USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 MET CE :methyl 139:sc= -0.776 (180deg=-4.35!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 142:sc= -0.614 (180deg=-2.73) USER MOD Single : A 20 THR OG1 : rot -68:sc= 0.877 USER MOD Single : A 26 GLN : amide:sc= 0.632 K(o=0.63,f=-4.8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.5!) USER MOD Single : A 40 HIS : no HD1:sc= -1.99 K(o=-2,f=-4.9!) USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= -2.14! (180deg=-4.26!) USER MOD Single : A 55 THR OG1 : rot 28:sc= 0.11 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 59 ASN : amide:sc= -1.17 K(o=-1.2,f=-6!) USER MOD Single : A 60 TYR OH : rot 29:sc= 0.334 USER MOD Single : A 64 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.2!) USER MOD Single : A 65 LYS NZ :NH3+ -143:sc= 0.709 (180deg=-0.441) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 9 7.424 -21.274 13.330 1.00 70.11 N ATOM 135 CA GLU A 9 7.323 -21.840 14.675 1.00 32.25 C ATOM 136 C GLU A 9 8.127 -23.144 14.797 1.00 62.54 C ATOM 137 O GLU A 9 7.837 -24.131 14.116 1.00 63.42 O ATOM 138 CB GLU A 9 5.849 -22.100 15.015 1.00 42.33 C ATOM 139 CG GLU A 9 4.991 -20.839 15.075 1.00 43.54 C ATOM 140 CD GLU A 9 5.299 -19.979 16.291 1.00 24.33 C ATOM 141 OE1 GLU A 9 6.208 -19.125 16.213 1.00 33.44 O ATOM 142 OE2 GLU A 9 4.638 -20.165 17.337 1.00 65.32 O ATOM 0 HA GLU A 9 7.742 -21.122 15.379 1.00 32.25 H new ATOM 0 HB2 GLU A 9 5.430 -22.777 14.271 1.00 42.33 H new ATOM 0 HB3 GLU A 9 5.794 -22.610 15.977 1.00 42.33 H new ATOM 0 HG2 GLU A 9 5.150 -20.252 14.170 1.00 43.54 H new ATOM 0 HG3 GLU A 9 3.938 -21.121 15.091 1.00 43.54 H new ATOM 149 N TRP A 10 9.140 -23.136 15.659 1.00 52.41 N ATOM 150 CA TRP A 10 9.958 -24.328 15.909 1.00 25.23 C ATOM 151 C TRP A 10 9.496 -25.033 17.193 1.00 70.44 C ATOM 152 O TRP A 10 9.452 -24.417 18.261 1.00 10.53 O ATOM 153 CB TRP A 10 11.437 -23.940 16.043 1.00 73.25 C ATOM 154 CG TRP A 10 11.945 -23.094 14.910 1.00 21.14 C ATOM 155 CD1 TRP A 10 12.234 -21.760 14.951 1.00 51.12 C ATOM 156 CD2 TRP A 10 12.220 -23.521 13.571 1.00 60.42 C ATOM 157 NE1 TRP A 10 12.669 -21.333 13.721 1.00 43.43 N ATOM 158 CE2 TRP A 10 12.671 -22.394 12.859 1.00 53.13 C ATOM 159 CE3 TRP A 10 12.129 -24.745 12.905 1.00 34.35 C ATOM 160 CZ2 TRP A 10 13.029 -22.454 11.517 1.00 63.31 C ATOM 161 CZ3 TRP A 10 12.487 -24.804 11.574 1.00 61.34 C ATOM 162 CH2 TRP A 10 12.931 -23.666 10.890 1.00 14.32 C ATOM 0 H TRP A 10 9.418 -22.317 16.199 1.00 52.41 H new ATOM 0 HA TRP A 10 9.840 -25.008 15.065 1.00 25.23 H new ATOM 0 HB2 TRP A 10 11.578 -23.400 16.979 1.00 73.25 H new ATOM 0 HB3 TRP A 10 12.037 -24.848 16.104 1.00 73.25 H new ATOM 0 HD1 TRP A 10 12.135 -21.132 15.824 1.00 51.12 H new ATOM 0 HE1 TRP A 10 12.946 -20.379 13.488 1.00 43.43 H new ATOM 0 HE3 TRP A 10 11.785 -25.629 13.422 1.00 34.35 H new ATOM 0 HZ2 TRP A 10 13.372 -21.576 10.989 1.00 63.31 H new ATOM 0 HZ3 TRP A 10 12.424 -25.746 11.050 1.00 61.34 H new ATOM 0 HH2 TRP A 10 13.201 -23.746 9.847 1.00 14.32 H new ATOM 173 N MET A 11 9.148 -26.318 17.093 1.00 42.10 N ATOM 174 CA MET A 11 8.667 -27.078 18.259 1.00 14.43 C ATOM 175 C MET A 11 8.797 -28.599 18.060 1.00 31.43 C ATOM 176 O MET A 11 8.858 -29.087 16.931 1.00 0.51 O ATOM 177 CB MET A 11 7.208 -26.701 18.558 1.00 24.42 C ATOM 178 CG MET A 11 6.261 -26.909 17.383 1.00 3.23 C ATOM 179 SD MET A 11 4.604 -26.261 17.703 1.00 23.14 S ATOM 180 CE MET A 11 4.969 -24.526 17.972 1.00 54.05 C ATOM 0 H MET A 11 9.188 -26.854 16.226 1.00 42.10 H new ATOM 0 HA MET A 11 9.297 -26.813 19.108 1.00 14.43 H new ATOM 0 HB2 MET A 11 6.857 -27.292 19.404 1.00 24.42 H new ATOM 0 HB3 MET A 11 7.169 -25.655 18.862 1.00 24.42 H new ATOM 0 HG2 MET A 11 6.673 -26.423 16.499 1.00 3.23 H new ATOM 0 HG3 MET A 11 6.194 -27.974 17.159 1.00 3.23 H new ATOM 0 HE1 MET A 11 4.209 -23.915 17.486 1.00 54.05 H new ATOM 0 HE2 MET A 11 4.973 -24.317 19.042 1.00 54.05 H new ATOM 0 HE3 MET A 11 5.947 -24.291 17.552 1.00 54.05 H new ATOM 190 N VAL A 12 8.855 -29.339 19.171 1.00 12.54 N ATOM 191 CA VAL A 12 8.924 -30.808 19.128 1.00 4.22 C ATOM 192 C VAL A 12 7.529 -31.424 18.931 1.00 20.50 C ATOM 193 O VAL A 12 6.529 -30.711 18.924 1.00 42.33 O ATOM 194 CB VAL A 12 9.562 -31.387 20.418 1.00 0.11 C ATOM 195 CG1 VAL A 12 10.951 -30.793 20.649 1.00 41.43 C ATOM 196 CG2 VAL A 12 8.655 -31.154 21.626 1.00 22.22 C ATOM 0 H VAL A 12 8.856 -28.948 20.113 1.00 12.54 H new ATOM 0 HA VAL A 12 9.554 -31.069 18.278 1.00 4.22 H new ATOM 0 HB VAL A 12 9.675 -32.463 20.289 1.00 0.11 H new ATOM 0 HG11 VAL A 12 11.380 -31.213 21.559 1.00 41.43 H new ATOM 0 HG12 VAL A 12 11.594 -31.031 19.802 1.00 41.43 H new ATOM 0 HG13 VAL A 12 10.871 -29.711 20.752 1.00 41.43 H new ATOM 0 HG21 VAL A 12 9.124 -31.569 22.518 1.00 22.22 H new ATOM 0 HG22 VAL A 12 8.498 -30.084 21.762 1.00 22.22 H new ATOM 0 HG23 VAL A 12 7.695 -31.643 21.460 1.00 22.22 H new ATOM 206 N GLU A 13 7.464 -32.751 18.801 1.00 73.21 N ATOM 207 CA GLU A 13 6.200 -33.446 18.503 1.00 74.10 C ATOM 208 C GLU A 13 5.094 -33.136 19.534 1.00 61.01 C ATOM 209 O GLU A 13 3.960 -32.828 19.160 1.00 20.54 O ATOM 210 CB GLU A 13 6.434 -34.963 18.408 1.00 41.13 C ATOM 211 CG GLU A 13 5.174 -35.767 18.079 1.00 20.00 C ATOM 212 CD GLU A 13 5.454 -37.244 17.841 1.00 20.40 C ATOM 213 OE1 GLU A 13 5.601 -37.992 18.831 1.00 35.41 O ATOM 214 OE2 GLU A 13 5.523 -37.662 16.667 1.00 55.42 O ATOM 0 H GLU A 13 8.269 -33.370 18.897 1.00 73.21 H new ATOM 0 HA GLU A 13 5.850 -33.073 17.541 1.00 74.10 H new ATOM 0 HB2 GLU A 13 7.187 -35.157 17.644 1.00 41.13 H new ATOM 0 HB3 GLU A 13 6.842 -35.317 19.355 1.00 41.13 H new ATOM 0 HG2 GLU A 13 4.461 -35.666 18.898 1.00 20.00 H new ATOM 0 HG3 GLU A 13 4.702 -35.345 17.192 1.00 20.00 H new ATOM 221 N LYS A 14 5.421 -33.207 20.825 1.00 22.25 N ATOM 222 CA LYS A 14 4.433 -32.960 21.889 1.00 71.30 C ATOM 223 C LYS A 14 3.869 -31.530 21.807 1.00 13.33 C ATOM 224 O LYS A 14 2.676 -31.311 22.005 1.00 3.25 O ATOM 225 CB LYS A 14 5.057 -33.228 23.272 1.00 64.02 C ATOM 226 CG LYS A 14 4.034 -33.396 24.406 1.00 52.35 C ATOM 227 CD LYS A 14 3.610 -32.063 25.028 1.00 22.10 C ATOM 228 CE LYS A 14 4.740 -31.423 25.830 1.00 32.41 C ATOM 229 NZ LYS A 14 4.308 -30.175 26.518 1.00 72.21 N ATOM 0 H LYS A 14 6.357 -33.432 21.163 1.00 22.25 H new ATOM 0 HA LYS A 14 3.601 -33.649 21.746 1.00 71.30 H new ATOM 0 HB2 LYS A 14 5.668 -34.129 23.213 1.00 64.02 H new ATOM 0 HB3 LYS A 14 5.726 -32.405 23.521 1.00 64.02 H new ATOM 0 HG2 LYS A 14 3.152 -33.908 24.020 1.00 52.35 H new ATOM 0 HG3 LYS A 14 4.459 -34.034 25.181 1.00 52.35 H new ATOM 0 HD2 LYS A 14 3.292 -31.380 24.240 1.00 22.10 H new ATOM 0 HD3 LYS A 14 2.750 -32.223 25.678 1.00 22.10 H new ATOM 0 HE2 LYS A 14 5.106 -32.135 26.570 1.00 32.41 H new ATOM 0 HE3 LYS A 14 5.573 -31.198 25.164 1.00 32.41 H new ATOM 0 HZ1 LYS A 14 5.108 -29.777 27.049 1.00 72.21 H new ATOM 0 HZ2 LYS A 14 3.983 -29.484 25.812 1.00 72.21 H new ATOM 0 HZ3 LYS A 14 3.530 -30.391 27.174 1.00 72.21 H new ATOM 243 N ALA A 15 4.726 -30.559 21.511 1.00 62.14 N ATOM 244 CA ALA A 15 4.285 -29.171 21.338 1.00 62.21 C ATOM 245 C ALA A 15 3.561 -28.981 19.995 1.00 33.12 C ATOM 246 O ALA A 15 2.613 -28.197 19.887 1.00 33.35 O ATOM 247 CB ALA A 15 5.479 -28.226 21.438 1.00 35.34 C ATOM 0 H ALA A 15 5.728 -30.702 21.385 1.00 62.14 H new ATOM 0 HA ALA A 15 3.579 -28.936 22.134 1.00 62.21 H new ATOM 0 HB1 ALA A 15 5.141 -27.198 21.308 1.00 35.34 H new ATOM 0 HB2 ALA A 15 5.947 -28.333 22.417 1.00 35.34 H new ATOM 0 HB3 ALA A 15 6.203 -28.471 20.661 1.00 35.34 H new ATOM 253 N LEU A 16 4.005 -29.727 18.989 1.00 22.30 N ATOM 254 CA LEU A 16 3.473 -29.628 17.627 1.00 32.12 C ATOM 255 C LEU A 16 2.021 -30.134 17.555 1.00 2.54 C ATOM 256 O LEU A 16 1.149 -29.472 16.986 1.00 73.05 O ATOM 257 CB LEU A 16 4.396 -30.424 16.677 1.00 51.33 C ATOM 258 CG LEU A 16 4.165 -30.251 15.160 1.00 54.22 C ATOM 259 CD1 LEU A 16 2.971 -31.072 14.671 1.00 45.22 C ATOM 260 CD2 LEU A 16 3.991 -28.774 14.802 1.00 30.13 C ATOM 0 H LEU A 16 4.746 -30.420 19.092 1.00 22.30 H new ATOM 0 HA LEU A 16 3.453 -28.582 17.320 1.00 32.12 H new ATOM 0 HB2 LEU A 16 5.427 -30.146 16.896 1.00 51.33 H new ATOM 0 HB3 LEU A 16 4.294 -31.483 16.916 1.00 51.33 H new ATOM 0 HG LEU A 16 5.052 -30.628 14.650 1.00 54.22 H new ATOM 0 HD11 LEU A 16 2.842 -30.923 13.599 1.00 45.22 H new ATOM 0 HD12 LEU A 16 3.149 -32.128 14.872 1.00 45.22 H new ATOM 0 HD13 LEU A 16 2.070 -30.750 15.193 1.00 45.22 H new ATOM 0 HD21 LEU A 16 3.830 -28.676 13.728 1.00 30.13 H new ATOM 0 HD22 LEU A 16 3.132 -28.369 15.336 1.00 30.13 H new ATOM 0 HD23 LEU A 16 4.888 -28.223 15.086 1.00 30.13 H new ATOM 272 N MET A 17 1.767 -31.308 18.137 1.00 12.30 N ATOM 273 CA MET A 17 0.424 -31.911 18.130 1.00 44.00 C ATOM 274 C MET A 17 -0.633 -30.964 18.730 1.00 50.24 C ATOM 275 O MET A 17 -1.785 -30.938 18.292 1.00 71.22 O ATOM 276 CB MET A 17 0.439 -33.246 18.893 1.00 43.25 C ATOM 277 CG MET A 17 0.811 -33.124 20.365 1.00 72.23 C ATOM 278 SD MET A 17 0.792 -34.710 21.226 1.00 74.03 S ATOM 279 CE MET A 17 2.061 -35.605 20.329 1.00 64.13 C ATOM 0 H MET A 17 2.472 -31.864 18.621 1.00 12.30 H new ATOM 0 HA MET A 17 0.149 -32.093 17.091 1.00 44.00 H new ATOM 0 HB2 MET A 17 -0.546 -33.706 18.816 1.00 43.25 H new ATOM 0 HB3 MET A 17 1.144 -33.921 18.407 1.00 43.25 H new ATOM 0 HG2 MET A 17 1.804 -32.683 20.449 1.00 72.23 H new ATOM 0 HG3 MET A 17 0.117 -32.442 20.855 1.00 72.23 H new ATOM 0 HE1 MET A 17 2.634 -36.218 21.024 1.00 64.13 H new ATOM 0 HE2 MET A 17 1.594 -36.245 19.580 1.00 64.13 H new ATOM 0 HE3 MET A 17 2.727 -34.896 19.836 1.00 64.13 H new ATOM 289 N VAL A 18 -0.223 -30.175 19.720 1.00 42.41 N ATOM 290 CA VAL A 18 -1.117 -29.216 20.377 1.00 22.12 C ATOM 291 C VAL A 18 -1.429 -28.016 19.460 1.00 73.44 C ATOM 292 O VAL A 18 -2.535 -27.468 19.481 1.00 34.14 O ATOM 293 CB VAL A 18 -0.496 -28.703 21.705 1.00 1.34 C ATOM 294 CG1 VAL A 18 -1.464 -27.780 22.444 1.00 11.54 C ATOM 295 CG2 VAL A 18 -0.079 -29.876 22.596 1.00 63.20 C ATOM 0 H VAL A 18 0.728 -30.179 20.089 1.00 42.41 H new ATOM 0 HA VAL A 18 -2.048 -29.740 20.593 1.00 22.12 H new ATOM 0 HB VAL A 18 0.395 -28.126 21.458 1.00 1.34 H new ATOM 0 HG11 VAL A 18 -1.003 -27.436 23.370 1.00 11.54 H new ATOM 0 HG12 VAL A 18 -1.700 -26.922 21.815 1.00 11.54 H new ATOM 0 HG13 VAL A 18 -2.380 -28.323 22.675 1.00 11.54 H new ATOM 0 HG21 VAL A 18 0.354 -29.495 23.521 1.00 63.20 H new ATOM 0 HG22 VAL A 18 -0.953 -30.485 22.828 1.00 63.20 H new ATOM 0 HG23 VAL A 18 0.659 -30.485 22.074 1.00 63.20 H new ATOM 305 N ARG A 19 -0.452 -27.621 18.644 1.00 55.22 N ATOM 306 CA ARG A 19 -0.605 -26.465 17.746 1.00 13.52 C ATOM 307 C ARG A 19 -1.243 -26.849 16.397 1.00 43.34 C ATOM 308 O ARG A 19 -1.681 -25.980 15.641 1.00 2.41 O ATOM 309 CB ARG A 19 0.761 -25.805 17.501 1.00 25.21 C ATOM 310 CG ARG A 19 1.413 -25.248 18.765 1.00 21.03 C ATOM 311 CD ARG A 19 0.579 -24.142 19.397 1.00 23.15 C ATOM 312 NE ARG A 19 0.411 -23.004 18.495 1.00 44.25 N ATOM 313 CZ ARG A 19 -0.571 -22.149 18.563 1.00 61.11 C ATOM 314 NH1 ARG A 19 -1.466 -22.234 19.493 1.00 10.25 N ATOM 315 NH2 ARG A 19 -0.647 -21.188 17.708 1.00 72.15 N ATOM 0 H ARG A 19 0.456 -28.081 18.583 1.00 55.22 H new ATOM 0 HA ARG A 19 -1.277 -25.762 18.239 1.00 13.52 H new ATOM 0 HB2 ARG A 19 1.432 -26.536 17.050 1.00 25.21 H new ATOM 0 HB3 ARG A 19 0.639 -24.997 16.780 1.00 25.21 H new ATOM 0 HG2 ARG A 19 1.553 -26.054 19.486 1.00 21.03 H new ATOM 0 HG3 ARG A 19 2.403 -24.862 18.522 1.00 21.03 H new ATOM 0 HD2 ARG A 19 -0.400 -24.536 19.670 1.00 23.15 H new ATOM 0 HD3 ARG A 19 1.057 -23.808 20.318 1.00 23.15 H new ATOM 0 HE ARG A 19 1.109 -22.870 17.763 1.00 44.25 H new ATOM 0 HH11 ARG A 19 -1.410 -22.978 20.188 1.00 10.25 H new ATOM 0 HH12 ARG A 19 -2.228 -21.557 19.531 1.00 10.25 H new ATOM 0 HH21 ARG A 19 0.061 -21.097 16.979 1.00 72.15 H new ATOM 0 HH22 ARG A 19 -1.415 -20.519 17.760 1.00 72.15 H new ATOM 329 N THR A 20 -1.275 -28.145 16.091 1.00 23.05 N ATOM 330 CA THR A 20 -1.826 -28.634 14.811 1.00 53.42 C ATOM 331 C THR A 20 -3.171 -29.357 14.980 1.00 41.10 C ATOM 332 O THR A 20 -4.002 -29.367 14.067 1.00 25.15 O ATOM 333 CB THR A 20 -0.842 -29.603 14.117 1.00 72.12 C ATOM 334 OG1 THR A 20 -0.509 -30.683 15.006 1.00 34.02 O ATOM 335 CG2 THR A 20 0.430 -28.883 13.683 1.00 33.11 C ATOM 0 H THR A 20 -0.928 -28.881 16.706 1.00 23.05 H new ATOM 0 HA THR A 20 -1.982 -27.745 14.199 1.00 53.42 H new ATOM 0 HB THR A 20 -1.330 -29.999 13.227 1.00 72.12 H new ATOM 0 HG1 THR A 20 0.028 -30.340 15.751 1.00 34.02 H new ATOM 0 HG21 THR A 20 1.102 -29.591 13.198 1.00 33.11 H new ATOM 0 HG22 THR A 20 0.177 -28.086 12.984 1.00 33.11 H new ATOM 0 HG23 THR A 20 0.922 -28.456 14.557 1.00 33.11 H new ATOM 343 N GLY A 21 -3.379 -29.972 16.140 1.00 61.23 N ATOM 344 CA GLY A 21 -4.587 -30.761 16.363 1.00 35.31 C ATOM 345 C GLY A 21 -4.415 -32.227 15.962 1.00 52.11 C ATOM 346 O GLY A 21 -5.387 -32.985 15.898 1.00 41.50 O ATOM 0 H GLY A 21 -2.736 -29.941 16.931 1.00 61.23 H new ATOM 0 HA2 GLY A 21 -4.863 -30.706 17.416 1.00 35.31 H new ATOM 0 HA3 GLY A 21 -5.410 -30.327 15.795 1.00 35.31 H new ATOM 350 N LEU A 22 -3.175 -32.621 15.669 1.00 62.21 N ATOM 351 CA LEU A 22 -2.848 -34.017 15.351 1.00 22.21 C ATOM 352 C LEU A 22 -2.437 -34.790 16.612 1.00 41.14 C ATOM 353 O LEU A 22 -2.131 -34.202 17.645 1.00 12.43 O ATOM 354 CB LEU A 22 -1.714 -34.091 14.306 1.00 14.42 C ATOM 355 CG LEU A 22 -2.121 -33.814 12.842 1.00 11.32 C ATOM 356 CD1 LEU A 22 -2.672 -32.403 12.670 1.00 31.43 C ATOM 357 CD2 LEU A 22 -0.933 -34.046 11.909 1.00 12.42 C ATOM 0 H LEU A 22 -2.374 -31.990 15.645 1.00 62.21 H new ATOM 0 HA LEU A 22 -3.745 -34.476 14.936 1.00 22.21 H new ATOM 0 HB2 LEU A 22 -0.940 -33.377 14.588 1.00 14.42 H new ATOM 0 HB3 LEU A 22 -1.266 -35.083 14.356 1.00 14.42 H new ATOM 0 HG LEU A 22 -2.917 -34.510 12.579 1.00 11.32 H new ATOM 0 HD11 LEU A 22 -2.948 -32.245 11.627 1.00 31.43 H new ATOM 0 HD12 LEU A 22 -3.552 -32.276 13.301 1.00 31.43 H new ATOM 0 HD13 LEU A 22 -1.911 -31.678 12.958 1.00 31.43 H new ATOM 0 HD21 LEU A 22 -1.234 -33.847 10.880 1.00 12.42 H new ATOM 0 HD22 LEU A 22 -0.118 -33.377 12.184 1.00 12.42 H new ATOM 0 HD23 LEU A 22 -0.599 -35.080 11.996 1.00 12.42 H new ATOM 369 N GLY A 23 -2.455 -36.113 16.524 1.00 23.25 N ATOM 370 CA GLY A 23 -1.954 -36.949 17.608 1.00 13.01 C ATOM 371 C GLY A 23 -0.602 -37.560 17.272 1.00 64.12 C ATOM 372 O GLY A 23 -0.206 -37.588 16.103 1.00 43.21 O ATOM 0 H GLY A 23 -2.809 -36.629 15.718 1.00 23.25 H new ATOM 0 HA2 GLY A 23 -1.868 -36.353 18.517 1.00 13.01 H new ATOM 0 HA3 GLY A 23 -2.671 -37.744 17.815 1.00 13.01 H new ATOM 376 N ALA A 24 0.112 -38.051 18.285 1.00 43.41 N ATOM 377 CA ALA A 24 1.426 -38.679 18.079 1.00 35.43 C ATOM 378 C ALA A 24 1.369 -39.760 16.987 1.00 44.42 C ATOM 379 O ALA A 24 2.256 -39.848 16.140 1.00 25.22 O ATOM 380 CB ALA A 24 1.939 -39.270 19.389 1.00 23.32 C ATOM 0 H ALA A 24 -0.194 -38.028 19.258 1.00 43.41 H new ATOM 0 HA ALA A 24 2.118 -37.907 17.743 1.00 35.43 H new ATOM 0 HB1 ALA A 24 2.912 -39.732 19.223 1.00 23.32 H new ATOM 0 HB2 ALA A 24 2.035 -38.479 20.132 1.00 23.32 H new ATOM 0 HB3 ALA A 24 1.237 -40.022 19.748 1.00 23.32 H new ATOM 386 N ARG A 25 0.302 -40.563 17.003 1.00 54.24 N ATOM 387 CA ARG A 25 0.084 -41.604 15.983 1.00 1.43 C ATOM 388 C ARG A 25 0.069 -41.021 14.556 1.00 44.42 C ATOM 389 O ARG A 25 0.575 -41.635 13.617 1.00 72.14 O ATOM 390 CB ARG A 25 -1.234 -42.342 16.259 1.00 71.22 C ATOM 391 CG ARG A 25 -1.227 -43.149 17.555 1.00 31.23 C ATOM 392 CD ARG A 25 -2.587 -43.772 17.851 1.00 50.12 C ATOM 393 NE ARG A 25 -3.610 -42.762 18.120 1.00 34.32 N ATOM 394 CZ ARG A 25 -4.761 -43.014 18.684 1.00 53.41 C ATOM 395 NH1 ARG A 25 -5.069 -44.215 19.060 1.00 63.55 N ATOM 396 NH2 ARG A 25 -5.603 -42.055 18.883 1.00 42.13 N ATOM 0 H ARG A 25 -0.430 -40.515 17.712 1.00 54.24 H new ATOM 0 HA ARG A 25 0.918 -42.303 16.045 1.00 1.43 H new ATOM 0 HB2 ARG A 25 -2.045 -41.615 16.299 1.00 71.22 H new ATOM 0 HB3 ARG A 25 -1.446 -43.012 15.426 1.00 71.22 H new ATOM 0 HG2 ARG A 25 -0.476 -43.936 17.487 1.00 31.23 H new ATOM 0 HG3 ARG A 25 -0.937 -42.502 18.383 1.00 31.23 H new ATOM 0 HD2 ARG A 25 -2.897 -44.384 17.004 1.00 50.12 H new ATOM 0 HD3 ARG A 25 -2.501 -44.437 18.710 1.00 50.12 H new ATOM 0 HE ARG A 25 -3.412 -41.799 17.850 1.00 34.32 H new ATOM 0 HH11 ARG A 25 -4.409 -44.979 18.917 1.00 63.55 H new ATOM 0 HH12 ARG A 25 -5.972 -44.396 19.499 1.00 63.55 H new ATOM 0 HH21 ARG A 25 -5.369 -41.104 18.600 1.00 42.13 H new ATOM 0 HH22 ARG A 25 -6.502 -42.249 19.323 1.00 42.13 H new ATOM 410 N GLN A 26 -0.509 -39.830 14.405 1.00 70.10 N ATOM 411 CA GLN A 26 -0.567 -39.154 13.103 1.00 11.34 C ATOM 412 C GLN A 26 0.804 -38.585 12.709 1.00 21.22 C ATOM 413 O GLN A 26 1.265 -38.764 11.581 1.00 23.24 O ATOM 414 CB GLN A 26 -1.604 -38.022 13.136 1.00 31.13 C ATOM 415 CG GLN A 26 -3.041 -38.494 13.346 1.00 1.53 C ATOM 416 CD GLN A 26 -4.018 -37.336 13.474 1.00 14.43 C ATOM 417 OE1 GLN A 26 -4.289 -36.854 14.569 1.00 23.22 O ATOM 418 NE2 GLN A 26 -4.545 -36.870 12.359 1.00 34.15 N ATOM 0 H GLN A 26 -0.945 -39.310 15.167 1.00 70.10 H new ATOM 0 HA GLN A 26 -0.861 -39.894 12.358 1.00 11.34 H new ATOM 0 HB2 GLN A 26 -1.342 -37.327 13.934 1.00 31.13 H new ATOM 0 HB3 GLN A 26 -1.549 -37.467 12.199 1.00 31.13 H new ATOM 0 HG2 GLN A 26 -3.339 -39.126 12.510 1.00 1.53 H new ATOM 0 HG3 GLN A 26 -3.091 -39.109 14.244 1.00 1.53 H new ATOM 0 HE21 GLN A 26 -4.300 -37.292 11.464 1.00 34.15 H new ATOM 0 HE22 GLN A 26 -5.198 -36.087 12.392 1.00 34.15 H new ATOM 427 N ILE A 27 1.458 -37.909 13.650 1.00 40.31 N ATOM 428 CA ILE A 27 2.744 -37.260 13.377 1.00 5.01 C ATOM 429 C ILE A 27 3.839 -38.288 13.036 1.00 52.53 C ATOM 430 O ILE A 27 4.574 -38.118 12.059 1.00 54.34 O ATOM 431 CB ILE A 27 3.196 -36.383 14.571 1.00 72.12 C ATOM 432 CG1 ILE A 27 2.098 -35.361 14.922 1.00 71.42 C ATOM 433 CG2 ILE A 27 4.513 -35.669 14.249 1.00 24.03 C ATOM 434 CD1 ILE A 27 2.433 -34.480 16.108 1.00 4.10 C ATOM 0 H ILE A 27 1.123 -37.795 14.606 1.00 40.31 H new ATOM 0 HA ILE A 27 2.596 -36.618 12.509 1.00 5.01 H new ATOM 0 HB ILE A 27 3.362 -37.028 15.434 1.00 72.12 H new ATOM 0 HG12 ILE A 27 1.913 -34.729 14.053 1.00 71.42 H new ATOM 0 HG13 ILE A 27 1.171 -35.896 15.130 1.00 71.42 H new ATOM 0 HG21 ILE A 27 4.813 -35.058 15.100 1.00 24.03 H new ATOM 0 HG22 ILE A 27 5.287 -36.408 14.042 1.00 24.03 H new ATOM 0 HG23 ILE A 27 4.377 -35.032 13.375 1.00 24.03 H new ATOM 0 HD11 ILE A 27 1.611 -33.788 16.291 1.00 4.10 H new ATOM 0 HD12 ILE A 27 2.588 -35.101 16.990 1.00 4.10 H new ATOM 0 HD13 ILE A 27 3.342 -33.916 15.897 1.00 4.10 H new ATOM 446 N GLU A 28 3.944 -39.356 13.830 1.00 24.45 N ATOM 447 CA GLU A 28 4.907 -40.430 13.549 1.00 24.00 C ATOM 448 C GLU A 28 4.641 -41.063 12.176 1.00 14.24 C ATOM 449 O GLU A 28 5.573 -41.410 11.450 1.00 22.03 O ATOM 450 CB GLU A 28 4.876 -41.512 14.642 1.00 15.33 C ATOM 451 CG GLU A 28 3.546 -42.248 14.757 1.00 31.41 C ATOM 452 CD GLU A 28 3.567 -43.352 15.802 1.00 70.41 C ATOM 453 OE1 GLU A 28 3.976 -43.087 16.950 1.00 63.25 O ATOM 454 OE2 GLU A 28 3.159 -44.493 15.487 1.00 61.24 O ATOM 0 H GLU A 28 3.380 -39.502 14.667 1.00 24.45 H new ATOM 0 HA GLU A 28 5.900 -39.980 13.540 1.00 24.00 H new ATOM 0 HB2 GLU A 28 5.664 -42.238 14.441 1.00 15.33 H new ATOM 0 HB3 GLU A 28 5.106 -41.049 15.602 1.00 15.33 H new ATOM 0 HG2 GLU A 28 2.762 -41.533 15.007 1.00 31.41 H new ATOM 0 HG3 GLU A 28 3.289 -42.677 13.788 1.00 31.41 H new ATOM 461 N SER A 29 3.360 -41.197 11.820 1.00 74.10 N ATOM 462 CA SER A 29 2.966 -41.710 10.500 1.00 32.11 C ATOM 463 C SER A 29 3.577 -40.861 9.381 1.00 54.45 C ATOM 464 O SER A 29 4.035 -41.382 8.362 1.00 35.24 O ATOM 465 CB SER A 29 1.436 -41.727 10.363 1.00 21.24 C ATOM 466 OG SER A 29 1.029 -42.202 9.086 1.00 10.23 O ATOM 0 H SER A 29 2.576 -40.958 12.427 1.00 74.10 H new ATOM 0 HA SER A 29 3.342 -42.729 10.411 1.00 32.11 H new ATOM 0 HB2 SER A 29 1.008 -42.360 11.140 1.00 21.24 H new ATOM 0 HB3 SER A 29 1.045 -40.722 10.519 1.00 21.24 H new ATOM 0 HG SER A 29 0.050 -42.201 9.033 1.00 10.23 H new ATOM 472 N TYR A 30 3.597 -39.546 9.584 1.00 43.13 N ATOM 473 CA TYR A 30 4.202 -38.625 8.620 1.00 31.44 C ATOM 474 C TYR A 30 5.731 -38.569 8.773 1.00 21.30 C ATOM 475 O TYR A 30 6.449 -38.281 7.812 1.00 53.34 O ATOM 476 CB TYR A 30 3.590 -37.228 8.766 1.00 72.40 C ATOM 477 CG TYR A 30 2.106 -37.194 8.442 1.00 34.01 C ATOM 478 CD1 TYR A 30 1.633 -37.721 7.245 1.00 10.14 C ATOM 479 CD2 TYR A 30 1.181 -36.651 9.330 1.00 51.13 C ATOM 480 CE1 TYR A 30 0.287 -37.708 6.942 1.00 21.33 C ATOM 481 CE2 TYR A 30 -0.169 -36.637 9.033 1.00 23.03 C ATOM 482 CZ TYR A 30 -0.610 -37.167 7.837 1.00 44.03 C ATOM 483 OH TYR A 30 -1.954 -37.164 7.537 1.00 21.12 O ATOM 0 H TYR A 30 3.201 -39.092 10.407 1.00 43.13 H new ATOM 0 HA TYR A 30 3.989 -39.000 7.619 1.00 31.44 H new ATOM 0 HB2 TYR A 30 3.742 -36.876 9.786 1.00 72.40 H new ATOM 0 HB3 TYR A 30 4.116 -36.536 8.108 1.00 72.40 H new ATOM 0 HD1 TYR A 30 2.331 -38.148 6.540 1.00 10.14 H new ATOM 0 HD2 TYR A 30 1.524 -36.234 10.266 1.00 51.13 H new ATOM 0 HE1 TYR A 30 -0.062 -38.120 6.007 1.00 21.33 H new ATOM 0 HE2 TYR A 30 -0.875 -36.214 9.733 1.00 23.03 H new ATOM 0 HH TYR A 30 -2.452 -36.748 8.271 1.00 21.12 H new ATOM 493 N ARG A 31 6.231 -38.856 9.976 1.00 31.03 N ATOM 494 CA ARG A 31 7.680 -38.947 10.203 1.00 51.00 C ATOM 495 C ARG A 31 8.285 -40.147 9.453 1.00 73.33 C ATOM 496 O ARG A 31 9.494 -40.210 9.237 1.00 74.33 O ATOM 497 CB ARG A 31 8.004 -39.038 11.708 1.00 50.41 C ATOM 498 CG ARG A 31 7.831 -37.716 12.458 1.00 52.34 C ATOM 499 CD ARG A 31 8.438 -37.763 13.862 1.00 3.11 C ATOM 500 NE ARG A 31 7.560 -38.399 14.848 1.00 35.53 N ATOM 501 CZ ARG A 31 7.875 -39.451 15.558 1.00 11.33 C ATOM 502 NH1 ARG A 31 8.977 -40.094 15.337 1.00 2.01 N ATOM 503 NH2 ARG A 31 7.072 -39.858 16.489 1.00 4.40 N ATOM 0 H ARG A 31 5.662 -39.029 10.804 1.00 31.03 H new ATOM 0 HA ARG A 31 8.130 -38.035 9.811 1.00 51.00 H new ATOM 0 HB2 ARG A 31 7.360 -39.790 12.164 1.00 50.41 H new ATOM 0 HB3 ARG A 31 9.031 -39.382 11.829 1.00 50.41 H new ATOM 0 HG2 ARG A 31 8.299 -36.913 11.888 1.00 52.34 H new ATOM 0 HG3 ARG A 31 6.770 -37.478 12.531 1.00 52.34 H new ATOM 0 HD2 ARG A 31 9.384 -38.304 13.824 1.00 3.11 H new ATOM 0 HD3 ARG A 31 8.664 -36.748 14.188 1.00 3.11 H new ATOM 0 HE ARG A 31 6.636 -37.991 14.991 1.00 35.53 H new ATOM 0 HH11 ARG A 31 9.611 -39.781 14.602 1.00 2.01 H new ATOM 0 HH12 ARG A 31 9.211 -40.913 15.898 1.00 2.01 H new ATOM 0 HH21 ARG A 31 6.200 -39.359 16.665 1.00 4.40 H new ATOM 0 HH22 ARG A 31 7.311 -40.678 17.047 1.00 4.40 H new ATOM 517 N GLN A 32 7.434 -41.092 9.054 1.00 35.51 N ATOM 518 CA GLN A 32 7.873 -42.260 8.281 1.00 73.22 C ATOM 519 C GLN A 32 8.352 -41.879 6.866 1.00 64.53 C ATOM 520 O GLN A 32 9.131 -42.610 6.253 1.00 50.03 O ATOM 521 CB GLN A 32 6.736 -43.288 8.189 1.00 10.23 C ATOM 522 CG GLN A 32 6.350 -43.903 9.530 1.00 74.23 C ATOM 523 CD GLN A 32 5.237 -44.935 9.408 1.00 23.53 C ATOM 524 OE1 GLN A 32 4.056 -44.618 9.518 1.00 44.20 O ATOM 525 NE2 GLN A 32 5.602 -46.176 9.161 1.00 13.40 N ATOM 0 H GLN A 32 6.434 -41.074 9.253 1.00 35.51 H new ATOM 0 HA GLN A 32 8.723 -42.695 8.807 1.00 73.22 H new ATOM 0 HB2 GLN A 32 5.859 -42.808 7.755 1.00 10.23 H new ATOM 0 HB3 GLN A 32 7.034 -44.085 7.507 1.00 10.23 H new ATOM 0 HG2 GLN A 32 7.227 -44.373 9.975 1.00 74.23 H new ATOM 0 HG3 GLN A 32 6.033 -43.112 10.209 1.00 74.23 H new ATOM 0 HE21 GLN A 32 6.591 -46.409 9.075 1.00 13.40 H new ATOM 0 HE22 GLN A 32 4.895 -46.904 9.056 1.00 13.40 H new ATOM 534 N GLY A 33 7.896 -40.733 6.351 1.00 61.30 N ATOM 535 CA GLY A 33 8.271 -40.332 4.995 1.00 2.15 C ATOM 536 C GLY A 33 8.012 -38.858 4.681 1.00 73.23 C ATOM 537 O GLY A 33 8.907 -38.158 4.202 1.00 3.02 O ATOM 0 H GLY A 33 7.282 -40.082 6.840 1.00 61.30 H new ATOM 0 HA2 GLY A 33 9.330 -40.543 4.846 1.00 2.15 H new ATOM 0 HA3 GLY A 33 7.721 -40.946 4.282 1.00 2.15 H new ATOM 541 N ALA A 34 6.785 -38.391 4.931 1.00 72.30 N ATOM 542 CA ALA A 34 6.385 -37.005 4.618 1.00 34.32 C ATOM 543 C ALA A 34 7.374 -35.963 5.173 1.00 44.42 C ATOM 544 O ALA A 34 7.636 -34.934 4.543 1.00 72.50 O ATOM 545 CB ALA A 34 4.977 -36.736 5.146 1.00 64.14 C ATOM 0 H ALA A 34 6.044 -38.952 5.351 1.00 72.30 H new ATOM 0 HA ALA A 34 6.395 -36.903 3.533 1.00 34.32 H new ATOM 0 HB1 ALA A 34 4.690 -35.711 4.911 1.00 64.14 H new ATOM 0 HB2 ALA A 34 4.275 -37.426 4.678 1.00 64.14 H new ATOM 0 HB3 ALA A 34 4.960 -36.879 6.227 1.00 64.14 H new ATOM 551 N TRP A 35 7.917 -36.228 6.356 1.00 15.22 N ATOM 552 CA TRP A 35 8.922 -35.347 6.952 1.00 23.35 C ATOM 553 C TRP A 35 10.267 -35.469 6.212 1.00 63.35 C ATOM 554 O TRP A 35 10.992 -36.452 6.371 1.00 65.31 O ATOM 555 CB TRP A 35 9.102 -35.679 8.442 1.00 5.11 C ATOM 556 CG TRP A 35 8.112 -35.018 9.377 1.00 14.51 C ATOM 557 CD1 TRP A 35 8.331 -34.737 10.695 1.00 13.00 C ATOM 558 CD2 TRP A 35 6.777 -34.546 9.090 1.00 44.31 C ATOM 559 NE1 TRP A 35 7.225 -34.143 11.247 1.00 25.23 N ATOM 560 CE2 TRP A 35 6.262 -34.010 10.286 1.00 25.50 C ATOM 561 CE3 TRP A 35 5.965 -34.524 7.950 1.00 3.24 C ATOM 562 CZ2 TRP A 35 4.983 -33.465 10.374 1.00 15.30 C ATOM 563 CZ3 TRP A 35 4.697 -33.980 8.038 1.00 30.33 C ATOM 564 CH2 TRP A 35 4.217 -33.457 9.244 1.00 35.21 C ATOM 0 H TRP A 35 7.681 -37.043 6.922 1.00 15.22 H new ATOM 0 HA TRP A 35 8.574 -34.318 6.859 1.00 23.35 H new ATOM 0 HB2 TRP A 35 9.030 -36.759 8.568 1.00 5.11 H new ATOM 0 HB3 TRP A 35 10.109 -35.390 8.743 1.00 5.11 H new ATOM 0 HD1 TRP A 35 9.246 -34.952 11.227 1.00 13.00 H new ATOM 0 HE1 TRP A 35 7.135 -33.848 12.219 1.00 25.23 H new ATOM 0 HE3 TRP A 35 6.324 -34.927 7.014 1.00 3.24 H new ATOM 0 HZ2 TRP A 35 4.610 -33.063 11.304 1.00 15.30 H new ATOM 0 HZ3 TRP A 35 4.066 -33.958 7.161 1.00 30.33 H new ATOM 0 HH2 TRP A 35 3.222 -33.039 9.281 1.00 35.21 H new ATOM 575 N ILE A 36 10.581 -34.466 5.395 1.00 11.12 N ATOM 576 CA ILE A 36 11.853 -34.422 4.664 1.00 32.33 C ATOM 577 C ILE A 36 12.896 -33.592 5.429 1.00 45.33 C ATOM 578 O ILE A 36 12.575 -32.528 5.973 1.00 32.34 O ATOM 579 CB ILE A 36 11.659 -33.815 3.250 1.00 31.12 C ATOM 580 CG1 ILE A 36 10.575 -34.587 2.476 1.00 72.43 C ATOM 581 CG2 ILE A 36 12.978 -33.810 2.476 1.00 14.13 C ATOM 582 CD1 ILE A 36 10.256 -34.001 1.113 1.00 60.13 C ATOM 0 H ILE A 36 9.971 -33.667 5.220 1.00 11.12 H new ATOM 0 HA ILE A 36 12.209 -35.448 4.568 1.00 32.33 H new ATOM 0 HB ILE A 36 11.330 -32.782 3.363 1.00 31.12 H new ATOM 0 HG12 ILE A 36 10.899 -35.620 2.349 1.00 72.43 H new ATOM 0 HG13 ILE A 36 9.663 -34.610 3.073 1.00 72.43 H new ATOM 0 HG21 ILE A 36 12.818 -33.380 1.487 1.00 14.13 H new ATOM 0 HG22 ILE A 36 13.714 -33.215 3.016 1.00 14.13 H new ATOM 0 HG23 ILE A 36 13.343 -34.832 2.372 1.00 14.13 H new ATOM 0 HD11 ILE A 36 9.484 -34.601 0.631 1.00 60.13 H new ATOM 0 HD12 ILE A 36 9.900 -32.978 1.231 1.00 60.13 H new ATOM 0 HD13 ILE A 36 11.155 -34.003 0.497 1.00 60.13 H new ATOM 594 N GLU A 37 14.140 -34.077 5.465 1.00 53.33 N ATOM 595 CA GLU A 37 15.230 -33.394 6.180 1.00 61.03 C ATOM 596 C GLU A 37 15.439 -31.956 5.670 1.00 34.41 C ATOM 597 O GLU A 37 15.455 -31.705 4.463 1.00 34.34 O ATOM 598 CB GLU A 37 16.536 -34.195 6.046 1.00 11.21 C ATOM 599 CG GLU A 37 16.968 -34.441 4.605 1.00 44.15 C ATOM 600 CD GLU A 37 18.360 -35.047 4.506 1.00 52.44 C ATOM 601 OE1 GLU A 37 18.483 -36.290 4.515 1.00 1.51 O ATOM 602 OE2 GLU A 37 19.341 -34.277 4.420 1.00 72.41 O ATOM 0 H GLU A 37 14.422 -34.943 5.006 1.00 53.33 H new ATOM 0 HA GLU A 37 14.946 -33.335 7.231 1.00 61.03 H new ATOM 0 HB2 GLU A 37 17.332 -33.663 6.567 1.00 11.21 H new ATOM 0 HB3 GLU A 37 16.414 -35.155 6.547 1.00 11.21 H new ATOM 0 HG2 GLU A 37 16.251 -35.106 4.123 1.00 44.15 H new ATOM 0 HG3 GLU A 37 16.946 -33.499 4.057 1.00 44.15 H new ATOM 609 N GLY A 38 15.582 -31.013 6.596 1.00 32.13 N ATOM 610 CA GLY A 38 15.766 -29.610 6.233 1.00 10.52 C ATOM 611 C GLY A 38 14.473 -28.901 5.823 1.00 53.25 C ATOM 612 O GLY A 38 14.291 -27.715 6.105 1.00 3.30 O ATOM 0 H GLY A 38 15.574 -31.193 7.600 1.00 32.13 H new ATOM 0 HA2 GLY A 38 16.207 -29.081 7.078 1.00 10.52 H new ATOM 0 HA3 GLY A 38 16.479 -29.548 5.411 1.00 10.52 H new ATOM 616 N VAL A 39 13.580 -29.623 5.147 1.00 43.11 N ATOM 617 CA VAL A 39 12.336 -29.041 4.632 1.00 44.15 C ATOM 618 C VAL A 39 11.217 -29.017 5.693 1.00 51.33 C ATOM 619 O VAL A 39 10.611 -27.978 5.940 1.00 0.54 O ATOM 620 CB VAL A 39 11.838 -29.813 3.384 1.00 63.21 C ATOM 621 CG1 VAL A 39 10.601 -29.146 2.783 1.00 44.31 C ATOM 622 CG2 VAL A 39 12.952 -29.933 2.345 1.00 43.14 C ATOM 0 H VAL A 39 13.693 -30.616 4.941 1.00 43.11 H new ATOM 0 HA VAL A 39 12.569 -28.012 4.358 1.00 44.15 H new ATOM 0 HB VAL A 39 11.555 -30.818 3.698 1.00 63.21 H new ATOM 0 HG11 VAL A 39 10.273 -29.708 1.909 1.00 44.31 H new ATOM 0 HG12 VAL A 39 9.802 -29.128 3.524 1.00 44.31 H new ATOM 0 HG13 VAL A 39 10.845 -28.126 2.487 1.00 44.31 H new ATOM 0 HG21 VAL A 39 12.582 -30.478 1.477 1.00 43.14 H new ATOM 0 HG22 VAL A 39 13.273 -28.937 2.039 1.00 43.14 H new ATOM 0 HG23 VAL A 39 13.797 -30.469 2.777 1.00 43.14 H new ATOM 632 N HIS A 40 10.924 -30.168 6.304 1.00 12.24 N ATOM 633 CA HIS A 40 9.845 -30.256 7.306 1.00 44.14 C ATOM 634 C HIS A 40 10.381 -30.459 8.735 1.00 61.21 C ATOM 635 O HIS A 40 9.643 -30.284 9.707 1.00 3.41 O ATOM 636 CB HIS A 40 8.858 -31.375 6.939 1.00 34.41 C ATOM 637 CG HIS A 40 7.981 -31.054 5.759 1.00 12.04 C ATOM 638 ND1 HIS A 40 8.108 -29.902 5.006 1.00 61.11 N ATOM 639 CD2 HIS A 40 6.955 -31.744 5.202 1.00 72.53 C ATOM 640 CE1 HIS A 40 7.203 -29.900 4.047 1.00 24.23 C ATOM 641 NE2 HIS A 40 6.492 -31.003 4.141 1.00 42.32 N ATOM 0 H HIS A 40 11.410 -31.047 6.129 1.00 12.24 H new ATOM 0 HA HIS A 40 9.322 -29.299 7.294 1.00 44.14 H new ATOM 0 HB2 HIS A 40 9.419 -32.285 6.725 1.00 34.41 H new ATOM 0 HB3 HIS A 40 8.226 -31.586 7.802 1.00 34.41 H new ATOM 0 HD2 HIS A 40 6.573 -32.699 5.531 1.00 72.53 H new ATOM 0 HE1 HIS A 40 7.068 -29.124 3.309 1.00 24.23 H new ATOM 0 HE2 HIS A 40 5.722 -31.266 3.526 1.00 42.32 H new ATOM 650 N PHE A 41 11.651 -30.834 8.861 1.00 12.34 N ATOM 651 CA PHE A 41 12.307 -30.913 10.175 1.00 73.01 C ATOM 652 C PHE A 41 13.803 -30.599 10.052 1.00 3.32 C ATOM 653 O PHE A 41 14.403 -30.827 9.001 1.00 45.30 O ATOM 654 CB PHE A 41 12.100 -32.298 10.818 1.00 62.51 C ATOM 655 CG PHE A 41 12.862 -33.429 10.156 1.00 33.41 C ATOM 656 CD1 PHE A 41 12.296 -34.161 9.122 1.00 34.25 C ATOM 657 CD2 PHE A 41 14.139 -33.770 10.586 1.00 41.25 C ATOM 658 CE1 PHE A 41 12.988 -35.206 8.531 1.00 51.21 C ATOM 659 CE2 PHE A 41 14.834 -34.810 9.997 1.00 52.30 C ATOM 660 CZ PHE A 41 14.257 -35.529 8.970 1.00 45.34 C ATOM 0 H PHE A 41 12.250 -31.088 8.075 1.00 12.34 H new ATOM 0 HA PHE A 41 11.847 -30.167 10.823 1.00 73.01 H new ATOM 0 HB2 PHE A 41 12.396 -32.244 11.866 1.00 62.51 H new ATOM 0 HB3 PHE A 41 11.036 -32.536 10.799 1.00 62.51 H new ATOM 0 HD1 PHE A 41 11.304 -33.913 8.774 1.00 34.25 H new ATOM 0 HD2 PHE A 41 14.595 -33.214 11.392 1.00 41.25 H new ATOM 0 HE1 PHE A 41 12.535 -35.768 7.727 1.00 51.21 H new ATOM 0 HE2 PHE A 41 15.827 -35.059 10.340 1.00 52.30 H new ATOM 0 HZ PHE A 41 14.797 -36.343 8.510 1.00 45.34 H new ATOM 670 N LYS A 42 14.402 -30.077 11.121 1.00 62.13 N ATOM 671 CA LYS A 42 15.827 -29.714 11.108 1.00 3.44 C ATOM 672 C LYS A 42 16.602 -30.380 12.259 1.00 35.43 C ATOM 673 O LYS A 42 16.102 -30.496 13.380 1.00 35.25 O ATOM 674 CB LYS A 42 15.986 -28.187 11.177 1.00 70.50 C ATOM 675 CG LYS A 42 15.340 -27.453 10.003 1.00 20.21 C ATOM 676 CD LYS A 42 15.519 -25.934 10.082 1.00 33.12 C ATOM 677 CE LYS A 42 16.934 -25.478 9.713 1.00 65.42 C ATOM 678 NZ LYS A 42 17.970 -25.978 10.657 1.00 23.11 N ATOM 0 H LYS A 42 13.929 -29.895 12.006 1.00 62.13 H new ATOM 0 HA LYS A 42 16.250 -30.081 10.172 1.00 3.44 H new ATOM 0 HB2 LYS A 42 15.547 -27.826 12.107 1.00 70.50 H new ATOM 0 HB3 LYS A 42 17.047 -27.941 11.209 1.00 70.50 H new ATOM 0 HG2 LYS A 42 15.772 -27.817 9.071 1.00 20.21 H new ATOM 0 HG3 LYS A 42 14.276 -27.688 9.975 1.00 20.21 H new ATOM 0 HD2 LYS A 42 14.803 -25.454 9.415 1.00 33.12 H new ATOM 0 HD3 LYS A 42 15.287 -25.598 11.093 1.00 33.12 H new ATOM 0 HE2 LYS A 42 17.170 -25.823 8.707 1.00 65.42 H new ATOM 0 HE3 LYS A 42 16.965 -24.389 9.692 1.00 65.42 H new ATOM 0 HZ1 LYS A 42 18.731 -25.275 10.741 1.00 23.11 H new ATOM 0 HZ2 LYS A 42 17.541 -26.137 11.591 1.00 23.11 H new ATOM 0 HZ3 LYS A 42 18.363 -26.872 10.300 1.00 23.11 H new ATOM 692 N ARG A 43 17.832 -30.810 11.962 1.00 24.13 N ATOM 693 CA ARG A 43 18.708 -31.462 12.950 1.00 51.41 C ATOM 694 C ARG A 43 19.481 -30.424 13.777 1.00 73.42 C ATOM 695 O ARG A 43 20.353 -29.728 13.253 1.00 44.40 O ATOM 696 CB ARG A 43 19.710 -32.380 12.235 1.00 64.35 C ATOM 697 CG ARG A 43 19.072 -33.353 11.250 1.00 51.02 C ATOM 698 CD ARG A 43 20.123 -34.008 10.363 1.00 5.21 C ATOM 699 NE ARG A 43 20.931 -33.008 9.658 1.00 24.13 N ATOM 700 CZ ARG A 43 21.897 -33.288 8.823 1.00 55.11 C ATOM 701 NH1 ARG A 43 22.188 -34.517 8.532 1.00 63.52 N ATOM 702 NH2 ARG A 43 22.565 -32.330 8.265 1.00 62.55 N ATOM 0 H ARG A 43 18.250 -30.718 11.036 1.00 24.13 H new ATOM 0 HA ARG A 43 18.079 -32.046 13.621 1.00 51.41 H new ATOM 0 HB2 ARG A 43 20.434 -31.764 11.702 1.00 64.35 H new ATOM 0 HB3 ARG A 43 20.263 -32.948 12.983 1.00 64.35 H new ATOM 0 HG2 ARG A 43 18.524 -34.121 11.796 1.00 51.02 H new ATOM 0 HG3 ARG A 43 18.348 -32.824 10.630 1.00 51.02 H new ATOM 0 HD2 ARG A 43 20.772 -34.638 10.971 1.00 5.21 H new ATOM 0 HD3 ARG A 43 19.634 -34.659 9.638 1.00 5.21 H new ATOM 0 HE ARG A 43 20.725 -32.024 9.831 1.00 24.13 H new ATOM 0 HH11 ARG A 43 21.661 -35.280 8.956 1.00 63.52 H new ATOM 0 HH12 ARG A 43 22.944 -34.721 7.879 1.00 63.52 H new ATOM 0 HH21 ARG A 43 22.337 -31.359 8.477 1.00 62.55 H new ATOM 0 HH22 ARG A 43 23.319 -32.546 7.613 1.00 62.55 H new ATOM 716 N VAL A 44 19.167 -30.319 15.061 1.00 64.54 N ATOM 717 CA VAL A 44 19.830 -29.350 15.942 1.00 21.44 C ATOM 718 C VAL A 44 20.797 -30.033 16.922 1.00 11.21 C ATOM 719 O VAL A 44 20.397 -30.868 17.733 1.00 23.10 O ATOM 720 CB VAL A 44 18.790 -28.517 16.726 1.00 5.24 C ATOM 721 CG1 VAL A 44 19.466 -27.595 17.742 1.00 70.13 C ATOM 722 CG2 VAL A 44 17.922 -27.719 15.755 1.00 12.11 C ATOM 0 H VAL A 44 18.458 -30.890 15.522 1.00 64.54 H new ATOM 0 HA VAL A 44 20.411 -28.686 15.303 1.00 21.44 H new ATOM 0 HB VAL A 44 18.152 -29.202 17.285 1.00 5.24 H new ATOM 0 HG11 VAL A 44 18.707 -27.024 18.276 1.00 70.13 H new ATOM 0 HG12 VAL A 44 20.037 -28.193 18.452 1.00 70.13 H new ATOM 0 HG13 VAL A 44 20.137 -26.911 17.222 1.00 70.13 H new ATOM 0 HG21 VAL A 44 17.192 -27.135 16.315 1.00 12.11 H new ATOM 0 HG22 VAL A 44 18.552 -27.048 15.171 1.00 12.11 H new ATOM 0 HG23 VAL A 44 17.402 -28.404 15.085 1.00 12.11 H new ATOM 876 N THR A 55 18.711 -32.934 18.509 1.00 74.13 N ATOM 877 CA THR A 55 17.360 -32.427 18.773 1.00 33.23 C ATOM 878 C THR A 55 16.630 -32.094 17.466 1.00 61.00 C ATOM 879 O THR A 55 17.041 -31.208 16.718 1.00 61.12 O ATOM 880 CB THR A 55 17.383 -31.166 19.670 1.00 23.13 C ATOM 881 OG1 THR A 55 18.156 -31.414 20.858 1.00 35.23 O ATOM 882 CG2 THR A 55 15.965 -30.757 20.063 1.00 5.40 C ATOM 0 HA THR A 55 16.828 -33.221 19.297 1.00 33.23 H new ATOM 0 HB THR A 55 17.841 -30.355 19.103 1.00 23.13 H new ATOM 0 HG1 THR A 55 18.842 -32.088 20.667 1.00 35.23 H new ATOM 0 HG21 THR A 55 16.004 -29.869 20.693 1.00 5.40 H new ATOM 0 HG22 THR A 55 15.387 -30.540 19.165 1.00 5.40 H new ATOM 0 HG23 THR A 55 15.491 -31.571 20.612 1.00 5.40 H new ATOM 890 N THR A 56 15.543 -32.804 17.192 1.00 44.31 N ATOM 891 CA THR A 56 14.805 -32.627 15.937 1.00 11.11 C ATOM 892 C THR A 56 13.591 -31.704 16.114 1.00 44.41 C ATOM 893 O THR A 56 12.549 -32.122 16.623 1.00 23.13 O ATOM 894 CB THR A 56 14.332 -33.989 15.376 1.00 73.22 C ATOM 895 OG1 THR A 56 15.449 -34.885 15.251 1.00 52.41 O ATOM 896 CG2 THR A 56 13.657 -33.827 14.018 1.00 4.54 C ATOM 0 H THR A 56 15.149 -33.508 17.817 1.00 44.31 H new ATOM 0 HA THR A 56 15.494 -32.163 15.231 1.00 11.11 H new ATOM 0 HB THR A 56 13.604 -34.402 16.075 1.00 73.22 H new ATOM 0 HG1 THR A 56 15.140 -35.745 14.897 1.00 52.41 H new ATOM 0 HG21 THR A 56 13.337 -34.803 13.652 1.00 4.54 H new ATOM 0 HG22 THR A 56 12.790 -33.174 14.118 1.00 4.54 H new ATOM 0 HG23 THR A 56 14.362 -33.388 13.312 1.00 4.54 H new ATOM 904 N TRP A 57 13.733 -30.447 15.699 1.00 32.54 N ATOM 905 CA TRP A 57 12.623 -29.487 15.739 1.00 61.22 C ATOM 906 C TRP A 57 11.817 -29.549 14.430 1.00 54.14 C ATOM 907 O TRP A 57 12.391 -29.653 13.343 1.00 52.33 O ATOM 908 CB TRP A 57 13.146 -28.060 15.976 1.00 5.13 C ATOM 909 CG TRP A 57 13.864 -27.889 17.287 1.00 53.31 C ATOM 910 CD1 TRP A 57 15.159 -28.217 17.556 1.00 72.40 C ATOM 911 CD2 TRP A 57 13.329 -27.351 18.505 1.00 41.34 C ATOM 912 NE1 TRP A 57 15.466 -27.909 18.857 1.00 31.05 N ATOM 913 CE2 TRP A 57 14.359 -27.382 19.462 1.00 41.43 C ATOM 914 CE3 TRP A 57 12.082 -26.847 18.879 1.00 21.11 C ATOM 915 CZ2 TRP A 57 14.182 -26.928 20.765 1.00 63.20 C ATOM 916 CZ3 TRP A 57 11.905 -26.396 20.174 1.00 51.22 C ATOM 917 CH2 TRP A 57 12.951 -26.440 21.104 1.00 21.12 C ATOM 0 H TRP A 57 14.604 -30.066 15.330 1.00 32.54 H new ATOM 0 HA TRP A 57 11.968 -29.754 16.568 1.00 61.22 H new ATOM 0 HB2 TRP A 57 13.822 -27.791 15.164 1.00 5.13 H new ATOM 0 HB3 TRP A 57 12.308 -27.364 15.937 1.00 5.13 H new ATOM 0 HD1 TRP A 57 15.845 -28.656 16.847 1.00 72.40 H new ATOM 0 HE1 TRP A 57 16.373 -28.050 19.301 1.00 31.05 H new ATOM 0 HE3 TRP A 57 11.269 -26.810 18.169 1.00 21.11 H new ATOM 0 HZ2 TRP A 57 14.988 -26.960 21.483 1.00 63.20 H new ATOM 0 HZ3 TRP A 57 10.944 -26.003 20.473 1.00 51.22 H new ATOM 0 HH2 TRP A 57 12.782 -26.081 22.109 1.00 21.12 H new ATOM 928 N TYR A 58 10.490 -29.492 14.538 1.00 63.01 N ATOM 929 CA TYR A 58 9.610 -29.638 13.371 1.00 13.44 C ATOM 930 C TYR A 58 9.090 -28.278 12.874 1.00 2.05 C ATOM 931 O TYR A 58 8.662 -27.433 13.664 1.00 52.50 O ATOM 932 CB TYR A 58 8.438 -30.570 13.717 1.00 72.10 C ATOM 933 CG TYR A 58 8.895 -31.929 14.221 1.00 51.25 C ATOM 934 CD1 TYR A 58 9.521 -32.831 13.368 1.00 31.41 C ATOM 935 CD2 TYR A 58 8.726 -32.298 15.551 1.00 70.04 C ATOM 936 CE1 TYR A 58 9.959 -34.061 13.824 1.00 64.43 C ATOM 937 CE2 TYR A 58 9.168 -33.525 16.015 1.00 14.51 C ATOM 938 CZ TYR A 58 9.782 -34.402 15.147 1.00 23.31 C ATOM 939 OH TYR A 58 10.231 -35.622 15.605 1.00 40.21 O ATOM 0 H TYR A 58 9.998 -29.346 15.419 1.00 63.01 H new ATOM 0 HA TYR A 58 10.193 -30.076 12.561 1.00 13.44 H new ATOM 0 HB2 TYR A 58 7.815 -30.097 14.476 1.00 72.10 H new ATOM 0 HB3 TYR A 58 7.815 -30.706 12.833 1.00 72.10 H new ATOM 0 HD1 TYR A 58 9.668 -32.567 12.331 1.00 31.41 H new ATOM 0 HD2 TYR A 58 8.242 -31.616 16.234 1.00 70.04 H new ATOM 0 HE1 TYR A 58 10.438 -34.752 13.146 1.00 64.43 H new ATOM 0 HE2 TYR A 58 9.032 -33.794 17.052 1.00 14.51 H new ATOM 0 HH TYR A 58 10.030 -35.707 16.560 1.00 40.21 H new ATOM 949 N ASN A 59 9.132 -28.084 11.556 1.00 15.14 N ATOM 950 CA ASN A 59 8.722 -26.820 10.931 1.00 43.24 C ATOM 951 C ASN A 59 7.190 -26.684 10.867 1.00 44.21 C ATOM 952 O ASN A 59 6.553 -27.157 9.921 1.00 11.43 O ATOM 953 CB ASN A 59 9.311 -26.716 9.514 1.00 13.52 C ATOM 954 CG ASN A 59 10.823 -26.883 9.483 1.00 31.31 C ATOM 955 OD1 ASN A 59 11.402 -27.600 10.286 1.00 43.22 O ATOM 956 ND2 ASN A 59 11.477 -26.222 8.552 1.00 3.10 N ATOM 0 H ASN A 59 9.448 -28.791 10.893 1.00 15.14 H new ATOM 0 HA ASN A 59 9.105 -26.009 11.550 1.00 43.24 H new ATOM 0 HB2 ASN A 59 8.854 -27.476 8.880 1.00 13.52 H new ATOM 0 HB3 ASN A 59 9.050 -25.747 9.088 1.00 13.52 H new ATOM 0 HD21 ASN A 59 12.492 -26.301 8.488 1.00 3.10 H new ATOM 0 HD22 ASN A 59 10.969 -25.630 7.894 1.00 3.10 H new ATOM 963 N TYR A 60 6.608 -26.024 11.871 1.00 30.31 N ATOM 964 CA TYR A 60 5.148 -25.838 11.948 1.00 32.13 C ATOM 965 C TYR A 60 4.540 -25.237 10.656 1.00 21.32 C ATOM 966 O TYR A 60 3.552 -25.765 10.149 1.00 51.12 O ATOM 967 CB TYR A 60 4.777 -24.974 13.163 1.00 44.33 C ATOM 968 CG TYR A 60 3.289 -24.681 13.282 1.00 21.31 C ATOM 969 CD1 TYR A 60 2.386 -25.686 13.613 1.00 35.33 C ATOM 970 CD2 TYR A 60 2.789 -23.401 13.065 1.00 12.33 C ATOM 971 CE1 TYR A 60 1.033 -25.425 13.721 1.00 32.21 C ATOM 972 CE2 TYR A 60 1.437 -23.135 13.174 1.00 50.20 C ATOM 973 CZ TYR A 60 0.564 -24.150 13.501 1.00 65.12 C ATOM 974 OH TYR A 60 -0.784 -23.889 13.610 1.00 33.40 O ATOM 0 H TYR A 60 7.123 -25.607 12.646 1.00 30.31 H new ATOM 0 HA TYR A 60 4.717 -26.833 12.063 1.00 32.13 H new ATOM 0 HB2 TYR A 60 5.111 -25.478 14.070 1.00 44.33 H new ATOM 0 HB3 TYR A 60 5.319 -24.030 13.104 1.00 44.33 H new ATOM 0 HD1 TYR A 60 2.749 -26.688 13.789 1.00 35.33 H new ATOM 0 HD2 TYR A 60 3.468 -22.602 12.807 1.00 12.33 H new ATOM 0 HE1 TYR A 60 0.347 -26.218 13.977 1.00 32.21 H new ATOM 0 HE2 TYR A 60 1.066 -22.135 13.003 1.00 50.20 H new ATOM 0 HH TYR A 60 -1.186 -24.508 14.255 1.00 33.40 H new ATOM 984 N PRO A 61 5.101 -24.133 10.096 1.00 72.21 N ATOM 985 CA PRO A 61 4.570 -23.528 8.853 1.00 3.32 C ATOM 986 C PRO A 61 4.483 -24.537 7.693 1.00 13.02 C ATOM 987 O PRO A 61 3.500 -24.570 6.949 1.00 31.52 O ATOM 988 CB PRO A 61 5.577 -22.407 8.531 1.00 11.33 C ATOM 989 CG PRO A 61 6.780 -22.708 9.363 1.00 40.31 C ATOM 990 CD PRO A 61 6.263 -23.382 10.603 1.00 44.54 C ATOM 0 HA PRO A 61 3.549 -23.169 8.984 1.00 3.32 H new ATOM 0 HB2 PRO A 61 5.826 -22.394 7.470 1.00 11.33 H new ATOM 0 HB3 PRO A 61 5.166 -21.427 8.774 1.00 11.33 H new ATOM 0 HG2 PRO A 61 7.474 -23.355 8.827 1.00 40.31 H new ATOM 0 HG3 PRO A 61 7.322 -21.795 9.611 1.00 40.31 H new ATOM 0 HD2 PRO A 61 7.009 -24.040 11.048 1.00 44.54 H new ATOM 0 HD3 PRO A 61 5.977 -22.660 11.368 1.00 44.54 H new ATOM 998 N GLU A 62 5.518 -25.364 7.552 1.00 55.45 N ATOM 999 CA GLU A 62 5.543 -26.414 6.526 1.00 54.11 C ATOM 1000 C GLU A 62 4.451 -27.466 6.778 1.00 35.13 C ATOM 1001 O GLU A 62 3.792 -27.933 5.847 1.00 1.12 O ATOM 1002 CB GLU A 62 6.923 -27.089 6.496 1.00 74.11 C ATOM 1003 CG GLU A 62 8.048 -26.195 5.973 1.00 51.22 C ATOM 1004 CD GLU A 62 7.919 -25.897 4.486 1.00 64.34 C ATOM 1005 OE1 GLU A 62 7.969 -26.848 3.677 1.00 2.40 O ATOM 1006 OE2 GLU A 62 7.764 -24.716 4.115 1.00 72.24 O ATOM 0 H GLU A 62 6.354 -25.330 8.135 1.00 55.45 H new ATOM 0 HA GLU A 62 5.348 -25.946 5.561 1.00 54.11 H new ATOM 0 HB2 GLU A 62 7.175 -27.419 7.504 1.00 74.11 H new ATOM 0 HB3 GLU A 62 6.865 -27.982 5.873 1.00 74.11 H new ATOM 0 HG2 GLU A 62 8.049 -25.257 6.528 1.00 51.22 H new ATOM 0 HG3 GLU A 62 9.007 -26.678 6.161 1.00 51.22 H new ATOM 1013 N ILE A 63 4.268 -27.834 8.045 1.00 31.22 N ATOM 1014 CA ILE A 63 3.239 -28.806 8.433 1.00 42.02 C ATOM 1015 C ILE A 63 1.824 -28.248 8.194 1.00 43.33 C ATOM 1016 O ILE A 63 0.966 -28.932 7.644 1.00 14.15 O ATOM 1017 CB ILE A 63 3.396 -29.216 9.921 1.00 33.30 C ATOM 1018 CG1 ILE A 63 4.805 -29.786 10.163 1.00 13.34 C ATOM 1019 CG2 ILE A 63 2.321 -30.228 10.326 1.00 53.22 C ATOM 1020 CD1 ILE A 63 5.092 -30.129 11.611 1.00 25.52 C ATOM 0 H ILE A 63 4.819 -27.474 8.824 1.00 31.22 H new ATOM 0 HA ILE A 63 3.374 -29.688 7.807 1.00 42.02 H new ATOM 0 HB ILE A 63 3.266 -28.330 10.542 1.00 33.30 H new ATOM 0 HG12 ILE A 63 4.932 -30.682 9.556 1.00 13.34 H new ATOM 0 HG13 ILE A 63 5.543 -29.061 9.819 1.00 13.34 H new ATOM 0 HG21 ILE A 63 2.453 -30.499 11.373 1.00 53.22 H new ATOM 0 HG22 ILE A 63 1.334 -29.786 10.187 1.00 53.22 H new ATOM 0 HG23 ILE A 63 2.409 -31.120 9.706 1.00 53.22 H new ATOM 0 HD11 ILE A 63 6.104 -30.524 11.698 1.00 25.52 H new ATOM 0 HD12 ILE A 63 4.999 -29.232 12.223 1.00 25.52 H new ATOM 0 HD13 ILE A 63 4.379 -30.878 11.956 1.00 25.52 H new ATOM 1032 N ASN A 64 1.602 -26.997 8.599 1.00 60.34 N ATOM 1033 CA ASN A 64 0.319 -26.311 8.382 1.00 4.33 C ATOM 1034 C ASN A 64 -0.020 -26.260 6.879 1.00 11.54 C ATOM 1035 O ASN A 64 -1.154 -26.523 6.470 1.00 31.32 O ATOM 1036 CB ASN A 64 0.390 -24.890 8.968 1.00 63.53 C ATOM 1037 CG ASN A 64 -0.964 -24.196 9.038 1.00 33.55 C ATOM 1038 OD1 ASN A 64 -1.861 -24.449 8.239 1.00 1.53 O ATOM 1039 ND2 ASN A 64 -1.126 -23.307 10.000 1.00 64.02 N ATOM 0 H ASN A 64 2.298 -26.431 9.084 1.00 60.34 H new ATOM 0 HA ASN A 64 -0.471 -26.866 8.887 1.00 4.33 H new ATOM 0 HB2 ASN A 64 0.817 -24.939 9.970 1.00 63.53 H new ATOM 0 HB3 ASN A 64 1.067 -24.288 8.362 1.00 63.53 H new ATOM 0 HD21 ASN A 64 -2.013 -22.812 10.093 1.00 64.02 H new ATOM 0 HD22 ASN A 64 -0.364 -23.115 10.651 1.00 64.02 H new ATOM 1046 N LYS A 65 0.985 -25.931 6.069 1.00 50.34 N ATOM 1047 CA LYS A 65 0.859 -25.936 4.606 1.00 63.53 C ATOM 1048 C LYS A 65 0.366 -27.305 4.093 1.00 75.01 C ATOM 1049 O LYS A 65 -0.443 -27.383 3.162 1.00 45.34 O ATOM 1050 CB LYS A 65 2.217 -25.579 3.987 1.00 32.22 C ATOM 1051 CG LYS A 65 2.257 -25.619 2.463 1.00 54.03 C ATOM 1052 CD LYS A 65 3.605 -25.145 1.925 1.00 25.12 C ATOM 1053 CE LYS A 65 4.763 -25.967 2.480 1.00 5.01 C ATOM 1054 NZ LYS A 65 6.079 -25.437 2.039 1.00 72.20 N ATOM 0 H LYS A 65 1.908 -25.654 6.403 1.00 50.34 H new ATOM 0 HA LYS A 65 0.117 -25.194 4.309 1.00 63.53 H new ATOM 0 HB2 LYS A 65 2.499 -24.579 4.317 1.00 32.22 H new ATOM 0 HB3 LYS A 65 2.969 -26.267 4.374 1.00 32.22 H new ATOM 0 HG2 LYS A 65 2.064 -26.635 2.120 1.00 54.03 H new ATOM 0 HG3 LYS A 65 1.462 -24.991 2.061 1.00 54.03 H new ATOM 0 HD2 LYS A 65 3.604 -25.209 0.837 1.00 25.12 H new ATOM 0 HD3 LYS A 65 3.749 -24.096 2.182 1.00 25.12 H new ATOM 0 HE2 LYS A 65 4.718 -25.968 3.569 1.00 5.01 H new ATOM 0 HE3 LYS A 65 4.661 -27.003 2.156 1.00 5.01 H new ATOM 0 HZ1 LYS A 65 6.730 -26.228 1.860 1.00 72.20 H new ATOM 0 HZ2 LYS A 65 5.956 -24.886 1.166 1.00 72.20 H new ATOM 0 HZ3 LYS A 65 6.474 -24.825 2.782 1.00 72.20 H new ATOM 1068 N PHE A 66 0.856 -28.377 4.715 1.00 23.25 N ATOM 1069 CA PHE A 66 0.418 -29.741 4.388 1.00 53.13 C ATOM 1070 C PHE A 66 -1.018 -29.996 4.889 1.00 71.51 C ATOM 1071 O PHE A 66 -1.841 -30.576 4.178 1.00 24.24 O ATOM 1072 CB PHE A 66 1.385 -30.765 5.005 1.00 42.41 C ATOM 1073 CG PHE A 66 0.994 -32.206 4.772 1.00 72.53 C ATOM 1074 CD1 PHE A 66 1.250 -32.822 3.554 1.00 2.22 C ATOM 1075 CD2 PHE A 66 0.368 -32.943 5.772 1.00 4.31 C ATOM 1076 CE1 PHE A 66 0.893 -34.140 3.338 1.00 12.41 C ATOM 1077 CE2 PHE A 66 0.009 -34.261 5.560 1.00 1.35 C ATOM 1078 CZ PHE A 66 0.272 -34.860 4.343 1.00 22.00 C ATOM 0 H PHE A 66 1.560 -28.330 5.452 1.00 23.25 H new ATOM 0 HA PHE A 66 0.423 -29.852 3.304 1.00 53.13 H new ATOM 0 HB2 PHE A 66 2.381 -30.600 4.595 1.00 42.41 H new ATOM 0 HB3 PHE A 66 1.449 -30.587 6.078 1.00 42.41 H new ATOM 0 HD1 PHE A 66 1.734 -32.265 2.766 1.00 2.22 H new ATOM 0 HD2 PHE A 66 0.160 -32.480 6.725 1.00 4.31 H new ATOM 0 HE1 PHE A 66 1.099 -34.607 2.386 1.00 12.41 H new ATOM 0 HE2 PHE A 66 -0.477 -34.822 6.345 1.00 1.35 H new ATOM 0 HZ PHE A 66 -0.007 -35.890 4.176 1.00 22.00 H new ATOM 1088 N ILE A 67 -1.305 -29.557 6.117 1.00 20.23 N ATOM 1089 CA ILE A 67 -2.641 -29.705 6.710 1.00 14.21 C ATOM 1090 C ILE A 67 -3.721 -29.087 5.810 1.00 32.40 C ATOM 1091 O ILE A 67 -4.750 -29.708 5.553 1.00 72.41 O ATOM 1092 CB ILE A 67 -2.708 -29.057 8.120 1.00 54.01 C ATOM 1093 CG1 ILE A 67 -1.726 -29.752 9.080 1.00 60.31 C ATOM 1094 CG2 ILE A 67 -4.135 -29.102 8.677 1.00 54.31 C ATOM 1095 CD1 ILE A 67 -1.680 -29.137 10.465 1.00 72.40 C ATOM 0 H ILE A 67 -0.629 -29.094 6.724 1.00 20.23 H new ATOM 0 HA ILE A 67 -2.830 -30.774 6.805 1.00 14.21 H new ATOM 0 HB ILE A 67 -2.417 -28.011 8.028 1.00 54.01 H new ATOM 0 HG12 ILE A 67 -2.003 -30.803 9.169 1.00 60.31 H new ATOM 0 HG13 ILE A 67 -0.726 -29.721 8.646 1.00 60.31 H new ATOM 0 HG21 ILE A 67 -4.155 -28.642 9.665 1.00 54.31 H new ATOM 0 HG22 ILE A 67 -4.803 -28.557 8.010 1.00 54.31 H new ATOM 0 HG23 ILE A 67 -4.463 -30.139 8.753 1.00 54.31 H new ATOM 0 HD11 ILE A 67 -0.966 -29.682 11.082 1.00 72.40 H new ATOM 0 HD12 ILE A 67 -1.373 -28.094 10.390 1.00 72.40 H new ATOM 0 HD13 ILE A 67 -2.669 -29.192 10.921 1.00 72.40 H new