USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=7 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= -1.81! C(o=-1.8!,f=-2.2!) 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= 0.0285 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) 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 120:sc= -0.321 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 8.330 -13.804 -8.880 1.00 71.40 N ATOM 101 CA TRP A 10 8.004 -13.025 -10.069 1.00 11.21 C ATOM 102 C TRP A 10 7.071 -13.802 -10.991 1.00 33.24 C ATOM 103 O TRP A 10 6.642 -13.294 -12.027 1.00 21.22 O ATOM 104 CB TRP A 10 9.281 -12.643 -10.820 1.00 33.15 C ATOM 105 CG TRP A 10 9.880 -13.781 -11.588 1.00 65.25 C ATOM 106 CD1 TRP A 10 10.398 -14.936 -11.074 1.00 11.52 C ATOM 107 CD2 TRP A 10 10.026 -13.873 -13.010 1.00 2.52 C ATOM 108 NE1 TRP A 10 10.857 -15.739 -12.090 1.00 33.03 N ATOM 109 CE2 TRP A 10 10.639 -15.110 -13.287 1.00 65.10 C ATOM 110 CE3 TRP A 10 9.697 -13.031 -14.075 1.00 53.34 C ATOM 111 CZ2 TRP A 10 10.930 -15.523 -14.585 1.00 15.42 C ATOM 112 CZ3 TRP A 10 9.986 -13.441 -15.363 1.00 35.42 C ATOM 113 CH2 TRP A 10 10.596 -14.678 -15.609 1.00 21.41 C ATOM 0 HA TRP A 10 7.494 -12.117 -9.748 1.00 11.21 H new ATOM 0 HB2 TRP A 10 9.059 -11.827 -11.507 1.00 33.15 H new ATOM 0 HB3 TRP A 10 10.015 -12.269 -10.107 1.00 33.15 H new ATOM 0 HD1 TRP A 10 10.440 -15.182 -10.023 1.00 11.52 H new ATOM 0 HE1 TRP A 10 11.290 -16.655 -11.972 1.00 33.03 H new ATOM 0 HE3 TRP A 10 9.225 -12.076 -13.895 1.00 53.34 H new ATOM 0 HZ2 TRP A 10 11.402 -16.475 -14.777 1.00 15.42 H new ATOM 0 HZ3 TRP A 10 9.737 -12.797 -16.194 1.00 35.42 H new ATOM 0 HH2 TRP A 10 10.807 -14.971 -16.627 1.00 21.41 H new ATOM 124 N ARG A 11 6.760 -15.036 -10.607 1.00 33.01 N ATOM 125 CA ARG A 11 5.878 -15.883 -11.400 1.00 74.33 C ATOM 126 C ARG A 11 4.425 -15.715 -10.964 1.00 21.41 C ATOM 127 O ARG A 11 3.558 -16.505 -11.339 1.00 45.35 O ATOM 128 CB ARG A 11 6.293 -17.350 -11.272 1.00 44.04 C ATOM 129 CG ARG A 11 7.153 -17.842 -12.425 1.00 70.13 C ATOM 130 CD ARG A 11 7.837 -19.158 -12.088 1.00 50.32 C ATOM 131 NE ARG A 11 7.053 -20.310 -12.525 1.00 11.13 N ATOM 132 CZ ARG A 11 7.424 -21.570 -12.325 1.00 41.42 C ATOM 133 NH1 ARG A 11 8.562 -21.838 -11.699 1.00 54.21 N ATOM 134 NH2 ARG A 11 6.656 -22.564 -12.752 1.00 24.30 N ATOM 0 H ARG A 11 7.106 -15.471 -9.752 1.00 33.01 H new ATOM 0 HA ARG A 11 5.964 -15.577 -12.443 1.00 74.33 H new ATOM 0 HB2 ARG A 11 6.840 -17.484 -10.339 1.00 44.04 H new ATOM 0 HB3 ARG A 11 5.397 -17.968 -11.208 1.00 44.04 H new ATOM 0 HG2 ARG A 11 6.534 -17.969 -13.313 1.00 70.13 H new ATOM 0 HG3 ARG A 11 7.905 -17.091 -12.666 1.00 70.13 H new ATOM 0 HD2 ARG A 11 8.819 -19.188 -12.560 1.00 50.32 H new ATOM 0 HD3 ARG A 11 7.999 -19.217 -11.012 1.00 50.32 H new ATOM 0 HE ARG A 11 6.172 -20.138 -13.010 1.00 11.13 H new ATOM 0 HH11 ARG A 11 9.155 -21.076 -11.370 1.00 54.21 H new ATOM 0 HH12 ARG A 11 8.845 -22.806 -11.547 1.00 54.21 H new ATOM 0 HH21 ARG A 11 5.780 -22.361 -13.234 1.00 24.30 H new ATOM 0 HH22 ARG A 11 6.941 -23.531 -12.598 1.00 24.30 H new ATOM 148 N SER A 12 4.167 -14.682 -10.168 1.00 63.24 N ATOM 149 CA SER A 12 2.821 -14.413 -9.677 1.00 70.11 C ATOM 150 C SER A 12 2.023 -13.604 -10.695 1.00 0.21 C ATOM 151 O SER A 12 2.566 -12.735 -11.379 1.00 34.20 O ATOM 152 CB SER A 12 2.882 -13.662 -8.346 1.00 12.41 C ATOM 153 OG SER A 12 1.782 -12.778 -8.208 1.00 64.13 O ATOM 0 H SER A 12 4.873 -14.018 -9.850 1.00 63.24 H new ATOM 0 HA SER A 12 2.319 -15.368 -9.524 1.00 70.11 H new ATOM 0 HB2 SER A 12 2.885 -14.376 -7.522 1.00 12.41 H new ATOM 0 HB3 SER A 12 3.814 -13.100 -8.284 1.00 12.41 H new ATOM 0 HG SER A 12 1.843 -12.311 -7.349 1.00 64.13 H new ATOM 159 N THR A 13 0.729 -13.895 -10.790 1.00 63.11 N ATOM 160 CA THR A 13 -0.145 -13.197 -11.724 1.00 43.22 C ATOM 161 C THR A 13 -0.106 -11.691 -11.493 1.00 4.43 C ATOM 162 O THR A 13 0.067 -10.913 -12.431 1.00 30.30 O ATOM 163 CB THR A 13 -1.600 -13.686 -11.604 1.00 15.40 C ATOM 164 OG1 THR A 13 -1.625 -15.099 -11.374 1.00 14.31 O ATOM 165 CG2 THR A 13 -2.387 -13.358 -12.864 1.00 51.11 C ATOM 0 H THR A 13 0.263 -14.610 -10.231 1.00 63.11 H new ATOM 0 HA THR A 13 0.223 -13.417 -12.726 1.00 43.22 H new ATOM 0 HB THR A 13 -2.064 -13.173 -10.761 1.00 15.40 H new ATOM 0 HG1 THR A 13 -2.554 -15.402 -11.297 1.00 14.31 H new ATOM 0 HG21 THR A 13 -3.412 -13.713 -12.756 1.00 51.11 H new ATOM 0 HG22 THR A 13 -2.391 -12.279 -13.020 1.00 51.11 H new ATOM 0 HG23 THR A 13 -1.922 -13.846 -13.721 1.00 51.11 H new ATOM 173 N ALA A 14 -0.266 -11.285 -10.237 1.00 72.23 N ATOM 174 CA ALA A 14 -0.246 -9.872 -9.883 1.00 14.44 C ATOM 175 C ALA A 14 1.014 -9.192 -10.407 1.00 53.42 C ATOM 176 O ALA A 14 0.975 -8.040 -10.842 1.00 72.41 O ATOM 177 CB ALA A 14 -0.349 -9.704 -8.374 1.00 35.52 C ATOM 0 H ALA A 14 -0.411 -11.915 -9.448 1.00 72.23 H new ATOM 0 HA ALA A 14 -1.107 -9.394 -10.351 1.00 14.44 H new ATOM 0 HB1 ALA A 14 -0.333 -8.643 -8.124 1.00 35.52 H new ATOM 0 HB2 ALA A 14 -1.281 -10.146 -8.022 1.00 35.52 H new ATOM 0 HB3 ALA A 14 0.493 -10.203 -7.894 1.00 35.52 H new ATOM 183 N PHE A 15 2.130 -9.910 -10.363 1.00 25.42 N ATOM 184 CA PHE A 15 3.403 -9.375 -10.832 1.00 62.33 C ATOM 185 C PHE A 15 3.362 -9.114 -12.335 1.00 62.22 C ATOM 186 O PHE A 15 3.385 -7.965 -12.777 1.00 74.42 O ATOM 187 CB PHE A 15 4.541 -10.344 -10.502 1.00 73.04 C ATOM 188 CG PHE A 15 5.879 -9.675 -10.372 1.00 41.13 C ATOM 189 CD1 PHE A 15 6.420 -8.966 -11.433 1.00 11.44 C ATOM 190 CD2 PHE A 15 6.597 -9.756 -9.190 1.00 12.32 C ATOM 191 CE1 PHE A 15 7.651 -8.348 -11.316 1.00 61.42 C ATOM 192 CE2 PHE A 15 7.828 -9.140 -9.067 1.00 62.24 C ATOM 193 CZ PHE A 15 8.357 -8.437 -10.132 1.00 54.22 C ATOM 0 H PHE A 15 2.179 -10.865 -10.007 1.00 25.42 H new ATOM 0 HA PHE A 15 3.581 -8.429 -10.321 1.00 62.33 H new ATOM 0 HB2 PHE A 15 4.310 -10.860 -9.570 1.00 73.04 H new ATOM 0 HB3 PHE A 15 4.598 -11.104 -11.281 1.00 73.04 H new ATOM 0 HD1 PHE A 15 5.874 -8.896 -12.362 1.00 11.44 H new ATOM 0 HD2 PHE A 15 6.190 -10.307 -8.355 1.00 12.32 H new ATOM 0 HE1 PHE A 15 8.060 -7.796 -12.149 1.00 61.42 H new ATOM 0 HE2 PHE A 15 8.376 -9.208 -8.139 1.00 62.24 H new ATOM 0 HZ PHE A 15 9.320 -7.958 -10.039 1.00 54.22 H new ATOM 203 N ARG A 16 3.303 -10.189 -13.115 1.00 13.21 N ATOM 204 CA ARG A 16 3.261 -10.077 -14.568 1.00 14.11 C ATOM 205 C ARG A 16 2.116 -9.170 -15.010 1.00 43.44 C ATOM 206 O ARG A 16 2.261 -8.385 -15.948 1.00 20.34 O ATOM 207 CB ARG A 16 3.104 -11.460 -15.203 1.00 12.12 C ATOM 208 CG ARG A 16 3.344 -11.472 -16.704 1.00 3.14 C ATOM 209 CD ARG A 16 3.028 -12.831 -17.308 1.00 23.25 C ATOM 210 NE ARG A 16 2.413 -12.714 -18.627 1.00 31.31 N ATOM 211 CZ ARG A 16 1.126 -12.447 -18.816 1.00 54.13 C ATOM 212 NH1 ARG A 16 0.322 -12.269 -17.777 1.00 21.23 N ATOM 213 NH2 ARG A 16 0.640 -12.356 -20.048 1.00 32.23 N ATOM 0 H ARG A 16 3.283 -11.147 -12.765 1.00 13.21 H new ATOM 0 HA ARG A 16 4.201 -9.636 -14.901 1.00 14.11 H new ATOM 0 HB2 ARG A 16 3.800 -12.150 -14.727 1.00 12.12 H new ATOM 0 HB3 ARG A 16 2.099 -11.831 -15.001 1.00 12.12 H new ATOM 0 HG2 ARG A 16 2.726 -10.709 -17.178 1.00 3.14 H new ATOM 0 HG3 ARG A 16 4.383 -11.214 -16.909 1.00 3.14 H new ATOM 0 HD2 ARG A 16 3.945 -13.415 -17.386 1.00 23.25 H new ATOM 0 HD3 ARG A 16 2.358 -13.376 -16.643 1.00 23.25 H new ATOM 0 HE ARG A 16 3.004 -12.844 -19.448 1.00 31.31 H new ATOM 0 HH11 ARG A 16 0.691 -12.337 -16.829 1.00 21.23 H new ATOM 0 HH12 ARG A 16 -0.666 -12.064 -17.926 1.00 21.23 H new ATOM 0 HH21 ARG A 16 1.255 -12.491 -20.850 1.00 32.23 H new ATOM 0 HH22 ARG A 16 -0.349 -12.151 -20.192 1.00 32.23 H new ATOM 227 N GLN A 17 0.980 -9.284 -14.330 1.00 4.33 N ATOM 228 CA GLN A 17 -0.188 -8.474 -14.654 1.00 34.51 C ATOM 229 C GLN A 17 0.156 -6.989 -14.635 1.00 12.20 C ATOM 230 O GLN A 17 0.050 -6.303 -15.652 1.00 12.21 O ATOM 231 CB GLN A 17 -1.322 -8.760 -13.668 1.00 32.14 C ATOM 232 CG GLN A 17 -2.596 -7.984 -13.963 1.00 65.00 C ATOM 233 CD GLN A 17 -2.544 -6.559 -13.447 1.00 64.45 C ATOM 234 OE1 GLN A 17 -2.232 -6.320 -12.280 1.00 61.24 O ATOM 235 NE2 GLN A 17 -2.849 -5.603 -14.317 1.00 33.41 N ATOM 0 H GLN A 17 0.844 -9.929 -13.552 1.00 4.33 H new ATOM 0 HA GLN A 17 -0.515 -8.739 -15.660 1.00 34.51 H new ATOM 0 HB2 GLN A 17 -1.545 -9.827 -13.683 1.00 32.14 H new ATOM 0 HB3 GLN A 17 -0.985 -8.519 -12.660 1.00 32.14 H new ATOM 0 HG2 GLN A 17 -2.768 -7.971 -15.039 1.00 65.00 H new ATOM 0 HG3 GLN A 17 -3.444 -8.499 -13.511 1.00 65.00 H new ATOM 0 HE21 GLN A 17 -3.102 -5.847 -15.275 1.00 33.41 H new ATOM 0 HE22 GLN A 17 -2.830 -4.625 -14.028 1.00 33.41 H new ATOM 244 N LYS A 18 0.568 -6.497 -13.472 1.00 1.04 N ATOM 245 CA LYS A 18 0.929 -5.093 -13.319 1.00 1.41 C ATOM 246 C LYS A 18 1.923 -4.666 -14.395 1.00 21.34 C ATOM 247 O LYS A 18 1.740 -3.641 -15.053 1.00 31.25 O ATOM 248 CB LYS A 18 1.526 -4.846 -11.931 1.00 70.05 C ATOM 249 CG LYS A 18 0.508 -4.377 -10.906 1.00 43.01 C ATOM 250 CD LYS A 18 0.990 -4.628 -9.487 1.00 60.11 C ATOM 251 CE LYS A 18 -0.175 -4.798 -8.525 1.00 35.52 C ATOM 252 NZ LYS A 18 0.225 -4.531 -7.116 1.00 10.53 N ATOM 0 H LYS A 18 0.660 -7.051 -12.620 1.00 1.04 H new ATOM 0 HA LYS A 18 0.023 -4.497 -13.429 1.00 1.41 H new ATOM 0 HB2 LYS A 18 1.990 -5.766 -11.575 1.00 70.05 H new ATOM 0 HB3 LYS A 18 2.317 -4.101 -12.012 1.00 70.05 H new ATOM 0 HG2 LYS A 18 0.316 -3.313 -11.043 1.00 43.01 H new ATOM 0 HG3 LYS A 18 -0.437 -4.895 -11.067 1.00 43.01 H new ATOM 0 HD2 LYS A 18 1.614 -5.522 -9.466 1.00 60.11 H new ATOM 0 HD3 LYS A 18 1.614 -3.796 -9.161 1.00 60.11 H new ATOM 0 HE2 LYS A 18 -0.981 -4.121 -8.808 1.00 35.52 H new ATOM 0 HE3 LYS A 18 -0.567 -5.812 -8.605 1.00 35.52 H new ATOM 0 HZ1 LYS A 18 -0.597 -4.658 -6.492 1.00 10.53 H new ATOM 0 HZ2 LYS A 18 0.977 -5.193 -6.837 1.00 10.53 H new ATOM 0 HZ3 LYS A 18 0.575 -3.555 -7.034 1.00 10.53 H new ATOM 266 N LEU A 19 2.975 -5.459 -14.570 1.00 35.15 N ATOM 267 CA LEU A 19 3.997 -5.165 -15.567 1.00 43.42 C ATOM 268 C LEU A 19 3.389 -5.086 -16.964 1.00 30.12 C ATOM 269 O LEU A 19 3.733 -4.207 -17.754 1.00 2.11 O ATOM 270 CB LEU A 19 5.092 -6.232 -15.535 1.00 20.53 C ATOM 271 CG LEU A 19 6.187 -6.039 -14.485 1.00 31.51 C ATOM 272 CD1 LEU A 19 7.403 -5.364 -15.100 1.00 13.23 C ATOM 273 CD2 LEU A 19 5.662 -5.229 -13.309 1.00 55.21 C ATOM 0 H LEU A 19 3.142 -6.311 -14.034 1.00 35.15 H new ATOM 0 HA LEU A 19 4.435 -4.196 -15.326 1.00 43.42 H new ATOM 0 HB2 LEU A 19 4.622 -7.201 -15.367 1.00 20.53 H new ATOM 0 HB3 LEU A 19 5.562 -6.271 -16.518 1.00 20.53 H new ATOM 0 HG LEU A 19 6.489 -7.020 -14.118 1.00 31.51 H new ATOM 0 HD11 LEU A 19 8.172 -5.235 -14.338 1.00 13.23 H new ATOM 0 HD12 LEU A 19 7.793 -5.983 -15.908 1.00 13.23 H new ATOM 0 HD13 LEU A 19 7.117 -4.389 -15.496 1.00 13.23 H new ATOM 0 HD21 LEU A 19 6.455 -5.102 -12.572 1.00 55.21 H new ATOM 0 HD22 LEU A 19 5.332 -4.251 -13.659 1.00 55.21 H new ATOM 0 HD23 LEU A 19 4.823 -5.753 -12.852 1.00 55.21 H new ATOM 285 N VAL A 20 2.481 -6.010 -17.261 1.00 72.20 N ATOM 286 CA VAL A 20 1.822 -6.044 -18.561 1.00 15.10 C ATOM 287 C VAL A 20 1.100 -4.732 -18.845 1.00 55.42 C ATOM 288 O VAL A 20 1.206 -4.177 -19.939 1.00 12.00 O ATOM 289 CB VAL A 20 0.810 -7.203 -18.648 1.00 5.43 C ATOM 290 CG1 VAL A 20 -0.212 -6.939 -19.743 1.00 4.22 C ATOM 291 CG2 VAL A 20 1.531 -8.521 -18.886 1.00 31.13 C ATOM 0 H VAL A 20 2.185 -6.745 -16.619 1.00 72.20 H new ATOM 0 HA VAL A 20 2.602 -6.196 -19.307 1.00 15.10 H new ATOM 0 HB VAL A 20 0.279 -7.271 -17.699 1.00 5.43 H new ATOM 0 HG11 VAL A 20 -0.918 -7.768 -19.789 1.00 4.22 H new ATOM 0 HG12 VAL A 20 -0.750 -6.016 -19.524 1.00 4.22 H new ATOM 0 HG13 VAL A 20 0.298 -6.843 -20.701 1.00 4.22 H new ATOM 0 HG21 VAL A 20 0.802 -9.329 -18.945 1.00 31.13 H new ATOM 0 HG22 VAL A 20 2.089 -8.467 -19.821 1.00 31.13 H new ATOM 0 HG23 VAL A 20 2.220 -8.713 -18.063 1.00 31.13 H new ATOM 301 N SER A 21 0.365 -4.240 -17.853 1.00 1.44 N ATOM 302 CA SER A 21 -0.378 -2.993 -17.997 1.00 20.24 C ATOM 303 C SER A 21 0.560 -1.837 -18.328 1.00 42.41 C ATOM 304 O SER A 21 0.250 -0.995 -19.171 1.00 24.10 O ATOM 305 CB SER A 21 -1.152 -2.685 -16.713 1.00 71.14 C ATOM 306 OG SER A 21 -2.383 -3.386 -16.680 1.00 31.13 O ATOM 0 H SER A 21 0.268 -4.686 -16.941 1.00 1.44 H new ATOM 0 HA SER A 21 -1.084 -3.112 -18.819 1.00 20.24 H new ATOM 0 HB2 SER A 21 -0.550 -2.960 -15.847 1.00 71.14 H new ATOM 0 HB3 SER A 21 -1.338 -1.613 -16.645 1.00 71.14 H new ATOM 0 HG SER A 21 -2.858 -3.174 -15.849 1.00 31.13 H new ATOM 312 N GLN A 22 1.708 -1.803 -17.658 1.00 73.23 N ATOM 313 CA GLN A 22 2.691 -0.750 -17.881 1.00 1.11 C ATOM 314 C GLN A 22 3.123 -0.709 -19.343 1.00 2.30 C ATOM 315 O GLN A 22 3.064 0.338 -19.988 1.00 44.52 O ATOM 316 CB GLN A 22 3.910 -0.963 -16.982 1.00 64.33 C ATOM 317 CG GLN A 22 3.590 -0.904 -15.497 1.00 52.35 C ATOM 318 CD GLN A 22 2.635 0.222 -15.151 1.00 72.34 C ATOM 319 OE1 GLN A 22 2.943 1.397 -15.352 1.00 23.22 O ATOM 320 NE2 GLN A 22 1.467 -0.133 -14.629 1.00 13.54 N ATOM 0 H GLN A 22 1.980 -2.492 -16.957 1.00 73.23 H new ATOM 0 HA GLN A 22 2.227 0.204 -17.632 1.00 1.11 H new ATOM 0 HB2 GLN A 22 4.355 -1.931 -17.211 1.00 64.33 H new ATOM 0 HB3 GLN A 22 4.659 -0.206 -17.214 1.00 64.33 H new ATOM 0 HG2 GLN A 22 3.155 -1.853 -15.185 1.00 52.35 H new ATOM 0 HG3 GLN A 22 4.515 -0.777 -14.934 1.00 52.35 H new ATOM 0 HE21 GLN A 22 1.254 -1.119 -14.480 1.00 13.54 H new ATOM 0 HE22 GLN A 22 0.783 0.580 -14.377 1.00 13.54 H new ATOM 329 N ILE A 23 3.557 -1.854 -19.859 1.00 3.41 N ATOM 330 CA ILE A 23 3.998 -1.948 -21.245 1.00 5.30 C ATOM 331 C ILE A 23 2.885 -1.542 -22.205 1.00 22.31 C ATOM 332 O ILE A 23 3.140 -0.934 -23.244 1.00 74.40 O ATOM 333 CB ILE A 23 4.466 -3.374 -21.591 1.00 52.34 C ATOM 334 CG1 ILE A 23 5.747 -3.714 -20.827 1.00 51.21 C ATOM 335 CG2 ILE A 23 4.685 -3.510 -23.091 1.00 2.52 C ATOM 336 CD1 ILE A 23 6.187 -5.152 -20.994 1.00 54.52 C ATOM 0 H ILE A 23 3.613 -2.729 -19.338 1.00 3.41 H new ATOM 0 HA ILE A 23 4.838 -1.262 -21.356 1.00 5.30 H new ATOM 0 HB ILE A 23 3.690 -4.078 -21.291 1.00 52.34 H new ATOM 0 HG12 ILE A 23 6.548 -3.056 -21.165 1.00 51.21 H new ATOM 0 HG13 ILE A 23 5.593 -3.510 -19.767 1.00 51.21 H new ATOM 0 HG21 ILE A 23 5.016 -4.523 -23.320 1.00 2.52 H new ATOM 0 HG22 ILE A 23 3.751 -3.306 -23.615 1.00 2.52 H new ATOM 0 HG23 ILE A 23 5.445 -2.799 -23.414 1.00 2.52 H new ATOM 0 HD11 ILE A 23 7.101 -5.321 -20.425 1.00 54.52 H new ATOM 0 HD12 ILE A 23 5.404 -5.817 -20.629 1.00 54.52 H new ATOM 0 HD13 ILE A 23 6.373 -5.355 -22.049 1.00 54.52 H new ATOM 348 N GLU A 24 1.650 -1.882 -21.848 1.00 65.10 N ATOM 349 CA GLU A 24 0.498 -1.552 -22.678 1.00 70.22 C ATOM 350 C GLU A 24 0.215 -0.053 -22.646 1.00 5.13 C ATOM 351 O GLU A 24 -0.256 0.522 -23.627 1.00 10.11 O ATOM 352 CB GLU A 24 -0.736 -2.325 -22.207 1.00 62.02 C ATOM 353 CG GLU A 24 -1.561 -2.906 -23.344 1.00 4.25 C ATOM 354 CD GLU A 24 -2.890 -2.198 -23.520 1.00 71.22 C ATOM 355 OE1 GLU A 24 -3.632 -2.074 -22.523 1.00 52.23 O ATOM 356 OE2 GLU A 24 -3.189 -1.769 -24.654 1.00 64.52 O ATOM 0 H GLU A 24 1.422 -2.385 -20.990 1.00 65.10 H new ATOM 0 HA GLU A 24 0.728 -1.839 -23.704 1.00 70.22 H new ATOM 0 HB2 GLU A 24 -0.418 -3.134 -21.549 1.00 62.02 H new ATOM 0 HB3 GLU A 24 -1.366 -1.661 -21.615 1.00 62.02 H new ATOM 0 HG2 GLU A 24 -0.992 -2.840 -24.272 1.00 4.25 H new ATOM 0 HG3 GLU A 24 -1.740 -3.964 -23.155 1.00 4.25 H new ATOM 363 N ASP A 25 0.507 0.573 -21.511 1.00 14.40 N ATOM 364 CA ASP A 25 0.285 2.006 -21.350 1.00 32.35 C ATOM 365 C ASP A 25 1.309 2.807 -22.146 1.00 42.45 C ATOM 366 O ASP A 25 0.952 3.704 -22.910 1.00 3.23 O ATOM 367 CB ASP A 25 0.356 2.391 -19.871 1.00 73.10 C ATOM 368 CG ASP A 25 -0.221 3.767 -19.603 1.00 73.00 C ATOM 369 OD1 ASP A 25 -1.387 4.005 -19.982 1.00 1.22 O ATOM 370 OD2 ASP A 25 0.493 4.606 -19.015 1.00 42.11 O ATOM 0 H ASP A 25 0.898 0.111 -20.690 1.00 14.40 H new ATOM 0 HA ASP A 25 -0.709 2.240 -21.732 1.00 32.35 H new ATOM 0 HB2 ASP A 25 -0.185 1.652 -19.280 1.00 73.10 H new ATOM 0 HB3 ASP A 25 1.395 2.365 -19.541 1.00 73.10 H new ATOM 375 N ALA A 26 2.584 2.478 -21.963 1.00 14.25 N ATOM 376 CA ALA A 26 3.659 3.167 -22.665 1.00 24.32 C ATOM 377 C ALA A 26 3.481 3.066 -24.176 1.00 25.41 C ATOM 378 O ALA A 26 3.658 4.046 -24.898 1.00 13.41 O ATOM 379 CB ALA A 26 5.009 2.598 -22.251 1.00 74.10 C ATOM 0 H ALA A 26 2.897 1.738 -21.334 1.00 14.25 H new ATOM 0 HA ALA A 26 3.622 4.221 -22.391 1.00 24.32 H new ATOM 0 HB1 ALA A 26 5.803 3.122 -22.783 1.00 74.10 H new ATOM 0 HB2 ALA A 26 5.145 2.728 -21.177 1.00 74.10 H new ATOM 0 HB3 ALA A 26 5.047 1.537 -22.496 1.00 74.10 H new ATOM 385 N MET A 27 3.132 1.873 -24.647 1.00 41.25 N ATOM 386 CA MET A 27 2.930 1.645 -26.074 1.00 1.04 C ATOM 387 C MET A 27 1.775 2.490 -26.601 1.00 72.10 C ATOM 388 O MET A 27 1.881 3.113 -27.658 1.00 20.24 O ATOM 389 CB MET A 27 2.658 0.164 -26.341 1.00 74.43 C ATOM 390 CG MET A 27 3.697 -0.494 -27.235 1.00 12.31 C ATOM 391 SD MET A 27 3.350 -2.237 -27.537 1.00 24.32 S ATOM 392 CE MET A 27 2.765 -2.178 -29.228 1.00 75.04 C ATOM 0 H MET A 27 2.983 1.050 -24.063 1.00 41.25 H new ATOM 0 HA MET A 27 3.840 1.940 -26.597 1.00 1.04 H new ATOM 0 HB2 MET A 27 2.620 -0.367 -25.390 1.00 74.43 H new ATOM 0 HB3 MET A 27 1.676 0.061 -26.803 1.00 74.43 H new ATOM 0 HG2 MET A 27 3.738 0.035 -28.187 1.00 12.31 H new ATOM 0 HG3 MET A 27 4.680 -0.398 -26.774 1.00 12.31 H new ATOM 0 HE1 MET A 27 2.509 -3.184 -29.560 1.00 75.04 H new ATOM 0 HE2 MET A 27 1.882 -1.542 -29.286 1.00 75.04 H new ATOM 0 HE3 MET A 27 3.547 -1.772 -29.870 1.00 75.04 H new ATOM 402 N ARG A 28 0.672 2.506 -25.859 1.00 4.21 N ATOM 403 CA ARG A 28 -0.503 3.274 -26.253 1.00 62.43 C ATOM 404 C ARG A 28 -0.128 4.719 -26.566 1.00 53.33 C ATOM 405 O ARG A 28 -0.436 5.233 -27.642 1.00 11.10 O ATOM 406 CB ARG A 28 -1.557 3.237 -25.146 1.00 13.14 C ATOM 407 CG ARG A 28 -2.696 4.222 -25.356 1.00 5.34 C ATOM 408 CD ARG A 28 -4.050 3.546 -25.218 1.00 75.45 C ATOM 409 NE ARG A 28 -5.146 4.511 -25.210 1.00 11.23 N ATOM 410 CZ ARG A 28 -6.420 4.179 -25.389 1.00 43.22 C ATOM 411 NH1 ARG A 28 -6.756 2.913 -25.590 1.00 31.50 N ATOM 412 NH2 ARG A 28 -7.360 5.115 -25.368 1.00 0.24 N ATOM 0 H ARG A 28 0.568 1.996 -24.982 1.00 4.21 H new ATOM 0 HA ARG A 28 -0.917 2.821 -27.154 1.00 62.43 H new ATOM 0 HB2 ARG A 28 -1.967 2.229 -25.080 1.00 13.14 H new ATOM 0 HB3 ARG A 28 -1.076 3.449 -24.191 1.00 13.14 H new ATOM 0 HG2 ARG A 28 -2.617 5.031 -24.630 1.00 5.34 H new ATOM 0 HG3 ARG A 28 -2.612 4.672 -26.345 1.00 5.34 H new ATOM 0 HD2 ARG A 28 -4.191 2.845 -26.041 1.00 75.45 H new ATOM 0 HD3 ARG A 28 -4.072 2.965 -24.296 1.00 75.45 H new ATOM 0 HE ARG A 28 -4.921 5.494 -25.059 1.00 11.23 H new ATOM 0 HH11 ARG A 28 -6.036 2.191 -25.608 1.00 31.50 H new ATOM 0 HH12 ARG A 28 -7.735 2.661 -25.727 1.00 31.50 H new ATOM 0 HH21 ARG A 28 -7.105 6.091 -25.214 1.00 0.24 H new ATOM 0 HH22 ARG A 28 -8.338 4.859 -25.506 1.00 0.24 H new ATOM 426 N LYS A 29 0.538 5.371 -25.619 1.00 34.11 N ATOM 427 CA LYS A 29 0.955 6.757 -25.792 1.00 65.02 C ATOM 428 C LYS A 29 2.136 6.853 -26.753 1.00 50.23 C ATOM 429 O LYS A 29 2.364 7.894 -27.368 1.00 43.43 O ATOM 430 CB LYS A 29 1.332 7.370 -24.442 1.00 4.23 C ATOM 431 CG LYS A 29 0.143 7.603 -23.526 1.00 70.21 C ATOM 432 CD LYS A 29 0.359 8.809 -22.627 1.00 32.40 C ATOM 433 CE LYS A 29 -0.899 9.657 -22.521 1.00 51.22 C ATOM 434 NZ LYS A 29 -0.782 10.693 -21.458 1.00 23.24 N ATOM 0 H LYS A 29 0.801 4.961 -24.723 1.00 34.11 H new ATOM 0 HA LYS A 29 0.118 7.312 -26.215 1.00 65.02 H new ATOM 0 HB2 LYS A 29 2.043 6.714 -23.940 1.00 4.23 H new ATOM 0 HB3 LYS A 29 1.840 8.319 -24.613 1.00 4.23 H new ATOM 0 HG2 LYS A 29 -0.755 7.751 -24.125 1.00 70.21 H new ATOM 0 HG3 LYS A 29 -0.025 6.717 -22.914 1.00 70.21 H new ATOM 0 HD2 LYS A 29 0.659 8.475 -21.634 1.00 32.40 H new ATOM 0 HD3 LYS A 29 1.176 9.415 -23.019 1.00 32.40 H new ATOM 0 HE2 LYS A 29 -1.093 10.140 -23.479 1.00 51.22 H new ATOM 0 HE3 LYS A 29 -1.753 9.014 -22.309 1.00 51.22 H new ATOM 0 HZ1 LYS A 29 -1.660 11.250 -21.418 1.00 23.24 H new ATOM 0 HZ2 LYS A 29 -0.622 10.232 -20.540 1.00 23.24 H new ATOM 0 HZ3 LYS A 29 0.018 11.322 -21.673 1.00 23.24 H new ATOM 448 N ALA A 30 2.882 5.761 -26.878 1.00 70.54 N ATOM 449 CA ALA A 30 4.036 5.721 -27.767 1.00 44.45 C ATOM 450 C ALA A 30 3.604 5.736 -29.230 1.00 0.33 C ATOM 451 O ALA A 30 4.374 6.115 -30.111 1.00 63.31 O ATOM 452 CB ALA A 30 4.884 4.491 -27.478 1.00 52.22 C ATOM 0 H ALA A 30 2.708 4.891 -26.374 1.00 70.54 H new ATOM 0 HA ALA A 30 4.635 6.613 -27.583 1.00 44.45 H new ATOM 0 HB1 ALA A 30 5.742 4.475 -28.150 1.00 52.22 H new ATOM 0 HB2 ALA A 30 5.232 4.523 -26.446 1.00 52.22 H new ATOM 0 HB3 ALA A 30 4.286 3.593 -27.631 1.00 52.22 H new ATOM 458 N GLY A 31 2.366 5.321 -29.480 1.00 51.04 N ATOM 459 CA GLY A 31 1.853 5.294 -30.838 1.00 22.02 C ATOM 460 C GLY A 31 2.764 4.540 -31.787 1.00 34.25 C ATOM 461 O GLY A 31 3.533 5.145 -32.533 1.00 21.02 O ATOM 0 H GLY A 31 1.709 5.003 -28.767 1.00 51.04 H new ATOM 0 HA2 GLY A 31 0.866 4.831 -30.841 1.00 22.02 H new ATOM 0 HA3 GLY A 31 1.726 6.316 -31.196 1.00 22.02 H new ATOM 563 N LYS A 39 -0.045 -8.124 -24.598 1.00 10.40 N ATOM 564 CA LYS A 39 -0.141 -9.413 -23.923 1.00 44.32 C ATOM 565 C LYS A 39 0.853 -10.410 -24.512 1.00 14.35 C ATOM 566 O LYS A 39 1.480 -11.179 -23.783 1.00 11.30 O ATOM 567 CB LYS A 39 -1.563 -9.966 -24.036 1.00 62.41 C ATOM 568 CG LYS A 39 -2.008 -10.753 -22.815 1.00 62.35 C ATOM 569 CD LYS A 39 -2.403 -9.833 -21.672 1.00 64.34 C ATOM 570 CE LYS A 39 -3.775 -10.188 -21.120 1.00 43.11 C ATOM 571 NZ LYS A 39 -4.869 -9.763 -22.037 1.00 65.10 N ATOM 0 HA LYS A 39 0.101 -9.264 -22.871 1.00 44.32 H new ATOM 0 HB2 LYS A 39 -2.254 -9.138 -24.196 1.00 62.41 H new ATOM 0 HB3 LYS A 39 -1.625 -10.608 -24.915 1.00 62.41 H new ATOM 0 HG2 LYS A 39 -2.852 -11.390 -23.079 1.00 62.35 H new ATOM 0 HG3 LYS A 39 -1.202 -11.411 -22.491 1.00 62.35 H new ATOM 0 HD2 LYS A 39 -1.661 -9.900 -20.876 1.00 64.34 H new ATOM 0 HD3 LYS A 39 -2.405 -8.800 -22.019 1.00 64.34 H new ATOM 0 HE2 LYS A 39 -3.834 -11.264 -20.959 1.00 43.11 H new ATOM 0 HE3 LYS A 39 -3.910 -9.712 -20.149 1.00 43.11 H new ATOM 0 HZ1 LYS A 39 -5.788 -10.023 -21.625 1.00 65.10 H new ATOM 0 HZ2 LYS A 39 -4.829 -8.732 -22.171 1.00 65.10 H new ATOM 0 HZ3 LYS A 39 -4.755 -10.237 -22.956 1.00 65.10 H new ATOM 585 N ASP A 40 0.991 -10.390 -25.833 1.00 23.05 N ATOM 586 CA ASP A 40 1.910 -11.291 -26.518 1.00 45.23 C ATOM 587 C ASP A 40 3.356 -10.846 -26.320 1.00 62.11 C ATOM 588 O ASP A 40 4.267 -11.672 -26.259 1.00 13.35 O ATOM 589 CB ASP A 40 1.582 -11.350 -28.011 1.00 0.30 C ATOM 590 CG ASP A 40 0.560 -12.421 -28.337 1.00 52.31 C ATOM 591 OD1 ASP A 40 -0.543 -12.385 -27.753 1.00 54.45 O ATOM 592 OD2 ASP A 40 0.863 -13.296 -29.175 1.00 43.43 O ATOM 0 H ASP A 40 0.479 -9.760 -26.450 1.00 23.05 H new ATOM 0 HA ASP A 40 1.792 -12.286 -26.088 1.00 45.23 H new ATOM 0 HB2 ASP A 40 1.204 -10.380 -28.336 1.00 0.30 H new ATOM 0 HB3 ASP A 40 2.496 -11.541 -28.574 1.00 0.30 H new ATOM 597 N MET A 41 3.559 -9.536 -26.222 1.00 71.41 N ATOM 598 CA MET A 41 4.894 -8.982 -26.031 1.00 23.32 C ATOM 599 C MET A 41 5.435 -9.332 -24.648 1.00 12.42 C ATOM 600 O MET A 41 6.540 -9.856 -24.519 1.00 4.15 O ATOM 601 CB MET A 41 4.871 -7.464 -26.213 1.00 55.43 C ATOM 602 CG MET A 41 5.355 -7.008 -27.580 1.00 73.13 C ATOM 603 SD MET A 41 4.004 -6.507 -28.664 1.00 74.22 S ATOM 604 CE MET A 41 4.255 -7.612 -30.052 1.00 2.34 C ATOM 0 H MET A 41 2.816 -8.839 -26.272 1.00 71.41 H new ATOM 0 HA MET A 41 5.552 -9.420 -26.781 1.00 23.32 H new ATOM 0 HB2 MET A 41 3.854 -7.103 -26.058 1.00 55.43 H new ATOM 0 HB3 MET A 41 5.493 -7.005 -25.445 1.00 55.43 H new ATOM 0 HG2 MET A 41 6.045 -6.173 -27.457 1.00 73.13 H new ATOM 0 HG3 MET A 41 5.913 -7.817 -28.052 1.00 73.13 H new ATOM 0 HE1 MET A 41 3.494 -7.423 -30.809 1.00 2.34 H new ATOM 0 HE2 MET A 41 5.243 -7.441 -30.479 1.00 2.34 H new ATOM 0 HE3 MET A 41 4.181 -8.645 -29.713 1.00 2.34 H new ATOM 614 N GLU A 42 4.648 -9.037 -23.618 1.00 13.12 N ATOM 615 CA GLU A 42 5.049 -9.319 -22.245 1.00 25.52 C ATOM 616 C GLU A 42 5.214 -10.820 -22.024 1.00 35.51 C ATOM 617 O GLU A 42 6.147 -11.262 -21.354 1.00 0.33 O ATOM 618 CB GLU A 42 4.019 -8.758 -21.263 1.00 4.14 C ATOM 619 CG GLU A 42 3.803 -7.260 -21.398 1.00 30.02 C ATOM 620 CD GLU A 42 2.364 -6.905 -21.717 1.00 14.03 C ATOM 621 OE1 GLU A 42 1.536 -7.833 -21.833 1.00 21.23 O ATOM 622 OE2 GLU A 42 2.065 -5.700 -21.850 1.00 72.13 O ATOM 0 H GLU A 42 3.729 -8.603 -23.709 1.00 13.12 H new ATOM 0 HA GLU A 42 6.009 -8.835 -22.068 1.00 25.52 H new ATOM 0 HB2 GLU A 42 3.068 -9.269 -21.415 1.00 4.14 H new ATOM 0 HB3 GLU A 42 4.341 -8.980 -20.246 1.00 4.14 H new ATOM 0 HG2 GLU A 42 4.097 -6.769 -20.470 1.00 30.02 H new ATOM 0 HG3 GLU A 42 4.452 -6.872 -22.184 1.00 30.02 H new ATOM 629 N SER A 43 4.299 -11.600 -22.592 1.00 52.30 N ATOM 630 CA SER A 43 4.339 -13.051 -22.454 1.00 54.21 C ATOM 631 C SER A 43 5.655 -13.611 -22.985 1.00 33.12 C ATOM 632 O SER A 43 6.283 -14.459 -22.350 1.00 11.10 O ATOM 633 CB SER A 43 3.163 -13.687 -23.198 1.00 62.52 C ATOM 634 OG SER A 43 3.251 -15.102 -23.176 1.00 45.44 O ATOM 0 H SER A 43 3.521 -11.251 -23.152 1.00 52.30 H new ATOM 0 HA SER A 43 4.263 -13.293 -21.394 1.00 54.21 H new ATOM 0 HB2 SER A 43 2.225 -13.371 -22.741 1.00 62.52 H new ATOM 0 HB3 SER A 43 3.149 -13.336 -24.230 1.00 62.52 H new ATOM 0 HG SER A 43 2.487 -15.485 -23.657 1.00 45.44 H new ATOM 640 N HIS A 44 6.066 -13.131 -24.154 1.00 4.10 N ATOM 641 CA HIS A 44 7.308 -13.583 -24.771 1.00 43.44 C ATOM 642 C HIS A 44 8.508 -13.238 -23.894 1.00 31.32 C ATOM 643 O HIS A 44 9.403 -14.061 -23.697 1.00 14.30 O ATOM 644 CB HIS A 44 7.475 -12.951 -26.154 1.00 13.54 C ATOM 645 CG HIS A 44 8.670 -13.454 -26.902 1.00 41.14 C ATOM 646 ND1 HIS A 44 9.686 -12.630 -27.339 1.00 61.44 N ATOM 647 CD2 HIS A 44 9.009 -14.706 -27.290 1.00 5.32 C ATOM 648 CE1 HIS A 44 10.598 -13.354 -27.965 1.00 12.53 C ATOM 649 NE2 HIS A 44 10.211 -14.616 -27.948 1.00 63.41 N ATOM 0 H HIS A 44 5.558 -12.430 -24.693 1.00 4.10 H new ATOM 0 HA HIS A 44 7.258 -14.667 -24.878 1.00 43.44 H new ATOM 0 HB2 HIS A 44 6.579 -13.146 -26.744 1.00 13.54 H new ATOM 0 HB3 HIS A 44 7.555 -11.870 -26.043 1.00 13.54 H new ATOM 0 HD2 HIS A 44 8.440 -15.607 -27.115 1.00 5.32 H new ATOM 0 HE1 HIS A 44 11.505 -12.977 -28.414 1.00 12.53 H new ATOM 0 HE2 HIS A 44 10.722 -15.398 -28.357 1.00 63.41 H new ATOM 657 N VAL A 45 8.520 -12.017 -23.369 1.00 42.12 N ATOM 658 CA VAL A 45 9.609 -11.564 -22.512 1.00 45.25 C ATOM 659 C VAL A 45 9.797 -12.497 -21.322 1.00 32.22 C ATOM 660 O VAL A 45 10.922 -12.839 -20.958 1.00 63.33 O ATOM 661 CB VAL A 45 9.360 -10.134 -21.996 1.00 31.41 C ATOM 662 CG1 VAL A 45 10.577 -9.618 -21.244 1.00 41.00 C ATOM 663 CG2 VAL A 45 9.001 -9.207 -23.147 1.00 63.25 C ATOM 0 H VAL A 45 7.788 -11.324 -23.522 1.00 42.12 H new ATOM 0 HA VAL A 45 10.513 -11.570 -23.120 1.00 45.25 H new ATOM 0 HB VAL A 45 8.519 -10.158 -21.304 1.00 31.41 H new ATOM 0 HG11 VAL A 45 10.382 -8.607 -20.887 1.00 41.00 H new ATOM 0 HG12 VAL A 45 10.783 -10.269 -20.395 1.00 41.00 H new ATOM 0 HG13 VAL A 45 11.439 -9.608 -21.911 1.00 41.00 H new ATOM 0 HG21 VAL A 45 8.829 -8.201 -22.764 1.00 63.25 H new ATOM 0 HG22 VAL A 45 9.820 -9.186 -23.866 1.00 63.25 H new ATOM 0 HG23 VAL A 45 8.097 -9.569 -23.637 1.00 63.25 H new ATOM 673 N PHE A 46 8.686 -12.907 -20.718 1.00 3.13 N ATOM 674 CA PHE A 46 8.728 -13.801 -19.567 1.00 35.34 C ATOM 675 C PHE A 46 9.373 -15.134 -19.936 1.00 1.40 C ATOM 676 O PHE A 46 10.391 -15.524 -19.362 1.00 41.44 O ATOM 677 CB PHE A 46 7.315 -14.038 -19.027 1.00 64.12 C ATOM 678 CG PHE A 46 7.290 -14.522 -17.606 1.00 21.34 C ATOM 679 CD1 PHE A 46 7.667 -15.819 -17.295 1.00 12.02 C ATOM 680 CD2 PHE A 46 6.890 -13.681 -16.580 1.00 42.22 C ATOM 681 CE1 PHE A 46 7.644 -16.267 -15.988 1.00 33.24 C ATOM 682 CE2 PHE A 46 6.865 -14.123 -15.271 1.00 25.31 C ATOM 683 CZ PHE A 46 7.244 -15.418 -14.974 1.00 73.03 C ATOM 0 H PHE A 46 7.746 -12.634 -21.007 1.00 3.13 H new ATOM 0 HA PHE A 46 9.332 -13.327 -18.793 1.00 35.34 H new ATOM 0 HB2 PHE A 46 6.748 -13.110 -19.096 1.00 64.12 H new ATOM 0 HB3 PHE A 46 6.810 -14.768 -19.660 1.00 64.12 H new ATOM 0 HD1 PHE A 46 7.982 -16.487 -18.083 1.00 12.02 H new ATOM 0 HD2 PHE A 46 6.594 -12.667 -16.806 1.00 42.22 H new ATOM 0 HE1 PHE A 46 7.939 -17.281 -15.759 1.00 33.24 H new ATOM 0 HE2 PHE A 46 6.550 -13.457 -14.481 1.00 25.31 H new ATOM 0 HZ PHE A 46 7.228 -15.766 -13.952 1.00 73.03 H new ATOM 693 N LEU A 47 8.774 -15.828 -20.897 1.00 31.11 N ATOM 694 CA LEU A 47 9.289 -17.118 -21.344 1.00 1.32 C ATOM 695 C LEU A 47 10.719 -16.985 -21.857 1.00 3.41 C ATOM 696 O LEU A 47 11.468 -17.961 -21.900 1.00 44.34 O ATOM 697 CB LEU A 47 8.393 -17.694 -22.441 1.00 60.43 C ATOM 698 CG LEU A 47 7.088 -18.339 -21.973 1.00 11.44 C ATOM 699 CD1 LEU A 47 5.988 -18.125 -23.001 1.00 31.11 C ATOM 700 CD2 LEU A 47 7.291 -19.823 -21.707 1.00 22.11 C ATOM 0 H LEU A 47 7.931 -15.520 -21.382 1.00 31.11 H new ATOM 0 HA LEU A 47 9.290 -17.797 -20.491 1.00 1.32 H new ATOM 0 HB2 LEU A 47 8.149 -16.894 -23.140 1.00 60.43 H new ATOM 0 HB3 LEU A 47 8.964 -18.439 -22.995 1.00 60.43 H new ATOM 0 HG LEU A 47 6.784 -17.862 -21.041 1.00 11.44 H new ATOM 0 HD11 LEU A 47 5.067 -18.591 -22.651 1.00 31.11 H new ATOM 0 HD12 LEU A 47 5.824 -17.057 -23.141 1.00 31.11 H new ATOM 0 HD13 LEU A 47 6.284 -18.574 -23.949 1.00 31.11 H new ATOM 0 HD21 LEU A 47 6.352 -20.265 -21.375 1.00 22.11 H new ATOM 0 HD22 LEU A 47 7.620 -20.315 -22.622 1.00 22.11 H new ATOM 0 HD23 LEU A 47 8.047 -19.954 -20.933 1.00 22.11 H new ATOM 712 N LYS A 48 11.093 -15.769 -22.243 1.00 22.41 N ATOM 713 CA LYS A 48 12.435 -15.506 -22.750 1.00 33.02 C ATOM 714 C LYS A 48 13.393 -15.179 -21.609 1.00 30.30 C ATOM 715 O LYS A 48 14.607 -15.328 -21.744 1.00 41.41 O ATOM 716 CB LYS A 48 12.405 -14.350 -23.752 1.00 65.24 C ATOM 717 CG LYS A 48 13.785 -13.866 -24.163 1.00 24.02 C ATOM 718 CD LYS A 48 13.769 -13.247 -25.551 1.00 24.35 C ATOM 719 CE LYS A 48 15.103 -12.598 -25.887 1.00 0.24 C ATOM 720 NZ LYS A 48 15.766 -13.259 -27.045 1.00 31.25 N ATOM 0 H LYS A 48 10.485 -14.950 -22.214 1.00 22.41 H new ATOM 0 HA LYS A 48 12.790 -16.406 -23.252 1.00 33.02 H new ATOM 0 HB2 LYS A 48 11.860 -14.665 -24.642 1.00 65.24 H new ATOM 0 HB3 LYS A 48 11.852 -13.518 -23.317 1.00 65.24 H new ATOM 0 HG2 LYS A 48 14.144 -13.133 -23.441 1.00 24.02 H new ATOM 0 HG3 LYS A 48 14.485 -14.701 -24.144 1.00 24.02 H new ATOM 0 HD2 LYS A 48 13.540 -14.015 -26.290 1.00 24.35 H new ATOM 0 HD3 LYS A 48 12.976 -12.502 -25.609 1.00 24.35 H new ATOM 0 HE2 LYS A 48 14.947 -11.543 -26.112 1.00 0.24 H new ATOM 0 HE3 LYS A 48 15.759 -12.645 -25.018 1.00 0.24 H new ATOM 0 HZ1 LYS A 48 16.672 -12.787 -27.242 1.00 31.25 H new ATOM 0 HZ2 LYS A 48 15.938 -14.260 -26.821 1.00 31.25 H new ATOM 0 HZ3 LYS A 48 15.152 -13.192 -27.881 1.00 31.25 H new ATOM 734 N ALA A 49 12.839 -14.735 -20.486 1.00 31.34 N ATOM 735 CA ALA A 49 13.644 -14.391 -19.321 1.00 24.35 C ATOM 736 C ALA A 49 13.928 -15.622 -18.466 1.00 61.34 C ATOM 737 O ALA A 49 13.141 -16.569 -18.442 1.00 0.33 O ATOM 738 CB ALA A 49 12.946 -13.322 -18.493 1.00 44.03 C ATOM 0 H ALA A 49 11.835 -14.605 -20.358 1.00 31.34 H new ATOM 0 HA ALA A 49 14.597 -13.997 -19.674 1.00 24.35 H new ATOM 0 HB1 ALA A 49 13.559 -13.075 -17.626 1.00 44.03 H new ATOM 0 HB2 ALA A 49 12.800 -12.429 -19.100 1.00 44.03 H new ATOM 0 HB3 ALA A 49 11.978 -13.695 -18.158 1.00 44.03 H new ATOM 744 N LYS A 50 15.058 -15.604 -17.767 1.00 52.12 N ATOM 745 CA LYS A 50 15.446 -16.718 -16.911 1.00 22.14 C ATOM 746 C LYS A 50 15.117 -16.423 -15.451 1.00 5.52 C ATOM 747 O LYS A 50 14.932 -17.337 -14.647 1.00 72.24 O ATOM 748 CB LYS A 50 16.942 -17.005 -17.060 1.00 20.34 C ATOM 749 CG LYS A 50 17.247 -18.196 -17.952 1.00 32.00 C ATOM 750 CD LYS A 50 18.425 -17.917 -18.871 1.00 33.35 C ATOM 751 CE LYS A 50 18.810 -19.151 -19.673 1.00 0.13 C ATOM 752 NZ LYS A 50 19.933 -19.896 -19.039 1.00 42.14 N ATOM 0 H LYS A 50 15.721 -14.829 -17.777 1.00 52.12 H new ATOM 0 HA LYS A 50 14.881 -17.597 -17.222 1.00 22.14 H new ATOM 0 HB2 LYS A 50 17.434 -16.122 -17.467 1.00 20.34 H new ATOM 0 HB3 LYS A 50 17.370 -17.182 -16.073 1.00 20.34 H new ATOM 0 HG2 LYS A 50 17.464 -19.068 -17.335 1.00 32.00 H new ATOM 0 HG3 LYS A 50 16.368 -18.439 -18.549 1.00 32.00 H new ATOM 0 HD2 LYS A 50 18.173 -17.104 -19.551 1.00 33.35 H new ATOM 0 HD3 LYS A 50 19.278 -17.585 -18.280 1.00 33.35 H new ATOM 0 HE2 LYS A 50 17.945 -19.808 -19.766 1.00 0.13 H new ATOM 0 HE3 LYS A 50 19.095 -18.854 -20.682 1.00 0.13 H new ATOM 0 HZ1 LYS A 50 20.166 -20.730 -19.615 1.00 42.14 H new ATOM 0 HZ2 LYS A 50 20.766 -19.277 -18.973 1.00 42.14 H new ATOM 0 HZ3 LYS A 50 19.652 -20.202 -18.085 1.00 42.14 H new ATOM 766 N THR A 51 15.045 -15.139 -15.113 1.00 44.42 N ATOM 767 CA THR A 51 14.739 -14.723 -13.751 1.00 14.35 C ATOM 768 C THR A 51 13.987 -13.396 -13.736 1.00 62.45 C ATOM 769 O THR A 51 13.876 -12.724 -14.762 1.00 23.22 O ATOM 770 CB THR A 51 16.018 -14.584 -12.904 1.00 41.21 C ATOM 771 OG1 THR A 51 16.835 -13.527 -13.421 1.00 20.33 O ATOM 772 CG2 THR A 51 16.807 -15.885 -12.898 1.00 14.32 C ATOM 0 H THR A 51 15.195 -14.369 -15.765 1.00 44.42 H new ATOM 0 HA THR A 51 14.109 -15.500 -13.319 1.00 14.35 H new ATOM 0 HB THR A 51 15.726 -14.350 -11.880 1.00 41.21 H new ATOM 0 HG1 THR A 51 17.645 -13.444 -12.876 1.00 20.33 H new ATOM 0 HG21 THR A 51 17.706 -15.763 -12.294 1.00 14.32 H new ATOM 0 HG22 THR A 51 16.193 -16.681 -12.478 1.00 14.32 H new ATOM 0 HG23 THR A 51 17.089 -16.144 -13.919 1.00 14.32 H new ATOM 780 N ARG A 52 13.473 -13.025 -12.568 1.00 63.24 N ATOM 781 CA ARG A 52 12.732 -11.779 -12.422 1.00 14.33 C ATOM 782 C ARG A 52 13.548 -10.597 -12.936 1.00 10.52 C ATOM 783 O ARG A 52 12.992 -9.592 -13.380 1.00 42.21 O ATOM 784 CB ARG A 52 12.356 -11.554 -10.956 1.00 14.40 C ATOM 785 CG ARG A 52 13.525 -11.122 -10.087 1.00 23.04 C ATOM 786 CD ARG A 52 13.112 -10.975 -8.630 1.00 45.34 C ATOM 787 NE ARG A 52 13.792 -9.858 -7.979 1.00 55.44 N ATOM 788 CZ ARG A 52 15.080 -9.868 -7.656 1.00 71.33 C ATOM 789 NH1 ARG A 52 15.825 -10.932 -7.923 1.00 71.20 N ATOM 790 NH2 ARG A 52 15.626 -8.813 -7.066 1.00 11.14 N ATOM 0 H ARG A 52 13.556 -13.570 -11.710 1.00 63.24 H new ATOM 0 HA ARG A 52 11.822 -11.855 -13.017 1.00 14.33 H new ATOM 0 HB2 ARG A 52 11.575 -10.796 -10.902 1.00 14.40 H new ATOM 0 HB3 ARG A 52 11.935 -12.475 -10.552 1.00 14.40 H new ATOM 0 HG2 ARG A 52 14.329 -11.854 -10.166 1.00 23.04 H new ATOM 0 HG3 ARG A 52 13.920 -10.174 -10.452 1.00 23.04 H new ATOM 0 HD2 ARG A 52 12.034 -10.827 -8.572 1.00 45.34 H new ATOM 0 HD3 ARG A 52 13.336 -11.898 -8.095 1.00 45.34 H new ATOM 0 HE ARG A 52 13.247 -9.024 -7.760 1.00 55.44 H new ATOM 0 HH11 ARG A 52 15.409 -11.745 -8.377 1.00 71.20 H new ATOM 0 HH12 ARG A 52 16.814 -10.937 -7.674 1.00 71.20 H new ATOM 0 HH21 ARG A 52 15.056 -7.992 -6.860 1.00 11.14 H new ATOM 0 HH22 ARG A 52 16.615 -8.822 -6.819 1.00 11.14 H new ATOM 804 N ASP A 53 14.869 -10.724 -12.872 1.00 13.14 N ATOM 805 CA ASP A 53 15.762 -9.667 -13.331 1.00 1.31 C ATOM 806 C ASP A 53 15.738 -9.558 -14.852 1.00 64.24 C ATOM 807 O ASP A 53 15.523 -8.479 -15.403 1.00 61.34 O ATOM 808 CB ASP A 53 17.189 -9.930 -12.848 1.00 62.22 C ATOM 809 CG ASP A 53 17.856 -8.682 -12.303 1.00 74.31 C ATOM 810 OD1 ASP A 53 18.447 -7.927 -13.103 1.00 60.33 O ATOM 811 OD2 ASP A 53 17.785 -8.460 -11.076 1.00 61.15 O ATOM 0 H ASP A 53 15.345 -11.549 -12.507 1.00 13.14 H new ATOM 0 HA ASP A 53 15.413 -8.723 -12.912 1.00 1.31 H new ATOM 0 HB2 ASP A 53 17.172 -10.697 -12.073 1.00 62.22 H new ATOM 0 HB3 ASP A 53 17.782 -10.324 -13.673 1.00 62.22 H new ATOM 816 N GLU A 54 15.962 -10.683 -15.524 1.00 63.15 N ATOM 817 CA GLU A 54 15.968 -10.713 -16.982 1.00 43.24 C ATOM 818 C GLU A 54 14.702 -10.073 -17.545 1.00 5.31 C ATOM 819 O GLU A 54 14.764 -9.239 -18.449 1.00 3.02 O ATOM 820 CB GLU A 54 16.091 -12.153 -17.485 1.00 3.12 C ATOM 821 CG GLU A 54 16.402 -12.255 -18.969 1.00 30.44 C ATOM 822 CD GLU A 54 17.099 -13.553 -19.330 1.00 52.35 C ATOM 823 OE1 GLU A 54 17.883 -14.058 -18.500 1.00 14.51 O ATOM 824 OE2 GLU A 54 16.859 -14.063 -20.445 1.00 45.00 O ATOM 0 H GLU A 54 16.142 -11.585 -15.082 1.00 63.15 H new ATOM 0 HA GLU A 54 16.829 -10.140 -17.327 1.00 43.24 H new ATOM 0 HB2 GLU A 54 16.875 -12.660 -16.922 1.00 3.12 H new ATOM 0 HB3 GLU A 54 15.160 -12.681 -17.280 1.00 3.12 H new ATOM 0 HG2 GLU A 54 15.475 -12.174 -19.537 1.00 30.44 H new ATOM 0 HG3 GLU A 54 17.031 -11.415 -19.263 1.00 30.44 H new ATOM 831 N TYR A 55 13.556 -10.469 -17.004 1.00 71.20 N ATOM 832 CA TYR A 55 12.275 -9.937 -17.453 1.00 73.31 C ATOM 833 C TYR A 55 12.170 -8.445 -17.154 1.00 55.13 C ATOM 834 O TYR A 55 11.987 -7.630 -18.059 1.00 54.44 O ATOM 835 CB TYR A 55 11.123 -10.686 -16.779 1.00 45.04 C ATOM 836 CG TYR A 55 9.771 -10.052 -17.012 1.00 14.13 C ATOM 837 CD1 TYR A 55 9.078 -10.261 -18.198 1.00 62.11 C ATOM 838 CD2 TYR A 55 9.185 -9.243 -16.046 1.00 23.14 C ATOM 839 CE1 TYR A 55 7.842 -9.683 -18.415 1.00 62.42 C ATOM 840 CE2 TYR A 55 7.949 -8.663 -16.253 1.00 42.54 C ATOM 841 CZ TYR A 55 7.282 -8.885 -17.440 1.00 33.43 C ATOM 842 OH TYR A 55 6.051 -8.308 -17.651 1.00 52.31 O ATOM 0 H TYR A 55 13.488 -11.157 -16.254 1.00 71.20 H new ATOM 0 HA TYR A 55 12.210 -10.079 -18.532 1.00 73.31 H new ATOM 0 HB2 TYR A 55 11.102 -11.712 -17.148 1.00 45.04 H new ATOM 0 HB3 TYR A 55 11.311 -10.736 -15.707 1.00 45.04 H new ATOM 0 HD1 TYR A 55 9.513 -10.886 -18.964 1.00 62.11 H new ATOM 0 HD2 TYR A 55 9.706 -9.065 -15.117 1.00 23.14 H new ATOM 0 HE1 TYR A 55 7.317 -9.855 -19.343 1.00 62.42 H new ATOM 0 HE2 TYR A 55 7.507 -8.039 -15.490 1.00 42.54 H new ATOM 0 HH TYR A 55 5.423 -8.616 -16.964 1.00 52.31 H new ATOM 852 N LEU A 56 12.287 -8.094 -15.878 1.00 61.24 N ATOM 853 CA LEU A 56 12.206 -6.700 -15.458 1.00 3.43 C ATOM 854 C LEU A 56 13.151 -5.828 -16.279 1.00 14.41 C ATOM 855 O LEU A 56 12.888 -4.645 -16.496 1.00 41.32 O ATOM 856 CB LEU A 56 12.542 -6.575 -13.971 1.00 1.24 C ATOM 857 CG LEU A 56 11.389 -6.829 -12.999 1.00 4.04 C ATOM 858 CD1 LEU A 56 11.906 -7.440 -11.706 1.00 25.14 C ATOM 859 CD2 LEU A 56 10.635 -5.538 -12.716 1.00 44.32 C ATOM 0 H LEU A 56 12.438 -8.756 -15.117 1.00 61.24 H new ATOM 0 HA LEU A 56 11.186 -6.355 -15.624 1.00 3.43 H new ATOM 0 HB2 LEU A 56 13.346 -7.274 -13.741 1.00 1.24 H new ATOM 0 HB3 LEU A 56 12.930 -5.573 -13.790 1.00 1.24 H new ATOM 0 HG LEU A 56 10.699 -7.535 -13.461 1.00 4.04 H new ATOM 0 HD11 LEU A 56 11.072 -7.614 -11.027 1.00 25.14 H new ATOM 0 HD12 LEU A 56 12.400 -8.387 -11.923 1.00 25.14 H new ATOM 0 HD13 LEU A 56 12.617 -6.758 -11.240 1.00 25.14 H new ATOM 0 HD21 LEU A 56 9.818 -5.738 -12.023 1.00 44.32 H new ATOM 0 HD22 LEU A 56 11.315 -4.809 -12.275 1.00 44.32 H new ATOM 0 HD23 LEU A 56 10.231 -5.141 -13.647 1.00 44.32 H new ATOM 871 N SER A 57 14.250 -6.420 -16.734 1.00 74.45 N ATOM 872 CA SER A 57 15.234 -5.697 -17.531 1.00 21.32 C ATOM 873 C SER A 57 14.725 -5.474 -18.952 1.00 2.34 C ATOM 874 O SER A 57 14.657 -4.340 -19.428 1.00 44.22 O ATOM 875 CB SER A 57 16.557 -6.465 -17.566 1.00 33.53 C ATOM 876 OG SER A 57 17.644 -5.597 -17.834 1.00 71.11 O ATOM 0 H SER A 57 14.482 -7.399 -16.564 1.00 74.45 H new ATOM 0 HA SER A 57 15.398 -4.725 -17.066 1.00 21.32 H new ATOM 0 HB2 SER A 57 16.715 -6.967 -16.611 1.00 33.53 H new ATOM 0 HB3 SER A 57 16.510 -7.241 -18.330 1.00 33.53 H new ATOM 0 HG SER A 57 18.478 -6.112 -17.849 1.00 71.11 H new ATOM 882 N LEU A 58 14.369 -6.563 -19.624 1.00 14.34 N ATOM 883 CA LEU A 58 13.865 -6.487 -20.991 1.00 23.52 C ATOM 884 C LEU A 58 12.606 -5.630 -21.061 1.00 12.00 C ATOM 885 O LEU A 58 12.403 -4.883 -22.018 1.00 60.14 O ATOM 886 CB LEU A 58 13.571 -7.890 -21.525 1.00 22.52 C ATOM 887 CG LEU A 58 14.767 -8.657 -22.092 1.00 33.14 C ATOM 888 CD1 LEU A 58 14.660 -10.137 -21.756 1.00 54.44 C ATOM 889 CD2 LEU A 58 14.865 -8.455 -23.597 1.00 33.13 C ATOM 0 H LEU A 58 14.420 -7.509 -19.245 1.00 14.34 H new ATOM 0 HA LEU A 58 14.633 -6.022 -21.610 1.00 23.52 H new ATOM 0 HB2 LEU A 58 13.136 -8.480 -20.719 1.00 22.52 H new ATOM 0 HB3 LEU A 58 12.814 -7.809 -22.305 1.00 22.52 H new ATOM 0 HG LEU A 58 15.675 -8.266 -21.633 1.00 33.14 H new ATOM 0 HD11 LEU A 58 15.519 -10.667 -22.167 1.00 54.44 H new ATOM 0 HD12 LEU A 58 14.640 -10.264 -20.674 1.00 54.44 H new ATOM 0 HD13 LEU A 58 13.744 -10.542 -22.186 1.00 54.44 H new ATOM 0 HD21 LEU A 58 15.721 -9.008 -23.983 1.00 33.13 H new ATOM 0 HD22 LEU A 58 13.954 -8.818 -24.073 1.00 33.13 H new ATOM 0 HD23 LEU A 58 14.990 -7.394 -23.814 1.00 33.13 H new ATOM 901 N VAL A 59 11.763 -5.741 -20.039 1.00 52.12 N ATOM 902 CA VAL A 59 10.524 -4.973 -19.983 1.00 24.40 C ATOM 903 C VAL A 59 10.808 -3.478 -19.900 1.00 1.21 C ATOM 904 O VAL A 59 10.360 -2.703 -20.744 1.00 40.14 O ATOM 905 CB VAL A 59 9.661 -5.389 -18.777 1.00 51.30 C ATOM 906 CG1 VAL A 59 8.397 -4.545 -18.709 1.00 3.20 C ATOM 907 CG2 VAL A 59 9.320 -6.869 -18.851 1.00 73.34 C ATOM 0 H VAL A 59 11.915 -6.355 -19.239 1.00 52.12 H new ATOM 0 HA VAL A 59 9.977 -5.185 -20.902 1.00 24.40 H new ATOM 0 HB VAL A 59 10.234 -5.217 -17.866 1.00 51.30 H new ATOM 0 HG11 VAL A 59 7.800 -4.853 -17.851 1.00 3.20 H new ATOM 0 HG12 VAL A 59 8.666 -3.494 -18.605 1.00 3.20 H new ATOM 0 HG13 VAL A 59 7.818 -4.683 -19.622 1.00 3.20 H new ATOM 0 HG21 VAL A 59 8.710 -7.145 -17.991 1.00 73.34 H new ATOM 0 HG22 VAL A 59 8.766 -7.069 -19.768 1.00 73.34 H new ATOM 0 HG23 VAL A 59 10.239 -7.455 -18.847 1.00 73.34 H new ATOM 917 N ALA A 60 11.556 -3.079 -18.876 1.00 51.12 N ATOM 918 CA ALA A 60 11.902 -1.676 -18.684 1.00 30.11 C ATOM 919 C ALA A 60 12.460 -1.068 -19.966 1.00 4.32 C ATOM 920 O ALA A 60 11.953 -0.060 -20.458 1.00 74.25 O ATOM 921 CB ALA A 60 12.904 -1.531 -17.548 1.00 50.42 C ATOM 0 H ALA A 60 11.934 -3.708 -18.167 1.00 51.12 H new ATOM 0 HA ALA A 60 10.993 -1.135 -18.423 1.00 30.11 H new ATOM 0 HB1 ALA A 60 13.154 -0.478 -17.415 1.00 50.42 H new ATOM 0 HB2 ALA A 60 12.469 -1.920 -16.627 1.00 50.42 H new ATOM 0 HB3 ALA A 60 13.808 -2.091 -17.787 1.00 50.42 H new ATOM 927 N ARG A 61 13.509 -1.685 -20.501 1.00 34.42 N ATOM 928 CA ARG A 61 14.137 -1.203 -21.725 1.00 0.14 C ATOM 929 C ARG A 61 13.096 -0.976 -22.817 1.00 42.51 C ATOM 930 O ARG A 61 13.120 0.043 -23.510 1.00 62.51 O ATOM 931 CB ARG A 61 15.191 -2.200 -22.209 1.00 61.12 C ATOM 932 CG ARG A 61 16.523 -2.077 -21.487 1.00 61.24 C ATOM 933 CD ARG A 61 17.224 -3.422 -21.379 1.00 63.25 C ATOM 934 NE ARG A 61 18.432 -3.477 -22.199 1.00 73.43 N ATOM 935 CZ ARG A 61 19.363 -4.417 -22.074 1.00 53.42 C ATOM 936 NH1 ARG A 61 19.225 -5.374 -21.167 1.00 65.14 N ATOM 937 NH2 ARG A 61 20.434 -4.399 -22.857 1.00 73.44 N ATOM 0 H ARG A 61 13.942 -2.520 -20.106 1.00 34.42 H new ATOM 0 HA ARG A 61 14.621 -0.251 -21.505 1.00 0.14 H new ATOM 0 HB2 ARG A 61 14.809 -3.212 -22.078 1.00 61.12 H new ATOM 0 HB3 ARG A 61 15.352 -2.056 -23.277 1.00 61.12 H new ATOM 0 HG2 ARG A 61 17.163 -1.374 -22.019 1.00 61.24 H new ATOM 0 HG3 ARG A 61 16.361 -1.669 -20.489 1.00 61.24 H new ATOM 0 HD2 ARG A 61 17.484 -3.613 -20.338 1.00 63.25 H new ATOM 0 HD3 ARG A 61 16.540 -4.213 -21.687 1.00 63.25 H new ATOM 0 HE ARG A 61 18.568 -2.754 -22.906 1.00 73.43 H new ATOM 0 HH11 ARG A 61 18.403 -5.390 -20.563 1.00 65.14 H new ATOM 0 HH12 ARG A 61 19.941 -6.094 -21.073 1.00 65.14 H new ATOM 0 HH21 ARG A 61 20.543 -3.663 -23.555 1.00 73.44 H new ATOM 0 HH22 ARG A 61 21.148 -5.121 -22.761 1.00 73.44 H new ATOM 951 N LEU A 62 12.184 -1.930 -22.966 1.00 1.23 N ATOM 952 CA LEU A 62 11.134 -1.834 -23.974 1.00 64.42 C ATOM 953 C LEU A 62 10.279 -0.591 -23.754 1.00 32.12 C ATOM 954 O LEU A 62 10.108 0.225 -24.660 1.00 35.02 O ATOM 955 CB LEU A 62 10.254 -3.085 -23.943 1.00 24.24 C ATOM 956 CG LEU A 62 9.038 -3.074 -24.869 1.00 12.41 C ATOM 957 CD1 LEU A 62 8.960 -4.368 -25.664 1.00 40.51 C ATOM 958 CD2 LEU A 62 7.761 -2.859 -24.069 1.00 71.14 C ATOM 0 H LEU A 62 12.150 -2.779 -22.402 1.00 1.23 H new ATOM 0 HA LEU A 62 11.610 -1.756 -24.952 1.00 64.42 H new ATOM 0 HB2 LEU A 62 10.872 -3.946 -24.198 1.00 24.24 H new ATOM 0 HB3 LEU A 62 9.906 -3.234 -22.921 1.00 24.24 H new ATOM 0 HG LEU A 62 9.147 -2.247 -25.571 1.00 12.41 H new ATOM 0 HD11 LEU A 62 8.088 -4.342 -26.317 1.00 40.51 H new ATOM 0 HD12 LEU A 62 9.862 -4.480 -26.266 1.00 40.51 H new ATOM 0 HD13 LEU A 62 8.874 -5.211 -24.979 1.00 40.51 H new ATOM 0 HD21 LEU A 62 6.905 -2.854 -24.744 1.00 71.14 H new ATOM 0 HD22 LEU A 62 7.646 -3.664 -23.344 1.00 71.14 H new ATOM 0 HD23 LEU A 62 7.816 -1.904 -23.546 1.00 71.14 H new ATOM 970 N ILE A 63 9.746 -0.453 -22.544 1.00 40.34 N ATOM 971 CA ILE A 63 8.911 0.693 -22.204 1.00 63.15 C ATOM 972 C ILE A 63 9.665 2.002 -22.409 1.00 5.43 C ATOM 973 O ILE A 63 9.162 2.927 -23.047 1.00 13.44 O ATOM 974 CB ILE A 63 8.420 0.618 -20.747 1.00 11.52 C ATOM 975 CG1 ILE A 63 7.329 -0.445 -20.607 1.00 71.21 C ATOM 976 CG2 ILE A 63 7.905 1.976 -20.291 1.00 62.25 C ATOM 977 CD1 ILE A 63 6.908 -0.695 -19.176 1.00 24.13 C ATOM 0 H ILE A 63 9.877 -1.120 -21.784 1.00 40.34 H new ATOM 0 HA ILE A 63 8.049 0.665 -22.871 1.00 63.15 H new ATOM 0 HB ILE A 63 9.259 0.336 -20.111 1.00 11.52 H new ATOM 0 HG12 ILE A 63 6.457 -0.138 -21.185 1.00 71.21 H new ATOM 0 HG13 ILE A 63 7.686 -1.379 -21.041 1.00 71.21 H new ATOM 0 HG21 ILE A 63 7.561 1.907 -19.259 1.00 62.25 H new ATOM 0 HG22 ILE A 63 8.707 2.711 -20.358 1.00 62.25 H new ATOM 0 HG23 ILE A 63 7.077 2.284 -20.929 1.00 62.25 H new ATOM 0 HD11 ILE A 63 6.132 -1.460 -19.153 1.00 24.13 H new ATOM 0 HD12 ILE A 63 7.768 -1.033 -18.598 1.00 24.13 H new ATOM 0 HD13 ILE A 63 6.520 0.228 -18.744 1.00 24.13 H new ATOM 989 N ILE A 64 10.876 2.073 -21.865 1.00 33.23 N ATOM 990 CA ILE A 64 11.701 3.268 -21.990 1.00 34.01 C ATOM 991 C ILE A 64 11.906 3.643 -23.454 1.00 0.34 C ATOM 992 O ILE A 64 11.775 4.808 -23.831 1.00 74.05 O ATOM 993 CB ILE A 64 13.075 3.075 -21.323 1.00 45.52 C ATOM 994 CG1 ILE A 64 12.916 2.932 -19.808 1.00 63.12 C ATOM 995 CG2 ILE A 64 13.994 4.242 -21.657 1.00 33.34 C ATOM 996 CD1 ILE A 64 13.755 1.821 -19.215 1.00 55.21 C ATOM 0 H ILE A 64 11.307 1.317 -21.334 1.00 33.23 H new ATOM 0 HA ILE A 64 11.170 4.073 -21.482 1.00 34.01 H new ATOM 0 HB ILE A 64 13.525 2.161 -21.710 1.00 45.52 H new ATOM 0 HG12 ILE A 64 13.186 3.874 -19.332 1.00 63.12 H new ATOM 0 HG13 ILE A 64 11.867 2.747 -19.577 1.00 63.12 H new ATOM 0 HG21 ILE A 64 14.962 4.092 -21.178 1.00 33.34 H new ATOM 0 HG22 ILE A 64 14.129 4.302 -22.737 1.00 33.34 H new ATOM 0 HG23 ILE A 64 13.551 5.170 -21.295 1.00 33.34 H new ATOM 0 HD11 ILE A 64 13.592 1.777 -18.138 1.00 55.21 H new ATOM 0 HD12 ILE A 64 13.469 0.870 -19.664 1.00 55.21 H new ATOM 0 HD13 ILE A 64 14.809 2.014 -19.415 1.00 55.21 H new ATOM 1008 N HIS A 65 12.228 2.648 -24.274 1.00 54.45 N ATOM 1009 CA HIS A 65 12.449 2.873 -25.699 1.00 11.55 C ATOM 1010 C HIS A 65 11.205 3.464 -26.355 1.00 13.21 C ATOM 1011 O HIS A 65 11.302 4.272 -27.279 1.00 10.11 O ATOM 1012 CB HIS A 65 12.832 1.565 -26.390 1.00 32.42 C ATOM 1013 CG HIS A 65 13.964 1.708 -27.360 1.00 1.44 C ATOM 1014 ND1 HIS A 65 15.283 1.503 -27.013 1.00 32.03 N ATOM 1015 CD2 HIS A 65 13.969 2.038 -28.672 1.00 71.34 C ATOM 1016 CE1 HIS A 65 16.050 1.701 -28.070 1.00 12.52 C ATOM 1017 NE2 HIS A 65 15.277 2.027 -29.090 1.00 71.43 N ATOM 0 H HIS A 65 12.342 1.679 -23.977 1.00 54.45 H new ATOM 0 HA HIS A 65 13.268 3.585 -25.807 1.00 11.55 H new ATOM 0 HB2 HIS A 65 13.104 0.830 -25.633 1.00 32.42 H new ATOM 0 HB3 HIS A 65 11.961 1.173 -26.916 1.00 32.42 H new ATOM 0 HD2 HIS A 65 13.105 2.267 -29.278 1.00 71.34 H new ATOM 0 HE1 HIS A 65 17.126 1.612 -28.096 1.00 12.52 H new ATOM 0 HE2 HIS A 65 15.599 2.237 -30.035 1.00 71.43 H new ATOM 1025 N PHE A 66 10.036 3.055 -25.872 1.00 41.11 N ATOM 1026 CA PHE A 66 8.773 3.542 -26.413 1.00 54.41 C ATOM 1027 C PHE A 66 8.564 5.014 -26.067 1.00 64.13 C ATOM 1028 O PHE A 66 8.187 5.816 -26.922 1.00 4.02 O ATOM 1029 CB PHE A 66 7.608 2.710 -25.873 1.00 54.25 C ATOM 1030 CG PHE A 66 7.326 1.477 -26.683 1.00 40.04 C ATOM 1031 CD1 PHE A 66 6.923 1.577 -28.005 1.00 52.31 C ATOM 1032 CD2 PHE A 66 7.464 0.217 -26.123 1.00 1.53 C ATOM 1033 CE1 PHE A 66 6.663 0.444 -28.753 1.00 42.54 C ATOM 1034 CE2 PHE A 66 7.206 -0.919 -26.866 1.00 44.21 C ATOM 1035 CZ PHE A 66 6.804 -0.805 -28.183 1.00 22.24 C ATOM 0 H PHE A 66 9.938 2.388 -25.107 1.00 41.11 H new ATOM 0 HA PHE A 66 8.809 3.443 -27.498 1.00 54.41 H new ATOM 0 HB2 PHE A 66 7.826 2.418 -24.846 1.00 54.25 H new ATOM 0 HB3 PHE A 66 6.712 3.330 -25.845 1.00 54.25 H new ATOM 0 HD1 PHE A 66 6.811 2.552 -28.456 1.00 52.31 H new ATOM 0 HD2 PHE A 66 7.777 0.122 -25.094 1.00 1.53 H new ATOM 0 HE1 PHE A 66 6.350 0.536 -29.782 1.00 42.54 H new ATOM 0 HE2 PHE A 66 7.318 -1.895 -26.418 1.00 44.21 H new ATOM 0 HZ PHE A 66 6.601 -1.692 -28.765 1.00 22.24 H new