USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=9 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 Set 1.1: A 17 GLN : amide:sc= -2! C(o=-2!,f=-3.6!) USER MOD Set 1.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.0417 (180deg=-0.318) USER MOD Single : A 22 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.53) USER MOD Single : A 27 MET CE :methyl 148:sc= -0.391 (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 -40:sc= 0.675 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.055) 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 165:sc= -1.41 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 10 8.711 -12.482 -9.389 1.00 42.02 N ATOM 101 CA TRP A 10 8.241 -11.963 -10.669 1.00 2.34 C ATOM 102 C TRP A 10 7.390 -12.997 -11.396 1.00 73.22 C ATOM 103 O TRP A 10 6.861 -12.731 -12.476 1.00 1.03 O ATOM 104 CB TRP A 10 9.428 -11.554 -11.543 1.00 75.13 C ATOM 105 CG TRP A 10 10.140 -12.720 -12.160 1.00 2.42 C ATOM 106 CD1 TRP A 10 10.809 -13.712 -11.502 1.00 62.34 C ATOM 107 CD2 TRP A 10 10.256 -13.012 -13.557 1.00 2.24 C ATOM 108 NE1 TRP A 10 11.334 -14.604 -12.406 1.00 61.14 N ATOM 109 CE2 TRP A 10 11.008 -14.197 -13.673 1.00 62.32 C ATOM 110 CE3 TRP A 10 9.797 -12.389 -14.720 1.00 15.11 C ATOM 111 CZ2 TRP A 10 11.310 -14.769 -14.906 1.00 41.34 C ATOM 112 CZ3 TRP A 10 10.097 -12.957 -15.943 1.00 63.12 C ATOM 113 CH2 TRP A 10 10.847 -14.137 -16.029 1.00 24.50 C ATOM 0 HA TRP A 10 7.624 -11.086 -10.473 1.00 2.34 H new ATOM 0 HB2 TRP A 10 9.076 -10.892 -12.334 1.00 75.13 H new ATOM 0 HB3 TRP A 10 10.135 -10.983 -10.940 1.00 75.13 H new ATOM 0 HD1 TRP A 10 10.911 -13.785 -10.429 1.00 62.34 H new ATOM 0 HE1 TRP A 10 11.878 -15.434 -12.172 1.00 61.14 H new ATOM 0 HE3 TRP A 10 9.218 -11.479 -14.664 1.00 15.11 H new ATOM 0 HZ2 TRP A 10 11.889 -15.678 -14.974 1.00 41.34 H new ATOM 0 HZ3 TRP A 10 9.747 -12.483 -16.848 1.00 63.12 H new ATOM 0 HH2 TRP A 10 11.064 -14.557 -17.000 1.00 24.50 H new ATOM 124 N ARG A 11 7.261 -14.177 -10.799 1.00 32.33 N ATOM 125 CA ARG A 11 6.474 -15.252 -11.391 1.00 52.14 C ATOM 126 C ARG A 11 5.029 -15.201 -10.903 1.00 22.15 C ATOM 127 O ARG A 11 4.145 -15.832 -11.482 1.00 12.14 O ATOM 128 CB ARG A 11 7.090 -16.611 -11.054 1.00 3.45 C ATOM 129 CG ARG A 11 7.841 -17.244 -12.213 1.00 70.14 C ATOM 130 CD ARG A 11 8.768 -18.352 -11.738 1.00 44.43 C ATOM 131 NE ARG A 11 8.324 -19.668 -12.187 1.00 73.25 N ATOM 132 CZ ARG A 11 7.376 -20.372 -11.577 1.00 43.44 C ATOM 133 NH1 ARG A 11 6.777 -19.887 -10.499 1.00 13.31 N ATOM 134 NH2 ARG A 11 7.026 -21.562 -12.047 1.00 24.44 N ATOM 0 H ARG A 11 7.692 -14.413 -9.905 1.00 32.33 H new ATOM 0 HA ARG A 11 6.479 -15.118 -12.473 1.00 52.14 H new ATOM 0 HB2 ARG A 11 7.772 -16.492 -10.212 1.00 3.45 H new ATOM 0 HB3 ARG A 11 6.300 -17.289 -10.731 1.00 3.45 H new ATOM 0 HG2 ARG A 11 7.129 -17.648 -12.932 1.00 70.14 H new ATOM 0 HG3 ARG A 11 8.421 -16.481 -12.732 1.00 70.14 H new ATOM 0 HD2 ARG A 11 9.776 -18.164 -12.107 1.00 44.43 H new ATOM 0 HD3 ARG A 11 8.820 -18.339 -10.649 1.00 44.43 H new ATOM 0 HE ARG A 11 8.766 -20.069 -13.014 1.00 73.25 H new ATOM 0 HH11 ARG A 11 7.043 -18.972 -10.136 1.00 13.31 H new ATOM 0 HH12 ARG A 11 6.050 -20.429 -10.032 1.00 13.31 H new ATOM 0 HH21 ARG A 11 7.485 -21.937 -12.877 1.00 24.44 H new ATOM 0 HH22 ARG A 11 6.298 -22.102 -11.578 1.00 24.44 H new ATOM 148 N SER A 12 4.798 -14.447 -9.833 1.00 0.32 N ATOM 149 CA SER A 12 3.462 -14.317 -9.263 1.00 50.02 C ATOM 150 C SER A 12 2.504 -13.677 -10.264 1.00 25.20 C ATOM 151 O SER A 12 2.881 -12.775 -11.013 1.00 11.45 O ATOM 152 CB SER A 12 3.510 -13.483 -7.981 1.00 72.33 C ATOM 153 OG SER A 12 2.243 -12.918 -7.693 1.00 33.21 O ATOM 0 H SER A 12 5.519 -13.917 -9.343 1.00 0.32 H new ATOM 0 HA SER A 12 3.097 -15.316 -9.025 1.00 50.02 H new ATOM 0 HB2 SER A 12 3.831 -14.109 -7.148 1.00 72.33 H new ATOM 0 HB3 SER A 12 4.250 -12.690 -8.087 1.00 72.33 H new ATOM 0 HG SER A 12 2.300 -12.391 -6.869 1.00 33.21 H new ATOM 159 N THR A 13 1.263 -14.151 -10.272 1.00 35.53 N ATOM 160 CA THR A 13 0.250 -13.628 -11.180 1.00 62.12 C ATOM 161 C THR A 13 0.133 -12.113 -11.059 1.00 34.25 C ATOM 162 O THR A 13 0.166 -11.396 -12.058 1.00 64.32 O ATOM 163 CB THR A 13 -1.128 -14.262 -10.911 1.00 43.20 C ATOM 164 OG1 THR A 13 -0.971 -15.636 -10.541 1.00 70.30 O ATOM 165 CG2 THR A 13 -2.019 -14.161 -12.139 1.00 52.45 C ATOM 0 H THR A 13 0.935 -14.897 -9.659 1.00 35.53 H new ATOM 0 HA THR A 13 0.568 -13.885 -12.190 1.00 62.12 H new ATOM 0 HB THR A 13 -1.600 -13.718 -10.093 1.00 43.20 H new ATOM 0 HG1 THR A 13 -1.851 -16.031 -10.370 1.00 70.30 H new ATOM 0 HG21 THR A 13 -2.986 -14.615 -11.925 1.00 52.45 H new ATOM 0 HG22 THR A 13 -2.160 -13.112 -12.401 1.00 52.45 H new ATOM 0 HG23 THR A 13 -1.550 -14.683 -12.973 1.00 52.45 H new ATOM 173 N ALA A 14 -0.005 -11.632 -9.827 1.00 41.03 N ATOM 174 CA ALA A 14 -0.125 -10.201 -9.575 1.00 64.33 C ATOM 175 C ALA A 14 1.019 -9.432 -10.227 1.00 2.52 C ATOM 176 O ALA A 14 0.795 -8.461 -10.950 1.00 12.30 O ATOM 177 CB ALA A 14 -0.161 -9.930 -8.079 1.00 23.35 C ATOM 0 H ALA A 14 -0.036 -12.212 -8.989 1.00 41.03 H new ATOM 0 HA ALA A 14 -1.059 -9.856 -10.018 1.00 64.33 H new ATOM 0 HB1 ALA A 14 -0.251 -8.858 -7.906 1.00 23.35 H new ATOM 0 HB2 ALA A 14 -1.016 -10.442 -7.637 1.00 23.35 H new ATOM 0 HB3 ALA A 14 0.758 -10.296 -7.621 1.00 23.35 H new ATOM 183 N PHE A 15 2.246 -9.870 -9.965 1.00 60.34 N ATOM 184 CA PHE A 15 3.426 -9.221 -10.525 1.00 74.03 C ATOM 185 C PHE A 15 3.295 -9.067 -12.038 1.00 24.31 C ATOM 186 O PHE A 15 3.160 -7.956 -12.550 1.00 73.12 O ATOM 187 CB PHE A 15 4.684 -10.024 -10.189 1.00 72.34 C ATOM 188 CG PHE A 15 5.923 -9.182 -10.085 1.00 12.21 C ATOM 189 CD1 PHE A 15 6.617 -8.803 -11.223 1.00 13.32 C ATOM 190 CD2 PHE A 15 6.393 -8.768 -8.849 1.00 63.41 C ATOM 191 CE1 PHE A 15 7.758 -8.028 -11.129 1.00 75.13 C ATOM 192 CE2 PHE A 15 7.533 -7.993 -8.749 1.00 64.23 C ATOM 193 CZ PHE A 15 8.216 -7.622 -9.891 1.00 53.12 C ATOM 0 H PHE A 15 2.449 -10.672 -9.368 1.00 60.34 H new ATOM 0 HA PHE A 15 3.509 -8.228 -10.082 1.00 74.03 H new ATOM 0 HB2 PHE A 15 4.530 -10.547 -9.245 1.00 72.34 H new ATOM 0 HB3 PHE A 15 4.835 -10.785 -10.955 1.00 72.34 H new ATOM 0 HD1 PHE A 15 6.263 -9.116 -12.194 1.00 13.32 H new ATOM 0 HD2 PHE A 15 5.862 -9.054 -7.953 1.00 63.41 H new ATOM 0 HE1 PHE A 15 8.291 -7.740 -12.023 1.00 75.13 H new ATOM 0 HE2 PHE A 15 7.889 -7.678 -7.779 1.00 64.23 H new ATOM 0 HZ PHE A 15 9.106 -7.016 -9.816 1.00 53.12 H new ATOM 203 N ARG A 16 3.338 -10.191 -12.747 1.00 5.34 N ATOM 204 CA ARG A 16 3.227 -10.182 -14.200 1.00 43.33 C ATOM 205 C ARG A 16 1.984 -9.418 -14.646 1.00 13.03 C ATOM 206 O ARG A 16 2.050 -8.572 -15.537 1.00 72.44 O ATOM 207 CB ARG A 16 3.180 -11.613 -14.738 1.00 51.03 C ATOM 208 CG ARG A 16 3.376 -11.705 -16.243 1.00 13.12 C ATOM 209 CD ARG A 16 3.344 -13.148 -16.722 1.00 15.24 C ATOM 210 NE ARG A 16 2.038 -13.767 -16.507 1.00 42.32 N ATOM 211 CZ ARG A 16 1.813 -15.069 -16.635 1.00 74.52 C ATOM 212 NH1 ARG A 16 2.800 -15.886 -16.974 1.00 62.53 N ATOM 213 NH2 ARG A 16 0.597 -15.558 -16.423 1.00 40.52 N ATOM 0 H ARG A 16 3.449 -11.119 -12.338 1.00 5.34 H new ATOM 0 HA ARG A 16 4.106 -9.678 -14.603 1.00 43.33 H new ATOM 0 HB2 ARG A 16 3.951 -12.204 -14.243 1.00 51.03 H new ATOM 0 HB3 ARG A 16 2.220 -12.059 -14.477 1.00 51.03 H new ATOM 0 HG2 ARG A 16 2.596 -11.136 -16.748 1.00 13.12 H new ATOM 0 HG3 ARG A 16 4.329 -11.251 -16.515 1.00 13.12 H new ATOM 0 HD2 ARG A 16 3.592 -13.183 -17.783 1.00 15.24 H new ATOM 0 HD3 ARG A 16 4.108 -13.721 -16.197 1.00 15.24 H new ATOM 0 HE ARG A 16 1.257 -13.166 -16.244 1.00 42.32 H new ATOM 0 HH11 ARG A 16 3.736 -15.515 -17.137 1.00 62.53 H new ATOM 0 HH12 ARG A 16 2.624 -16.886 -17.071 1.00 62.53 H new ATOM 0 HH21 ARG A 16 -0.166 -14.933 -16.161 1.00 40.52 H new ATOM 0 HH22 ARG A 16 0.425 -16.559 -16.522 1.00 40.52 H new ATOM 227 N GLN A 17 0.852 -9.723 -14.019 1.00 21.11 N ATOM 228 CA GLN A 17 -0.406 -9.066 -14.352 1.00 73.11 C ATOM 229 C GLN A 17 -0.244 -7.550 -14.355 1.00 54.45 C ATOM 230 O GLN A 17 -0.657 -6.872 -15.297 1.00 70.43 O ATOM 231 CB GLN A 17 -1.497 -9.472 -13.359 1.00 64.30 C ATOM 232 CG GLN A 17 -2.875 -8.941 -13.718 1.00 1.22 C ATOM 233 CD GLN A 17 -3.035 -7.469 -13.393 1.00 54.32 C ATOM 234 OE1 GLN A 17 -2.440 -6.962 -12.442 1.00 23.31 O ATOM 235 NE2 GLN A 17 -3.843 -6.772 -14.184 1.00 73.53 N ATOM 0 H GLN A 17 0.781 -10.420 -13.278 1.00 21.11 H new ATOM 0 HA GLN A 17 -0.699 -9.384 -15.353 1.00 73.11 H new ATOM 0 HB2 GLN A 17 -1.539 -10.560 -13.303 1.00 64.30 H new ATOM 0 HB3 GLN A 17 -1.225 -9.112 -12.367 1.00 64.30 H new ATOM 0 HG2 GLN A 17 -3.054 -9.096 -14.782 1.00 1.22 H new ATOM 0 HG3 GLN A 17 -3.632 -9.512 -13.181 1.00 1.22 H new ATOM 0 HE21 GLN A 17 -4.317 -7.232 -14.962 1.00 73.53 H new ATOM 0 HE22 GLN A 17 -3.990 -5.777 -14.014 1.00 73.53 H new ATOM 244 N LYS A 18 0.359 -7.022 -13.296 1.00 13.42 N ATOM 245 CA LYS A 18 0.577 -5.585 -13.176 1.00 14.03 C ATOM 246 C LYS A 18 1.349 -5.050 -14.377 1.00 50.51 C ATOM 247 O LYS A 18 0.897 -4.128 -15.058 1.00 71.12 O ATOM 248 CB LYS A 18 1.337 -5.270 -11.886 1.00 10.35 C ATOM 249 CG LYS A 18 0.468 -4.653 -10.803 1.00 4.30 C ATOM 250 CD LYS A 18 1.292 -4.242 -9.594 1.00 41.51 C ATOM 251 CE LYS A 18 0.415 -4.022 -8.371 1.00 24.23 C ATOM 252 NZ LYS A 18 -0.169 -5.298 -7.871 1.00 51.43 N ATOM 0 H LYS A 18 0.706 -7.568 -12.507 1.00 13.42 H new ATOM 0 HA LYS A 18 -0.397 -5.096 -13.145 1.00 14.03 H new ATOM 0 HB2 LYS A 18 1.783 -6.188 -11.503 1.00 10.35 H new ATOM 0 HB3 LYS A 18 2.157 -4.589 -12.114 1.00 10.35 H new ATOM 0 HG2 LYS A 18 -0.051 -3.782 -11.204 1.00 4.30 H new ATOM 0 HG3 LYS A 18 -0.297 -5.367 -10.498 1.00 4.30 H new ATOM 0 HD2 LYS A 18 2.033 -5.012 -9.378 1.00 41.51 H new ATOM 0 HD3 LYS A 18 1.840 -3.327 -9.820 1.00 41.51 H new ATOM 0 HE2 LYS A 18 1.004 -3.558 -7.580 1.00 24.23 H new ATOM 0 HE3 LYS A 18 -0.388 -3.328 -8.620 1.00 24.23 H new ATOM 0 HZ1 LYS A 18 -0.466 -5.179 -6.881 1.00 51.43 H new ATOM 0 HZ2 LYS A 18 -0.993 -5.554 -8.452 1.00 51.43 H new ATOM 0 HZ3 LYS A 18 0.544 -6.053 -7.930 1.00 51.43 H new ATOM 266 N LEU A 19 2.515 -5.633 -14.633 1.00 13.00 N ATOM 267 CA LEU A 19 3.349 -5.215 -15.754 1.00 65.41 C ATOM 268 C LEU A 19 2.565 -5.255 -17.062 1.00 10.14 C ATOM 269 O LEU A 19 2.628 -4.324 -17.864 1.00 43.43 O ATOM 270 CB LEU A 19 4.583 -6.113 -15.859 1.00 23.50 C ATOM 271 CG LEU A 19 5.714 -5.819 -14.872 1.00 74.21 C ATOM 272 CD1 LEU A 19 5.694 -6.817 -13.725 1.00 20.41 C ATOM 273 CD2 LEU A 19 7.060 -5.844 -15.581 1.00 22.45 C ATOM 0 H LEU A 19 2.904 -6.396 -14.080 1.00 13.00 H new ATOM 0 HA LEU A 19 3.668 -4.188 -15.574 1.00 65.41 H new ATOM 0 HB2 LEU A 19 4.268 -7.147 -15.721 1.00 23.50 H new ATOM 0 HB3 LEU A 19 4.981 -6.033 -16.871 1.00 23.50 H new ATOM 0 HG LEU A 19 5.562 -4.821 -14.460 1.00 74.21 H new ATOM 0 HD11 LEU A 19 6.506 -6.592 -13.033 1.00 20.41 H new ATOM 0 HD12 LEU A 19 4.741 -6.750 -13.201 1.00 20.41 H new ATOM 0 HD13 LEU A 19 5.821 -7.826 -14.118 1.00 20.41 H new ATOM 0 HD21 LEU A 19 7.853 -5.633 -14.864 1.00 22.45 H new ATOM 0 HD22 LEU A 19 7.221 -6.828 -16.021 1.00 22.45 H new ATOM 0 HD23 LEU A 19 7.071 -5.089 -16.367 1.00 22.45 H new ATOM 285 N VAL A 20 1.824 -6.339 -17.268 1.00 53.25 N ATOM 286 CA VAL A 20 1.024 -6.499 -18.477 1.00 13.41 C ATOM 287 C VAL A 20 0.183 -5.256 -18.748 1.00 44.30 C ATOM 288 O VAL A 20 0.201 -4.711 -19.852 1.00 12.34 O ATOM 289 CB VAL A 20 0.093 -7.722 -18.376 1.00 42.13 C ATOM 290 CG1 VAL A 20 -1.016 -7.636 -19.414 1.00 20.15 C ATOM 291 CG2 VAL A 20 0.887 -9.009 -18.538 1.00 62.30 C ATOM 0 H VAL A 20 1.761 -7.119 -16.614 1.00 53.25 H new ATOM 0 HA VAL A 20 1.722 -6.649 -19.301 1.00 13.41 H new ATOM 0 HB VAL A 20 -0.367 -7.727 -17.388 1.00 42.13 H new ATOM 0 HG11 VAL A 20 -1.664 -8.508 -19.328 1.00 20.15 H new ATOM 0 HG12 VAL A 20 -1.601 -6.732 -19.247 1.00 20.15 H new ATOM 0 HG13 VAL A 20 -0.579 -7.606 -20.412 1.00 20.15 H new ATOM 0 HG21 VAL A 20 0.214 -9.863 -18.464 1.00 62.30 H new ATOM 0 HG22 VAL A 20 1.375 -9.015 -19.512 1.00 62.30 H new ATOM 0 HG23 VAL A 20 1.641 -9.072 -17.754 1.00 62.30 H new ATOM 301 N SER A 21 -0.551 -4.812 -17.733 1.00 54.13 N ATOM 302 CA SER A 21 -1.402 -3.634 -17.863 1.00 23.43 C ATOM 303 C SER A 21 -0.580 -2.412 -18.259 1.00 43.31 C ATOM 304 O SER A 21 -0.940 -1.682 -19.182 1.00 12.31 O ATOM 305 CB SER A 21 -2.138 -3.364 -16.549 1.00 51.02 C ATOM 306 OG SER A 21 -3.016 -4.429 -16.228 1.00 25.31 O ATOM 0 H SER A 21 -0.574 -5.250 -16.812 1.00 54.13 H new ATOM 0 HA SER A 21 -2.133 -3.828 -18.648 1.00 23.43 H new ATOM 0 HB2 SER A 21 -1.415 -3.230 -15.745 1.00 51.02 H new ATOM 0 HB3 SER A 21 -2.702 -2.435 -16.629 1.00 51.02 H new ATOM 0 HG SER A 21 -3.473 -4.233 -15.383 1.00 25.31 H new ATOM 312 N GLN A 22 0.526 -2.196 -17.554 1.00 62.22 N ATOM 313 CA GLN A 22 1.399 -1.062 -17.832 1.00 4.15 C ATOM 314 C GLN A 22 1.795 -1.027 -19.304 1.00 51.41 C ATOM 315 O GLN A 22 1.639 -0.005 -19.974 1.00 72.42 O ATOM 316 CB GLN A 22 2.652 -1.130 -16.956 1.00 41.53 C ATOM 317 CG GLN A 22 2.352 -1.184 -15.467 1.00 74.51 C ATOM 318 CD GLN A 22 1.168 -0.321 -15.078 1.00 50.34 C ATOM 319 OE1 GLN A 22 1.127 0.871 -15.385 1.00 5.34 O ATOM 320 NE2 GLN A 22 0.196 -0.919 -14.400 1.00 13.21 N ATOM 0 H GLN A 22 0.838 -2.791 -16.787 1.00 62.22 H new ATOM 0 HA GLN A 22 0.851 -0.149 -17.601 1.00 4.15 H new ATOM 0 HB2 GLN A 22 3.232 -2.010 -17.233 1.00 41.53 H new ATOM 0 HB3 GLN A 22 3.276 -0.260 -17.161 1.00 41.53 H new ATOM 0 HG2 GLN A 22 2.155 -2.216 -15.177 1.00 74.51 H new ATOM 0 HG3 GLN A 22 3.232 -0.859 -14.911 1.00 74.51 H new ATOM 0 HE21 GLN A 22 0.271 -1.909 -14.167 1.00 13.21 H new ATOM 0 HE22 GLN A 22 -0.626 -0.388 -14.112 1.00 13.21 H new ATOM 329 N ILE A 23 2.307 -2.147 -19.801 1.00 24.31 N ATOM 330 CA ILE A 23 2.724 -2.244 -21.194 1.00 64.02 C ATOM 331 C ILE A 23 1.569 -1.927 -22.137 1.00 74.32 C ATOM 332 O ILE A 23 1.766 -1.339 -23.200 1.00 15.23 O ATOM 333 CB ILE A 23 3.270 -3.646 -21.522 1.00 64.24 C ATOM 334 CG1 ILE A 23 4.522 -3.937 -20.692 1.00 63.11 C ATOM 335 CG2 ILE A 23 3.575 -3.761 -23.008 1.00 62.45 C ATOM 336 CD1 ILE A 23 4.450 -5.239 -19.925 1.00 52.13 C ATOM 0 H ILE A 23 2.443 -3.001 -19.260 1.00 24.31 H new ATOM 0 HA ILE A 23 3.518 -1.511 -21.337 1.00 64.02 H new ATOM 0 HB ILE A 23 2.509 -4.384 -21.269 1.00 64.24 H new ATOM 0 HG12 ILE A 23 5.388 -3.962 -21.353 1.00 63.11 H new ATOM 0 HG13 ILE A 23 4.680 -3.119 -19.989 1.00 63.11 H new ATOM 0 HG21 ILE A 23 3.960 -4.757 -23.224 1.00 62.45 H new ATOM 0 HG22 ILE A 23 2.663 -3.592 -23.581 1.00 62.45 H new ATOM 0 HG23 ILE A 23 4.321 -3.016 -23.285 1.00 62.45 H new ATOM 0 HD11 ILE A 23 5.371 -5.380 -19.360 1.00 52.13 H new ATOM 0 HD12 ILE A 23 3.604 -5.211 -19.239 1.00 52.13 H new ATOM 0 HD13 ILE A 23 4.323 -6.066 -20.623 1.00 52.13 H new ATOM 348 N GLU A 24 0.363 -2.321 -21.739 1.00 54.53 N ATOM 349 CA GLU A 24 -0.825 -2.077 -22.549 1.00 72.24 C ATOM 350 C GLU A 24 -1.211 -0.601 -22.520 1.00 21.02 C ATOM 351 O GLU A 24 -1.667 -0.047 -23.521 1.00 24.35 O ATOM 352 CB GLU A 24 -1.993 -2.931 -22.051 1.00 12.21 C ATOM 353 CG GLU A 24 -2.836 -3.521 -23.169 1.00 14.12 C ATOM 354 CD GLU A 24 -4.195 -2.857 -23.288 1.00 23.45 C ATOM 355 OE1 GLU A 24 -4.254 -1.709 -23.775 1.00 73.40 O ATOM 356 OE2 GLU A 24 -5.198 -3.487 -22.893 1.00 34.22 O ATOM 0 H GLU A 24 0.183 -2.810 -20.862 1.00 54.53 H new ATOM 0 HA GLU A 24 -0.594 -2.354 -23.578 1.00 72.24 H new ATOM 0 HB2 GLU A 24 -1.603 -3.741 -21.435 1.00 12.21 H new ATOM 0 HB3 GLU A 24 -2.630 -2.322 -21.410 1.00 12.21 H new ATOM 0 HG2 GLU A 24 -2.302 -3.419 -24.114 1.00 14.12 H new ATOM 0 HG3 GLU A 24 -2.971 -4.588 -22.993 1.00 14.12 H new ATOM 363 N ASP A 25 -1.025 0.030 -21.365 1.00 73.35 N ATOM 364 CA ASP A 25 -1.353 1.442 -21.204 1.00 62.43 C ATOM 365 C ASP A 25 -0.364 2.319 -21.965 1.00 42.12 C ATOM 366 O ASP A 25 -0.758 3.247 -22.671 1.00 63.34 O ATOM 367 CB ASP A 25 -1.355 1.821 -19.723 1.00 21.44 C ATOM 368 CG ASP A 25 -2.144 3.086 -19.450 1.00 33.12 C ATOM 369 OD1 ASP A 25 -3.297 3.180 -19.921 1.00 72.42 O ATOM 370 OD2 ASP A 25 -1.610 3.982 -18.764 1.00 43.13 O ATOM 0 H ASP A 25 -0.649 -0.414 -20.527 1.00 73.35 H new ATOM 0 HA ASP A 25 -2.349 1.608 -21.615 1.00 62.43 H new ATOM 0 HB2 ASP A 25 -1.777 1.001 -19.142 1.00 21.44 H new ATOM 0 HB3 ASP A 25 -0.328 1.957 -19.384 1.00 21.44 H new ATOM 375 N ALA A 26 0.922 2.020 -21.815 1.00 23.21 N ATOM 376 CA ALA A 26 1.967 2.781 -22.488 1.00 65.43 C ATOM 377 C ALA A 26 1.810 2.707 -24.003 1.00 43.13 C ATOM 378 O ALA A 26 1.940 3.714 -24.700 1.00 31.45 O ATOM 379 CB ALA A 26 3.340 2.273 -22.073 1.00 4.20 C ATOM 0 H ALA A 26 1.265 1.256 -21.233 1.00 23.21 H new ATOM 0 HA ALA A 26 1.872 3.825 -22.189 1.00 65.43 H new ATOM 0 HB1 ALA A 26 4.111 2.850 -22.583 1.00 4.20 H new ATOM 0 HB2 ALA A 26 3.458 2.383 -20.995 1.00 4.20 H new ATOM 0 HB3 ALA A 26 3.436 1.221 -22.343 1.00 4.20 H new ATOM 385 N MET A 27 1.531 1.509 -24.507 1.00 41.53 N ATOM 386 CA MET A 27 1.356 1.306 -25.941 1.00 30.14 C ATOM 387 C MET A 27 0.175 2.117 -26.465 1.00 2.03 C ATOM 388 O MET A 27 0.275 2.779 -27.498 1.00 11.32 O ATOM 389 CB MET A 27 1.145 -0.179 -26.245 1.00 11.45 C ATOM 390 CG MET A 27 2.167 -0.752 -27.212 1.00 25.20 C ATOM 391 SD MET A 27 1.550 -2.194 -28.102 1.00 14.33 S ATOM 392 CE MET A 27 0.184 -1.472 -29.008 1.00 73.22 C ATOM 0 H MET A 27 1.421 0.665 -23.945 1.00 41.53 H new ATOM 0 HA MET A 27 2.260 1.648 -26.444 1.00 30.14 H new ATOM 0 HB2 MET A 27 1.184 -0.742 -25.312 1.00 11.45 H new ATOM 0 HB3 MET A 27 0.147 -0.318 -26.660 1.00 11.45 H new ATOM 0 HG2 MET A 27 2.454 0.017 -27.929 1.00 25.20 H new ATOM 0 HG3 MET A 27 3.067 -1.027 -26.662 1.00 25.20 H new ATOM 0 HE1 MET A 27 0.065 -1.989 -29.960 1.00 73.22 H new ATOM 0 HE2 MET A 27 -0.732 -1.570 -28.425 1.00 73.22 H new ATOM 0 HE3 MET A 27 0.386 -0.417 -29.191 1.00 73.22 H new ATOM 402 N ARG A 28 -0.941 2.060 -25.746 1.00 54.33 N ATOM 403 CA ARG A 28 -2.141 2.789 -26.140 1.00 73.44 C ATOM 404 C ARG A 28 -1.829 4.263 -26.378 1.00 43.13 C ATOM 405 O ARG A 28 -2.097 4.800 -27.453 1.00 45.33 O ATOM 406 CB ARG A 28 -3.222 2.652 -25.066 1.00 52.24 C ATOM 407 CG ARG A 28 -4.398 3.595 -25.263 1.00 0.34 C ATOM 408 CD ARG A 28 -5.726 2.870 -25.109 1.00 24.21 C ATOM 409 NE ARG A 28 -6.856 3.794 -25.095 1.00 11.35 N ATOM 410 CZ ARG A 28 -7.140 4.592 -24.071 1.00 40.11 C ATOM 411 NH1 ARG A 28 -6.380 4.579 -22.985 1.00 24.30 N ATOM 412 NH2 ARG A 28 -8.186 5.406 -24.133 1.00 51.00 N ATOM 0 H ARG A 28 -1.040 1.517 -24.888 1.00 54.33 H new ATOM 0 HA ARG A 28 -2.507 2.359 -27.072 1.00 73.44 H new ATOM 0 HB2 ARG A 28 -3.588 1.625 -25.059 1.00 52.24 H new ATOM 0 HB3 ARG A 28 -2.777 2.839 -24.089 1.00 52.24 H new ATOM 0 HG2 ARG A 28 -4.340 4.407 -24.538 1.00 0.34 H new ATOM 0 HG3 ARG A 28 -4.342 4.047 -26.253 1.00 0.34 H new ATOM 0 HD2 ARG A 28 -5.848 2.160 -25.927 1.00 24.21 H new ATOM 0 HD3 ARG A 28 -5.719 2.293 -24.185 1.00 24.21 H new ATOM 0 HE ARG A 28 -7.460 3.829 -25.916 1.00 11.35 H new ATOM 0 HH11 ARG A 28 -5.575 3.955 -22.934 1.00 24.30 H new ATOM 0 HH12 ARG A 28 -6.601 5.193 -22.201 1.00 24.30 H new ATOM 0 HH21 ARG A 28 -8.773 5.420 -24.967 1.00 51.00 H new ATOM 0 HH22 ARG A 28 -8.403 6.018 -23.347 1.00 51.00 H new ATOM 426 N LYS A 29 -1.261 4.913 -25.368 1.00 21.42 N ATOM 427 CA LYS A 29 -0.911 6.325 -25.466 1.00 24.43 C ATOM 428 C LYS A 29 0.267 6.529 -26.414 1.00 33.32 C ATOM 429 O LYS A 29 0.441 7.608 -26.979 1.00 32.02 O ATOM 430 CB LYS A 29 -0.568 6.883 -24.083 1.00 11.33 C ATOM 431 CG LYS A 29 -1.378 8.111 -23.705 1.00 54.21 C ATOM 432 CD LYS A 29 -0.807 8.800 -22.477 1.00 15.01 C ATOM 433 CE LYS A 29 0.430 9.615 -22.820 1.00 12.52 C ATOM 434 NZ LYS A 29 1.655 9.061 -22.180 1.00 34.23 N ATOM 0 H LYS A 29 -1.033 4.484 -24.471 1.00 21.42 H new ATOM 0 HA LYS A 29 -1.773 6.861 -25.864 1.00 24.43 H new ATOM 0 HB2 LYS A 29 -0.732 6.106 -23.336 1.00 11.33 H new ATOM 0 HB3 LYS A 29 0.492 7.134 -24.055 1.00 11.33 H new ATOM 0 HG2 LYS A 29 -1.393 8.810 -24.541 1.00 54.21 H new ATOM 0 HG3 LYS A 29 -2.411 7.822 -23.513 1.00 54.21 H new ATOM 0 HD2 LYS A 29 -1.563 9.451 -22.039 1.00 15.01 H new ATOM 0 HD3 LYS A 29 -0.555 8.053 -21.724 1.00 15.01 H new ATOM 0 HE2 LYS A 29 0.563 9.635 -23.902 1.00 12.52 H new ATOM 0 HE3 LYS A 29 0.286 10.646 -22.497 1.00 12.52 H new ATOM 0 HZ1 LYS A 29 2.476 9.645 -22.438 1.00 34.23 H new ATOM 0 HZ2 LYS A 29 1.539 9.065 -21.147 1.00 34.23 H new ATOM 0 HZ3 LYS A 29 1.807 8.086 -22.507 1.00 34.23 H new ATOM 448 N ALA A 30 1.071 5.485 -26.584 1.00 61.44 N ATOM 449 CA ALA A 30 2.229 5.549 -27.467 1.00 24.11 C ATOM 450 C ALA A 30 1.802 5.665 -28.926 1.00 61.21 C ATOM 451 O ALA A 30 2.527 6.216 -29.753 1.00 71.35 O ATOM 452 CB ALA A 30 3.112 4.325 -27.269 1.00 42.50 C ATOM 0 H ALA A 30 0.942 4.585 -26.122 1.00 61.44 H new ATOM 0 HA ALA A 30 2.800 6.441 -27.211 1.00 24.11 H new ATOM 0 HB1 ALA A 30 3.973 4.386 -27.935 1.00 42.50 H new ATOM 0 HB2 ALA A 30 3.455 4.287 -26.235 1.00 42.50 H new ATOM 0 HB3 ALA A 30 2.541 3.424 -27.495 1.00 42.50 H new ATOM 458 N GLY A 31 0.620 5.141 -29.235 1.00 72.33 N ATOM 459 CA GLY A 31 0.117 5.195 -30.596 1.00 1.24 C ATOM 460 C GLY A 31 0.962 4.386 -31.559 1.00 45.10 C ATOM 461 O GLY A 31 1.751 4.943 -32.323 1.00 25.23 O ATOM 0 H GLY A 31 0.002 4.680 -28.568 1.00 72.33 H new ATOM 0 HA2 GLY A 31 -0.908 4.824 -30.616 1.00 1.24 H new ATOM 0 HA3 GLY A 31 0.087 6.233 -30.928 1.00 1.24 H new ATOM 563 N LYS A 39 -0.399 -8.198 -24.012 1.00 71.25 N ATOM 564 CA LYS A 39 -0.433 -9.558 -23.486 1.00 43.34 C ATOM 565 C LYS A 39 0.559 -10.451 -24.224 1.00 64.20 C ATOM 566 O LYS A 39 1.333 -11.180 -23.603 1.00 70.52 O ATOM 567 CB LYS A 39 -1.844 -10.138 -23.605 1.00 41.22 C ATOM 568 CG LYS A 39 -2.034 -11.436 -22.841 1.00 31.34 C ATOM 569 CD LYS A 39 -3.331 -11.433 -22.049 1.00 53.44 C ATOM 570 CE LYS A 39 -3.295 -10.409 -20.925 1.00 32.34 C ATOM 571 NZ LYS A 39 -4.563 -9.633 -20.840 1.00 73.02 N ATOM 0 HA LYS A 39 -0.150 -9.521 -22.434 1.00 43.34 H new ATOM 0 HB2 LYS A 39 -2.562 -9.403 -23.240 1.00 41.22 H new ATOM 0 HB3 LYS A 39 -2.070 -10.309 -24.658 1.00 41.22 H new ATOM 0 HG2 LYS A 39 -2.035 -12.273 -23.539 1.00 31.34 H new ATOM 0 HG3 LYS A 39 -1.193 -11.587 -22.164 1.00 31.34 H new ATOM 0 HD2 LYS A 39 -4.165 -11.214 -22.716 1.00 53.44 H new ATOM 0 HD3 LYS A 39 -3.507 -12.425 -21.633 1.00 53.44 H new ATOM 0 HE2 LYS A 39 -3.116 -10.917 -19.977 1.00 32.34 H new ATOM 0 HE3 LYS A 39 -2.461 -9.725 -21.083 1.00 32.34 H new ATOM 0 HZ1 LYS A 39 -4.498 -8.946 -20.062 1.00 73.02 H new ATOM 0 HZ2 LYS A 39 -4.722 -9.128 -21.735 1.00 73.02 H new ATOM 0 HZ3 LYS A 39 -5.356 -10.282 -20.663 1.00 73.02 H new ATOM 585 N ASP A 40 0.532 -10.388 -25.551 1.00 23.24 N ATOM 586 CA ASP A 40 1.431 -11.190 -26.373 1.00 3.23 C ATOM 587 C ASP A 40 2.879 -10.746 -26.187 1.00 11.14 C ATOM 588 O ASP A 40 3.790 -11.571 -26.141 1.00 64.41 O ATOM 589 CB ASP A 40 1.038 -11.085 -27.847 1.00 63.01 C ATOM 590 CG ASP A 40 0.043 -12.153 -28.258 1.00 44.54 C ATOM 591 OD1 ASP A 40 -0.842 -12.484 -27.442 1.00 65.13 O ATOM 592 OD2 ASP A 40 0.150 -12.657 -29.396 1.00 23.00 O ATOM 0 H ASP A 40 -0.103 -9.790 -26.080 1.00 23.24 H new ATOM 0 HA ASP A 40 1.345 -12.229 -26.055 1.00 3.23 H new ATOM 0 HB2 ASP A 40 0.609 -10.101 -28.037 1.00 63.01 H new ATOM 0 HB3 ASP A 40 1.932 -11.168 -28.465 1.00 63.01 H new ATOM 597 N MET A 41 3.082 -9.437 -26.081 1.00 10.24 N ATOM 598 CA MET A 41 4.419 -8.883 -25.899 1.00 61.54 C ATOM 599 C MET A 41 5.002 -9.301 -24.553 1.00 43.11 C ATOM 600 O MET A 41 6.129 -9.789 -24.480 1.00 64.10 O ATOM 601 CB MET A 41 4.381 -7.357 -26.001 1.00 32.44 C ATOM 602 CG MET A 41 4.923 -6.822 -27.316 1.00 3.13 C ATOM 603 SD MET A 41 3.624 -6.204 -28.403 1.00 3.12 S ATOM 604 CE MET A 41 3.868 -7.239 -29.844 1.00 32.41 C ATOM 0 H MET A 41 2.338 -8.740 -26.118 1.00 10.24 H new ATOM 0 HA MET A 41 5.059 -9.276 -26.689 1.00 61.54 H new ATOM 0 HB2 MET A 41 3.352 -7.018 -25.877 1.00 32.44 H new ATOM 0 HB3 MET A 41 4.958 -6.932 -25.180 1.00 32.44 H new ATOM 0 HG2 MET A 41 5.633 -6.020 -27.113 1.00 3.13 H new ATOM 0 HG3 MET A 41 5.473 -7.613 -27.826 1.00 3.13 H new ATOM 0 HE1 MET A 41 3.137 -6.976 -30.609 1.00 32.41 H new ATOM 0 HE2 MET A 41 4.874 -7.086 -30.236 1.00 32.41 H new ATOM 0 HE3 MET A 41 3.742 -8.285 -29.566 1.00 32.41 H new ATOM 614 N GLU A 42 4.227 -9.105 -23.491 1.00 22.01 N ATOM 615 CA GLU A 42 4.669 -9.461 -22.148 1.00 1.34 C ATOM 616 C GLU A 42 5.059 -10.934 -22.075 1.00 75.43 C ATOM 617 O GLU A 42 6.146 -11.278 -21.612 1.00 31.11 O ATOM 618 CB GLU A 42 3.567 -9.162 -21.129 1.00 24.54 C ATOM 619 CG GLU A 42 4.089 -8.616 -19.810 1.00 43.24 C ATOM 620 CD GLU A 42 3.914 -9.592 -18.664 1.00 24.43 C ATOM 621 OE1 GLU A 42 4.024 -10.813 -18.901 1.00 65.22 O ATOM 622 OE2 GLU A 42 3.667 -9.135 -17.528 1.00 45.21 O ATOM 0 H GLU A 42 3.291 -8.702 -23.535 1.00 22.01 H new ATOM 0 HA GLU A 42 5.547 -8.860 -21.911 1.00 1.34 H new ATOM 0 HB2 GLU A 42 2.871 -8.443 -21.560 1.00 24.54 H new ATOM 0 HB3 GLU A 42 3.004 -10.075 -20.937 1.00 24.54 H new ATOM 0 HG2 GLU A 42 5.146 -8.371 -19.915 1.00 43.24 H new ATOM 0 HG3 GLU A 42 3.569 -7.688 -19.574 1.00 43.24 H new ATOM 629 N SER A 43 4.162 -11.801 -22.537 1.00 0.45 N ATOM 630 CA SER A 43 4.409 -13.238 -22.521 1.00 10.34 C ATOM 631 C SER A 43 5.752 -13.565 -23.165 1.00 64.22 C ATOM 632 O SER A 43 6.565 -14.296 -22.597 1.00 41.52 O ATOM 633 CB SER A 43 3.286 -13.978 -23.250 1.00 43.45 C ATOM 634 OG SER A 43 3.294 -13.678 -24.635 1.00 41.34 O ATOM 0 H SER A 43 3.258 -11.533 -22.927 1.00 0.45 H new ATOM 0 HA SER A 43 4.435 -13.566 -21.482 1.00 10.34 H new ATOM 0 HB2 SER A 43 3.401 -15.052 -23.107 1.00 43.45 H new ATOM 0 HB3 SER A 43 2.324 -13.700 -22.820 1.00 43.45 H new ATOM 0 HG SER A 43 3.480 -12.724 -24.762 1.00 41.34 H new ATOM 640 N HIS A 44 5.979 -13.020 -24.356 1.00 10.40 N ATOM 641 CA HIS A 44 7.224 -13.253 -25.079 1.00 40.53 C ATOM 642 C HIS A 44 8.428 -12.865 -24.226 1.00 64.24 C ATOM 643 O HIS A 44 9.422 -13.590 -24.171 1.00 72.21 O ATOM 644 CB HIS A 44 7.235 -12.461 -26.387 1.00 54.50 C ATOM 645 CG HIS A 44 8.416 -12.759 -27.259 1.00 35.15 C ATOM 646 ND1 HIS A 44 8.811 -14.041 -27.576 1.00 63.14 N ATOM 647 CD2 HIS A 44 9.288 -11.932 -27.882 1.00 34.35 C ATOM 648 CE1 HIS A 44 9.877 -13.990 -28.356 1.00 32.13 C ATOM 649 NE2 HIS A 44 10.186 -12.722 -28.556 1.00 51.24 N ATOM 0 H HIS A 44 5.317 -12.414 -24.841 1.00 10.40 H new ATOM 0 HA HIS A 44 7.289 -14.317 -25.307 1.00 40.53 H new ATOM 0 HB2 HIS A 44 6.321 -12.677 -26.941 1.00 54.50 H new ATOM 0 HB3 HIS A 44 7.223 -11.396 -26.157 1.00 54.50 H new ATOM 0 HD2 HIS A 44 9.279 -10.852 -27.854 1.00 34.35 H new ATOM 0 HE1 HIS A 44 10.405 -14.841 -28.761 1.00 32.13 H new ATOM 0 HE2 HIS A 44 10.966 -12.384 -29.120 1.00 51.24 H new ATOM 657 N VAL A 45 8.333 -11.717 -23.563 1.00 63.03 N ATOM 658 CA VAL A 45 9.415 -11.233 -22.713 1.00 75.41 C ATOM 659 C VAL A 45 9.699 -12.209 -21.577 1.00 34.31 C ATOM 660 O VAL A 45 10.847 -12.581 -21.335 1.00 44.45 O ATOM 661 CB VAL A 45 9.085 -9.851 -22.118 1.00 22.50 C ATOM 662 CG1 VAL A 45 10.304 -9.266 -21.421 1.00 50.23 C ATOM 663 CG2 VAL A 45 8.578 -8.912 -23.202 1.00 32.32 C ATOM 0 H VAL A 45 7.518 -11.105 -23.598 1.00 63.03 H new ATOM 0 HA VAL A 45 10.300 -11.147 -23.344 1.00 75.41 H new ATOM 0 HB VAL A 45 8.295 -9.972 -21.376 1.00 22.50 H new ATOM 0 HG11 VAL A 45 10.053 -8.290 -21.007 1.00 50.23 H new ATOM 0 HG12 VAL A 45 10.618 -9.932 -20.617 1.00 50.23 H new ATOM 0 HG13 VAL A 45 11.116 -9.157 -22.139 1.00 50.23 H new ATOM 0 HG21 VAL A 45 8.350 -7.940 -22.764 1.00 32.32 H new ATOM 0 HG22 VAL A 45 9.344 -8.794 -23.968 1.00 32.32 H new ATOM 0 HG23 VAL A 45 7.676 -9.328 -23.651 1.00 32.32 H new ATOM 673 N PHE A 46 8.644 -12.622 -20.881 1.00 61.34 N ATOM 674 CA PHE A 46 8.780 -13.556 -19.769 1.00 53.42 C ATOM 675 C PHE A 46 9.587 -14.782 -20.184 1.00 23.12 C ATOM 676 O PHE A 46 10.473 -15.232 -19.456 1.00 3.44 O ATOM 677 CB PHE A 46 7.400 -13.986 -19.266 1.00 3.45 C ATOM 678 CG PHE A 46 7.399 -14.436 -17.833 1.00 21.52 C ATOM 679 CD1 PHE A 46 7.718 -15.744 -17.504 1.00 1.01 C ATOM 680 CD2 PHE A 46 7.078 -13.553 -16.815 1.00 3.30 C ATOM 681 CE1 PHE A 46 7.718 -16.162 -16.186 1.00 63.14 C ATOM 682 CE2 PHE A 46 7.077 -13.965 -15.496 1.00 2.12 C ATOM 683 CZ PHE A 46 7.396 -15.271 -15.181 1.00 63.42 C ATOM 0 H PHE A 46 7.686 -12.325 -21.067 1.00 61.34 H new ATOM 0 HA PHE A 46 9.312 -13.049 -18.964 1.00 53.42 H new ATOM 0 HB2 PHE A 46 6.705 -13.153 -19.378 1.00 3.45 H new ATOM 0 HB3 PHE A 46 7.029 -14.797 -19.894 1.00 3.45 H new ATOM 0 HD1 PHE A 46 7.970 -16.445 -18.286 1.00 1.01 H new ATOM 0 HD2 PHE A 46 6.826 -12.531 -17.055 1.00 3.30 H new ATOM 0 HE1 PHE A 46 7.969 -17.184 -15.943 1.00 63.14 H new ATOM 0 HE2 PHE A 46 6.827 -13.266 -14.712 1.00 2.12 H new ATOM 0 HZ PHE A 46 7.394 -15.595 -14.151 1.00 63.42 H new ATOM 693 N LEU A 47 9.275 -15.319 -21.358 1.00 32.42 N ATOM 694 CA LEU A 47 9.970 -16.495 -21.871 1.00 2.23 C ATOM 695 C LEU A 47 11.331 -16.115 -22.444 1.00 45.25 C ATOM 696 O LEU A 47 12.215 -16.960 -22.589 1.00 33.31 O ATOM 697 CB LEU A 47 9.126 -17.183 -22.944 1.00 73.34 C ATOM 698 CG LEU A 47 8.062 -18.159 -22.439 1.00 5.14 C ATOM 699 CD1 LEU A 47 6.925 -18.276 -23.441 1.00 41.24 C ATOM 700 CD2 LEU A 47 8.678 -19.524 -22.166 1.00 13.34 C ATOM 0 H LEU A 47 8.545 -14.959 -21.973 1.00 32.42 H new ATOM 0 HA LEU A 47 10.125 -17.186 -21.042 1.00 2.23 H new ATOM 0 HB2 LEU A 47 8.632 -16.414 -23.538 1.00 73.34 H new ATOM 0 HB3 LEU A 47 9.796 -17.722 -23.614 1.00 73.34 H new ATOM 0 HG LEU A 47 7.656 -17.772 -21.505 1.00 5.14 H new ATOM 0 HD11 LEU A 47 6.178 -18.975 -23.064 1.00 41.24 H new ATOM 0 HD12 LEU A 47 6.466 -17.298 -23.587 1.00 41.24 H new ATOM 0 HD13 LEU A 47 7.314 -18.639 -24.392 1.00 41.24 H new ATOM 0 HD21 LEU A 47 7.907 -20.206 -21.807 1.00 13.34 H new ATOM 0 HD22 LEU A 47 9.112 -19.918 -23.085 1.00 13.34 H new ATOM 0 HD23 LEU A 47 9.457 -19.427 -21.410 1.00 13.34 H new ATOM 712 N LYS A 48 11.495 -14.837 -22.768 1.00 43.43 N ATOM 713 CA LYS A 48 12.750 -14.342 -23.323 1.00 32.00 C ATOM 714 C LYS A 48 13.715 -13.941 -22.212 1.00 64.52 C ATOM 715 O LYS A 48 14.887 -13.663 -22.466 1.00 20.51 O ATOM 716 CB LYS A 48 12.489 -13.147 -24.242 1.00 52.50 C ATOM 717 CG LYS A 48 13.637 -12.846 -25.190 1.00 1.34 C ATOM 718 CD LYS A 48 14.404 -11.606 -24.760 1.00 61.24 C ATOM 719 CE LYS A 48 15.450 -11.212 -25.793 1.00 34.54 C ATOM 720 NZ LYS A 48 14.984 -10.090 -26.653 1.00 41.21 N ATOM 0 H LYS A 48 10.774 -14.124 -22.656 1.00 43.43 H new ATOM 0 HA LYS A 48 13.204 -15.146 -23.903 1.00 32.00 H new ATOM 0 HB2 LYS A 48 11.588 -13.338 -24.825 1.00 52.50 H new ATOM 0 HB3 LYS A 48 12.293 -12.266 -23.631 1.00 52.50 H new ATOM 0 HG2 LYS A 48 14.314 -13.700 -25.226 1.00 1.34 H new ATOM 0 HG3 LYS A 48 13.249 -12.704 -26.199 1.00 1.34 H new ATOM 0 HD2 LYS A 48 13.709 -10.780 -24.611 1.00 61.24 H new ATOM 0 HD3 LYS A 48 14.889 -11.791 -23.802 1.00 61.24 H new ATOM 0 HE2 LYS A 48 16.370 -10.923 -25.286 1.00 34.54 H new ATOM 0 HE3 LYS A 48 15.687 -12.074 -26.417 1.00 34.54 H new ATOM 0 HZ1 LYS A 48 15.724 -9.851 -27.343 1.00 41.21 H new ATOM 0 HZ2 LYS A 48 14.120 -10.374 -27.157 1.00 41.21 H new ATOM 0 HZ3 LYS A 48 14.782 -9.259 -26.061 1.00 41.21 H new ATOM 734 N ALA A 49 13.216 -13.916 -20.981 1.00 11.41 N ATOM 735 CA ALA A 49 14.036 -13.553 -19.832 1.00 14.35 C ATOM 736 C ALA A 49 14.492 -14.792 -19.069 1.00 73.23 C ATOM 737 O ALA A 49 13.809 -15.817 -19.064 1.00 64.02 O ATOM 738 CB ALA A 49 13.267 -12.617 -18.910 1.00 4.01 C ATOM 0 H ALA A 49 12.248 -14.143 -20.754 1.00 11.41 H new ATOM 0 HA ALA A 49 14.923 -13.037 -20.199 1.00 14.35 H new ATOM 0 HB1 ALA A 49 13.891 -12.354 -18.056 1.00 4.01 H new ATOM 0 HB2 ALA A 49 12.996 -11.712 -19.454 1.00 4.01 H new ATOM 0 HB3 ALA A 49 12.363 -13.114 -18.559 1.00 4.01 H new ATOM 744 N LYS A 50 15.650 -14.693 -18.426 1.00 42.44 N ATOM 745 CA LYS A 50 16.199 -15.805 -17.660 1.00 35.13 C ATOM 746 C LYS A 50 16.044 -15.562 -16.162 1.00 23.02 C ATOM 747 O LYS A 50 16.017 -16.504 -15.369 1.00 4.45 O ATOM 748 CB LYS A 50 17.675 -16.010 -18.004 1.00 64.25 C ATOM 749 CG LYS A 50 17.920 -17.147 -18.982 1.00 54.42 C ATOM 750 CD LYS A 50 17.756 -16.689 -20.422 1.00 3.53 C ATOM 751 CE LYS A 50 17.199 -17.798 -21.300 1.00 62.30 C ATOM 752 NZ LYS A 50 18.282 -18.617 -21.913 1.00 53.43 N ATOM 0 H LYS A 50 16.228 -13.852 -18.420 1.00 42.44 H new ATOM 0 HA LYS A 50 15.643 -16.705 -17.924 1.00 35.13 H new ATOM 0 HB2 LYS A 50 18.073 -15.087 -18.426 1.00 64.25 H new ATOM 0 HB3 LYS A 50 18.229 -16.206 -17.086 1.00 64.25 H new ATOM 0 HG2 LYS A 50 18.925 -17.542 -18.837 1.00 54.42 H new ATOM 0 HG3 LYS A 50 17.225 -17.961 -18.777 1.00 54.42 H new ATOM 0 HD2 LYS A 50 17.090 -15.827 -20.457 1.00 3.53 H new ATOM 0 HD3 LYS A 50 18.720 -16.363 -20.813 1.00 3.53 H new ATOM 0 HE2 LYS A 50 16.550 -18.441 -20.705 1.00 62.30 H new ATOM 0 HE3 LYS A 50 16.583 -17.363 -22.087 1.00 62.30 H new ATOM 0 HZ1 LYS A 50 17.861 -19.362 -22.504 1.00 53.43 H new ATOM 0 HZ2 LYS A 50 18.887 -18.009 -22.501 1.00 53.43 H new ATOM 0 HZ3 LYS A 50 18.855 -19.053 -21.162 1.00 53.43 H new ATOM 766 N THR A 51 15.942 -14.293 -15.780 1.00 53.42 N ATOM 767 CA THR A 51 15.790 -13.926 -14.378 1.00 14.01 C ATOM 768 C THR A 51 14.880 -12.713 -14.222 1.00 40.33 C ATOM 769 O THR A 51 14.517 -12.067 -15.206 1.00 35.42 O ATOM 770 CB THR A 51 17.151 -13.619 -13.727 1.00 24.34 C ATOM 771 OG1 THR A 51 17.716 -12.438 -14.306 1.00 4.24 O ATOM 772 CG2 THR A 51 18.111 -14.786 -13.904 1.00 62.12 C ATOM 0 H THR A 51 15.962 -13.501 -16.423 1.00 53.42 H new ATOM 0 HA THR A 51 15.339 -14.782 -13.875 1.00 14.01 H new ATOM 0 HB THR A 51 16.991 -13.459 -12.661 1.00 24.34 H new ATOM 0 HG1 THR A 51 18.581 -12.249 -13.885 1.00 4.24 H new ATOM 0 HG21 THR A 51 19.066 -14.546 -13.436 1.00 62.12 H new ATOM 0 HG22 THR A 51 17.691 -15.677 -13.436 1.00 62.12 H new ATOM 0 HG23 THR A 51 18.265 -14.973 -14.967 1.00 62.12 H new ATOM 780 N ARG A 52 14.516 -12.407 -12.981 1.00 41.02 N ATOM 781 CA ARG A 52 13.648 -11.271 -12.698 1.00 0.45 C ATOM 782 C ARG A 52 14.248 -9.978 -13.243 1.00 64.22 C ATOM 783 O ARG A 52 13.533 -9.011 -13.505 1.00 34.33 O ATOM 784 CB ARG A 52 13.417 -11.142 -11.191 1.00 10.32 C ATOM 785 CG ARG A 52 14.635 -10.648 -10.428 1.00 24.22 C ATOM 786 CD ARG A 52 14.461 -10.823 -8.927 1.00 44.22 C ATOM 787 NE ARG A 52 14.885 -12.146 -8.477 1.00 44.13 N ATOM 788 CZ ARG A 52 15.030 -12.476 -7.199 1.00 10.03 C ATOM 789 NH1 ARG A 52 14.785 -11.584 -6.249 1.00 24.13 N ATOM 790 NH2 ARG A 52 15.420 -13.701 -6.868 1.00 55.44 N ATOM 0 H ARG A 52 14.809 -12.930 -12.156 1.00 41.02 H new ATOM 0 HA ARG A 52 12.692 -11.445 -13.193 1.00 0.45 H new ATOM 0 HB2 ARG A 52 12.587 -10.457 -11.017 1.00 10.32 H new ATOM 0 HB3 ARG A 52 13.119 -12.112 -10.793 1.00 10.32 H new ATOM 0 HG2 ARG A 52 15.519 -11.193 -10.759 1.00 24.22 H new ATOM 0 HG3 ARG A 52 14.806 -9.596 -10.655 1.00 24.22 H new ATOM 0 HD2 ARG A 52 15.038 -10.060 -8.404 1.00 44.22 H new ATOM 0 HD3 ARG A 52 13.415 -10.668 -8.663 1.00 44.22 H new ATOM 0 HE ARG A 52 15.081 -12.856 -9.183 1.00 44.13 H new ATOM 0 HH11 ARG A 52 14.484 -10.642 -6.499 1.00 24.13 H new ATOM 0 HH12 ARG A 52 14.897 -11.840 -5.268 1.00 24.13 H new ATOM 0 HH21 ARG A 52 15.609 -14.390 -7.596 1.00 55.44 H new ATOM 0 HH22 ARG A 52 15.531 -13.953 -5.886 1.00 55.44 H new ATOM 804 N ASP A 53 15.566 -9.969 -13.412 1.00 21.40 N ATOM 805 CA ASP A 53 16.263 -8.796 -13.927 1.00 21.51 C ATOM 806 C ASP A 53 16.122 -8.703 -15.443 1.00 44.10 C ATOM 807 O ASP A 53 15.728 -7.666 -15.976 1.00 32.40 O ATOM 808 CB ASP A 53 17.742 -8.846 -13.542 1.00 4.14 C ATOM 809 CG ASP A 53 18.276 -7.492 -13.117 1.00 14.31 C ATOM 810 OD1 ASP A 53 18.181 -7.168 -11.915 1.00 15.41 O ATOM 811 OD2 ASP A 53 18.787 -6.756 -13.987 1.00 1.42 O ATOM 0 H ASP A 53 16.173 -10.761 -13.200 1.00 21.40 H new ATOM 0 HA ASP A 53 15.810 -7.910 -13.483 1.00 21.51 H new ATOM 0 HB2 ASP A 53 17.879 -9.559 -12.729 1.00 4.14 H new ATOM 0 HB3 ASP A 53 18.323 -9.213 -14.388 1.00 4.14 H new ATOM 816 N GLU A 54 16.449 -9.793 -16.131 1.00 42.51 N ATOM 817 CA GLU A 54 16.361 -9.831 -17.586 1.00 73.50 C ATOM 818 C GLU A 54 14.982 -9.380 -18.060 1.00 3.54 C ATOM 819 O GLU A 54 14.857 -8.694 -19.075 1.00 35.13 O ATOM 820 CB GLU A 54 16.651 -11.244 -18.099 1.00 52.51 C ATOM 821 CG GLU A 54 16.829 -11.319 -19.606 1.00 54.13 C ATOM 822 CD GLU A 54 17.528 -12.590 -20.048 1.00 52.33 C ATOM 823 OE1 GLU A 54 18.472 -13.020 -19.352 1.00 53.44 O ATOM 824 OE2 GLU A 54 17.132 -13.154 -21.089 1.00 71.04 O ATOM 0 H GLU A 54 16.777 -10.660 -15.705 1.00 42.51 H new ATOM 0 HA GLU A 54 17.107 -9.145 -17.988 1.00 73.50 H new ATOM 0 HB2 GLU A 54 17.553 -11.619 -17.616 1.00 52.51 H new ATOM 0 HB3 GLU A 54 15.834 -11.903 -17.805 1.00 52.51 H new ATOM 0 HG2 GLU A 54 15.853 -11.260 -20.087 1.00 54.13 H new ATOM 0 HG3 GLU A 54 17.404 -10.456 -19.944 1.00 54.13 H new ATOM 831 N TYR A 55 13.952 -9.769 -17.318 1.00 14.13 N ATOM 832 CA TYR A 55 12.582 -9.407 -17.662 1.00 72.14 C ATOM 833 C TYR A 55 12.300 -7.949 -17.315 1.00 13.41 C ATOM 834 O TYR A 55 11.999 -7.136 -18.191 1.00 31.14 O ATOM 835 CB TYR A 55 11.593 -10.317 -16.933 1.00 34.44 C ATOM 836 CG TYR A 55 10.154 -9.868 -17.053 1.00 10.23 C ATOM 837 CD1 TYR A 55 9.433 -10.084 -18.221 1.00 24.21 C ATOM 838 CD2 TYR A 55 9.516 -9.226 -15.999 1.00 13.22 C ATOM 839 CE1 TYR A 55 8.119 -9.675 -18.336 1.00 11.44 C ATOM 840 CE2 TYR A 55 8.201 -8.814 -16.104 1.00 62.21 C ATOM 841 CZ TYR A 55 7.507 -9.041 -17.274 1.00 42.44 C ATOM 842 OH TYR A 55 6.198 -8.631 -17.384 1.00 2.33 O ATOM 0 H TYR A 55 14.039 -10.335 -16.474 1.00 14.13 H new ATOM 0 HA TYR A 55 12.459 -9.536 -18.737 1.00 72.14 H new ATOM 0 HB2 TYR A 55 11.683 -11.328 -17.329 1.00 34.44 H new ATOM 0 HB3 TYR A 55 11.864 -10.362 -15.878 1.00 34.44 H new ATOM 0 HD1 TYR A 55 9.909 -10.581 -19.054 1.00 24.21 H new ATOM 0 HD2 TYR A 55 10.057 -9.046 -15.082 1.00 13.22 H new ATOM 0 HE1 TYR A 55 7.574 -9.850 -19.252 1.00 11.44 H new ATOM 0 HE2 TYR A 55 7.720 -8.317 -15.275 1.00 62.21 H new ATOM 0 HH TYR A 55 5.844 -8.424 -16.494 1.00 2.33 H new ATOM 852 N LEU A 56 12.400 -7.623 -16.031 1.00 35.42 N ATOM 853 CA LEU A 56 12.156 -6.263 -15.565 1.00 43.50 C ATOM 854 C LEU A 56 12.924 -5.252 -16.411 1.00 4.01 C ATOM 855 O LEU A 56 12.461 -4.133 -16.633 1.00 31.44 O ATOM 856 CB LEU A 56 12.559 -6.126 -14.096 1.00 10.33 C ATOM 857 CG LEU A 56 11.499 -6.527 -13.069 1.00 63.21 C ATOM 858 CD1 LEU A 56 12.156 -7.049 -11.801 1.00 33.34 C ATOM 859 CD2 LEU A 56 10.588 -5.350 -12.755 1.00 3.45 C ATOM 0 H LEU A 56 12.649 -8.283 -15.294 1.00 35.42 H new ATOM 0 HA LEU A 56 11.090 -6.057 -15.664 1.00 43.50 H new ATOM 0 HB2 LEU A 56 13.449 -6.732 -13.926 1.00 10.33 H new ATOM 0 HB3 LEU A 56 12.840 -5.089 -13.912 1.00 10.33 H new ATOM 0 HG LEU A 56 10.892 -7.326 -13.495 1.00 63.21 H new ATOM 0 HD11 LEU A 56 11.387 -7.330 -11.082 1.00 33.34 H new ATOM 0 HD12 LEU A 56 12.765 -7.921 -12.039 1.00 33.34 H new ATOM 0 HD13 LEU A 56 12.788 -6.271 -11.372 1.00 33.34 H new ATOM 0 HD21 LEU A 56 9.840 -5.654 -12.023 1.00 3.45 H new ATOM 0 HD22 LEU A 56 11.180 -4.530 -12.350 1.00 3.45 H new ATOM 0 HD23 LEU A 56 10.090 -5.022 -13.667 1.00 3.45 H new ATOM 871 N SER A 57 14.100 -5.655 -16.882 1.00 41.33 N ATOM 872 CA SER A 57 14.934 -4.784 -17.703 1.00 15.11 C ATOM 873 C SER A 57 14.327 -4.601 -19.091 1.00 32.42 C ATOM 874 O SER A 57 14.085 -3.477 -19.533 1.00 33.34 O ATOM 875 CB SER A 57 16.346 -5.359 -17.823 1.00 31.51 C ATOM 876 OG SER A 57 17.260 -4.377 -18.277 1.00 3.42 O ATOM 0 H SER A 57 14.497 -6.579 -16.709 1.00 41.33 H new ATOM 0 HA SER A 57 14.987 -3.810 -17.217 1.00 15.11 H new ATOM 0 HB2 SER A 57 16.670 -5.741 -16.855 1.00 31.51 H new ATOM 0 HB3 SER A 57 16.341 -6.202 -18.513 1.00 31.51 H new ATOM 0 HG SER A 57 18.156 -4.769 -18.344 1.00 3.42 H new ATOM 882 N LEU A 58 14.084 -5.714 -19.774 1.00 74.30 N ATOM 883 CA LEU A 58 13.505 -5.679 -21.113 1.00 31.33 C ATOM 884 C LEU A 58 12.162 -4.956 -21.107 1.00 31.24 C ATOM 885 O LEU A 58 11.900 -4.104 -21.956 1.00 32.14 O ATOM 886 CB LEU A 58 13.330 -7.100 -21.651 1.00 75.32 C ATOM 887 CG LEU A 58 14.609 -7.816 -22.086 1.00 30.13 C ATOM 888 CD1 LEU A 58 14.283 -9.178 -22.680 1.00 44.51 C ATOM 889 CD2 LEU A 58 15.382 -6.967 -23.084 1.00 62.22 C ATOM 0 H LEU A 58 14.279 -6.652 -19.423 1.00 74.30 H new ATOM 0 HA LEU A 58 14.188 -5.132 -21.763 1.00 31.33 H new ATOM 0 HB2 LEU A 58 12.845 -7.701 -20.882 1.00 75.32 H new ATOM 0 HB3 LEU A 58 12.651 -7.063 -22.503 1.00 75.32 H new ATOM 0 HG LEU A 58 15.235 -7.967 -21.207 1.00 30.13 H new ATOM 0 HD11 LEU A 58 15.206 -9.673 -22.984 1.00 44.51 H new ATOM 0 HD12 LEU A 58 13.773 -9.788 -21.934 1.00 44.51 H new ATOM 0 HD13 LEU A 58 13.636 -9.051 -23.548 1.00 44.51 H new ATOM 0 HD21 LEU A 58 16.289 -7.492 -23.383 1.00 62.22 H new ATOM 0 HD22 LEU A 58 14.763 -6.784 -23.962 1.00 62.22 H new ATOM 0 HD23 LEU A 58 15.648 -6.016 -22.623 1.00 62.22 H new ATOM 901 N VAL A 59 11.315 -5.301 -20.142 1.00 54.50 N ATOM 902 CA VAL A 59 10.000 -4.682 -20.023 1.00 34.02 C ATOM 903 C VAL A 59 10.112 -3.164 -19.937 1.00 70.12 C ATOM 904 O VAL A 59 9.548 -2.442 -20.759 1.00 64.44 O ATOM 905 CB VAL A 59 9.246 -5.201 -18.784 1.00 13.31 C ATOM 906 CG1 VAL A 59 7.836 -4.630 -18.739 1.00 23.23 C ATOM 907 CG2 VAL A 59 9.214 -6.722 -18.778 1.00 5.43 C ATOM 0 H VAL A 59 11.516 -6.005 -19.432 1.00 54.50 H new ATOM 0 HA VAL A 59 9.441 -4.952 -20.919 1.00 34.02 H new ATOM 0 HB VAL A 59 9.776 -4.868 -17.892 1.00 13.31 H new ATOM 0 HG11 VAL A 59 7.319 -5.008 -17.857 1.00 23.23 H new ATOM 0 HG12 VAL A 59 7.885 -3.542 -18.693 1.00 23.23 H new ATOM 0 HG13 VAL A 59 7.293 -4.931 -19.635 1.00 23.23 H new ATOM 0 HG21 VAL A 59 8.678 -7.071 -17.896 1.00 5.43 H new ATOM 0 HG22 VAL A 59 8.708 -7.079 -19.675 1.00 5.43 H new ATOM 0 HG23 VAL A 59 10.233 -7.107 -18.759 1.00 5.43 H new ATOM 917 N ALA A 60 10.844 -2.686 -18.936 1.00 43.05 N ATOM 918 CA ALA A 60 11.033 -1.253 -18.745 1.00 21.44 C ATOM 919 C ALA A 60 11.490 -0.582 -20.035 1.00 73.14 C ATOM 920 O ALA A 60 10.865 0.368 -20.506 1.00 40.53 O ATOM 921 CB ALA A 60 12.038 -0.998 -17.631 1.00 35.04 C ATOM 0 H ALA A 60 11.316 -3.270 -18.245 1.00 43.05 H new ATOM 0 HA ALA A 60 10.074 -0.820 -18.462 1.00 21.44 H new ATOM 0 HB1 ALA A 60 12.170 0.076 -17.499 1.00 35.04 H new ATOM 0 HB2 ALA A 60 11.671 -1.436 -16.703 1.00 35.04 H new ATOM 0 HB3 ALA A 60 12.994 -1.451 -17.893 1.00 35.04 H new ATOM 927 N ARG A 61 12.583 -1.082 -20.602 1.00 72.13 N ATOM 928 CA ARG A 61 13.124 -0.529 -21.838 1.00 11.11 C ATOM 929 C ARG A 61 12.034 -0.398 -22.898 1.00 62.41 C ATOM 930 O ARG A 61 11.947 0.615 -23.593 1.00 11.13 O ATOM 931 CB ARG A 61 14.258 -1.411 -22.363 1.00 21.00 C ATOM 932 CG ARG A 61 15.501 -0.632 -22.762 1.00 13.10 C ATOM 933 CD ARG A 61 16.265 -1.333 -23.874 1.00 75.13 C ATOM 934 NE ARG A 61 17.696 -1.407 -23.593 1.00 73.12 N ATOM 935 CZ ARG A 61 18.509 -0.358 -23.640 1.00 41.11 C ATOM 936 NH1 ARG A 61 18.035 0.839 -23.955 1.00 54.41 N ATOM 937 NH2 ARG A 61 19.800 -0.505 -23.371 1.00 61.22 N ATOM 0 H ARG A 61 13.111 -1.869 -20.225 1.00 72.13 H new ATOM 0 HA ARG A 61 13.517 0.464 -21.621 1.00 11.11 H new ATOM 0 HB2 ARG A 61 14.526 -2.138 -21.597 1.00 21.00 H new ATOM 0 HB3 ARG A 61 13.900 -1.974 -23.225 1.00 21.00 H new ATOM 0 HG2 ARG A 61 15.216 0.368 -23.089 1.00 13.10 H new ATOM 0 HG3 ARG A 61 16.149 -0.510 -21.894 1.00 13.10 H new ATOM 0 HD2 ARG A 61 15.869 -2.340 -24.007 1.00 75.13 H new ATOM 0 HD3 ARG A 61 16.107 -0.802 -24.813 1.00 75.13 H new ATOM 0 HE ARG A 61 18.093 -2.314 -23.347 1.00 73.12 H new ATOM 0 HH11 ARG A 61 17.043 0.956 -24.162 1.00 54.41 H new ATOM 0 HH12 ARG A 61 18.662 1.643 -23.990 1.00 54.41 H new ATOM 0 HH21 ARG A 61 20.169 -1.424 -23.128 1.00 61.22 H new ATOM 0 HH22 ARG A 61 20.424 0.301 -23.407 1.00 61.22 H new ATOM 951 N LEU A 62 11.206 -1.430 -23.018 1.00 31.04 N ATOM 952 CA LEU A 62 10.122 -1.432 -23.994 1.00 15.54 C ATOM 953 C LEU A 62 9.153 -0.283 -23.733 1.00 12.51 C ATOM 954 O LEU A 62 8.851 0.503 -24.632 1.00 13.35 O ATOM 955 CB LEU A 62 9.373 -2.765 -23.951 1.00 53.31 C ATOM 956 CG LEU A 62 8.161 -2.884 -24.876 1.00 51.42 C ATOM 957 CD1 LEU A 62 8.219 -4.181 -25.668 1.00 42.41 C ATOM 958 CD2 LEU A 62 6.869 -2.803 -24.076 1.00 1.30 C ATOM 0 H LEU A 62 11.265 -2.276 -22.451 1.00 31.04 H new ATOM 0 HA LEU A 62 10.557 -1.299 -24.984 1.00 15.54 H new ATOM 0 HB2 LEU A 62 10.074 -3.561 -24.200 1.00 53.31 H new ATOM 0 HB3 LEU A 62 9.042 -2.940 -22.927 1.00 53.31 H new ATOM 0 HG LEU A 62 8.182 -2.052 -25.579 1.00 51.42 H new ATOM 0 HD11 LEU A 62 7.348 -4.248 -26.321 1.00 42.41 H new ATOM 0 HD12 LEU A 62 9.127 -4.199 -26.271 1.00 42.41 H new ATOM 0 HD13 LEU A 62 8.223 -5.027 -24.981 1.00 42.41 H new ATOM 0 HD21 LEU A 62 6.017 -2.889 -24.751 1.00 1.30 H new ATOM 0 HD22 LEU A 62 6.840 -3.614 -23.349 1.00 1.30 H new ATOM 0 HD23 LEU A 62 6.823 -1.847 -23.555 1.00 1.30 H new ATOM 970 N ILE A 63 8.671 -0.190 -22.498 1.00 62.10 N ATOM 971 CA ILE A 63 7.740 0.865 -22.119 1.00 33.11 C ATOM 972 C ILE A 63 8.349 2.244 -22.347 1.00 12.13 C ATOM 973 O ILE A 63 7.746 3.100 -22.995 1.00 1.54 O ATOM 974 CB ILE A 63 7.318 0.740 -20.643 1.00 31.21 C ATOM 975 CG1 ILE A 63 6.324 -0.410 -20.470 1.00 35.13 C ATOM 976 CG2 ILE A 63 6.715 2.047 -20.152 1.00 13.32 C ATOM 977 CD1 ILE A 63 5.918 -0.647 -19.032 1.00 24.23 C ATOM 0 H ILE A 63 8.910 -0.833 -21.743 1.00 62.10 H new ATOM 0 HA ILE A 63 6.859 0.751 -22.751 1.00 33.11 H new ATOM 0 HB ILE A 63 8.203 0.524 -20.044 1.00 31.21 H new ATOM 0 HG12 ILE A 63 5.432 -0.201 -21.061 1.00 35.13 H new ATOM 0 HG13 ILE A 63 6.764 -1.323 -20.870 1.00 35.13 H new ATOM 0 HG21 ILE A 63 6.422 1.943 -19.107 1.00 13.32 H new ATOM 0 HG22 ILE A 63 7.452 2.845 -20.244 1.00 13.32 H new ATOM 0 HG23 ILE A 63 5.839 2.291 -20.752 1.00 13.32 H new ATOM 0 HD11 ILE A 63 5.212 -1.476 -18.985 1.00 24.23 H new ATOM 0 HD12 ILE A 63 6.801 -0.888 -18.440 1.00 24.23 H new ATOM 0 HD13 ILE A 63 5.448 0.252 -18.634 1.00 24.23 H new ATOM 989 N ILE A 64 9.547 2.451 -21.811 1.00 42.35 N ATOM 990 CA ILE A 64 10.239 3.726 -21.959 1.00 62.41 C ATOM 991 C ILE A 64 10.345 4.127 -23.426 1.00 62.15 C ATOM 992 O ILE A 64 10.106 5.281 -23.785 1.00 31.53 O ATOM 993 CB ILE A 64 11.653 3.673 -21.350 1.00 34.43 C ATOM 994 CG1 ILE A 64 11.571 3.514 -19.830 1.00 52.20 C ATOM 995 CG2 ILE A 64 12.435 4.925 -21.716 1.00 14.22 C ATOM 996 CD1 ILE A 64 12.473 2.429 -19.286 1.00 63.01 C ATOM 0 H ILE A 64 10.058 1.753 -21.271 1.00 42.35 H new ATOM 0 HA ILE A 64 9.649 4.469 -21.423 1.00 62.41 H new ATOM 0 HB ILE A 64 12.177 2.809 -21.759 1.00 34.43 H new ATOM 0 HG12 ILE A 64 11.832 4.462 -19.359 1.00 52.20 H new ATOM 0 HG13 ILE A 64 10.541 3.292 -19.551 1.00 52.20 H new ATOM 0 HG21 ILE A 64 13.432 4.872 -21.278 1.00 14.22 H new ATOM 0 HG22 ILE A 64 12.518 4.998 -22.800 1.00 14.22 H new ATOM 0 HG23 ILE A 64 11.916 5.803 -21.332 1.00 14.22 H new ATOM 0 HD11 ILE A 64 12.363 2.373 -18.203 1.00 63.01 H new ATOM 0 HD12 ILE A 64 12.198 1.472 -19.729 1.00 63.01 H new ATOM 0 HD13 ILE A 64 13.509 2.659 -19.534 1.00 63.01 H new ATOM 1008 N HIS A 65 10.704 3.166 -24.273 1.00 11.44 N ATOM 1009 CA HIS A 65 10.839 3.419 -25.703 1.00 22.22 C ATOM 1010 C HIS A 65 9.520 3.904 -26.296 1.00 71.11 C ATOM 1011 O HIS A 65 9.502 4.770 -27.171 1.00 1.22 O ATOM 1012 CB HIS A 65 11.301 2.152 -26.424 1.00 40.31 C ATOM 1013 CG HIS A 65 12.349 2.404 -27.464 1.00 24.42 C ATOM 1014 ND1 HIS A 65 13.701 2.314 -27.206 1.00 42.25 N ATOM 1015 CD2 HIS A 65 12.238 2.742 -28.770 1.00 21.33 C ATOM 1016 CE1 HIS A 65 14.376 2.588 -28.309 1.00 10.13 C ATOM 1017 NE2 HIS A 65 13.511 2.850 -29.272 1.00 44.52 N ATOM 0 H HIS A 65 10.906 2.206 -23.993 1.00 11.44 H new ATOM 0 HA HIS A 65 11.587 4.200 -25.840 1.00 22.22 H new ATOM 0 HB2 HIS A 65 11.691 1.448 -25.690 1.00 40.31 H new ATOM 0 HB3 HIS A 65 10.440 1.677 -26.895 1.00 40.31 H new ATOM 0 HD2 HIS A 65 11.319 2.898 -29.315 1.00 21.33 H new ATOM 0 HE1 HIS A 65 15.452 2.596 -28.406 1.00 10.13 H new ATOM 0 HE2 HIS A 65 13.750 3.093 -30.233 1.00 44.52 H new ATOM 1025 N PHE A 66 8.417 3.339 -25.815 1.00 43.30 N ATOM 1026 CA PHE A 66 7.093 3.713 -26.299 1.00 44.10 C ATOM 1027 C PHE A 66 6.784 5.170 -25.967 1.00 21.11 C ATOM 1028 O PHE A 66 6.268 5.912 -26.802 1.00 53.04 O ATOM 1029 CB PHE A 66 6.027 2.801 -25.688 1.00 5.44 C ATOM 1030 CG PHE A 66 5.769 1.559 -26.491 1.00 20.23 C ATOM 1031 CD1 PHE A 66 5.163 1.635 -27.734 1.00 43.35 C ATOM 1032 CD2 PHE A 66 6.131 0.314 -26.002 1.00 4.14 C ATOM 1033 CE1 PHE A 66 4.924 0.494 -28.476 1.00 64.33 C ATOM 1034 CE2 PHE A 66 5.895 -0.831 -26.739 1.00 44.30 C ATOM 1035 CZ PHE A 66 5.290 -0.741 -27.977 1.00 41.03 C ATOM 0 H PHE A 66 8.414 2.621 -25.091 1.00 43.30 H new ATOM 0 HA PHE A 66 7.083 3.596 -27.383 1.00 44.10 H new ATOM 0 HB2 PHE A 66 6.337 2.516 -24.683 1.00 5.44 H new ATOM 0 HB3 PHE A 66 5.096 3.359 -25.588 1.00 5.44 H new ATOM 0 HD1 PHE A 66 4.874 2.598 -28.128 1.00 43.35 H new ATOM 0 HD2 PHE A 66 6.603 0.238 -25.034 1.00 4.14 H new ATOM 0 HE1 PHE A 66 4.452 0.568 -29.445 1.00 64.33 H new ATOM 0 HE2 PHE A 66 6.183 -1.795 -26.347 1.00 44.30 H new ATOM 0 HZ PHE A 66 5.103 -1.635 -28.554 1.00 41.03 H new