 15.133 -14.531 -22.110 1.00 11.41 O ATOM 716 CB LYS A 48 13.005 -13.962 -24.252 1.00 45.05 C ATOM 717 CG LYS A 48 13.065 -12.523 -23.771 1.00 10.31 C ATOM 718 CD LYS A 48 14.464 -11.946 -23.910 1.00 13.51 C ATOM 719 CE LYS A 48 14.868 -11.809 -25.370 1.00 15.51 C ATOM 720 NZ LYS A 48 15.521 -10.499 -25.644 1.00 25.00 N ATOM 0 H LYS A 48 11.088 -14.358 -22.541 1.00 3.23 H new ATOM 0 HA LYS A 48 13.388 -15.937 -23.492 1.00 74.43 H new ATOM 0 HB2 LYS A 48 13.858 -14.154 -24.903 1.00 45.05 H new ATOM 0 HB3 LYS A 48 12.107 -14.098 -24.855 1.00 45.05 H new ATOM 0 HG2 LYS A 48 12.362 -11.918 -24.343 1.00 10.31 H new ATOM 0 HG3 LYS A 48 12.752 -12.474 -22.728 1.00 10.31 H new ATOM 0 HD2 LYS A 48 14.506 -10.970 -23.427 1.00 13.51 H new ATOM 0 HD3 LYS A 48 15.177 -12.588 -23.393 1.00 13.51 H new ATOM 0 HE2 LYS A 48 15.550 -12.617 -25.636 1.00 15.51 H new ATOM 0 HE3 LYS A 48 13.986 -11.915 -26.002 1.00 15.51 H new ATOM 0 HZ1 LYS A 48 15.781 -10.444 -26.649 1.00 25.00 H new ATOM 0 HZ2 LYS A 48 14.862 -9.728 -25.415 1.00 25.00 H new ATOM 0 HZ3 LYS A 48 16.376 -10.409 -25.060 1.00 25.00 H new ATOM 734 N ALA A 49 13.299 -14.091 -20.883 1.00 71.02 N ATOM 735 CA ALA A 49 14.051 -13.615 -19.729 1.00 0.00 C ATOM 736 C ALA A 49 14.580 -14.780 -18.900 1.00 33.34 C ATOM 737 O ALA A 49 14.045 -15.888 -18.954 1.00 62.14 O ATOM 738 CB ALA A 49 13.183 -12.706 -18.872 1.00 10.41 C ATOM 0 H ALA A 49 12.286 -14.069 -20.765 1.00 71.02 H new ATOM 0 HA ALA A 49 14.906 -13.045 -20.093 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.757 -12.358 -18.014 1.00 10.41 H new ATOM 0 HB2 ALA A 49 12.859 -11.850 -19.463 1.00 10.41 H new ATOM 0 HB3 ALA A 49 12.310 -13.258 -18.524 1.00 10.41 H new ATOM 744 N LYS A 50 15.633 -14.524 -18.132 1.00 3.13 N ATOM 745 CA LYS A 50 16.235 -15.551 -17.290 1.00 1.14 C ATOM 746 C LYS A 50 15.893 -15.320 -15.821 1.00 42.42 C ATOM 747 O LYS A 50 15.839 -16.261 -15.029 1.00 64.33 O ATOM 748 CB LYS A 50 17.754 -15.566 -17.474 1.00 41.54 C ATOM 749 CG LYS A 50 18.242 -16.652 -18.417 1.00 72.10 C ATOM 750 CD LYS A 50 18.607 -16.086 -19.779 1.00 23.20 C ATOM 751 CE LYS A 50 19.528 -17.025 -20.544 1.00 12.12 C ATOM 752 NZ LYS A 50 20.708 -16.310 -21.103 1.00 63.13 N ATOM 0 H LYS A 50 16.088 -13.613 -18.075 1.00 3.13 H new ATOM 0 HA LYS A 50 15.829 -16.516 -17.592 1.00 1.14 H new ATOM 0 HB2 LYS A 50 18.075 -14.596 -17.853 1.00 41.54 H new ATOM 0 HB3 LYS A 50 18.228 -15.701 -16.502 1.00 41.54 H new ATOM 0 HG2 LYS A 50 19.110 -17.148 -17.984 1.00 72.10 H new ATOM 0 HG3 LYS A 50 17.467 -17.410 -18.533 1.00 72.10 H new ATOM 0 HD2 LYS A 50 17.700 -15.913 -20.358 1.00 23.20 H new ATOM 0 HD3 LYS A 50 19.094 -15.119 -19.654 1.00 23.20 H new ATOM 0 HE2 LYS A 50 19.866 -17.822 -19.881 1.00 12.12 H new ATOM 0 HE3 LYS A 50 18.973 -17.498 -21.354 1.00 12.12 H new ATOM 0 HZ1 LYS A 50 21.311 -16.984 -21.617 1.00 63.13 H new ATOM 0 HZ2 LYS A 50 20.386 -15.566 -21.755 1.00 63.13 H new ATOM 0 HZ3 LYS A 50 21.252 -15.880 -20.328 1.00 63.13 H new ATOM 766 N THR A 51 15.661 -14.060 -15.463 1.00 62.43 N ATOM 767 CA THR A 51 15.324 -13.706 -14.090 1.00 42.35 C ATOM 768 C THR A 51 14.445 -12.461 -14.044 1.00 63.12 C ATOM 769 O THR A 51 14.263 -11.781 -15.054 1.00 12.32 O ATOM 770 CB THR A 51 16.589 -13.459 -13.247 1.00 44.43 C ATOM 771 OG1 THR A 51 17.306 -12.329 -13.759 1.00 22.41 O ATOM 772 CG2 THR A 51 17.491 -14.683 -13.253 1.00 65.43 C ATOM 0 H THR A 51 15.700 -13.269 -16.105 1.00 62.43 H new ATOM 0 HA THR A 51 14.776 -14.550 -13.671 1.00 42.35 H new ATOM 0 HB THR A 51 16.281 -13.259 -12.221 1.00 44.43 H new ATOM 0 HG1 THR A 51 18.108 -12.177 -13.217 1.00 22.41 H new ATOM 0 HG21 THR A 51 18.378 -14.484 -12.651 1.00 65.43 H new ATOM 0 HG22 THR A 51 16.952 -15.534 -12.836 1.00 65.43 H new ATOM 0 HG23 THR A 51 17.790 -14.909 -14.276 1.00 65.43 H new ATOM 780 N ARG A 52 13.904 -12.168 -12.866 1.00 75.54 N ATOM 781 CA ARG A 52 13.043 -11.005 -12.689 1.00 71.12 C ATOM 782 C ARG A 52 13.716 -9.744 -13.224 1.00 22.32 C ATOM 783 O ARG A 52 13.048 -8.822 -13.691 1.00 13.03 O ATOM 784 CB ARG A 52 12.694 -10.822 -11.211 1.00 24.31 C ATOM 785 CG ARG A 52 13.839 -10.266 -10.380 1.00 13.33 C ATOM 786 CD ARG A 52 13.492 -10.242 -8.899 1.00 54.23 C ATOM 787 NE ARG A 52 14.466 -9.481 -8.121 1.00 74.20 N ATOM 788 CZ ARG A 52 14.620 -9.611 -6.808 1.00 73.00 C ATOM 789 NH1 ARG A 52 13.868 -10.468 -6.130 1.00 50.45 N ATOM 790 NH2 ARG A 52 15.528 -8.884 -6.170 1.00 52.53 N ATOM 0 H ARG A 52 14.047 -12.720 -12.020 1.00 75.54 H new ATOM 0 HA ARG A 52 12.126 -11.174 -13.253 1.00 71.12 H new ATOM 0 HB2 ARG A 52 11.838 -10.153 -11.129 1.00 24.31 H new ATOM 0 HB3 ARG A 52 12.388 -11.783 -10.797 1.00 24.31 H new ATOM 0 HG2 ARG A 52 14.731 -10.872 -10.536 1.00 13.33 H new ATOM 0 HG3 ARG A 52 14.077 -9.257 -10.716 1.00 13.33 H new ATOM 0 HD2 ARG A 52 12.502 -9.807 -8.766 1.00 54.23 H new ATOM 0 HD3 ARG A 52 13.445 -11.263 -8.521 1.00 54.23 H new ATOM 0 HE ARG A 52 15.060 -8.813 -8.613 1.00 74.20 H new ATOM 0 HH11 ARG A 52 13.169 -11.029 -6.617 1.00 50.45 H new ATOM 0 HH12 ARG A 52 13.989 -10.566 -5.122 1.00 50.45 H new ATOM 0 HH21 ARG A 52 16.109 -8.224 -6.688 1.00 52.53 H new ATOM 0 HH22 ARG A 52 15.645 -8.985 -5.162 1.00 52.53 H new ATOM 804 N ASP A 53 15.042 -9.712 -13.151 1.00 62.12 N ATOM 805 CA ASP A 53 15.806 -8.565 -13.628 1.00 63.21 C ATOM 806 C ASP A 53 15.730 -8.455 -15.148 1.00 20.23 C ATOM 807 O ASP A 53 15.472 -7.381 -15.689 1.00 55.10 O ATOM 808 CB ASP A 53 17.266 -8.678 -13.185 1.00 51.02 C ATOM 809 CG ASP A 53 18.010 -7.363 -13.303 1.00 41.54 C ATOM 810 OD1 ASP A 53 17.349 -6.303 -13.291 1.00 73.03 O ATOM 811 OD2 ASP A 53 19.254 -7.392 -13.407 1.00 61.43 O ATOM 0 H ASP A 53 15.610 -10.467 -12.766 1.00 62.12 H new ATOM 0 HA ASP A 53 15.371 -7.664 -13.194 1.00 63.21 H new ATOM 0 HB2 ASP A 53 17.303 -9.022 -12.151 1.00 51.02 H new ATOM 0 HB3 ASP A 53 17.769 -9.432 -13.790 1.00 51.02 H new ATOM 816 N GLU A 54 15.958 -9.574 -15.829 1.00 51.32 N ATOM 817 CA GLU A 54 15.917 -9.601 -17.287 1.00 34.35 C ATOM 818 C GLU A 54 14.591 -9.051 -17.804 1.00 34.22 C ATOM 819 O GLU A 54 14.565 -8.166 -18.659 1.00 54.11 O ATOM 820 CB GLU A 54 16.123 -11.029 -17.798 1.00 4.42 C ATOM 821 CG GLU A 54 16.532 -11.098 -19.260 1.00 31.24 C ATOM 822 CD GLU A 54 17.455 -12.265 -19.552 1.00 41.04 C ATOM 823 OE1 GLU A 54 18.458 -12.425 -18.826 1.00 61.43 O ATOM 824 OE2 GLU A 54 17.174 -13.018 -20.508 1.00 53.03 O ATOM 0 H GLU A 54 16.173 -10.472 -15.396 1.00 51.32 H new ATOM 0 HA GLU A 54 16.723 -8.969 -17.660 1.00 34.35 H new ATOM 0 HB2 GLU A 54 16.887 -11.516 -17.192 1.00 4.42 H new ATOM 0 HB3 GLU A 54 15.200 -11.592 -17.660 1.00 4.42 H new ATOM 0 HG2 GLU A 54 15.639 -11.182 -19.880 1.00 31.24 H new ATOM 0 HG3 GLU A 54 17.028 -10.168 -19.539 1.00 31.24 H new ATOM 831 N TYR A 55 13.492 -9.582 -17.279 1.00 72.33 N ATOM 832 CA TYR A 55 12.162 -9.148 -17.689 1.00 51.44 C ATOM 833 C TYR A 55 11.929 -7.685 -17.322 1.00 64.21 C ATOM 834 O TYR A 55 11.680 -6.847 -18.189 1.00 43.33 O ATOM 835 CB TYR A 55 11.092 -10.025 -17.037 1.00 70.15 C ATOM 836 CG TYR A 55 9.683 -9.521 -17.252 1.00 34.42 C ATOM 837 CD1 TYR A 55 9.032 -9.713 -18.464 1.00 72.42 C ATOM 838 CD2 TYR A 55 9.001 -8.854 -16.241 1.00 63.11 C ATOM 839 CE1 TYR A 55 7.744 -9.254 -18.664 1.00 65.15 C ATOM 840 CE2 TYR A 55 7.713 -8.393 -16.432 1.00 42.30 C ATOM 841 CZ TYR A 55 7.089 -8.595 -17.645 1.00 43.45 C ATOM 842 OH TYR A 55 5.806 -8.137 -17.841 1.00 4.15 O ATOM 0 H TYR A 55 13.496 -10.314 -16.568 1.00 72.33 H new ATOM 0 HA TYR A 55 12.093 -9.248 -18.772 1.00 51.44 H new ATOM 0 HB2 TYR A 55 11.172 -11.037 -17.434 1.00 70.15 H new ATOM 0 HB3 TYR A 55 11.287 -10.087 -15.966 1.00 70.15 H new ATOM 0 HD1 TYR A 55 9.541 -10.230 -19.264 1.00 72.42 H new ATOM 0 HD2 TYR A 55 9.487 -8.693 -15.290 1.00 63.11 H new ATOM 0 HE1 TYR A 55 7.253 -9.411 -19.613 1.00 65.15 H new ATOM 0 HE2 TYR A 55 7.197 -7.877 -15.636 1.00 42.30 H new ATOM 0 HH TYR A 55 5.237 -8.432 -17.100 1.00 4.15 H new ATOM 852 N LEU A 56 12.013 -7.386 -16.030 1.00 61.25 N ATOM 853 CA LEU A 56 11.813 -6.025 -15.546 1.00 11.12 C ATOM 854 C LEU A 56 12.664 -5.035 -16.335 1.00 31.20 C ATOM 855 O LEU A 56 12.282 -3.879 -16.516 1.00 71.11 O ATOM 856 CB LEU A 56 12.156 -5.937 -14.058 1.00 11.24 C ATOM 857 CG LEU A 56 11.071 -6.411 -13.090 1.00 25.14 C ATOM 858 CD1 LEU A 56 11.697 -7.042 -11.855 1.00 53.11 C ATOM 859 CD2 LEU A 56 10.163 -5.255 -12.698 1.00 3.40 C ATOM 0 H LEU A 56 12.218 -8.068 -15.299 1.00 61.25 H new ATOM 0 HA LEU A 56 10.764 -5.766 -15.687 1.00 11.12 H new ATOM 0 HB2 LEU A 56 13.057 -6.524 -13.878 1.00 11.24 H new ATOM 0 HB3 LEU A 56 12.398 -4.901 -13.822 1.00 11.24 H new ATOM 0 HG LEU A 56 10.467 -7.166 -13.593 1.00 25.14 H new ATOM 0 HD11 LEU A 56 10.910 -7.373 -11.177 1.00 53.11 H new ATOM 0 HD12 LEU A 56 12.305 -7.897 -12.152 1.00 53.11 H new ATOM 0 HD13 LEU A 56 12.325 -6.308 -11.350 1.00 53.11 H new ATOM 0 HD21 LEU A 56 9.397 -5.611 -12.009 1.00 3.40 H new ATOM 0 HD22 LEU A 56 10.753 -4.477 -12.214 1.00 3.40 H new ATOM 0 HD23 LEU A 56 9.687 -4.847 -13.590 1.00 3.40 H new ATOM 871 N SER A 57 13.818 -5.498 -16.804 1.00 43.21 N ATOM 872 CA SER A 57 14.725 -4.653 -17.573 1.00 14.20 C ATOM 873 C SER A 57 14.190 -4.425 -18.984 1.00 33.34 C ATOM 874 O SER A 57 13.996 -3.286 -19.411 1.00 33.34 O ATOM 875 CB SER A 57 16.115 -5.288 -17.639 1.00 0.52 C ATOM 876 OG SER A 57 17.053 -4.401 -18.225 1.00 31.44 O ATOM 0 H SER A 57 14.147 -6.453 -16.665 1.00 43.21 H new ATOM 0 HA SER A 57 14.798 -3.689 -17.070 1.00 14.20 H new ATOM 0 HB2 SER A 57 16.443 -5.558 -16.635 1.00 0.52 H new ATOM 0 HB3 SER A 57 16.070 -6.210 -18.219 1.00 0.52 H new ATOM 0 HG SER A 57 17.934 -4.829 -18.254 1.00 31.44 H new ATOM 882 N LEU A 58 13.953 -5.517 -19.703 1.00 3.21 N ATOM 883 CA LEU A 58 13.441 -5.438 -21.066 1.00 75.44 C ATOM 884 C LEU A 58 12.108 -4.698 -21.105 1.00 55.11 C ATOM 885 O LEU A 58 11.835 -3.937 -22.034 1.00 33.13 O ATOM 886 CB LEU A 58 13.274 -6.842 -21.651 1.00 64.03 C ATOM 887 CG LEU A 58 14.557 -7.530 -22.121 1.00 11.41 C ATOM 888 CD1 LEU A 58 14.523 -9.012 -21.782 1.00 52.30 C ATOM 889 CD2 LEU A 58 14.754 -7.327 -23.616 1.00 40.21 C ATOM 0 H LEU A 58 14.107 -6.467 -19.365 1.00 3.21 H new ATOM 0 HA LEU A 58 14.162 -4.883 -21.667 1.00 75.44 H new ATOM 0 HB2 LEU A 58 12.801 -7.474 -20.899 1.00 64.03 H new ATOM 0 HB3 LEU A 58 12.587 -6.783 -22.495 1.00 64.03 H new ATOM 0 HG LEU A 58 15.401 -7.079 -21.599 1.00 11.41 H new ATOM 0 HD11 LEU A 58 15.444 -9.485 -22.124 1.00 52.30 H new ATOM 0 HD12 LEU A 58 14.430 -9.136 -20.703 1.00 52.30 H new ATOM 0 HD13 LEU A 58 13.671 -9.479 -22.276 1.00 52.30 H new ATOM 0 HD21 LEU A 58 15.671 -7.823 -23.933 1.00 40.21 H new ATOM 0 HD22 LEU A 58 13.907 -7.751 -24.155 1.00 40.21 H new ATOM 0 HD23 LEU A 58 14.825 -6.261 -23.832 1.00 40.21 H new ATOM 901 N VAL A 59 11.281 -4.924 -20.089 1.00 31.40 N ATOM 902 CA VAL A 59 9.978 -4.276 -20.005 1.00 35.32 C ATOM 903 C VAL A 59 10.123 -2.764 -19.882 1.00 52.34 C ATOM 904 O VAL A 59 9.595 -2.011 -20.701 1.00 24.12 O ATOM 905 CB VAL A 59 9.166 -4.802 -18.806 1.00 11.22 C ATOM 906 CG1 VAL A 59 7.839 -4.066 -18.695 1.00 44.30 C ATOM 907 CG2 VAL A 59 8.944 -6.302 -18.930 1.00 0.35 C ATOM 0 H VAL A 59 11.491 -5.551 -19.312 1.00 31.40 H new ATOM 0 HA VAL A 59 9.447 -4.513 -20.927 1.00 35.32 H new ATOM 0 HB VAL A 59 9.735 -4.616 -17.895 1.00 11.22 H new ATOM 0 HG11 VAL A 59 7.280 -4.451 -17.843 1.00 44.30 H new ATOM 0 HG12 VAL A 59 8.024 -3.001 -18.556 1.00 44.30 H new ATOM 0 HG13 VAL A 59 7.261 -4.218 -19.607 1.00 44.30 H new ATOM 0 HG21 VAL A 59 8.369 -6.657 -18.075 1.00 0.35 H new ATOM 0 HG22 VAL A 59 8.397 -6.514 -19.848 1.00 0.35 H new ATOM 0 HG23 VAL A 59 9.907 -6.811 -18.956 1.00 0.35 H new ATOM 917 N ALA A 60 10.842 -2.325 -18.855 1.00 21.14 N ATOM 918 CA ALA A 60 11.059 -0.902 -18.626 1.00 43.01 C ATOM 919 C ALA A 60 11.615 -0.224 -19.874 1.00 31.10 C ATOM 920 O ALA A 60 11.072 0.777 -20.342 1.00 22.02 O ATOM 921 CB ALA A 60 11.999 -0.694 -17.447 1.00 53.05 C ATOM 0 H ALA A 60 11.285 -2.935 -18.168 1.00 21.14 H new ATOM 0 HA ALA A 60 10.097 -0.446 -18.394 1.00 43.01 H new ATOM 0 HB1 ALA A 60 12.152 0.373 -17.288 1.00 53.05 H new ATOM 0 HB2 ALA A 60 11.562 -1.136 -16.551 1.00 53.05 H new ATOM 0 HB3 ALA A 60 12.957 -1.170 -17.657 1.00 53.05 H new ATOM 927 N ARG A 61 12.700 -0.776 -20.408 1.00 11.52 N ATOM 928 CA ARG A 61 13.330 -0.222 -21.601 1.00 31.44 C ATOM 929 C ARG A 61 12.306 -0.023 -22.714 1.00 35.02 C ATOM 930 O ARG A 61 12.249 1.038 -23.337 1.00 72.33 O ATOM 931 CB ARG A 61 14.452 -1.143 -22.084 1.00 72.23 C ATOM 932 CG ARG A 61 15.470 -0.448 -22.973 1.00 51.31 C ATOM 933 CD ARG A 61 15.937 -1.355 -24.101 1.00 13.22 C ATOM 934 NE ARG A 61 17.311 -1.066 -24.502 1.00 52.14 N ATOM 935 CZ ARG A 61 17.665 0.019 -25.181 1.00 42.35 C ATOM 936 NH1 ARG A 61 16.751 0.914 -25.532 1.00 64.44 N ATOM 937 NH2 ARG A 61 18.936 0.212 -25.510 1.00 42.05 N ATOM 0 H ARG A 61 13.161 -1.606 -20.034 1.00 11.52 H new ATOM 0 HA ARG A 61 13.752 0.749 -21.342 1.00 31.44 H new ATOM 0 HB2 ARG A 61 14.965 -1.562 -21.218 1.00 72.23 H new ATOM 0 HB3 ARG A 61 14.015 -1.978 -22.631 1.00 72.23 H new ATOM 0 HG2 ARG A 61 15.031 0.458 -23.391 1.00 51.31 H new ATOM 0 HG3 ARG A 61 16.327 -0.140 -22.374 1.00 51.31 H new ATOM 0 HD2 ARG A 61 15.863 -2.395 -23.784 1.00 13.22 H new ATOM 0 HD3 ARG A 61 15.276 -1.236 -24.959 1.00 13.22 H new ATOM 0 HE ARG A 61 18.038 -1.734 -24.247 1.00 52.14 H new ATOM 0 HH11 ARG A 61 15.773 0.770 -25.280 1.00 64.44 H new ATOM 0 HH12 ARG A 61 17.026 1.746 -26.053 1.00 64.44 H new ATOM 0 HH21 ARG A 61 19.642 -0.473 -25.241 1.00 42.05 H new ATOM 0 HH22 ARG A 61 19.207 1.046 -26.032 1.00 42.05 H new ATOM 951 N LEU A 62 11.498 -1.049 -22.958 1.00 62.23 N ATOM 952 CA LEU A 62 10.476 -0.988 -23.997 1.00 15.42 C ATOM 953 C LEU A 62 9.507 0.162 -23.740 1.00 11.34 C ATOM 954 O LEU A 62 9.215 0.953 -24.637 1.00 75.13 O ATOM 955 CB LEU A 62 9.709 -2.310 -24.065 1.00 1.35 C ATOM 956 CG LEU A 62 9.613 -2.960 -25.445 1.00 63.11 C ATOM 957 CD1 LEU A 62 9.492 -4.471 -25.316 1.00 53.53 C ATOM 958 CD2 LEU A 62 8.434 -2.392 -26.221 1.00 70.54 C ATOM 0 H LEU A 62 11.531 -1.933 -22.450 1.00 62.23 H new ATOM 0 HA LEU A 62 10.973 -0.814 -24.951 1.00 15.42 H new ATOM 0 HB2 LEU A 62 10.183 -3.017 -23.385 1.00 1.35 H new ATOM 0 HB3 LEU A 62 8.698 -2.140 -23.695 1.00 1.35 H new ATOM 0 HG LEU A 62 10.526 -2.735 -25.996 1.00 63.11 H new ATOM 0 HD11 LEU A 62 9.425 -4.917 -26.308 1.00 53.53 H new ATOM 0 HD12 LEU A 62 10.369 -4.864 -24.801 1.00 53.53 H new ATOM 0 HD13 LEU A 62 8.596 -4.717 -24.746 1.00 53.53 H new ATOM 0 HD21 LEU A 62 8.381 -2.866 -27.201 1.00 70.54 H new ATOM 0 HD22 LEU A 62 7.511 -2.585 -25.674 1.00 70.54 H new ATOM 0 HD23 LEU A 62 8.564 -1.317 -26.345 1.00 70.54 H new ATOM 970 N ILE A 63 9.014 0.250 -22.509 1.00 4.03 N ATOM 971 CA ILE A 63 8.082 1.305 -22.133 1.00 53.30 C ATOM 972 C ILE A 63 8.715 2.683 -22.298 1.00 32.35 C ATOM 973 O ILE A 63 8.179 3.544 -22.996 1.00 60.31 O ATOM 974 CB ILE A 63 7.604 1.143 -20.678 1.00 21.31 C ATOM 975 CG1 ILE A 63 6.679 -0.070 -20.554 1.00 65.12 C ATOM 976 CG2 ILE A 63 6.896 2.405 -20.209 1.00 5.14 C ATOM 977 CD1 ILE A 63 6.232 -0.346 -19.136 1.00 35.20 C ATOM 0 H ILE A 63 9.245 -0.397 -21.755 1.00 4.03 H new ATOM 0 HA ILE A 63 7.224 1.220 -22.800 1.00 53.30 H new ATOM 0 HB ILE A 63 8.474 0.980 -20.042 1.00 21.31 H new ATOM 0 HG12 ILE A 63 5.800 0.088 -21.179 1.00 65.12 H new ATOM 0 HG13 ILE A 63 7.192 -0.950 -20.942 1.00 65.12 H new ATOM 0 HG21 ILE A 63 6.564 2.275 -19.179 1.00 5.14 H new ATOM 0 HG22 ILE A 63 7.583 3.250 -20.265 1.00 5.14 H new ATOM 0 HG23 ILE A 63 6.033 2.596 -20.847 1.00 5.14 H new ATOM 0 HD11 ILE A 63 5.579 -1.219 -19.124 1.00 35.20 H new ATOM 0 HD12 ILE A 63 7.104 -0.536 -18.510 1.00 35.20 H new ATOM 0 HD13 ILE A 63 5.690 0.518 -18.751 1.00 35.20 H new ATOM 989 N ILE A 64 9.858 2.883 -21.651 1.00 43.23 N ATOM 990 CA ILE A 64 10.566 4.155 -21.729 1.00 1.15 C ATOM 991 C ILE A 64 10.758 4.591 -23.177 1.00 74.43 C ATOM 992 O ILE A 64 10.614 5.768 -23.507 1.00 44.40 O ATOM 993 CB ILE A 64 11.942 4.076 -21.042 1.00 4.22 C ATOM 994 CG1 ILE A 64 11.774 3.923 -19.529 1.00 33.12 C ATOM 995 CG2 ILE A 64 12.768 5.313 -21.366 1.00 34.53 C ATOM 996 CD1 ILE A 64 12.589 2.792 -18.941 1.00 41.53 C ATOM 0 H ILE A 64 10.313 2.181 -21.067 1.00 43.23 H new ATOM 0 HA ILE A 64 9.951 4.890 -21.210 1.00 1.15 H new ATOM 0 HB ILE A 64 12.470 3.201 -21.420 1.00 4.22 H new ATOM 0 HG12 ILE A 64 12.060 4.856 -19.044 1.00 33.12 H new ATOM 0 HG13 ILE A 64 10.721 3.756 -19.304 1.00 33.12 H new ATOM 0 HG21 ILE A 64 13.738 5.242 -20.873 1.00 34.53 H new ATOM 0 HG22 ILE A 64 12.913 5.382 -22.444 1.00 34.53 H new ATOM 0 HG23 ILE A 64 12.246 6.202 -21.013 1.00 34.53 H new ATOM 0 HD11 ILE A 64 12.420 2.743 -17.865 1.00 41.53 H new ATOM 0 HD12 ILE A 64 12.287 1.850 -19.399 1.00 41.53 H new ATOM 0 HD13 ILE A 64 13.647 2.967 -19.135 1.00 41.53 H new ATOM 1008 N HIS A 65 11.081 3.632 -24.040 1.00 14.11 N ATOM 1009 CA HIS A 65 11.289 3.916 -25.455 1.00 63.03 C ATOM 1010 C HIS A 65 10.002 4.413 -26.105 1.00 74.35 C ATOM 1011 O HIS A 65 10.027 5.298 -26.961 1.00 3.15 O ATOM 1012 CB HIS A 65 11.791 2.666 -26.179 1.00 53.12 C ATOM 1013 CG HIS A 65 12.939 2.930 -27.104 1.00 23.43 C ATOM 1014 ND1 HIS A 65 14.076 3.608 -26.717 1.00 60.24 N ATOM 1015 CD2 HIS A 65 13.123 2.600 -28.404 1.00 0.14 C ATOM 1016 CE1 HIS A 65 14.909 3.686 -27.740 1.00 75.32 C ATOM 1017 NE2 HIS A 65 14.354 3.081 -28.776 1.00 1.44 N ATOM 0 H HIS A 65 11.204 2.652 -23.784 1.00 14.11 H new ATOM 0 HA HIS A 65 12.041 4.700 -25.536 1.00 63.03 H new ATOM 0 HB2 HIS A 65 12.094 1.925 -25.439 1.00 53.12 H new ATOM 0 HB3 HIS A 65 10.969 2.231 -26.748 1.00 53.12 H new ATOM 0 HD2 HIS A 65 12.430 2.059 -29.032 1.00 0.14 H new ATOM 0 HE1 HIS A 65 15.878 4.163 -27.731 1.00 75.32 H new ATOM 0 HE2 HIS A 65 14.772 2.987 -29.701 1.00 1.44 H new ATOM 1025 N PHE A 66 8.877 3.836 -25.695 1.00 53.30 N ATOM 1026 CA PHE A 66 7.579 4.219 -26.239 1.00 11.22 C ATOM 1027 C PHE A 66 7.253 5.670 -25.898 1.00 0.33 C ATOM 1028 O PHE A 66 6.719 6.409 -26.725 1.00 63.15 O ATOM 1029 CB PHE A 66 6.484 3.298 -25.698 1.00 34.12 C ATOM 1030 CG PHE A 66 6.276 2.063 -26.527 1.00 34.22 C ATOM 1031 CD1 PHE A 66 6.061 2.157 -27.892 1.00 70.04 C ATOM 1032 CD2 PHE A 66 6.294 0.808 -25.940 1.00 63.44 C ATOM 1033 CE1 PHE A 66 5.870 1.022 -28.658 1.00 54.43 C ATOM 1034 CE2 PHE A 66 6.104 -0.330 -26.701 1.00 71.41 C ATOM 1035 CZ PHE A 66 5.890 -0.223 -28.061 1.00 41.15 C ATOM 0 H PHE A 66 8.838 3.102 -24.988 1.00 53.30 H new ATOM 0 HA PHE A 66 7.624 4.120 -27.324 1.00 11.22 H new ATOM 0 HB2 PHE A 66 6.738 3.004 -24.680 1.00 34.12 H new ATOM 0 HB3 PHE A 66 5.547 3.853 -25.645 1.00 34.12 H new ATOM 0 HD1 PHE A 66 6.042 3.128 -28.364 1.00 70.04 H new ATOM 0 HD2 PHE A 66 6.458 0.718 -24.876 1.00 63.44 H new ATOM 0 HE1 PHE A 66 5.705 1.109 -29.722 1.00 54.43 H new ATOM 0 HE2 PHE A 66 6.123 -1.303 -26.232 1.00 71.41 H new ATOM 0 HZ PHE A 66 5.739 -1.111 -28.656 1.00 41.15 H new