USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 GLN : amide:sc= -1.68! C(o=-1.6!,f=-2.8!) USER MOD Set 1.2: A 21 SER OG : rot 135:sc= 0.098 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.31) USER MOD Single : A 27 MET CE :methyl -164:sc= 0 (180deg=-0.405) 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 95:sc= 0.0611 USER MOD Single : A 44 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.26) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 130:sc= -0.152 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0759 X(o=-0.076,f=-0.0002) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 10 8.698 -13.520 -8.763 1.00 14.35 N ATOM 101 CA TRP A 10 8.289 -12.663 -9.870 1.00 70.11 C ATOM 102 C TRP A 10 7.264 -13.367 -10.753 1.00 43.31 C ATOM 103 O TRP A 10 6.518 -12.721 -11.489 1.00 12.22 O ATOM 104 CB TRP A 10 9.506 -12.257 -10.704 1.00 34.15 C ATOM 105 CG TRP A 10 10.114 -13.398 -11.461 1.00 61.13 C ATOM 106 CD1 TRP A 10 10.736 -14.493 -10.933 1.00 71.55 C ATOM 107 CD2 TRP A 10 10.160 -13.555 -12.884 1.00 1.43 C ATOM 108 NE1 TRP A 10 11.166 -15.322 -11.942 1.00 51.53 N ATOM 109 CE2 TRP A 10 10.824 -14.769 -13.148 1.00 1.51 C ATOM 110 CE3 TRP A 10 9.703 -12.789 -13.960 1.00 4.34 C ATOM 111 CZ2 TRP A 10 11.042 -15.231 -14.443 1.00 41.31 C ATOM 112 CZ3 TRP A 10 9.921 -13.249 -15.244 1.00 52.34 C ATOM 113 CH2 TRP A 10 10.584 -14.461 -15.478 1.00 4.45 C ATOM 0 HA TRP A 10 7.828 -11.768 -9.453 1.00 70.11 H new ATOM 0 HB2 TRP A 10 9.212 -11.479 -11.408 1.00 34.15 H new ATOM 0 HB3 TRP A 10 10.260 -11.824 -10.047 1.00 34.15 H new ATOM 0 HD1 TRP A 10 10.870 -14.680 -9.878 1.00 71.55 H new ATOM 0 HE1 TRP A 10 11.660 -16.205 -11.814 1.00 51.53 H new ATOM 0 HE3 TRP A 10 9.189 -11.854 -13.791 1.00 4.34 H new ATOM 0 HZ2 TRP A 10 11.554 -16.164 -14.625 1.00 41.31 H new ATOM 0 HZ3 TRP A 10 9.574 -12.664 -16.083 1.00 52.34 H new ATOM 0 HH2 TRP A 10 10.737 -14.794 -16.494 1.00 4.45 H new ATOM 124 N ARG A 11 7.234 -14.693 -10.675 1.00 74.00 N ATOM 125 CA ARG A 11 6.300 -15.484 -11.469 1.00 4.45 C ATOM 126 C ARG A 11 4.870 -15.300 -10.968 1.00 65.34 C ATOM 127 O ARG A 11 3.915 -15.722 -11.620 1.00 63.32 O ATOM 128 CB ARG A 11 6.683 -16.964 -11.420 1.00 2.12 C ATOM 129 CG ARG A 11 8.135 -17.230 -11.782 1.00 42.21 C ATOM 130 CD ARG A 11 8.419 -18.720 -11.890 1.00 13.13 C ATOM 131 NE ARG A 11 9.474 -19.144 -10.973 1.00 51.14 N ATOM 132 CZ ARG A 11 9.271 -19.398 -9.686 1.00 34.34 C ATOM 133 NH1 ARG A 11 8.058 -19.273 -9.165 1.00 54.31 N ATOM 134 NH2 ARG A 11 10.282 -19.780 -8.916 1.00 13.12 N ATOM 0 H ARG A 11 7.845 -15.243 -10.071 1.00 74.00 H new ATOM 0 HA ARG A 11 6.353 -15.136 -12.501 1.00 4.45 H new ATOM 0 HB2 ARG A 11 6.491 -17.347 -10.418 1.00 2.12 H new ATOM 0 HB3 ARG A 11 6.040 -17.520 -12.102 1.00 2.12 H new ATOM 0 HG2 ARG A 11 8.370 -16.744 -12.729 1.00 42.21 H new ATOM 0 HG3 ARG A 11 8.786 -16.788 -11.027 1.00 42.21 H new ATOM 0 HD2 ARG A 11 7.508 -19.279 -11.678 1.00 13.13 H new ATOM 0 HD3 ARG A 11 8.709 -18.961 -12.913 1.00 13.13 H new ATOM 0 HE ARG A 11 10.419 -19.251 -11.342 1.00 51.14 H new ATOM 0 HH11 ARG A 11 7.278 -18.981 -9.754 1.00 54.31 H new ATOM 0 HH12 ARG A 11 7.905 -19.469 -8.176 1.00 54.31 H new ATOM 0 HH21 ARG A 11 11.216 -19.879 -9.313 1.00 13.12 H new ATOM 0 HH22 ARG A 11 10.125 -19.975 -7.927 1.00 13.12 H new ATOM 148 N SER A 12 4.732 -14.669 -9.807 1.00 55.52 N ATOM 149 CA SER A 12 3.419 -14.433 -9.217 1.00 71.13 C ATOM 150 C SER A 12 2.505 -13.706 -10.199 1.00 33.21 C ATOM 151 O SER A 12 2.936 -12.804 -10.917 1.00 4.30 O ATOM 152 CB SER A 12 3.554 -13.618 -7.929 1.00 72.44 C ATOM 153 OG SER A 12 2.365 -12.898 -7.655 1.00 11.11 O ATOM 0 H SER A 12 5.513 -14.312 -9.256 1.00 55.52 H new ATOM 0 HA SER A 12 2.975 -15.400 -8.982 1.00 71.13 H new ATOM 0 HB2 SER A 12 3.780 -14.283 -7.096 1.00 72.44 H new ATOM 0 HB3 SER A 12 4.390 -12.925 -8.019 1.00 72.44 H new ATOM 0 HG SER A 12 2.476 -12.387 -6.826 1.00 11.11 H new ATOM 159 N THR A 13 1.237 -14.106 -10.225 1.00 21.33 N ATOM 160 CA THR A 13 0.261 -13.495 -11.118 1.00 32.41 C ATOM 161 C THR A 13 0.224 -11.982 -10.940 1.00 3.11 C ATOM 162 O THR A 13 0.262 -11.232 -11.915 1.00 10.22 O ATOM 163 CB THR A 13 -1.151 -14.063 -10.880 1.00 31.14 C ATOM 164 OG1 THR A 13 -1.076 -15.468 -10.614 1.00 62.23 O ATOM 165 CG2 THR A 13 -2.044 -13.817 -12.086 1.00 52.22 C ATOM 0 H THR A 13 0.862 -14.851 -9.637 1.00 21.33 H new ATOM 0 HA THR A 13 0.573 -13.731 -12.135 1.00 32.41 H new ATOM 0 HB THR A 13 -1.583 -13.553 -10.019 1.00 31.14 H new ATOM 0 HG1 THR A 13 -1.978 -15.821 -10.462 1.00 62.23 H new ATOM 0 HG21 THR A 13 -3.036 -14.227 -11.894 1.00 52.22 H new ATOM 0 HG22 THR A 13 -2.123 -12.745 -12.267 1.00 52.22 H new ATOM 0 HG23 THR A 13 -1.614 -14.302 -12.962 1.00 52.22 H new ATOM 173 N ALA A 14 0.151 -11.539 -9.689 1.00 25.41 N ATOM 174 CA ALA A 14 0.113 -10.115 -9.384 1.00 12.34 C ATOM 175 C ALA A 14 1.284 -9.383 -10.029 1.00 44.25 C ATOM 176 O ALA A 14 1.133 -8.269 -10.532 1.00 74.10 O ATOM 177 CB ALA A 14 0.118 -9.897 -7.878 1.00 32.34 C ATOM 0 H ALA A 14 0.117 -12.147 -8.870 1.00 25.41 H new ATOM 0 HA ALA A 14 -0.809 -9.706 -9.797 1.00 12.34 H new ATOM 0 HB1 ALA A 14 0.089 -8.828 -7.665 1.00 32.34 H new ATOM 0 HB2 ALA A 14 -0.755 -10.378 -7.438 1.00 32.34 H new ATOM 0 HB3 ALA A 14 1.024 -10.328 -7.451 1.00 32.34 H new ATOM 183 N PHE A 15 2.453 -10.015 -10.012 1.00 61.11 N ATOM 184 CA PHE A 15 3.651 -9.423 -10.595 1.00 4.21 C ATOM 185 C PHE A 15 3.479 -9.213 -12.097 1.00 25.45 C ATOM 186 O PHE A 15 3.410 -8.080 -12.572 1.00 45.10 O ATOM 187 CB PHE A 15 4.867 -10.313 -10.329 1.00 2.04 C ATOM 188 CG PHE A 15 6.164 -9.557 -10.280 1.00 63.30 C ATOM 189 CD1 PHE A 15 6.699 -8.997 -11.429 1.00 74.32 C ATOM 190 CD2 PHE A 15 6.850 -9.407 -9.085 1.00 74.51 C ATOM 191 CE1 PHE A 15 7.892 -8.301 -11.388 1.00 11.11 C ATOM 192 CE2 PHE A 15 8.043 -8.712 -9.038 1.00 11.14 C ATOM 193 CZ PHE A 15 8.565 -8.159 -10.191 1.00 3.05 C ATOM 0 H PHE A 15 2.596 -10.937 -9.601 1.00 61.11 H new ATOM 0 HA PHE A 15 3.811 -8.452 -10.126 1.00 4.21 H new ATOM 0 HB2 PHE A 15 4.725 -10.836 -9.383 1.00 2.04 H new ATOM 0 HB3 PHE A 15 4.928 -11.073 -11.108 1.00 2.04 H new ATOM 0 HD1 PHE A 15 6.177 -9.106 -12.368 1.00 74.32 H new ATOM 0 HD2 PHE A 15 6.447 -9.838 -8.180 1.00 74.51 H new ATOM 0 HE1 PHE A 15 8.297 -7.869 -12.291 1.00 11.11 H new ATOM 0 HE2 PHE A 15 8.567 -8.601 -8.100 1.00 11.14 H new ATOM 0 HZ PHE A 15 9.498 -7.616 -10.156 1.00 3.05 H new ATOM 203 N ARG A 16 3.412 -10.314 -12.838 1.00 33.55 N ATOM 204 CA ARG A 16 3.250 -10.252 -14.285 1.00 73.51 C ATOM 205 C ARG A 16 2.025 -9.424 -14.660 1.00 54.31 C ATOM 206 O ARG A 16 2.051 -8.664 -15.628 1.00 73.10 O ATOM 207 CB ARG A 16 3.123 -11.662 -14.866 1.00 54.23 C ATOM 208 CG ARG A 16 3.242 -11.709 -16.381 1.00 20.12 C ATOM 209 CD ARG A 16 3.178 -13.137 -16.900 1.00 43.13 C ATOM 210 NE ARG A 16 1.885 -13.441 -17.507 1.00 22.51 N ATOM 211 CZ ARG A 16 1.486 -14.672 -17.807 1.00 61.35 C ATOM 212 NH1 ARG A 16 2.275 -15.708 -17.559 1.00 25.15 N ATOM 213 NH2 ARG A 16 0.295 -14.869 -18.358 1.00 11.02 N ATOM 0 H ARG A 16 3.467 -11.260 -12.460 1.00 33.55 H new ATOM 0 HA ARG A 16 4.134 -9.772 -14.704 1.00 73.51 H new ATOM 0 HB2 ARG A 16 3.894 -12.297 -14.429 1.00 54.23 H new ATOM 0 HB3 ARG A 16 2.161 -12.082 -14.572 1.00 54.23 H new ATOM 0 HG2 ARG A 16 2.440 -11.122 -16.829 1.00 20.12 H new ATOM 0 HG3 ARG A 16 4.182 -11.251 -16.688 1.00 20.12 H new ATOM 0 HD2 ARG A 16 3.969 -13.292 -17.634 1.00 43.13 H new ATOM 0 HD3 ARG A 16 3.365 -13.830 -16.079 1.00 43.13 H new ATOM 0 HE ARG A 16 1.254 -12.666 -17.712 1.00 22.51 H new ATOM 0 HH11 ARG A 16 3.192 -15.561 -17.136 1.00 25.15 H new ATOM 0 HH12 ARG A 16 1.965 -16.652 -17.791 1.00 25.15 H new ATOM 0 HH21 ARG A 16 -0.315 -14.075 -18.552 1.00 11.02 H new ATOM 0 HH22 ARG A 16 -0.010 -15.815 -18.588 1.00 11.02 H new ATOM 227 N GLN A 17 0.954 -9.576 -13.887 1.00 61.54 N ATOM 228 CA GLN A 17 -0.281 -8.843 -14.140 1.00 4.01 C ATOM 229 C GLN A 17 -0.027 -7.339 -14.157 1.00 65.34 C ATOM 230 O GLN A 17 -0.238 -6.675 -15.172 1.00 40.31 O ATOM 231 CB GLN A 17 -1.327 -9.183 -13.077 1.00 60.02 C ATOM 232 CG GLN A 17 -2.665 -8.496 -13.299 1.00 61.42 C ATOM 233 CD GLN A 17 -2.672 -7.061 -12.813 1.00 1.42 C ATOM 234 OE1 GLN A 17 -2.643 -6.123 -13.610 1.00 42.22 O ATOM 235 NE2 GLN A 17 -2.711 -6.881 -11.498 1.00 1.03 N ATOM 0 H GLN A 17 0.917 -10.200 -13.081 1.00 61.54 H new ATOM 0 HA GLN A 17 -0.657 -9.141 -15.119 1.00 4.01 H new ATOM 0 HB2 GLN A 17 -1.480 -10.262 -13.062 1.00 60.02 H new ATOM 0 HB3 GLN A 17 -0.942 -8.902 -12.097 1.00 60.02 H new ATOM 0 HG2 GLN A 17 -2.908 -8.517 -14.361 1.00 61.42 H new ATOM 0 HG3 GLN A 17 -3.446 -9.054 -12.782 1.00 61.42 H new ATOM 0 HE21 GLN A 17 -2.734 -7.687 -10.873 1.00 1.03 H new ATOM 0 HE22 GLN A 17 -2.718 -5.937 -11.112 1.00 1.03 H new ATOM 244 N LYS A 18 0.428 -6.808 -13.028 1.00 0.23 N ATOM 245 CA LYS A 18 0.712 -5.382 -12.912 1.00 62.41 C ATOM 246 C LYS A 18 1.610 -4.913 -14.052 1.00 5.41 C ATOM 247 O LYS A 18 1.334 -3.900 -14.697 1.00 60.40 O ATOM 248 CB LYS A 18 1.377 -5.081 -11.567 1.00 64.41 C ATOM 249 CG LYS A 18 0.398 -4.663 -10.484 1.00 71.42 C ATOM 250 CD LYS A 18 0.978 -4.875 -9.096 1.00 11.02 C ATOM 251 CE LYS A 18 -0.116 -5.106 -8.064 1.00 43.31 C ATOM 252 NZ LYS A 18 0.426 -5.674 -6.799 1.00 24.21 N ATOM 0 H LYS A 18 0.608 -7.344 -12.179 1.00 0.23 H new ATOM 0 HA LYS A 18 -0.233 -4.842 -12.971 1.00 62.41 H new ATOM 0 HB2 LYS A 18 1.919 -5.966 -11.233 1.00 64.41 H new ATOM 0 HB3 LYS A 18 2.113 -4.289 -11.705 1.00 64.41 H new ATOM 0 HG2 LYS A 18 0.137 -3.613 -10.614 1.00 71.42 H new ATOM 0 HG3 LYS A 18 -0.524 -5.235 -10.585 1.00 71.42 H new ATOM 0 HD2 LYS A 18 1.653 -5.730 -9.109 1.00 11.02 H new ATOM 0 HD3 LYS A 18 1.570 -4.005 -8.811 1.00 11.02 H new ATOM 0 HE2 LYS A 18 -0.620 -4.163 -7.852 1.00 43.31 H new ATOM 0 HE3 LYS A 18 -0.865 -5.783 -8.474 1.00 43.31 H new ATOM 0 HZ1 LYS A 18 -0.350 -5.817 -6.122 1.00 24.21 H new ATOM 0 HZ2 LYS A 18 0.885 -6.586 -6.997 1.00 24.21 H new ATOM 0 HZ3 LYS A 18 1.122 -5.017 -6.394 1.00 24.21 H new ATOM 266 N LEU A 19 2.685 -5.654 -14.296 1.00 5.12 N ATOM 267 CA LEU A 19 3.624 -5.314 -15.360 1.00 0.04 C ATOM 268 C LEU A 19 2.925 -5.287 -16.715 1.00 34.02 C ATOM 269 O LEU A 19 3.160 -4.394 -17.529 1.00 73.00 O ATOM 270 CB LEU A 19 4.778 -6.318 -15.388 1.00 41.44 C ATOM 271 CG LEU A 19 5.922 -6.053 -14.409 1.00 21.22 C ATOM 272 CD1 LEU A 19 7.057 -5.314 -15.101 1.00 21.25 C ATOM 273 CD2 LEU A 19 5.424 -5.264 -13.207 1.00 55.11 C ATOM 0 H LEU A 19 2.928 -6.494 -13.772 1.00 5.12 H new ATOM 0 HA LEU A 19 4.021 -4.319 -15.157 1.00 0.04 H new ATOM 0 HB2 LEU A 19 4.375 -7.310 -15.185 1.00 41.44 H new ATOM 0 HB3 LEU A 19 5.188 -6.341 -16.398 1.00 41.44 H new ATOM 0 HG LEU A 19 6.302 -7.012 -14.057 1.00 21.22 H new ATOM 0 HD11 LEU A 19 7.862 -5.134 -14.388 1.00 21.25 H new ATOM 0 HD12 LEU A 19 7.432 -5.916 -15.928 1.00 21.25 H new ATOM 0 HD13 LEU A 19 6.691 -4.361 -15.483 1.00 21.25 H new ATOM 0 HD21 LEU A 19 6.252 -5.085 -12.521 1.00 55.11 H new ATOM 0 HD22 LEU A 19 5.017 -4.310 -13.541 1.00 55.11 H new ATOM 0 HD23 LEU A 19 4.646 -5.831 -12.696 1.00 55.11 H new ATOM 285 N VAL A 20 2.062 -6.271 -16.949 1.00 51.25 N ATOM 286 CA VAL A 20 1.325 -6.358 -18.205 1.00 21.34 C ATOM 287 C VAL A 20 0.525 -5.086 -18.462 1.00 32.52 C ATOM 288 O VAL A 20 0.493 -4.577 -19.582 1.00 14.11 O ATOM 289 CB VAL A 20 0.367 -7.564 -18.210 1.00 62.52 C ATOM 290 CG1 VAL A 20 -0.732 -7.368 -19.243 1.00 34.54 C ATOM 291 CG2 VAL A 20 1.134 -8.852 -18.473 1.00 52.24 C ATOM 0 H VAL A 20 1.856 -7.018 -16.286 1.00 51.25 H new ATOM 0 HA VAL A 20 2.063 -6.486 -18.997 1.00 21.34 H new ATOM 0 HB VAL A 20 -0.100 -7.640 -17.228 1.00 62.52 H new ATOM 0 HG11 VAL A 20 -1.399 -8.230 -19.232 1.00 34.54 H new ATOM 0 HG12 VAL A 20 -1.298 -6.468 -19.005 1.00 34.54 H new ATOM 0 HG13 VAL A 20 -0.287 -7.266 -20.233 1.00 34.54 H new ATOM 0 HG21 VAL A 20 0.442 -9.694 -18.473 1.00 52.24 H new ATOM 0 HG22 VAL A 20 1.629 -8.789 -19.442 1.00 52.24 H new ATOM 0 HG23 VAL A 20 1.881 -8.996 -17.692 1.00 52.24 H new ATOM 301 N SER A 21 -0.120 -4.578 -17.417 1.00 32.13 N ATOM 302 CA SER A 21 -0.924 -3.367 -17.530 1.00 0.32 C ATOM 303 C SER A 21 -0.058 -2.175 -17.927 1.00 62.21 C ATOM 304 O SER A 21 -0.446 -1.367 -18.770 1.00 2.20 O ATOM 305 CB SER A 21 -1.635 -3.076 -16.207 1.00 14.00 C ATOM 306 OG SER A 21 -2.161 -4.263 -15.639 1.00 31.10 O ATOM 0 H SER A 21 -0.101 -4.986 -16.482 1.00 32.13 H new ATOM 0 HA SER A 21 -1.670 -3.528 -18.308 1.00 0.32 H new ATOM 0 HB2 SER A 21 -0.937 -2.614 -15.509 1.00 14.00 H new ATOM 0 HB3 SER A 21 -2.440 -2.361 -16.373 1.00 14.00 H new ATOM 0 HG SER A 21 -1.946 -4.291 -14.683 1.00 31.10 H new ATOM 312 N GLN A 22 1.117 -2.075 -17.313 1.00 53.32 N ATOM 313 CA GLN A 22 2.038 -0.982 -17.602 1.00 11.11 C ATOM 314 C GLN A 22 2.391 -0.945 -19.085 1.00 54.32 C ATOM 315 O GLN A 22 2.284 0.097 -19.732 1.00 51.43 O ATOM 316 CB GLN A 22 3.311 -1.126 -16.766 1.00 50.22 C ATOM 317 CG GLN A 22 3.058 -1.126 -15.267 1.00 41.32 C ATOM 318 CD GLN A 22 2.003 -0.119 -14.853 1.00 41.24 C ATOM 319 OE1 GLN A 22 2.157 1.083 -15.071 1.00 12.52 O ATOM 320 NE2 GLN A 22 0.923 -0.605 -14.253 1.00 61.23 N ATOM 0 H GLN A 22 1.453 -2.737 -16.613 1.00 53.32 H new ATOM 0 HA GLN A 22 1.544 -0.046 -17.342 1.00 11.11 H new ATOM 0 HB2 GLN A 22 3.813 -2.053 -17.041 1.00 50.22 H new ATOM 0 HB3 GLN A 22 3.991 -0.310 -17.011 1.00 50.22 H new ATOM 0 HG2 GLN A 22 2.746 -2.123 -14.955 1.00 41.32 H new ATOM 0 HG3 GLN A 22 3.989 -0.906 -14.745 1.00 41.32 H new ATOM 0 HE21 GLN A 22 0.837 -1.609 -14.092 1.00 61.23 H new ATOM 0 HE22 GLN A 22 0.179 0.025 -13.953 1.00 61.23 H new ATOM 329 N ILE A 23 2.811 -2.087 -19.617 1.00 21.40 N ATOM 330 CA ILE A 23 3.179 -2.185 -21.024 1.00 53.11 C ATOM 331 C ILE A 23 2.003 -1.824 -21.926 1.00 20.13 C ATOM 332 O ILE A 23 2.183 -1.229 -22.987 1.00 51.24 O ATOM 333 CB ILE A 23 3.669 -3.600 -21.381 1.00 63.50 C ATOM 334 CG1 ILE A 23 4.995 -3.897 -20.677 1.00 32.34 C ATOM 335 CG2 ILE A 23 3.820 -3.744 -22.888 1.00 63.41 C ATOM 336 CD1 ILE A 23 5.466 -5.324 -20.852 1.00 42.22 C ATOM 0 H ILE A 23 2.905 -2.958 -19.095 1.00 21.40 H new ATOM 0 HA ILE A 23 3.991 -1.476 -21.188 1.00 53.11 H new ATOM 0 HB ILE A 23 2.928 -4.322 -21.039 1.00 63.50 H new ATOM 0 HG12 ILE A 23 5.760 -3.221 -21.060 1.00 32.34 H new ATOM 0 HG13 ILE A 23 4.887 -3.686 -19.613 1.00 32.34 H new ATOM 0 HG21 ILE A 23 4.167 -4.750 -23.124 1.00 63.41 H new ATOM 0 HG22 ILE A 23 2.857 -3.570 -23.368 1.00 63.41 H new ATOM 0 HG23 ILE A 23 4.544 -3.015 -23.252 1.00 63.41 H new ATOM 0 HD11 ILE A 23 6.411 -5.462 -20.327 1.00 42.22 H new ATOM 0 HD12 ILE A 23 4.720 -6.006 -20.443 1.00 42.22 H new ATOM 0 HD13 ILE A 23 5.606 -5.533 -21.912 1.00 42.22 H new ATOM 348 N GLU A 24 0.800 -2.188 -21.494 1.00 15.54 N ATOM 349 CA GLU A 24 -0.406 -1.901 -22.262 1.00 51.31 C ATOM 350 C GLU A 24 -0.722 -0.408 -22.241 1.00 35.01 C ATOM 351 O GLU A 24 -1.292 0.130 -23.191 1.00 3.24 O ATOM 352 CB GLU A 24 -1.592 -2.693 -21.707 1.00 1.50 C ATOM 353 CG GLU A 24 -2.495 -3.270 -22.783 1.00 74.24 C ATOM 354 CD GLU A 24 -3.748 -2.443 -22.999 1.00 61.24 C ATOM 355 OE1 GLU A 24 -4.746 -2.679 -22.286 1.00 45.15 O ATOM 356 OE2 GLU A 24 -3.730 -1.560 -23.882 1.00 2.40 O ATOM 0 H GLU A 24 0.634 -2.682 -20.617 1.00 15.54 H new ATOM 0 HA GLU A 24 -0.229 -2.203 -23.294 1.00 51.31 H new ATOM 0 HB2 GLU A 24 -1.216 -3.506 -21.085 1.00 1.50 H new ATOM 0 HB3 GLU A 24 -2.181 -2.043 -21.060 1.00 1.50 H new ATOM 0 HG2 GLU A 24 -1.942 -3.335 -23.720 1.00 74.24 H new ATOM 0 HG3 GLU A 24 -2.778 -4.286 -22.508 1.00 74.24 H new ATOM 363 N ASP A 25 -0.350 0.254 -21.151 1.00 40.12 N ATOM 364 CA ASP A 25 -0.593 1.685 -21.005 1.00 60.43 C ATOM 365 C ASP A 25 0.339 2.489 -21.906 1.00 71.24 C ATOM 366 O ASP A 25 -0.107 3.338 -22.677 1.00 73.13 O ATOM 367 CB ASP A 25 -0.405 2.109 -19.548 1.00 15.40 C ATOM 368 CG ASP A 25 -0.921 3.510 -19.282 1.00 45.34 C ATOM 369 OD1 ASP A 25 -0.340 4.469 -19.832 1.00 1.52 O ATOM 370 OD2 ASP A 25 -1.904 3.648 -18.524 1.00 62.45 O ATOM 0 H ASP A 25 0.121 -0.177 -20.356 1.00 40.12 H new ATOM 0 HA ASP A 25 -1.621 1.887 -21.304 1.00 60.43 H new ATOM 0 HB2 ASP A 25 -0.923 1.404 -18.898 1.00 15.40 H new ATOM 0 HB3 ASP A 25 0.653 2.060 -19.292 1.00 15.40 H new ATOM 375 N ALA A 26 1.635 2.216 -21.803 1.00 24.25 N ATOM 376 CA ALA A 26 2.630 2.913 -22.608 1.00 72.05 C ATOM 377 C ALA A 26 2.349 2.741 -24.097 1.00 73.33 C ATOM 378 O ALA A 26 2.436 3.695 -24.869 1.00 53.13 O ATOM 379 CB ALA A 26 4.027 2.413 -22.272 1.00 32.11 C ATOM 0 H ALA A 26 2.021 1.516 -21.169 1.00 24.25 H new ATOM 0 HA ALA A 26 2.571 3.976 -22.373 1.00 72.05 H new ATOM 0 HB1 ALA A 26 4.759 2.943 -22.881 1.00 32.11 H new ATOM 0 HB2 ALA A 26 4.234 2.593 -21.217 1.00 32.11 H new ATOM 0 HB3 ALA A 26 4.090 1.344 -22.477 1.00 32.11 H new ATOM 385 N MET A 27 2.012 1.518 -24.494 1.00 30.35 N ATOM 386 CA MET A 27 1.718 1.221 -25.891 1.00 13.42 C ATOM 387 C MET A 27 0.500 2.006 -26.368 1.00 51.31 C ATOM 388 O MET A 27 0.510 2.586 -27.454 1.00 61.33 O ATOM 389 CB MET A 27 1.478 -0.278 -26.077 1.00 34.02 C ATOM 390 CG MET A 27 2.530 -0.960 -26.936 1.00 52.11 C ATOM 391 SD MET A 27 1.862 -2.336 -27.891 1.00 53.31 S ATOM 392 CE MET A 27 0.973 -3.231 -26.619 1.00 42.23 C ATOM 0 H MET A 27 1.936 0.717 -23.868 1.00 30.35 H new ATOM 0 HA MET A 27 2.579 1.520 -26.489 1.00 13.42 H new ATOM 0 HB2 MET A 27 1.453 -0.758 -25.099 1.00 34.02 H new ATOM 0 HB3 MET A 27 0.498 -0.427 -26.530 1.00 34.02 H new ATOM 0 HG2 MET A 27 2.967 -0.229 -27.616 1.00 52.11 H new ATOM 0 HG3 MET A 27 3.335 -1.323 -26.297 1.00 52.11 H new ATOM 0 HE1 MET A 27 0.747 -4.237 -26.972 1.00 42.23 H new ATOM 0 HE2 MET A 27 1.587 -3.292 -25.720 1.00 42.23 H new ATOM 0 HE3 MET A 27 0.044 -2.710 -26.389 1.00 42.23 H new ATOM 402 N ARG A 28 -0.547 2.020 -25.550 1.00 13.40 N ATOM 403 CA ARG A 28 -1.773 2.733 -25.890 1.00 60.00 C ATOM 404 C ARG A 28 -1.471 4.176 -26.285 1.00 73.44 C ATOM 405 O ARG A 28 -1.868 4.633 -27.357 1.00 42.14 O ATOM 406 CB ARG A 28 -2.746 2.709 -24.710 1.00 11.21 C ATOM 407 CG ARG A 28 -3.926 3.653 -24.875 1.00 34.43 C ATOM 408 CD ARG A 28 -5.245 2.948 -24.599 1.00 35.10 C ATOM 409 NE ARG A 28 -6.367 3.882 -24.558 1.00 11.42 N ATOM 410 CZ ARG A 28 -7.577 3.559 -24.115 1.00 50.21 C ATOM 411 NH1 ARG A 28 -7.820 2.331 -23.678 1.00 14.43 N ATOM 412 NH2 ARG A 28 -8.546 4.465 -24.109 1.00 15.22 N ATOM 0 H ARG A 28 -0.571 1.546 -24.647 1.00 13.40 H new ATOM 0 HA ARG A 28 -2.232 2.230 -26.741 1.00 60.00 H new ATOM 0 HB2 ARG A 28 -3.119 1.693 -24.578 1.00 11.21 H new ATOM 0 HB3 ARG A 28 -2.207 2.971 -23.800 1.00 11.21 H new ATOM 0 HG2 ARG A 28 -3.815 4.498 -24.196 1.00 34.43 H new ATOM 0 HG3 ARG A 28 -3.932 4.056 -25.888 1.00 34.43 H new ATOM 0 HD2 ARG A 28 -5.424 2.200 -25.371 1.00 35.10 H new ATOM 0 HD3 ARG A 28 -5.180 2.417 -23.649 1.00 35.10 H new ATOM 0 HE ARG A 28 -6.213 4.835 -24.888 1.00 11.42 H new ATOM 0 HH11 ARG A 28 -7.077 1.632 -23.682 1.00 14.43 H new ATOM 0 HH12 ARG A 28 -8.750 2.085 -23.338 1.00 14.43 H new ATOM 0 HH21 ARG A 28 -8.362 5.410 -24.445 1.00 15.22 H new ATOM 0 HH22 ARG A 28 -9.475 4.216 -23.769 1.00 15.22 H new ATOM 426 N LYS A 29 -0.767 4.888 -25.412 1.00 74.02 N ATOM 427 CA LYS A 29 -0.411 6.278 -25.669 1.00 12.42 C ATOM 428 C LYS A 29 0.692 6.373 -26.718 1.00 24.45 C ATOM 429 O LYS A 29 0.844 7.397 -27.382 1.00 3.32 O ATOM 430 CB LYS A 29 0.042 6.958 -24.374 1.00 75.43 C ATOM 431 CG LYS A 29 -0.650 8.284 -24.109 1.00 65.05 C ATOM 432 CD LYS A 29 0.327 9.329 -23.596 1.00 71.20 C ATOM 433 CE LYS A 29 -0.398 10.554 -23.060 1.00 32.30 C ATOM 434 NZ LYS A 29 0.517 11.453 -22.304 1.00 14.12 N ATOM 0 H LYS A 29 -0.432 4.525 -24.520 1.00 74.02 H new ATOM 0 HA LYS A 29 -1.295 6.788 -26.050 1.00 12.42 H new ATOM 0 HB2 LYS A 29 -0.145 6.286 -23.536 1.00 75.43 H new ATOM 0 HB3 LYS A 29 1.119 7.122 -24.417 1.00 75.43 H new ATOM 0 HG2 LYS A 29 -1.118 8.641 -25.026 1.00 65.05 H new ATOM 0 HG3 LYS A 29 -1.447 8.140 -23.380 1.00 65.05 H new ATOM 0 HD2 LYS A 29 0.944 8.896 -22.808 1.00 71.20 H new ATOM 0 HD3 LYS A 29 1.000 9.626 -24.401 1.00 71.20 H new ATOM 0 HE2 LYS A 29 -0.844 11.104 -23.889 1.00 32.30 H new ATOM 0 HE3 LYS A 29 -1.215 10.238 -22.411 1.00 32.30 H new ATOM 0 HZ1 LYS A 29 -0.015 12.276 -21.955 1.00 14.12 H new ATOM 0 HZ2 LYS A 29 0.924 10.936 -21.498 1.00 14.12 H new ATOM 0 HZ3 LYS A 29 1.282 11.775 -22.930 1.00 14.12 H new ATOM 448 N ALA A 30 1.459 5.297 -26.862 1.00 20.44 N ATOM 449 CA ALA A 30 2.546 5.257 -27.832 1.00 52.41 C ATOM 450 C ALA A 30 2.007 5.163 -29.256 1.00 25.13 C ATOM 451 O ALA A 30 2.674 5.561 -30.210 1.00 25.23 O ATOM 452 CB ALA A 30 3.474 4.088 -27.538 1.00 41.21 C ATOM 0 H ALA A 30 1.347 4.441 -26.319 1.00 20.44 H new ATOM 0 HA ALA A 30 3.111 6.185 -27.746 1.00 52.41 H new ATOM 0 HB1 ALA A 30 4.281 4.071 -28.271 1.00 41.21 H new ATOM 0 HB2 ALA A 30 3.894 4.199 -26.538 1.00 41.21 H new ATOM 0 HB3 ALA A 30 2.913 3.155 -27.594 1.00 41.21 H new ATOM 458 N GLY A 31 0.796 4.632 -29.391 1.00 52.25 N ATOM 459 CA GLY A 31 0.189 4.494 -30.703 1.00 1.25 C ATOM 460 C GLY A 31 0.978 3.574 -31.613 1.00 4.42 C ATOM 461 O GLY A 31 1.695 4.034 -32.502 1.00 1.21 O ATOM 0 H GLY A 31 0.224 4.295 -28.616 1.00 52.25 H new ATOM 0 HA2 GLY A 31 -0.825 4.109 -30.592 1.00 1.25 H new ATOM 0 HA3 GLY A 31 0.107 5.477 -31.167 1.00 1.25 H new ATOM 563 N LYS A 39 -0.856 -8.533 -24.087 1.00 63.34 N ATOM 564 CA LYS A 39 -0.863 -9.830 -23.421 1.00 0.14 C ATOM 565 C LYS A 39 0.136 -10.782 -24.071 1.00 2.43 C ATOM 566 O LYS A 39 0.867 -11.494 -23.382 1.00 70.45 O ATOM 567 CB LYS A 39 -2.266 -10.440 -23.462 1.00 41.03 C ATOM 568 CG LYS A 39 -3.018 -10.326 -22.148 1.00 30.03 C ATOM 569 CD LYS A 39 -4.195 -9.371 -22.259 1.00 64.04 C ATOM 570 CE LYS A 39 -4.837 -9.118 -20.904 1.00 54.44 C ATOM 571 NZ LYS A 39 -5.645 -10.282 -20.447 1.00 23.41 N ATOM 0 HA LYS A 39 -0.570 -9.678 -22.382 1.00 0.14 H new ATOM 0 HB2 LYS A 39 -2.844 -9.949 -24.245 1.00 41.03 H new ATOM 0 HB3 LYS A 39 -2.188 -11.492 -23.736 1.00 41.03 H new ATOM 0 HG2 LYS A 39 -3.375 -11.311 -21.845 1.00 30.03 H new ATOM 0 HG3 LYS A 39 -2.340 -9.979 -21.369 1.00 30.03 H new ATOM 0 HD2 LYS A 39 -3.859 -8.426 -22.686 1.00 64.04 H new ATOM 0 HD3 LYS A 39 -4.937 -9.784 -22.943 1.00 64.04 H new ATOM 0 HE2 LYS A 39 -4.061 -8.904 -20.169 1.00 54.44 H new ATOM 0 HE3 LYS A 39 -5.473 -8.235 -20.963 1.00 54.44 H new ATOM 0 HZ1 LYS A 39 -6.066 -10.070 -19.520 1.00 23.41 H new ATOM 0 HZ2 LYS A 39 -6.401 -10.471 -21.135 1.00 23.41 H new ATOM 0 HZ3 LYS A 39 -5.033 -11.119 -20.366 1.00 23.41 H new ATOM 585 N ASP A 40 0.163 -10.787 -25.399 1.00 3.32 N ATOM 586 CA ASP A 40 1.075 -11.649 -26.142 1.00 21.14 C ATOM 587 C ASP A 40 2.512 -11.152 -26.022 1.00 3.23 C ATOM 588 O ASP A 40 3.455 -11.943 -26.021 1.00 51.13 O ATOM 589 CB ASP A 40 0.665 -11.712 -27.614 1.00 23.52 C ATOM 590 CG ASP A 40 -0.366 -12.791 -27.882 1.00 13.43 C ATOM 591 OD1 ASP A 40 0.013 -13.980 -27.913 1.00 42.31 O ATOM 592 OD2 ASP A 40 -1.553 -12.445 -28.061 1.00 32.20 O ATOM 0 H ASP A 40 -0.436 -10.204 -25.983 1.00 3.32 H new ATOM 0 HA ASP A 40 1.019 -12.650 -25.714 1.00 21.14 H new ATOM 0 HB2 ASP A 40 0.263 -10.746 -27.918 1.00 23.52 H new ATOM 0 HB3 ASP A 40 1.548 -11.897 -28.226 1.00 23.52 H new ATOM 597 N MET A 41 2.671 -9.836 -25.921 1.00 64.24 N ATOM 598 CA MET A 41 3.994 -9.234 -25.801 1.00 10.21 C ATOM 599 C MET A 41 4.638 -9.598 -24.467 1.00 13.32 C ATOM 600 O MET A 41 5.743 -10.138 -24.428 1.00 55.10 O ATOM 601 CB MET A 41 3.899 -7.713 -25.937 1.00 4.11 C ATOM 602 CG MET A 41 4.234 -7.205 -27.330 1.00 24.30 C ATOM 603 SD MET A 41 2.839 -6.386 -28.125 1.00 12.43 S ATOM 604 CE MET A 41 3.689 -5.314 -29.281 1.00 2.23 C ATOM 0 H MET A 41 1.901 -9.167 -25.920 1.00 64.24 H new ATOM 0 HA MET A 41 4.619 -9.625 -26.604 1.00 10.21 H new ATOM 0 HB2 MET A 41 2.889 -7.396 -25.677 1.00 4.11 H new ATOM 0 HB3 MET A 41 4.574 -7.249 -25.218 1.00 4.11 H new ATOM 0 HG2 MET A 41 5.071 -6.509 -27.267 1.00 24.30 H new ATOM 0 HG3 MET A 41 4.560 -8.041 -27.949 1.00 24.30 H new ATOM 0 HE1 MET A 41 2.958 -4.739 -29.849 1.00 2.23 H new ATOM 0 HE2 MET A 41 4.340 -4.632 -28.734 1.00 2.23 H new ATOM 0 HE3 MET A 41 4.287 -5.917 -29.964 1.00 2.23 H new ATOM 614 N GLU A 42 3.939 -9.298 -23.376 1.00 41.42 N ATOM 615 CA GLU A 42 4.445 -9.593 -22.041 1.00 12.13 C ATOM 616 C GLU A 42 4.641 -11.094 -21.853 1.00 64.51 C ATOM 617 O GLU A 42 5.576 -11.530 -21.180 1.00 51.34 O ATOM 618 CB GLU A 42 3.484 -9.056 -20.977 1.00 62.44 C ATOM 619 CG GLU A 42 3.185 -7.573 -21.120 1.00 24.44 C ATOM 620 CD GLU A 42 1.713 -7.295 -21.355 1.00 5.23 C ATOM 621 OE1 GLU A 42 0.928 -8.264 -21.410 1.00 63.52 O ATOM 622 OE2 GLU A 42 1.347 -6.108 -21.483 1.00 71.25 O ATOM 0 H GLU A 42 3.022 -8.851 -23.391 1.00 41.42 H new ATOM 0 HA GLU A 42 5.411 -9.101 -21.930 1.00 12.13 H new ATOM 0 HB2 GLU A 42 2.549 -9.613 -21.030 1.00 62.44 H new ATOM 0 HB3 GLU A 42 3.909 -9.239 -19.990 1.00 62.44 H new ATOM 0 HG2 GLU A 42 3.510 -7.052 -20.219 1.00 24.44 H new ATOM 0 HG3 GLU A 42 3.764 -7.168 -21.949 1.00 24.44 H new ATOM 629 N SER A 43 3.753 -11.881 -22.452 1.00 63.15 N ATOM 630 CA SER A 43 3.826 -13.334 -22.348 1.00 53.24 C ATOM 631 C SER A 43 5.144 -13.854 -22.912 1.00 44.25 C ATOM 632 O SER A 43 5.826 -14.664 -22.283 1.00 52.12 O ATOM 633 CB SER A 43 2.652 -13.978 -23.088 1.00 71.34 C ATOM 634 OG SER A 43 1.563 -14.213 -22.212 1.00 5.11 O ATOM 0 H SER A 43 2.975 -11.537 -23.014 1.00 63.15 H new ATOM 0 HA SER A 43 3.773 -13.601 -21.293 1.00 53.24 H new ATOM 0 HB2 SER A 43 2.333 -13.330 -23.904 1.00 71.34 H new ATOM 0 HB3 SER A 43 2.972 -14.919 -23.535 1.00 71.34 H new ATOM 0 HG SER A 43 0.936 -13.462 -22.261 1.00 5.11 H new ATOM 640 N HIS A 44 5.498 -13.382 -24.104 1.00 4.13 N ATOM 641 CA HIS A 44 6.736 -13.798 -24.754 1.00 31.00 C ATOM 642 C HIS A 44 7.949 -13.397 -23.920 1.00 61.02 C ATOM 643 O HIS A 44 8.900 -14.166 -23.779 1.00 32.32 O ATOM 644 CB HIS A 44 6.836 -13.182 -26.150 1.00 14.02 C ATOM 645 CG HIS A 44 7.920 -13.780 -26.992 1.00 41.42 C ATOM 646 ND1 HIS A 44 8.434 -15.041 -26.774 1.00 50.52 N ATOM 647 CD2 HIS A 44 8.588 -13.282 -28.060 1.00 34.44 C ATOM 648 CE1 HIS A 44 9.372 -15.292 -27.670 1.00 32.31 C ATOM 649 NE2 HIS A 44 9.484 -14.241 -28.462 1.00 62.51 N ATOM 0 H HIS A 44 4.945 -12.712 -24.639 1.00 4.13 H new ATOM 0 HA HIS A 44 6.722 -14.884 -24.845 1.00 31.00 H new ATOM 0 HB2 HIS A 44 5.881 -13.304 -26.661 1.00 14.02 H new ATOM 0 HB3 HIS A 44 7.011 -12.111 -26.054 1.00 14.02 H new ATOM 0 HD2 HIS A 44 8.443 -12.312 -28.511 1.00 34.44 H new ATOM 0 HE1 HIS A 44 9.949 -16.202 -27.742 1.00 32.31 H new ATOM 0 HE2 HIS A 44 10.131 -14.156 -29.246 1.00 62.51 H new ATOM 657 N VAL A 45 7.910 -12.187 -23.371 1.00 32.35 N ATOM 658 CA VAL A 45 9.005 -11.684 -22.551 1.00 25.13 C ATOM 659 C VAL A 45 9.253 -12.589 -21.349 1.00 21.00 C ATOM 660 O VAL A 45 10.396 -12.800 -20.942 1.00 52.00 O ATOM 661 CB VAL A 45 8.723 -10.254 -22.053 1.00 63.11 C ATOM 662 CG1 VAL A 45 9.953 -9.673 -21.372 1.00 42.15 C ATOM 663 CG2 VAL A 45 8.273 -9.369 -23.205 1.00 50.33 C ATOM 0 H VAL A 45 7.131 -11.537 -23.480 1.00 32.35 H new ATOM 0 HA VAL A 45 9.893 -11.672 -23.183 1.00 25.13 H new ATOM 0 HB VAL A 45 7.917 -10.295 -21.320 1.00 63.11 H new ATOM 0 HG11 VAL A 45 9.735 -8.662 -21.027 1.00 42.15 H new ATOM 0 HG12 VAL A 45 10.226 -10.296 -20.520 1.00 42.15 H new ATOM 0 HG13 VAL A 45 10.781 -9.644 -22.080 1.00 42.15 H new ATOM 0 HG21 VAL A 45 8.078 -8.362 -22.836 1.00 50.33 H new ATOM 0 HG22 VAL A 45 9.056 -9.332 -23.963 1.00 50.33 H new ATOM 0 HG23 VAL A 45 7.362 -9.777 -23.643 1.00 50.33 H new ATOM 673 N PHE A 46 8.175 -13.122 -20.785 1.00 34.34 N ATOM 674 CA PHE A 46 8.274 -14.005 -19.628 1.00 62.12 C ATOM 675 C PHE A 46 8.976 -15.309 -19.998 1.00 54.20 C ATOM 676 O PHE A 46 9.993 -15.670 -19.405 1.00 42.41 O ATOM 677 CB PHE A 46 6.883 -14.303 -19.066 1.00 73.11 C ATOM 678 CG PHE A 46 6.905 -14.838 -17.663 1.00 20.51 C ATOM 679 CD1 PHE A 46 6.950 -13.977 -16.579 1.00 41.41 C ATOM 680 CD2 PHE A 46 6.882 -16.204 -17.428 1.00 15.21 C ATOM 681 CE1 PHE A 46 6.970 -14.466 -15.287 1.00 4.05 C ATOM 682 CE2 PHE A 46 6.901 -16.699 -16.138 1.00 2.13 C ATOM 683 CZ PHE A 46 6.947 -15.829 -15.066 1.00 31.12 C ATOM 0 H PHE A 46 7.222 -12.958 -21.110 1.00 34.34 H new ATOM 0 HA PHE A 46 8.865 -13.498 -18.865 1.00 62.12 H new ATOM 0 HB2 PHE A 46 6.288 -13.390 -19.089 1.00 73.11 H new ATOM 0 HB3 PHE A 46 6.385 -15.025 -19.714 1.00 73.11 H new ATOM 0 HD1 PHE A 46 6.970 -12.910 -16.746 1.00 41.41 H new ATOM 0 HD2 PHE A 46 6.849 -16.889 -18.262 1.00 15.21 H new ATOM 0 HE1 PHE A 46 7.004 -13.783 -14.451 1.00 4.05 H new ATOM 0 HE2 PHE A 46 6.880 -17.765 -15.968 1.00 2.13 H new ATOM 0 HZ PHE A 46 6.965 -16.214 -14.057 1.00 31.12 H new ATOM 693 N LEU A 47 8.424 -16.012 -20.981 1.00 43.32 N ATOM 694 CA LEU A 47 8.996 -17.276 -21.431 1.00 73.31 C ATOM 695 C LEU A 47 10.410 -17.075 -21.965 1.00 63.51 C ATOM 696 O LEU A 47 11.187 -18.025 -22.069 1.00 40.05 O ATOM 697 CB LEU A 47 8.114 -17.901 -22.514 1.00 15.43 C ATOM 698 CG LEU A 47 6.962 -18.776 -22.019 1.00 30.52 C ATOM 699 CD1 LEU A 47 5.915 -18.948 -23.109 1.00 23.24 C ATOM 700 CD2 LEU A 47 7.482 -20.130 -21.558 1.00 33.42 C ATOM 0 H LEU A 47 7.582 -15.728 -21.481 1.00 43.32 H new ATOM 0 HA LEU A 47 9.043 -17.950 -20.575 1.00 73.31 H new ATOM 0 HB2 LEU A 47 7.698 -17.099 -23.124 1.00 15.43 H new ATOM 0 HB3 LEU A 47 8.746 -18.503 -23.167 1.00 15.43 H new ATOM 0 HG LEU A 47 6.493 -18.280 -21.169 1.00 30.52 H new ATOM 0 HD11 LEU A 47 5.103 -19.574 -22.738 1.00 23.24 H new ATOM 0 HD12 LEU A 47 5.521 -17.972 -23.392 1.00 23.24 H new ATOM 0 HD13 LEU A 47 6.370 -19.422 -23.979 1.00 23.24 H new ATOM 0 HD21 LEU A 47 6.649 -20.740 -21.209 1.00 33.42 H new ATOM 0 HD22 LEU A 47 7.976 -20.632 -22.390 1.00 33.42 H new ATOM 0 HD23 LEU A 47 8.194 -19.989 -20.745 1.00 33.42 H new ATOM 712 N LYS A 48 10.740 -15.833 -22.300 1.00 54.42 N ATOM 713 CA LYS A 48 12.062 -15.505 -22.820 1.00 52.31 C ATOM 714 C LYS A 48 13.020 -15.152 -21.687 1.00 11.12 C ATOM 715 O LYS A 48 14.217 -15.424 -21.767 1.00 23.25 O ATOM 716 CB LYS A 48 11.970 -14.338 -23.806 1.00 53.02 C ATOM 717 CG LYS A 48 13.322 -13.793 -24.231 1.00 41.50 C ATOM 718 CD LYS A 48 13.259 -13.158 -25.610 1.00 41.41 C ATOM 719 CE LYS A 48 14.555 -12.439 -25.953 1.00 0.25 C ATOM 720 NZ LYS A 48 14.814 -12.430 -27.419 1.00 54.10 N ATOM 0 H LYS A 48 10.109 -15.035 -22.221 1.00 54.42 H new ATOM 0 HA LYS A 48 12.448 -16.382 -23.339 1.00 52.31 H new ATOM 0 HB2 LYS A 48 11.424 -14.664 -24.692 1.00 53.02 H new ATOM 0 HB3 LYS A 48 11.390 -13.534 -23.352 1.00 53.02 H new ATOM 0 HG2 LYS A 48 13.662 -13.055 -23.505 1.00 41.50 H new ATOM 0 HG3 LYS A 48 14.056 -14.599 -24.234 1.00 41.50 H new ATOM 0 HD2 LYS A 48 13.060 -13.927 -26.357 1.00 41.41 H new ATOM 0 HD3 LYS A 48 12.429 -12.453 -25.649 1.00 41.41 H new ATOM 0 HE2 LYS A 48 14.509 -11.414 -25.586 1.00 0.25 H new ATOM 0 HE3 LYS A 48 15.386 -12.924 -25.441 1.00 0.25 H new ATOM 0 HZ1 LYS A 48 15.706 -11.931 -27.611 1.00 54.10 H new ATOM 0 HZ2 LYS A 48 14.883 -13.408 -27.765 1.00 54.10 H new ATOM 0 HZ3 LYS A 48 14.034 -11.945 -27.906 1.00 54.10 H new ATOM 734 N ALA A 49 12.484 -14.546 -20.632 1.00 43.23 N ATOM 735 CA ALA A 49 13.291 -14.159 -19.482 1.00 24.43 C ATOM 736 C ALA A 49 13.677 -15.377 -18.648 1.00 45.33 C ATOM 737 O ALA A 49 12.956 -16.374 -18.616 1.00 23.04 O ATOM 738 CB ALA A 49 12.542 -13.148 -18.627 1.00 31.31 C ATOM 0 H ALA A 49 11.494 -14.313 -20.551 1.00 43.23 H new ATOM 0 HA ALA A 49 14.207 -13.698 -19.851 1.00 24.43 H new ATOM 0 HB1 ALA A 49 13.157 -12.868 -17.772 1.00 31.31 H new ATOM 0 HB2 ALA A 49 12.322 -12.261 -19.221 1.00 31.31 H new ATOM 0 HB3 ALA A 49 11.610 -13.589 -18.275 1.00 31.31 H new ATOM 744 N LYS A 50 14.820 -15.289 -17.976 1.00 21.23 N ATOM 745 CA LYS A 50 15.303 -16.383 -17.141 1.00 51.11 C ATOM 746 C LYS A 50 15.127 -16.057 -15.661 1.00 43.44 C ATOM 747 O LYS A 50 15.034 -16.954 -14.823 1.00 75.24 O ATOM 748 CB LYS A 50 16.776 -16.668 -17.440 1.00 45.21 C ATOM 749 CG LYS A 50 16.993 -17.870 -18.343 1.00 34.24 C ATOM 750 CD LYS A 50 18.114 -17.626 -19.338 1.00 51.44 C ATOM 751 CE LYS A 50 19.080 -18.800 -19.390 1.00 14.42 C ATOM 752 NZ LYS A 50 20.093 -18.732 -18.301 1.00 22.10 N ATOM 0 H LYS A 50 15.429 -14.471 -17.993 1.00 21.23 H new ATOM 0 HA LYS A 50 14.714 -17.270 -17.372 1.00 51.11 H new ATOM 0 HB2 LYS A 50 17.220 -15.789 -17.907 1.00 45.21 H new ATOM 0 HB3 LYS A 50 17.304 -16.830 -16.500 1.00 45.21 H new ATOM 0 HG2 LYS A 50 17.228 -18.744 -17.736 1.00 34.24 H new ATOM 0 HG3 LYS A 50 16.071 -18.094 -18.880 1.00 34.24 H new ATOM 0 HD2 LYS A 50 17.692 -17.457 -20.329 1.00 51.44 H new ATOM 0 HD3 LYS A 50 18.655 -16.720 -19.063 1.00 51.44 H new ATOM 0 HE2 LYS A 50 18.522 -19.733 -19.310 1.00 14.42 H new ATOM 0 HE3 LYS A 50 19.585 -18.812 -20.356 1.00 14.42 H new ATOM 0 HZ1 LYS A 50 20.733 -19.549 -18.370 1.00 22.10 H new ATOM 0 HZ2 LYS A 50 20.642 -17.854 -18.392 1.00 22.10 H new ATOM 0 HZ3 LYS A 50 19.613 -18.746 -17.379 1.00 22.10 H new ATOM 766 N THR A 51 15.082 -14.766 -15.346 1.00 1.11 N ATOM 767 CA THR A 51 14.917 -14.321 -13.968 1.00 24.32 C ATOM 768 C THR A 51 14.098 -13.038 -13.898 1.00 51.23 C ATOM 769 O THR A 51 13.866 -12.382 -14.914 1.00 63.44 O ATOM 770 CB THR A 51 16.279 -14.085 -13.287 1.00 72.21 C ATOM 771 OG1 THR A 51 16.967 -13.006 -13.929 1.00 61.35 O ATOM 772 CG2 THR A 51 17.135 -15.342 -13.339 1.00 13.35 C ATOM 0 H THR A 51 15.158 -14.010 -16.027 1.00 1.11 H new ATOM 0 HA THR A 51 14.388 -15.115 -13.441 1.00 24.32 H new ATOM 0 HB THR A 51 16.099 -13.830 -12.243 1.00 72.21 H new ATOM 0 HG1 THR A 51 17.831 -12.861 -13.489 1.00 61.35 H new ATOM 0 HG21 THR A 51 18.091 -15.151 -12.852 1.00 13.35 H new ATOM 0 HG22 THR A 51 16.621 -16.154 -12.824 1.00 13.35 H new ATOM 0 HG23 THR A 51 17.306 -15.623 -14.378 1.00 13.35 H new ATOM 780 N ARG A 52 13.662 -12.684 -12.694 1.00 2.13 N ATOM 781 CA ARG A 52 12.868 -11.478 -12.492 1.00 73.24 C ATOM 782 C ARG A 52 13.573 -10.258 -13.078 1.00 73.45 C ATOM 783 O ARG A 52 12.928 -9.291 -13.482 1.00 53.35 O ATOM 784 CB ARG A 52 12.602 -11.260 -11.002 1.00 1.32 C ATOM 785 CG ARG A 52 13.817 -10.768 -10.232 1.00 62.52 C ATOM 786 CD ARG A 52 13.572 -10.790 -8.732 1.00 3.15 C ATOM 787 NE ARG A 52 14.779 -10.465 -7.975 1.00 72.53 N ATOM 788 CZ ARG A 52 14.909 -10.682 -6.671 1.00 42.12 C ATOM 789 NH1 ARG A 52 13.913 -11.221 -5.982 1.00 53.24 N ATOM 790 NH2 ARG A 52 16.039 -10.360 -6.054 1.00 14.34 N ATOM 0 H ARG A 52 13.845 -13.215 -11.843 1.00 2.13 H new ATOM 0 HA ARG A 52 11.917 -11.609 -13.008 1.00 73.24 H new ATOM 0 HB2 ARG A 52 11.793 -10.538 -10.888 1.00 1.32 H new ATOM 0 HB3 ARG A 52 12.258 -12.196 -10.562 1.00 1.32 H new ATOM 0 HG2 ARG A 52 14.678 -11.393 -10.470 1.00 62.52 H new ATOM 0 HG3 ARG A 52 14.062 -9.754 -10.547 1.00 62.52 H new ATOM 0 HD2 ARG A 52 12.785 -10.078 -8.483 1.00 3.15 H new ATOM 0 HD3 ARG A 52 13.214 -11.777 -8.438 1.00 3.15 H new ATOM 0 HE ARG A 52 15.564 -10.049 -8.475 1.00 72.53 H new ATOM 0 HH11 ARG A 52 13.043 -11.471 -6.453 1.00 53.24 H new ATOM 0 HH12 ARG A 52 14.016 -11.386 -4.981 1.00 53.24 H new ATOM 0 HH21 ARG A 52 16.808 -9.946 -6.581 1.00 14.34 H new ATOM 0 HH22 ARG A 52 16.139 -10.527 -5.053 1.00 14.34 H new ATOM 804 N ASP A 53 14.899 -10.312 -13.121 1.00 24.12 N ATOM 805 CA ASP A 53 15.692 -9.212 -13.658 1.00 24.32 C ATOM 806 C ASP A 53 15.580 -9.153 -15.178 1.00 23.20 C ATOM 807 O ASP A 53 15.328 -8.093 -15.750 1.00 34.41 O ATOM 808 CB ASP A 53 17.158 -9.364 -13.248 1.00 31.35 C ATOM 809 CG ASP A 53 17.943 -8.079 -13.418 1.00 1.33 C ATOM 810 OD1 ASP A 53 17.427 -7.011 -13.024 1.00 61.42 O ATOM 811 OD2 ASP A 53 19.074 -8.140 -13.943 1.00 51.25 O ATOM 0 H ASP A 53 15.448 -11.106 -12.791 1.00 24.12 H new ATOM 0 HA ASP A 53 15.302 -8.281 -13.246 1.00 24.32 H new ATOM 0 HB2 ASP A 53 17.210 -9.683 -12.207 1.00 31.35 H new ATOM 0 HB3 ASP A 53 17.620 -10.150 -13.846 1.00 31.35 H new ATOM 816 N GLU A 54 15.771 -10.298 -15.825 1.00 62.45 N ATOM 817 CA GLU A 54 15.693 -10.375 -17.280 1.00 23.24 C ATOM 818 C GLU A 54 14.379 -9.788 -17.786 1.00 33.33 C ATOM 819 O GLU A 54 14.369 -8.926 -18.664 1.00 50.42 O ATOM 820 CB GLU A 54 15.829 -11.827 -17.744 1.00 15.12 C ATOM 821 CG GLU A 54 16.094 -11.967 -19.233 1.00 72.53 C ATOM 822 CD GLU A 54 16.815 -13.256 -19.578 1.00 50.14 C ATOM 823 OE1 GLU A 54 17.802 -13.586 -18.888 1.00 33.04 O ATOM 824 OE2 GLU A 54 16.393 -13.934 -20.539 1.00 4.44 O ATOM 0 H GLU A 54 15.981 -11.184 -15.366 1.00 62.45 H new ATOM 0 HA GLU A 54 16.515 -9.791 -17.694 1.00 23.24 H new ATOM 0 HB2 GLU A 54 16.641 -12.301 -17.193 1.00 15.12 H new ATOM 0 HB3 GLU A 54 14.916 -12.367 -17.494 1.00 15.12 H new ATOM 0 HG2 GLU A 54 15.147 -11.929 -19.772 1.00 72.53 H new ATOM 0 HG3 GLU A 54 16.689 -11.120 -19.574 1.00 72.53 H new ATOM 831 N TYR A 55 13.272 -10.263 -17.226 1.00 14.33 N ATOM 832 CA TYR A 55 11.951 -9.788 -17.622 1.00 0.05 C ATOM 833 C TYR A 55 11.801 -8.296 -17.338 1.00 72.45 C ATOM 834 O TYR A 55 11.553 -7.502 -18.246 1.00 55.24 O ATOM 835 CB TYR A 55 10.863 -10.570 -16.885 1.00 33.44 C ATOM 836 CG TYR A 55 9.475 -9.999 -17.070 1.00 62.12 C ATOM 837 CD1 TYR A 55 8.738 -10.271 -18.216 1.00 40.31 C ATOM 838 CD2 TYR A 55 8.901 -9.188 -16.099 1.00 30.22 C ATOM 839 CE1 TYR A 55 7.470 -9.750 -18.390 1.00 64.11 C ATOM 840 CE2 TYR A 55 7.633 -8.664 -16.264 1.00 22.54 C ATOM 841 CZ TYR A 55 6.922 -8.948 -17.411 1.00 43.21 C ATOM 842 OH TYR A 55 5.659 -8.429 -17.580 1.00 2.50 O ATOM 0 H TYR A 55 13.263 -10.976 -16.497 1.00 14.33 H new ATOM 0 HA TYR A 55 11.842 -9.948 -18.695 1.00 0.05 H new ATOM 0 HB2 TYR A 55 10.871 -11.603 -17.233 1.00 33.44 H new ATOM 0 HB3 TYR A 55 11.099 -10.590 -15.821 1.00 33.44 H new ATOM 0 HD1 TYR A 55 9.163 -10.900 -18.984 1.00 40.31 H new ATOM 0 HD2 TYR A 55 9.455 -8.963 -15.200 1.00 30.22 H new ATOM 0 HE1 TYR A 55 6.911 -9.970 -19.288 1.00 64.11 H new ATOM 0 HE2 TYR A 55 7.201 -8.036 -15.499 1.00 22.54 H new ATOM 0 HH TYR A 55 5.122 -8.608 -16.780 1.00 2.50 H new ATOM 852 N LEU A 56 11.954 -7.923 -16.073 1.00 13.02 N ATOM 853 CA LEU A 56 11.836 -6.526 -15.668 1.00 22.54 C ATOM 854 C LEU A 56 12.711 -5.631 -16.539 1.00 23.20 C ATOM 855 O LEU A 56 12.390 -4.465 -16.768 1.00 31.22 O ATOM 856 CB LEU A 56 12.228 -6.367 -14.198 1.00 12.24 C ATOM 857 CG LEU A 56 11.123 -6.637 -13.176 1.00 0.25 C ATOM 858 CD1 LEU A 56 11.711 -7.198 -11.890 1.00 74.31 C ATOM 859 CD2 LEU A 56 10.335 -5.366 -12.893 1.00 43.34 C ATOM 0 H LEU A 56 12.160 -8.568 -15.310 1.00 13.02 H new ATOM 0 HA LEU A 56 10.797 -6.222 -15.796 1.00 22.54 H new ATOM 0 HB2 LEU A 56 13.060 -7.040 -13.990 1.00 12.24 H new ATOM 0 HB3 LEU A 56 12.594 -5.351 -14.048 1.00 12.24 H new ATOM 0 HG LEU A 56 10.442 -7.378 -13.594 1.00 0.25 H new ATOM 0 HD11 LEU A 56 10.910 -7.384 -11.174 1.00 74.31 H new ATOM 0 HD12 LEU A 56 12.230 -8.132 -12.104 1.00 74.31 H new ATOM 0 HD13 LEU A 56 12.415 -6.480 -11.468 1.00 74.31 H new ATOM 0 HD21 LEU A 56 9.553 -5.577 -12.164 1.00 43.34 H new ATOM 0 HD22 LEU A 56 11.005 -4.603 -12.496 1.00 43.34 H new ATOM 0 HD23 LEU A 56 9.882 -5.006 -13.817 1.00 43.34 H new ATOM 871 N SER A 57 13.818 -6.185 -17.024 1.00 72.40 N ATOM 872 CA SER A 57 14.740 -5.437 -17.869 1.00 45.33 C ATOM 873 C SER A 57 14.169 -5.259 -19.273 1.00 0.13 C ATOM 874 O SER A 57 14.043 -4.138 -19.767 1.00 15.30 O ATOM 875 CB SER A 57 16.092 -6.151 -17.943 1.00 55.32 C ATOM 876 OG SER A 57 17.069 -5.331 -18.560 1.00 53.34 O ATOM 0 H SER A 57 14.098 -7.150 -16.846 1.00 72.40 H new ATOM 0 HA SER A 57 14.881 -4.451 -17.425 1.00 45.33 H new ATOM 0 HB2 SER A 57 16.420 -6.420 -16.939 1.00 55.32 H new ATOM 0 HB3 SER A 57 15.986 -7.080 -18.503 1.00 55.32 H new ATOM 0 HG SER A 57 17.924 -5.809 -18.593 1.00 53.34 H new ATOM 882 N LEU A 58 13.825 -6.373 -19.910 1.00 4.30 N ATOM 883 CA LEU A 58 13.267 -6.342 -21.257 1.00 52.03 C ATOM 884 C LEU A 58 11.971 -5.538 -21.291 1.00 40.04 C ATOM 885 O LEU A 58 11.697 -4.822 -22.255 1.00 5.02 O ATOM 886 CB LEU A 58 13.011 -7.765 -21.757 1.00 51.11 C ATOM 887 CG LEU A 58 14.246 -8.651 -21.922 1.00 2.14 C ATOM 888 CD1 LEU A 58 13.878 -9.958 -22.607 1.00 3.32 C ATOM 889 CD2 LEU A 58 15.326 -7.920 -22.707 1.00 32.32 C ATOM 0 H LEU A 58 13.923 -7.308 -19.515 1.00 4.30 H new ATOM 0 HA LEU A 58 13.991 -5.858 -21.913 1.00 52.03 H new ATOM 0 HB2 LEU A 58 12.327 -8.255 -21.064 1.00 51.11 H new ATOM 0 HB3 LEU A 58 12.501 -7.705 -22.718 1.00 51.11 H new ATOM 0 HG LEU A 58 14.639 -8.882 -20.932 1.00 2.14 H new ATOM 0 HD11 LEU A 58 14.770 -10.575 -22.716 1.00 3.32 H new ATOM 0 HD12 LEU A 58 13.140 -10.489 -22.005 1.00 3.32 H new ATOM 0 HD13 LEU A 58 13.460 -9.748 -23.591 1.00 3.32 H new ATOM 0 HD21 LEU A 58 16.198 -8.566 -22.815 1.00 32.32 H new ATOM 0 HD22 LEU A 58 14.944 -7.658 -23.694 1.00 32.32 H new ATOM 0 HD23 LEU A 58 15.611 -7.012 -22.175 1.00 32.32 H new ATOM 901 N VAL A 59 11.177 -5.660 -20.232 1.00 40.33 N ATOM 902 CA VAL A 59 9.911 -4.942 -20.139 1.00 43.12 C ATOM 903 C VAL A 59 10.136 -3.434 -20.108 1.00 34.34 C ATOM 904 O VAL A 59 9.608 -2.700 -20.942 1.00 74.44 O ATOM 905 CB VAL A 59 9.121 -5.359 -18.885 1.00 12.43 C ATOM 906 CG1 VAL A 59 7.835 -4.555 -18.772 1.00 55.54 C ATOM 907 CG2 VAL A 59 8.826 -6.851 -18.913 1.00 12.33 C ATOM 0 H VAL A 59 11.388 -6.249 -19.427 1.00 40.33 H new ATOM 0 HA VAL A 59 9.333 -5.202 -21.026 1.00 43.12 H new ATOM 0 HB VAL A 59 9.731 -5.149 -18.006 1.00 12.43 H new ATOM 0 HG11 VAL A 59 7.290 -4.864 -17.880 1.00 55.54 H new ATOM 0 HG12 VAL A 59 8.074 -3.494 -18.702 1.00 55.54 H new ATOM 0 HG13 VAL A 59 7.218 -4.730 -19.653 1.00 55.54 H new ATOM 0 HG21 VAL A 59 8.267 -7.128 -18.019 1.00 12.33 H new ATOM 0 HG22 VAL A 59 8.236 -7.089 -19.798 1.00 12.33 H new ATOM 0 HG23 VAL A 59 9.763 -7.407 -18.942 1.00 12.33 H new ATOM 917 N ALA A 60 10.923 -2.979 -19.139 1.00 10.13 N ATOM 918 CA ALA A 60 11.220 -1.559 -19.000 1.00 14.45 C ATOM 919 C ALA A 60 11.668 -0.959 -20.328 1.00 1.32 C ATOM 920 O ALA A 60 11.089 0.016 -20.806 1.00 53.35 O ATOM 921 CB ALA A 60 12.285 -1.344 -17.935 1.00 0.23 C ATOM 0 H ALA A 60 11.366 -3.573 -18.439 1.00 10.13 H new ATOM 0 HA ALA A 60 10.306 -1.051 -18.692 1.00 14.45 H new ATOM 0 HB1 ALA A 60 12.497 -0.279 -17.842 1.00 0.23 H new ATOM 0 HB2 ALA A 60 11.927 -1.727 -16.980 1.00 0.23 H new ATOM 0 HB3 ALA A 60 13.196 -1.871 -18.219 1.00 0.23 H new ATOM 927 N ARG A 61 12.703 -1.547 -20.918 1.00 24.10 N ATOM 928 CA ARG A 61 13.231 -1.069 -22.190 1.00 54.04 C ATOM 929 C ARG A 61 12.113 -0.910 -23.217 1.00 14.54 C ATOM 930 O ARG A 61 12.044 0.096 -23.925 1.00 12.25 O ATOM 931 CB ARG A 61 14.292 -2.034 -22.722 1.00 74.11 C ATOM 932 CG ARG A 61 15.681 -1.423 -22.812 1.00 35.22 C ATOM 933 CD ARG A 61 16.750 -2.401 -22.349 1.00 51.54 C ATOM 934 NE ARG A 61 17.880 -1.719 -21.723 1.00 32.40 N ATOM 935 CZ ARG A 61 19.009 -2.330 -21.383 1.00 22.34 C ATOM 936 NH1 ARG A 61 19.158 -3.628 -21.607 1.00 64.45 N ATOM 937 NH2 ARG A 61 19.992 -1.642 -20.817 1.00 25.35 N ATOM 0 H ARG A 61 13.193 -2.356 -20.535 1.00 24.10 H new ATOM 0 HA ARG A 61 13.688 -0.094 -22.021 1.00 54.04 H new ATOM 0 HB2 ARG A 61 14.331 -2.910 -22.075 1.00 74.11 H new ATOM 0 HB3 ARG A 61 13.992 -2.381 -23.711 1.00 74.11 H new ATOM 0 HG2 ARG A 61 15.882 -1.123 -23.840 1.00 35.22 H new ATOM 0 HG3 ARG A 61 15.723 -0.520 -22.202 1.00 35.22 H new ATOM 0 HD2 ARG A 61 16.314 -3.106 -21.641 1.00 51.54 H new ATOM 0 HD3 ARG A 61 17.104 -2.982 -23.201 1.00 51.54 H new ATOM 0 HE ARG A 61 17.797 -0.720 -21.537 1.00 32.40 H new ATOM 0 HH11 ARG A 61 18.404 -4.160 -22.042 1.00 64.45 H new ATOM 0 HH12 ARG A 61 20.026 -4.094 -21.345 1.00 64.45 H new ATOM 0 HH21 ARG A 61 19.881 -0.643 -20.643 1.00 25.35 H new ATOM 0 HH22 ARG A 61 20.859 -2.112 -20.556 1.00 25.35 H new ATOM 951 N LEU A 62 11.239 -1.908 -23.292 1.00 43.31 N ATOM 952 CA LEU A 62 10.124 -1.879 -24.232 1.00 61.11 C ATOM 953 C LEU A 62 9.232 -0.668 -23.982 1.00 13.34 C ATOM 954 O LEU A 62 8.958 0.113 -24.894 1.00 4.24 O ATOM 955 CB LEU A 62 9.302 -3.164 -24.118 1.00 64.43 C ATOM 956 CG LEU A 62 8.027 -3.223 -24.960 1.00 44.34 C ATOM 957 CD1 LEU A 62 7.951 -4.537 -25.722 1.00 53.55 C ATOM 958 CD2 LEU A 62 6.799 -3.042 -24.081 1.00 52.40 C ATOM 0 H LEU A 62 11.281 -2.747 -22.713 1.00 43.31 H new ATOM 0 HA LEU A 62 10.533 -1.804 -25.240 1.00 61.11 H new ATOM 0 HB2 LEU A 62 9.938 -4.004 -24.398 1.00 64.43 H new ATOM 0 HB3 LEU A 62 9.030 -3.306 -23.072 1.00 64.43 H new ATOM 0 HG LEU A 62 8.054 -2.408 -25.684 1.00 44.34 H new ATOM 0 HD11 LEU A 62 7.037 -4.561 -26.316 1.00 53.55 H new ATOM 0 HD12 LEU A 62 8.814 -4.626 -26.381 1.00 53.55 H new ATOM 0 HD13 LEU A 62 7.947 -5.367 -25.016 1.00 53.55 H new ATOM 0 HD21 LEU A 62 5.901 -3.087 -24.697 1.00 52.40 H new ATOM 0 HD22 LEU A 62 6.766 -3.835 -23.334 1.00 52.40 H new ATOM 0 HD23 LEU A 62 6.849 -2.074 -23.581 1.00 52.40 H new ATOM 970 N ILE A 63 8.783 -0.517 -22.740 1.00 53.32 N ATOM 971 CA ILE A 63 7.924 0.601 -22.370 1.00 3.54 C ATOM 972 C ILE A 63 8.605 1.936 -22.656 1.00 70.43 C ATOM 973 O ILE A 63 8.020 2.820 -23.282 1.00 0.42 O ATOM 974 CB ILE A 63 7.538 0.545 -20.880 1.00 31.12 C ATOM 975 CG1 ILE A 63 6.508 -0.561 -20.639 1.00 52.33 C ATOM 976 CG2 ILE A 63 6.995 1.890 -20.422 1.00 4.52 C ATOM 977 CD1 ILE A 63 6.198 -0.790 -19.177 1.00 12.14 C ATOM 0 H ILE A 63 9.000 -1.154 -21.974 1.00 53.32 H new ATOM 0 HA ILE A 63 7.021 0.519 -22.975 1.00 3.54 H new ATOM 0 HB ILE A 63 8.431 0.318 -20.297 1.00 31.12 H new ATOM 0 HG12 ILE A 63 5.586 -0.308 -21.162 1.00 52.33 H new ATOM 0 HG13 ILE A 63 6.876 -1.490 -21.074 1.00 52.33 H new ATOM 0 HG21 ILE A 63 6.727 1.834 -19.367 1.00 4.52 H new ATOM 0 HG22 ILE A 63 7.757 2.657 -20.562 1.00 4.52 H new ATOM 0 HG23 ILE A 63 6.112 2.144 -21.008 1.00 4.52 H new ATOM 0 HD11 ILE A 63 5.461 -1.587 -19.082 1.00 12.14 H new ATOM 0 HD12 ILE A 63 7.110 -1.074 -18.652 1.00 12.14 H new ATOM 0 HD13 ILE A 63 5.799 0.126 -18.742 1.00 12.14 H new ATOM 989 N ILE A 64 9.844 2.072 -22.197 1.00 1.25 N ATOM 990 CA ILE A 64 10.605 3.297 -22.406 1.00 45.33 C ATOM 991 C ILE A 64 10.700 3.639 -23.890 1.00 20.45 C ATOM 992 O ILE A 64 10.477 4.782 -24.290 1.00 63.41 O ATOM 993 CB ILE A 64 12.027 3.183 -21.826 1.00 24.22 C ATOM 994 CG1 ILE A 64 11.972 3.081 -20.300 1.00 62.51 C ATOM 995 CG2 ILE A 64 12.871 4.375 -22.252 1.00 61.10 C ATOM 996 CD1 ILE A 64 12.877 2.009 -19.733 1.00 42.22 C ATOM 0 H ILE A 64 10.342 1.349 -21.678 1.00 1.25 H new ATOM 0 HA ILE A 64 10.071 4.092 -21.885 1.00 45.33 H new ATOM 0 HB ILE A 64 12.491 2.277 -22.216 1.00 24.22 H new ATOM 0 HG12 ILE A 64 12.248 4.043 -19.869 1.00 62.51 H new ATOM 0 HG13 ILE A 64 10.946 2.878 -19.994 1.00 62.51 H new ATOM 0 HG21 ILE A 64 13.873 4.279 -21.834 1.00 61.10 H new ATOM 0 HG22 ILE A 64 12.933 4.407 -23.340 1.00 61.10 H new ATOM 0 HG23 ILE A 64 12.412 5.294 -21.888 1.00 61.10 H new ATOM 0 HD11 ILE A 64 12.787 1.994 -18.647 1.00 42.22 H new ATOM 0 HD12 ILE A 64 12.587 1.038 -20.135 1.00 42.22 H new ATOM 0 HD13 ILE A 64 13.910 2.222 -20.008 1.00 42.22 H new ATOM 1008 N HIS A 65 11.030 2.639 -24.701 1.00 41.13 N ATOM 1009 CA HIS A 65 11.152 2.833 -26.142 1.00 33.41 C ATOM 1010 C HIS A 65 9.846 3.356 -26.732 1.00 34.21 C ATOM 1011 O HIS A 65 9.852 4.148 -27.674 1.00 53.22 O ATOM 1012 CB HIS A 65 11.543 1.521 -26.823 1.00 30.32 C ATOM 1013 CG HIS A 65 12.611 1.680 -27.861 1.00 32.21 C ATOM 1014 ND1 HIS A 65 13.594 0.738 -28.080 1.00 10.12 N ATOM 1015 CD2 HIS A 65 12.845 2.679 -28.744 1.00 22.50 C ATOM 1016 CE1 HIS A 65 14.388 1.151 -29.051 1.00 51.43 C ATOM 1017 NE2 HIS A 65 13.955 2.326 -29.472 1.00 10.20 N ATOM 0 H HIS A 65 11.218 1.687 -24.386 1.00 41.13 H new ATOM 0 HA HIS A 65 11.933 3.573 -26.319 1.00 33.41 H new ATOM 0 HB2 HIS A 65 11.886 0.816 -26.066 1.00 30.32 H new ATOM 0 HB3 HIS A 65 10.659 1.085 -27.287 1.00 30.32 H new ATOM 0 HD2 HIS A 65 12.267 3.584 -28.855 1.00 22.50 H new ATOM 0 HE1 HIS A 65 15.245 0.619 -29.436 1.00 51.43 H new ATOM 0 HE2 HIS A 65 14.377 2.881 -30.217 1.00 10.20 H new ATOM 1025 N PHE A 66 8.727 2.907 -26.172 1.00 22.11 N ATOM 1026 CA PHE A 66 7.413 3.328 -26.644 1.00 3.42 C ATOM 1027 C PHE A 66 7.171 4.802 -26.332 1.00 53.33 C ATOM 1028 O PHE A 66 6.710 5.560 -27.186 1.00 15.33 O ATOM 1029 CB PHE A 66 6.319 2.473 -26.002 1.00 50.00 C ATOM 1030 CG PHE A 66 6.023 1.210 -26.760 1.00 42.50 C ATOM 1031 CD1 PHE A 66 5.624 1.260 -28.086 1.00 11.12 C ATOM 1032 CD2 PHE A 66 6.144 -0.026 -26.146 1.00 50.04 C ATOM 1033 CE1 PHE A 66 5.351 0.100 -28.786 1.00 43.14 C ATOM 1034 CE2 PHE A 66 5.873 -1.189 -26.842 1.00 22.21 C ATOM 1035 CZ PHE A 66 5.475 -1.126 -28.163 1.00 62.11 C ATOM 0 H PHE A 66 8.704 2.252 -25.391 1.00 22.11 H new ATOM 0 HA PHE A 66 7.382 3.193 -27.725 1.00 3.42 H new ATOM 0 HB2 PHE A 66 6.619 2.216 -24.986 1.00 50.00 H new ATOM 0 HB3 PHE A 66 5.406 3.063 -25.925 1.00 50.00 H new ATOM 0 HD1 PHE A 66 5.525 2.216 -28.578 1.00 11.12 H new ATOM 0 HD2 PHE A 66 6.453 -0.081 -25.113 1.00 50.04 H new ATOM 0 HE1 PHE A 66 5.041 0.152 -29.819 1.00 43.14 H new ATOM 0 HE2 PHE A 66 5.972 -2.147 -26.353 1.00 22.21 H new ATOM 0 HZ PHE A 66 5.261 -2.034 -28.708 1.00 62.11 H new