USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 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 Set 1.1: A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 168:sc= -6.02! (180deg=-6.87!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 161:sc= -0.16 (180deg=-1.01) USER MOD Single : A 20 THR OG1 : rot -72:sc= 1.07 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 40 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-4.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 26:sc= 0.0501 USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.00291 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.33 X(o=0.33,f=-0.11) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0528 X(o=-0.053,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 9 7.961 -20.204 11.814 1.00 71.23 N ATOM 135 CA GLU A 9 7.393 -20.841 13.005 1.00 60.32 C ATOM 136 C GLU A 9 7.843 -22.313 13.108 1.00 53.24 C ATOM 137 O GLU A 9 7.153 -23.228 12.643 1.00 1.13 O ATOM 138 CB GLU A 9 5.857 -20.738 12.966 1.00 2.25 C ATOM 139 CG GLU A 9 5.151 -21.266 14.214 1.00 31.32 C ATOM 140 CD GLU A 9 5.385 -20.410 15.452 1.00 20.41 C ATOM 141 OE1 GLU A 9 6.367 -20.666 16.183 1.00 74.44 O ATOM 142 OE2 GLU A 9 4.572 -19.496 15.714 1.00 10.22 O ATOM 0 HA GLU A 9 7.758 -20.321 13.891 1.00 60.32 H new ATOM 0 HB2 GLU A 9 5.580 -19.694 12.822 1.00 2.25 H new ATOM 0 HB3 GLU A 9 5.491 -21.287 12.098 1.00 2.25 H new ATOM 0 HG2 GLU A 9 4.080 -21.324 14.019 1.00 31.32 H new ATOM 0 HG3 GLU A 9 5.494 -22.281 14.414 1.00 31.32 H new ATOM 149 N TRP A 10 9.024 -22.526 13.693 1.00 71.51 N ATOM 150 CA TRP A 10 9.584 -23.875 13.872 1.00 20.42 C ATOM 151 C TRP A 10 9.220 -24.451 15.251 1.00 11.13 C ATOM 152 O TRP A 10 9.141 -23.716 16.238 1.00 4.22 O ATOM 153 CB TRP A 10 11.115 -23.848 13.725 1.00 1.03 C ATOM 154 CG TRP A 10 11.609 -23.422 12.370 1.00 71.42 C ATOM 155 CD1 TRP A 10 11.955 -22.159 11.983 1.00 55.32 C ATOM 156 CD2 TRP A 10 11.829 -24.261 11.229 1.00 63.34 C ATOM 157 NE1 TRP A 10 12.381 -22.161 10.677 1.00 45.23 N ATOM 158 CE2 TRP A 10 12.306 -23.437 10.190 1.00 2.43 C ATOM 159 CE3 TRP A 10 11.666 -25.627 10.985 1.00 64.53 C ATOM 160 CZ2 TRP A 10 12.622 -23.936 8.930 1.00 54.04 C ATOM 161 CZ3 TRP A 10 11.979 -26.121 9.733 1.00 42.40 C ATOM 162 CH2 TRP A 10 12.453 -25.278 8.719 1.00 21.43 C ATOM 0 H TRP A 10 9.617 -21.779 14.054 1.00 71.51 H new ATOM 0 HA TRP A 10 9.154 -24.512 13.099 1.00 20.42 H new ATOM 0 HB2 TRP A 10 11.527 -23.173 14.475 1.00 1.03 H new ATOM 0 HB3 TRP A 10 11.505 -24.842 13.943 1.00 1.03 H new ATOM 0 HD1 TRP A 10 11.901 -21.284 12.613 1.00 55.32 H new ATOM 0 HE1 TRP A 10 12.701 -21.345 10.156 1.00 45.23 H new ATOM 0 HE3 TRP A 10 11.302 -26.285 11.761 1.00 64.53 H new ATOM 0 HZ2 TRP A 10 12.987 -23.288 8.147 1.00 54.04 H new ATOM 0 HZ3 TRP A 10 11.856 -27.175 9.533 1.00 42.40 H new ATOM 0 HH2 TRP A 10 12.690 -25.695 7.751 1.00 21.43 H new ATOM 173 N MET A 11 9.018 -25.768 15.322 1.00 24.32 N ATOM 174 CA MET A 11 8.680 -26.432 16.591 1.00 25.42 C ATOM 175 C MET A 11 8.957 -27.944 16.542 1.00 4.22 C ATOM 176 O MET A 11 9.048 -28.536 15.467 1.00 11.25 O ATOM 177 CB MET A 11 7.205 -26.184 16.927 1.00 23.12 C ATOM 178 CG MET A 11 6.237 -26.833 15.946 1.00 74.35 C ATOM 179 SD MET A 11 4.560 -26.198 16.109 1.00 32.51 S ATOM 180 CE MET A 11 4.839 -24.485 15.673 1.00 51.11 C ATOM 0 H MET A 11 9.081 -26.397 14.522 1.00 24.32 H new ATOM 0 HA MET A 11 9.315 -26.006 17.368 1.00 25.42 H new ATOM 0 HB2 MET A 11 7.001 -26.562 17.929 1.00 23.12 H new ATOM 0 HB3 MET A 11 7.022 -25.110 16.948 1.00 23.12 H new ATOM 0 HG2 MET A 11 6.589 -26.664 14.928 1.00 74.35 H new ATOM 0 HG3 MET A 11 6.231 -27.911 16.106 1.00 74.35 H new ATOM 0 HE1 MET A 11 3.881 -23.989 15.514 1.00 51.11 H new ATOM 0 HE2 MET A 11 5.376 -23.987 16.480 1.00 51.11 H new ATOM 0 HE3 MET A 11 5.430 -24.434 14.759 1.00 51.11 H new ATOM 190 N VAL A 12 9.092 -28.562 17.713 1.00 51.20 N ATOM 191 CA VAL A 12 9.294 -30.017 17.808 1.00 13.34 C ATOM 192 C VAL A 12 7.955 -30.779 17.735 1.00 15.41 C ATOM 193 O VAL A 12 6.890 -30.194 17.933 1.00 40.00 O ATOM 194 CB VAL A 12 10.036 -30.398 19.119 1.00 11.44 C ATOM 195 CG1 VAL A 12 11.406 -29.718 19.180 1.00 23.33 C ATOM 196 CG2 VAL A 12 9.200 -30.036 20.349 1.00 64.53 C ATOM 0 H VAL A 12 9.066 -28.083 18.613 1.00 51.20 H new ATOM 0 HA VAL A 12 9.909 -30.307 16.956 1.00 13.34 H new ATOM 0 HB VAL A 12 10.186 -31.478 19.119 1.00 11.44 H new ATOM 0 HG11 VAL A 12 11.910 -29.997 20.105 1.00 23.33 H new ATOM 0 HG12 VAL A 12 12.008 -30.036 18.329 1.00 23.33 H new ATOM 0 HG13 VAL A 12 11.277 -28.636 19.149 1.00 23.33 H new ATOM 0 HG21 VAL A 12 9.743 -30.313 21.252 1.00 64.53 H new ATOM 0 HG22 VAL A 12 9.008 -28.963 20.356 1.00 64.53 H new ATOM 0 HG23 VAL A 12 8.252 -30.573 20.316 1.00 64.53 H new ATOM 206 N GLU A 13 8.018 -32.086 17.468 1.00 73.34 N ATOM 207 CA GLU A 13 6.813 -32.923 17.317 1.00 54.12 C ATOM 208 C GLU A 13 5.852 -32.787 18.514 1.00 22.53 C ATOM 209 O GLU A 13 4.642 -32.599 18.339 1.00 44.14 O ATOM 210 CB GLU A 13 7.224 -34.393 17.142 1.00 62.11 C ATOM 211 CG GLU A 13 6.050 -35.360 17.022 1.00 52.21 C ATOM 212 CD GLU A 13 6.496 -36.809 16.882 1.00 51.12 C ATOM 213 OE1 GLU A 13 6.812 -37.443 17.915 1.00 10.10 O ATOM 214 OE2 GLU A 13 6.540 -37.317 15.746 1.00 23.23 O ATOM 0 H GLU A 13 8.894 -32.595 17.350 1.00 73.34 H new ATOM 0 HA GLU A 13 6.280 -32.575 16.432 1.00 54.12 H new ATOM 0 HB2 GLU A 13 7.846 -34.481 16.251 1.00 62.11 H new ATOM 0 HB3 GLU A 13 7.840 -34.690 17.991 1.00 62.11 H new ATOM 0 HG2 GLU A 13 5.413 -35.263 17.901 1.00 52.21 H new ATOM 0 HG3 GLU A 13 5.445 -35.085 16.158 1.00 52.21 H new ATOM 221 N LYS A 14 6.401 -32.869 19.726 1.00 4.25 N ATOM 222 CA LYS A 14 5.605 -32.783 20.958 1.00 10.20 C ATOM 223 C LYS A 14 4.875 -31.429 21.060 1.00 54.11 C ATOM 224 O LYS A 14 3.777 -31.344 21.608 1.00 42.44 O ATOM 225 CB LYS A 14 6.521 -33.014 22.180 1.00 40.52 C ATOM 226 CG LYS A 14 5.783 -33.299 23.493 1.00 60.44 C ATOM 227 CD LYS A 14 5.414 -32.022 24.249 1.00 61.40 C ATOM 228 CE LYS A 14 6.649 -31.274 24.749 1.00 35.20 C ATOM 229 NZ LYS A 14 6.288 -30.064 25.537 1.00 43.30 N ATOM 0 H LYS A 14 7.401 -32.996 19.885 1.00 4.25 H new ATOM 0 HA LYS A 14 4.840 -33.559 20.936 1.00 10.20 H new ATOM 0 HB2 LYS A 14 7.186 -33.850 21.965 1.00 40.52 H new ATOM 0 HB3 LYS A 14 7.149 -32.134 22.317 1.00 40.52 H new ATOM 0 HG2 LYS A 14 4.877 -33.866 23.280 1.00 60.44 H new ATOM 0 HG3 LYS A 14 6.409 -33.925 24.129 1.00 60.44 H new ATOM 0 HD2 LYS A 14 4.835 -31.369 23.596 1.00 61.40 H new ATOM 0 HD3 LYS A 14 4.776 -32.274 25.096 1.00 61.40 H new ATOM 0 HE2 LYS A 14 7.252 -31.941 25.365 1.00 35.20 H new ATOM 0 HE3 LYS A 14 7.265 -30.982 23.898 1.00 35.20 H new ATOM 0 HZ1 LYS A 14 7.155 -29.587 25.857 1.00 43.30 H new ATOM 0 HZ2 LYS A 14 5.734 -29.415 24.942 1.00 43.30 H new ATOM 0 HZ3 LYS A 14 5.722 -30.344 26.363 1.00 43.30 H new ATOM 243 N ALA A 15 5.488 -30.377 20.522 1.00 40.20 N ATOM 244 CA ALA A 15 4.881 -29.040 20.517 1.00 52.31 C ATOM 245 C ALA A 15 3.911 -28.870 19.337 1.00 14.01 C ATOM 246 O ALA A 15 2.876 -28.206 19.454 1.00 23.44 O ATOM 247 CB ALA A 15 5.970 -27.971 20.471 1.00 55.01 C ATOM 0 H ALA A 15 6.407 -30.421 20.082 1.00 40.20 H new ATOM 0 HA ALA A 15 4.307 -28.925 21.437 1.00 52.31 H new ATOM 0 HB1 ALA A 15 5.510 -26.983 20.468 1.00 55.01 H new ATOM 0 HB2 ALA A 15 6.613 -28.069 21.346 1.00 55.01 H new ATOM 0 HB3 ALA A 15 6.566 -28.097 19.567 1.00 55.01 H new ATOM 253 N LEU A 16 4.249 -29.497 18.211 1.00 65.44 N ATOM 254 CA LEU A 16 3.450 -29.412 16.983 1.00 60.42 C ATOM 255 C LEU A 16 2.021 -29.929 17.217 1.00 1.12 C ATOM 256 O LEU A 16 1.042 -29.250 16.889 1.00 1.12 O ATOM 257 CB LEU A 16 4.161 -30.207 15.861 1.00 5.44 C ATOM 258 CG LEU A 16 3.622 -30.034 14.423 1.00 43.04 C ATOM 259 CD1 LEU A 16 2.358 -30.861 14.190 1.00 34.41 C ATOM 260 CD2 LEU A 16 3.372 -28.557 14.114 1.00 1.54 C ATOM 0 H LEU A 16 5.083 -30.078 18.121 1.00 65.44 H new ATOM 0 HA LEU A 16 3.365 -28.369 16.679 1.00 60.42 H new ATOM 0 HB2 LEU A 16 5.214 -29.926 15.863 1.00 5.44 H new ATOM 0 HB3 LEU A 16 4.113 -31.266 16.115 1.00 5.44 H new ATOM 0 HG LEU A 16 4.385 -30.405 13.738 1.00 43.04 H new ATOM 0 HD11 LEU A 16 2.010 -30.713 13.168 1.00 34.41 H new ATOM 0 HD12 LEU A 16 2.579 -31.916 14.349 1.00 34.41 H new ATOM 0 HD13 LEU A 16 1.582 -30.544 14.887 1.00 34.41 H new ATOM 0 HD21 LEU A 16 2.993 -28.457 13.097 1.00 1.54 H new ATOM 0 HD22 LEU A 16 2.639 -28.158 14.815 1.00 1.54 H new ATOM 0 HD23 LEU A 16 4.305 -28.002 14.209 1.00 1.54 H new ATOM 272 N MET A 17 1.904 -31.123 17.796 1.00 11.35 N ATOM 273 CA MET A 17 0.589 -31.710 18.094 1.00 33.03 C ATOM 274 C MET A 17 -0.242 -30.795 19.016 1.00 21.33 C ATOM 275 O MET A 17 -1.462 -30.686 18.873 1.00 3.24 O ATOM 276 CB MET A 17 0.747 -33.100 18.735 1.00 63.40 C ATOM 277 CG MET A 17 1.446 -33.093 20.088 1.00 24.21 C ATOM 278 SD MET A 17 1.611 -34.745 20.797 1.00 63.41 S ATOM 279 CE MET A 17 2.627 -35.557 19.560 1.00 3.22 C ATOM 0 H MET A 17 2.697 -31.704 18.069 1.00 11.35 H new ATOM 0 HA MET A 17 0.056 -31.814 17.149 1.00 33.03 H new ATOM 0 HB2 MET A 17 -0.240 -33.547 18.852 1.00 63.40 H new ATOM 0 HB3 MET A 17 1.308 -33.739 18.053 1.00 63.40 H new ATOM 0 HG2 MET A 17 2.435 -32.649 19.979 1.00 24.21 H new ATOM 0 HG3 MET A 17 0.887 -32.461 20.778 1.00 24.21 H new ATOM 0 HE1 MET A 17 3.090 -36.443 19.994 1.00 3.22 H new ATOM 0 HE2 MET A 17 2.006 -35.850 18.714 1.00 3.22 H new ATOM 0 HE3 MET A 17 3.404 -34.872 19.220 1.00 3.22 H new ATOM 289 N VAL A 18 0.432 -30.116 19.944 1.00 33.00 N ATOM 290 CA VAL A 18 -0.242 -29.245 20.914 1.00 45.34 C ATOM 291 C VAL A 18 -0.765 -27.951 20.260 1.00 65.24 C ATOM 292 O VAL A 18 -1.787 -27.403 20.682 1.00 23.35 O ATOM 293 CB VAL A 18 0.699 -28.892 22.096 1.00 22.52 C ATOM 294 CG1 VAL A 18 -0.006 -27.990 23.111 1.00 34.24 C ATOM 295 CG2 VAL A 18 1.213 -30.165 22.769 1.00 21.21 C ATOM 0 H VAL A 18 1.446 -30.151 20.047 1.00 33.00 H new ATOM 0 HA VAL A 18 -1.098 -29.803 21.295 1.00 45.34 H new ATOM 0 HB VAL A 18 1.552 -28.343 21.697 1.00 22.52 H new ATOM 0 HG11 VAL A 18 0.677 -27.759 23.928 1.00 34.24 H new ATOM 0 HG12 VAL A 18 -0.315 -27.065 22.623 1.00 34.24 H new ATOM 0 HG13 VAL A 18 -0.883 -28.502 23.505 1.00 34.24 H new ATOM 0 HG21 VAL A 18 1.872 -29.899 23.596 1.00 21.21 H new ATOM 0 HG22 VAL A 18 0.370 -30.742 23.148 1.00 21.21 H new ATOM 0 HG23 VAL A 18 1.765 -30.763 22.044 1.00 21.21 H new ATOM 305 N ARG A 19 -0.073 -27.464 19.228 1.00 24.34 N ATOM 306 CA ARG A 19 -0.503 -26.242 18.524 1.00 34.52 C ATOM 307 C ARG A 19 -1.510 -26.539 17.393 1.00 32.30 C ATOM 308 O ARG A 19 -2.377 -25.718 17.098 1.00 32.04 O ATOM 309 CB ARG A 19 0.698 -25.486 17.932 1.00 54.23 C ATOM 310 CG ARG A 19 1.766 -25.071 18.948 1.00 33.54 C ATOM 311 CD ARG A 19 2.711 -24.024 18.359 1.00 73.33 C ATOM 312 NE ARG A 19 3.933 -23.838 19.148 1.00 62.23 N ATOM 313 CZ ARG A 19 4.867 -22.973 18.838 1.00 70.41 C ATOM 314 NH1 ARG A 19 4.692 -22.147 17.859 1.00 11.24 N ATOM 315 NH2 ARG A 19 5.968 -22.922 19.517 1.00 1.34 N ATOM 0 H ARG A 19 0.779 -27.887 18.860 1.00 24.34 H new ATOM 0 HA ARG A 19 -0.995 -25.622 19.274 1.00 34.52 H new ATOM 0 HB2 ARG A 19 1.165 -26.113 17.173 1.00 54.23 H new ATOM 0 HB3 ARG A 19 0.332 -24.592 17.426 1.00 54.23 H new ATOM 0 HG2 ARG A 19 1.286 -24.670 19.841 1.00 33.54 H new ATOM 0 HG3 ARG A 19 2.337 -25.946 19.258 1.00 33.54 H new ATOM 0 HD2 ARG A 19 2.982 -24.319 17.345 1.00 73.33 H new ATOM 0 HD3 ARG A 19 2.186 -23.072 18.284 1.00 73.33 H new ATOM 0 HE ARG A 19 4.063 -24.412 19.981 1.00 62.23 H new ATOM 0 HH11 ARG A 19 3.824 -22.167 17.324 1.00 11.24 H new ATOM 0 HH12 ARG A 19 5.422 -21.475 17.622 1.00 11.24 H new ATOM 0 HH21 ARG A 19 6.114 -23.559 20.301 1.00 1.34 H new ATOM 0 HH22 ARG A 19 6.690 -22.245 19.268 1.00 1.34 H new ATOM 329 N THR A 20 -1.387 -27.707 16.756 1.00 1.21 N ATOM 330 CA THR A 20 -2.228 -28.052 15.588 1.00 41.04 C ATOM 331 C THR A 20 -3.490 -28.835 15.972 1.00 4.44 C ATOM 332 O THR A 20 -4.523 -28.731 15.308 1.00 33.40 O ATOM 333 CB THR A 20 -1.445 -28.903 14.560 1.00 64.42 C ATOM 334 OG1 THR A 20 -0.997 -30.122 15.177 1.00 70.42 O ATOM 335 CG2 THR A 20 -0.245 -28.141 14.002 1.00 51.41 C ATOM 0 H THR A 20 -0.720 -28.431 17.021 1.00 1.21 H new ATOM 0 HA THR A 20 -2.519 -27.095 15.154 1.00 41.04 H new ATOM 0 HB THR A 20 -2.117 -29.132 13.733 1.00 64.42 H new ATOM 0 HG1 THR A 20 -0.271 -29.923 15.804 1.00 70.42 H new ATOM 0 HG21 THR A 20 0.282 -28.768 13.283 1.00 51.41 H new ATOM 0 HG22 THR A 20 -0.589 -27.233 13.507 1.00 51.41 H new ATOM 0 HG23 THR A 20 0.429 -27.877 14.817 1.00 51.41 H new ATOM 343 N GLY A 21 -3.408 -29.622 17.038 1.00 24.21 N ATOM 344 CA GLY A 21 -4.541 -30.447 17.450 1.00 51.14 C ATOM 345 C GLY A 21 -4.487 -31.871 16.891 1.00 53.42 C ATOM 346 O GLY A 21 -5.428 -32.651 17.063 1.00 24.21 O ATOM 0 H GLY A 21 -2.580 -29.708 17.628 1.00 24.21 H new ATOM 0 HA2 GLY A 21 -4.572 -30.492 18.539 1.00 51.14 H new ATOM 0 HA3 GLY A 21 -5.466 -29.971 17.124 1.00 51.14 H new ATOM 350 N LEU A 22 -3.394 -32.205 16.204 1.00 5.35 N ATOM 351 CA LEU A 22 -3.179 -33.567 15.695 1.00 71.35 C ATOM 352 C LEU A 22 -2.648 -34.497 16.796 1.00 31.42 C ATOM 353 O LEU A 22 -2.019 -34.052 17.755 1.00 72.31 O ATOM 354 CB LEU A 22 -2.196 -33.561 14.507 1.00 22.24 C ATOM 355 CG LEU A 22 -2.801 -33.247 13.122 1.00 75.42 C ATOM 356 CD1 LEU A 22 -3.470 -31.874 13.099 1.00 0.01 C ATOM 357 CD2 LEU A 22 -1.727 -33.344 12.042 1.00 43.44 C ATOM 0 H LEU A 22 -2.641 -31.553 15.985 1.00 5.35 H new ATOM 0 HA LEU A 22 -4.145 -33.942 15.357 1.00 71.35 H new ATOM 0 HB2 LEU A 22 -1.414 -32.830 14.713 1.00 22.24 H new ATOM 0 HB3 LEU A 22 -1.714 -34.537 14.457 1.00 22.24 H new ATOM 0 HG LEU A 22 -3.573 -33.989 12.917 1.00 75.42 H new ATOM 0 HD11 LEU A 22 -3.884 -31.688 12.108 1.00 0.01 H new ATOM 0 HD12 LEU A 22 -4.271 -31.847 13.838 1.00 0.01 H new ATOM 0 HD13 LEU A 22 -2.733 -31.106 13.334 1.00 0.01 H new ATOM 0 HD21 LEU A 22 -2.167 -33.120 11.070 1.00 43.44 H new ATOM 0 HD22 LEU A 22 -0.932 -32.629 12.254 1.00 43.44 H new ATOM 0 HD23 LEU A 22 -1.314 -34.352 12.030 1.00 43.44 H new ATOM 369 N GLY A 23 -2.903 -35.791 16.644 1.00 23.54 N ATOM 370 CA GLY A 23 -2.415 -36.771 17.605 1.00 35.32 C ATOM 371 C GLY A 23 -1.091 -37.406 17.189 1.00 14.31 C ATOM 372 O GLY A 23 -0.678 -37.301 16.032 1.00 55.32 O ATOM 0 H GLY A 23 -3.440 -36.183 15.871 1.00 23.54 H new ATOM 0 HA2 GLY A 23 -2.292 -36.290 18.575 1.00 35.32 H new ATOM 0 HA3 GLY A 23 -3.164 -37.553 17.730 1.00 35.32 H new ATOM 376 N ALA A 24 -0.427 -38.072 18.135 1.00 22.42 N ATOM 377 CA ALA A 24 0.862 -38.730 17.875 1.00 53.44 C ATOM 378 C ALA A 24 0.803 -39.660 16.648 1.00 74.55 C ATOM 379 O ALA A 24 1.659 -39.592 15.764 1.00 33.44 O ATOM 380 CB ALA A 24 1.309 -39.509 19.111 1.00 41.00 C ATOM 0 H ALA A 24 -0.760 -38.172 19.094 1.00 22.42 H new ATOM 0 HA ALA A 24 1.591 -37.950 17.653 1.00 53.44 H new ATOM 0 HB1 ALA A 24 2.265 -39.993 18.910 1.00 41.00 H new ATOM 0 HB2 ALA A 24 1.419 -38.825 19.952 1.00 41.00 H new ATOM 0 HB3 ALA A 24 0.563 -40.266 19.354 1.00 41.00 H new ATOM 386 N ARG A 25 -0.230 -40.503 16.587 1.00 64.11 N ATOM 387 CA ARG A 25 -0.384 -41.466 15.486 1.00 15.23 C ATOM 388 C ARG A 25 -0.607 -40.761 14.137 1.00 54.32 C ATOM 389 O ARG A 25 -0.263 -41.297 13.080 1.00 55.10 O ATOM 390 CB ARG A 25 -1.535 -42.441 15.780 1.00 32.11 C ATOM 391 CG ARG A 25 -1.288 -43.336 16.992 1.00 2.42 C ATOM 392 CD ARG A 25 -0.022 -44.172 16.829 1.00 53.04 C ATOM 393 NE ARG A 25 0.212 -45.053 17.969 1.00 13.03 N ATOM 394 CZ ARG A 25 1.389 -45.489 18.326 1.00 70.54 C ATOM 395 NH1 ARG A 25 2.457 -45.105 17.702 1.00 51.44 N ATOM 396 NH2 ARG A 25 1.503 -46.300 19.326 1.00 3.45 N ATOM 0 H ARG A 25 -0.973 -40.541 17.284 1.00 64.11 H new ATOM 0 HA ARG A 25 0.546 -42.030 15.412 1.00 15.23 H new ATOM 0 HB2 ARG A 25 -2.450 -41.871 15.941 1.00 32.11 H new ATOM 0 HB3 ARG A 25 -1.700 -43.068 14.904 1.00 32.11 H new ATOM 0 HG2 ARG A 25 -1.205 -42.720 17.888 1.00 2.42 H new ATOM 0 HG3 ARG A 25 -2.143 -43.996 17.137 1.00 2.42 H new ATOM 0 HD2 ARG A 25 -0.099 -44.770 15.921 1.00 53.04 H new ATOM 0 HD3 ARG A 25 0.834 -43.509 16.703 1.00 53.04 H new ATOM 0 HE ARG A 25 -0.594 -45.346 18.521 1.00 13.03 H new ATOM 0 HH11 ARG A 25 2.385 -44.453 16.921 1.00 51.44 H new ATOM 0 HH12 ARG A 25 3.370 -45.454 17.992 1.00 51.44 H new ATOM 0 HH21 ARG A 25 0.673 -46.600 19.837 1.00 3.45 H new ATOM 0 HH22 ARG A 25 2.423 -46.640 19.604 1.00 3.45 H new ATOM 410 N GLN A 26 -1.177 -39.560 14.184 1.00 64.41 N ATOM 411 CA GLN A 26 -1.354 -38.735 12.983 1.00 43.45 C ATOM 412 C GLN A 26 -0.001 -38.253 12.439 1.00 72.42 C ATOM 413 O GLN A 26 0.355 -38.516 11.288 1.00 1.45 O ATOM 414 CB GLN A 26 -2.235 -37.519 13.306 1.00 43.41 C ATOM 415 CG GLN A 26 -3.678 -37.866 13.652 1.00 44.35 C ATOM 416 CD GLN A 26 -4.506 -38.207 12.425 1.00 0.02 C ATOM 417 OE1 GLN A 26 -4.581 -39.356 12.003 1.00 61.23 O ATOM 418 NE2 GLN A 26 -5.138 -37.202 11.849 1.00 65.23 N ATOM 0 H GLN A 26 -1.526 -39.132 15.041 1.00 64.41 H new ATOM 0 HA GLN A 26 -1.837 -39.348 12.222 1.00 43.45 H new ATOM 0 HB2 GLN A 26 -1.793 -36.977 14.142 1.00 43.41 H new ATOM 0 HB3 GLN A 26 -2.231 -36.844 12.450 1.00 43.41 H new ATOM 0 HG2 GLN A 26 -3.690 -38.711 14.340 1.00 44.35 H new ATOM 0 HG3 GLN A 26 -4.136 -37.025 14.172 1.00 44.35 H new ATOM 0 HE21 GLN A 26 -5.051 -36.260 12.230 1.00 65.23 H new ATOM 0 HE22 GLN A 26 -5.713 -37.368 11.023 1.00 65.23 H new ATOM 427 N ILE A 27 0.756 -37.564 13.292 1.00 31.33 N ATOM 428 CA ILE A 27 2.033 -36.961 12.893 1.00 33.51 C ATOM 429 C ILE A 27 3.033 -38.011 12.375 1.00 64.12 C ATOM 430 O ILE A 27 3.596 -37.853 11.289 1.00 51.35 O ATOM 431 CB ILE A 27 2.678 -36.180 14.066 1.00 25.10 C ATOM 432 CG1 ILE A 27 1.697 -35.134 14.621 1.00 0.20 C ATOM 433 CG2 ILE A 27 3.975 -35.507 13.612 1.00 5.20 C ATOM 434 CD1 ILE A 27 2.260 -34.307 15.759 1.00 53.44 C ATOM 0 H ILE A 27 0.508 -37.407 14.269 1.00 31.33 H new ATOM 0 HA ILE A 27 1.804 -36.271 12.081 1.00 33.51 H new ATOM 0 HB ILE A 27 2.915 -36.887 14.861 1.00 25.10 H new ATOM 0 HG12 ILE A 27 1.398 -34.466 13.813 1.00 0.20 H new ATOM 0 HG13 ILE A 27 0.796 -35.642 14.965 1.00 0.20 H new ATOM 0 HG21 ILE A 27 4.415 -34.963 14.448 1.00 5.20 H new ATOM 0 HG22 ILE A 27 4.676 -36.266 13.264 1.00 5.20 H new ATOM 0 HG23 ILE A 27 3.760 -34.812 12.800 1.00 5.20 H new ATOM 0 HD11 ILE A 27 1.509 -33.592 16.096 1.00 53.44 H new ATOM 0 HD12 ILE A 27 2.533 -34.963 16.585 1.00 53.44 H new ATOM 0 HD13 ILE A 27 3.144 -33.769 15.416 1.00 53.44 H new ATOM 446 N GLU A 28 3.240 -39.084 13.147 1.00 20.05 N ATOM 447 CA GLU A 28 4.193 -40.142 12.769 1.00 60.03 C ATOM 448 C GLU A 28 3.910 -40.691 11.359 1.00 64.34 C ATOM 449 O GLU A 28 4.836 -40.946 10.589 1.00 24.02 O ATOM 450 CB GLU A 28 4.171 -41.291 13.792 1.00 53.44 C ATOM 451 CG GLU A 28 2.807 -41.952 13.944 1.00 14.21 C ATOM 452 CD GLU A 28 2.814 -43.143 14.892 1.00 60.41 C ATOM 453 OE1 GLU A 28 3.020 -42.943 16.107 1.00 21.40 O ATOM 454 OE2 GLU A 28 2.584 -44.281 14.426 1.00 1.34 O ATOM 0 H GLU A 28 2.764 -39.245 14.035 1.00 20.05 H new ATOM 0 HA GLU A 28 5.185 -39.690 12.763 1.00 60.03 H new ATOM 0 HB2 GLU A 28 4.899 -42.045 13.493 1.00 53.44 H new ATOM 0 HB3 GLU A 28 4.489 -40.908 14.762 1.00 53.44 H new ATOM 0 HG2 GLU A 28 2.092 -41.213 14.306 1.00 14.21 H new ATOM 0 HG3 GLU A 28 2.459 -42.279 12.964 1.00 14.21 H new ATOM 461 N SER A 29 2.630 -40.854 11.020 1.00 34.01 N ATOM 462 CA SER A 29 2.242 -41.355 9.694 1.00 5.33 C ATOM 463 C SER A 29 2.534 -40.318 8.600 1.00 4.22 C ATOM 464 O SER A 29 3.048 -40.652 7.533 1.00 20.41 O ATOM 465 CB SER A 29 0.752 -41.730 9.661 1.00 23.10 C ATOM 466 OG SER A 29 0.379 -42.277 8.400 1.00 51.24 O ATOM 0 H SER A 29 1.846 -40.649 11.639 1.00 34.01 H new ATOM 0 HA SER A 29 2.837 -42.247 9.500 1.00 5.33 H new ATOM 0 HB2 SER A 29 0.540 -42.453 10.449 1.00 23.10 H new ATOM 0 HB3 SER A 29 0.149 -40.846 9.868 1.00 23.10 H new ATOM 0 HG SER A 29 -0.574 -42.507 8.412 1.00 51.24 H new ATOM 472 N TYR A 30 2.206 -39.055 8.875 1.00 5.45 N ATOM 473 CA TYR A 30 2.447 -37.967 7.919 1.00 11.22 C ATOM 474 C TYR A 30 3.953 -37.718 7.718 1.00 41.12 C ATOM 475 O TYR A 30 4.385 -37.283 6.646 1.00 1.03 O ATOM 476 CB TYR A 30 1.754 -36.681 8.393 1.00 71.45 C ATOM 477 CG TYR A 30 0.238 -36.789 8.480 1.00 24.44 C ATOM 478 CD1 TYR A 30 -0.478 -37.563 7.571 1.00 41.30 C ATOM 479 CD2 TYR A 30 -0.477 -36.111 9.463 1.00 25.44 C ATOM 480 CE1 TYR A 30 -1.855 -37.657 7.640 1.00 10.25 C ATOM 481 CE2 TYR A 30 -1.855 -36.200 9.534 1.00 55.43 C ATOM 482 CZ TYR A 30 -2.538 -36.973 8.621 1.00 43.03 C ATOM 483 OH TYR A 30 -3.912 -37.059 8.687 1.00 73.34 O ATOM 0 H TYR A 30 1.773 -38.758 9.750 1.00 5.45 H new ATOM 0 HA TYR A 30 2.027 -38.266 6.959 1.00 11.22 H new ATOM 0 HB2 TYR A 30 2.145 -36.410 9.374 1.00 71.45 H new ATOM 0 HB3 TYR A 30 2.011 -35.870 7.712 1.00 71.45 H new ATOM 0 HD1 TYR A 30 0.052 -38.100 6.798 1.00 41.30 H new ATOM 0 HD2 TYR A 30 0.054 -35.505 10.183 1.00 25.44 H new ATOM 0 HE1 TYR A 30 -2.393 -38.264 6.928 1.00 10.25 H new ATOM 0 HE2 TYR A 30 -2.394 -35.665 10.302 1.00 55.43 H new ATOM 0 HH TYR A 30 -4.238 -36.518 9.437 1.00 73.34 H new ATOM 493 N ARG A 31 4.745 -38.014 8.748 1.00 23.42 N ATOM 494 CA ARG A 31 6.207 -37.878 8.682 1.00 2.52 C ATOM 495 C ARG A 31 6.820 -38.734 7.561 1.00 2.32 C ATOM 496 O ARG A 31 7.882 -38.407 7.030 1.00 52.02 O ATOM 497 CB ARG A 31 6.836 -38.262 10.032 1.00 43.43 C ATOM 498 CG ARG A 31 6.669 -37.206 11.123 1.00 74.04 C ATOM 499 CD ARG A 31 7.167 -37.701 12.480 1.00 65.12 C ATOM 500 NE ARG A 31 8.523 -38.244 12.415 1.00 64.35 N ATOM 501 CZ ARG A 31 9.259 -38.504 13.463 1.00 14.03 C ATOM 502 NH1 ARG A 31 8.836 -38.236 14.655 1.00 11.34 N ATOM 503 NH2 ARG A 31 10.426 -39.028 13.307 1.00 72.52 N ATOM 0 H ARG A 31 4.399 -38.352 9.646 1.00 23.42 H new ATOM 0 HA ARG A 31 6.424 -36.834 8.457 1.00 2.52 H new ATOM 0 HB2 ARG A 31 6.391 -39.196 10.375 1.00 43.43 H new ATOM 0 HB3 ARG A 31 7.899 -38.451 9.884 1.00 43.43 H new ATOM 0 HG2 ARG A 31 7.216 -36.306 10.843 1.00 74.04 H new ATOM 0 HG3 ARG A 31 5.618 -36.929 11.202 1.00 74.04 H new ATOM 0 HD2 ARG A 31 7.142 -36.878 13.195 1.00 65.12 H new ATOM 0 HD3 ARG A 31 6.489 -38.468 12.854 1.00 65.12 H new ATOM 0 HE ARG A 31 8.919 -38.432 11.494 1.00 64.35 H new ATOM 0 HH11 ARG A 31 7.916 -37.816 14.787 1.00 11.34 H new ATOM 0 HH12 ARG A 31 9.422 -38.445 15.463 1.00 11.34 H new ATOM 0 HH21 ARG A 31 10.770 -39.237 12.370 1.00 72.52 H new ATOM 0 HH22 ARG A 31 11.006 -39.233 14.121 1.00 72.52 H new ATOM 517 N GLN A 32 6.146 -39.824 7.201 1.00 44.22 N ATOM 518 CA GLN A 32 6.657 -40.752 6.184 1.00 41.41 C ATOM 519 C GLN A 32 6.056 -40.482 4.789 1.00 22.23 C ATOM 520 O GLN A 32 6.237 -41.280 3.867 1.00 2.23 O ATOM 521 CB GLN A 32 6.361 -42.200 6.602 1.00 44.13 C ATOM 522 CG GLN A 32 6.915 -42.575 7.974 1.00 20.24 C ATOM 523 CD GLN A 32 6.669 -44.030 8.337 1.00 23.31 C ATOM 524 OE1 GLN A 32 5.691 -44.637 7.910 1.00 52.13 O ATOM 525 NE2 GLN A 32 7.549 -44.595 9.138 1.00 15.24 N ATOM 0 H GLN A 32 5.244 -40.090 7.596 1.00 44.22 H new ATOM 0 HA GLN A 32 7.733 -40.595 6.114 1.00 41.41 H new ATOM 0 HB2 GLN A 32 5.282 -42.354 6.603 1.00 44.13 H new ATOM 0 HB3 GLN A 32 6.779 -42.876 5.856 1.00 44.13 H new ATOM 0 HG2 GLN A 32 7.987 -42.378 7.993 1.00 20.24 H new ATOM 0 HG3 GLN A 32 6.460 -41.936 8.730 1.00 20.24 H new ATOM 0 HE21 GLN A 32 8.350 -44.060 9.474 1.00 15.24 H new ATOM 0 HE22 GLN A 32 7.429 -45.567 9.422 1.00 15.24 H new ATOM 534 N GLY A 33 5.357 -39.358 4.626 1.00 1.34 N ATOM 535 CA GLY A 33 4.712 -39.065 3.345 1.00 72.14 C ATOM 536 C GLY A 33 4.610 -37.577 3.014 1.00 12.21 C ATOM 537 O GLY A 33 5.025 -37.142 1.939 1.00 12.12 O ATOM 0 H GLY A 33 5.224 -38.649 5.347 1.00 1.34 H new ATOM 0 HA2 GLY A 33 5.267 -39.564 2.550 1.00 72.14 H new ATOM 0 HA3 GLY A 33 3.709 -39.493 3.351 1.00 72.14 H new ATOM 541 N ALA A 34 4.036 -36.795 3.923 1.00 22.15 N ATOM 542 CA ALA A 34 3.801 -35.368 3.675 1.00 22.35 C ATOM 543 C ALA A 34 5.037 -34.511 3.983 1.00 71.31 C ATOM 544 O ALA A 34 5.180 -33.400 3.465 1.00 73.02 O ATOM 545 CB ALA A 34 2.614 -34.889 4.498 1.00 31.55 C ATOM 0 H ALA A 34 3.724 -37.120 4.838 1.00 22.15 H new ATOM 0 HA ALA A 34 3.585 -35.252 2.613 1.00 22.35 H new ATOM 0 HB1 ALA A 34 2.445 -33.829 4.310 1.00 31.55 H new ATOM 0 HB2 ALA A 34 1.725 -35.454 4.217 1.00 31.55 H new ATOM 0 HB3 ALA A 34 2.821 -35.041 5.557 1.00 31.55 H new ATOM 551 N TRP A 35 5.921 -35.023 4.834 1.00 65.23 N ATOM 552 CA TRP A 35 7.121 -34.287 5.249 1.00 61.13 C ATOM 553 C TRP A 35 8.165 -34.192 4.118 1.00 61.25 C ATOM 554 O TRP A 35 8.391 -35.146 3.373 1.00 22.12 O ATOM 555 CB TRP A 35 7.736 -34.946 6.495 1.00 4.41 C ATOM 556 CG TRP A 35 7.154 -34.488 7.814 1.00 42.33 C ATOM 557 CD1 TRP A 35 7.829 -34.391 8.997 1.00 13.32 C ATOM 558 CD2 TRP A 35 5.803 -34.063 8.093 1.00 61.34 C ATOM 559 NE1 TRP A 35 6.991 -33.947 9.988 1.00 43.20 N ATOM 560 CE2 TRP A 35 5.748 -33.737 9.461 1.00 72.13 C ATOM 561 CE3 TRP A 35 4.637 -33.928 7.331 1.00 74.20 C ATOM 562 CZ2 TRP A 35 4.585 -33.286 10.077 1.00 73.43 C ATOM 563 CZ3 TRP A 35 3.482 -33.479 7.944 1.00 1.22 C ATOM 564 CH2 TRP A 35 3.463 -33.162 9.306 1.00 52.11 C ATOM 0 H TRP A 35 5.832 -35.948 5.254 1.00 65.23 H new ATOM 0 HA TRP A 35 6.817 -33.269 5.491 1.00 61.13 H new ATOM 0 HB2 TRP A 35 7.611 -36.026 6.415 1.00 4.41 H new ATOM 0 HB3 TRP A 35 8.808 -34.749 6.500 1.00 4.41 H new ATOM 0 HD1 TRP A 35 8.873 -34.630 9.133 1.00 13.32 H new ATOM 0 HE1 TRP A 35 7.254 -33.798 10.962 1.00 43.20 H new ATOM 0 HE3 TRP A 35 4.639 -34.171 6.279 1.00 74.20 H new ATOM 0 HZ2 TRP A 35 4.569 -33.042 11.129 1.00 73.43 H new ATOM 0 HZ3 TRP A 35 2.579 -33.371 7.361 1.00 1.22 H new ATOM 0 HH2 TRP A 35 2.546 -32.813 9.757 1.00 52.11 H new ATOM 575 N ILE A 36 8.791 -33.020 4.006 1.00 12.14 N ATOM 576 CA ILE A 36 9.787 -32.741 2.962 1.00 11.32 C ATOM 577 C ILE A 36 11.015 -32.044 3.569 1.00 0.51 C ATOM 578 O ILE A 36 10.876 -31.015 4.240 1.00 12.30 O ATOM 579 CB ILE A 36 9.195 -31.832 1.850 1.00 1.33 C ATOM 580 CG1 ILE A 36 7.933 -32.472 1.243 1.00 31.34 C ATOM 581 CG2 ILE A 36 10.239 -31.557 0.766 1.00 24.22 C ATOM 582 CD1 ILE A 36 7.241 -31.608 0.207 1.00 61.30 C ATOM 0 H ILE A 36 8.624 -32.235 4.635 1.00 12.14 H new ATOM 0 HA ILE A 36 10.079 -33.695 2.524 1.00 11.32 H new ATOM 0 HB ILE A 36 8.912 -30.880 2.299 1.00 1.33 H new ATOM 0 HG12 ILE A 36 8.205 -33.423 0.785 1.00 31.34 H new ATOM 0 HG13 ILE A 36 7.229 -32.694 2.045 1.00 31.34 H new ATOM 0 HG21 ILE A 36 9.805 -30.919 -0.004 1.00 24.22 H new ATOM 0 HG22 ILE A 36 11.100 -31.057 1.209 1.00 24.22 H new ATOM 0 HG23 ILE A 36 10.557 -32.499 0.319 1.00 24.22 H new ATOM 0 HD11 ILE A 36 6.362 -32.129 -0.173 1.00 61.30 H new ATOM 0 HD12 ILE A 36 6.936 -30.666 0.664 1.00 61.30 H new ATOM 0 HD13 ILE A 36 7.927 -31.407 -0.616 1.00 61.30 H new ATOM 594 N GLU A 37 12.207 -32.602 3.337 1.00 20.42 N ATOM 595 CA GLU A 37 13.448 -32.048 3.902 1.00 64.21 C ATOM 596 C GLU A 37 13.655 -30.580 3.490 1.00 54.42 C ATOM 597 O GLU A 37 13.446 -30.209 2.330 1.00 20.22 O ATOM 598 CB GLU A 37 14.667 -32.890 3.484 1.00 32.23 C ATOM 599 CG GLU A 37 14.955 -32.880 1.984 1.00 14.43 C ATOM 600 CD GLU A 37 16.245 -33.605 1.628 1.00 12.33 C ATOM 601 OE1 GLU A 37 17.335 -33.031 1.846 1.00 42.42 O ATOM 602 OE2 GLU A 37 16.179 -34.749 1.135 1.00 22.41 O ATOM 0 H GLU A 37 12.342 -33.435 2.764 1.00 20.42 H new ATOM 0 HA GLU A 37 13.350 -32.084 4.987 1.00 64.21 H new ATOM 0 HB2 GLU A 37 15.546 -32.522 4.013 1.00 32.23 H new ATOM 0 HB3 GLU A 37 14.509 -33.920 3.805 1.00 32.23 H new ATOM 0 HG2 GLU A 37 14.123 -33.346 1.456 1.00 14.43 H new ATOM 0 HG3 GLU A 37 15.015 -31.849 1.637 1.00 14.43 H new ATOM 609 N GLY A 38 14.048 -29.748 4.450 1.00 63.13 N ATOM 610 CA GLY A 38 14.255 -28.325 4.194 1.00 72.12 C ATOM 611 C GLY A 38 12.951 -27.530 4.097 1.00 62.41 C ATOM 612 O GLY A 38 12.747 -26.558 4.825 1.00 72.30 O ATOM 0 H GLY A 38 14.230 -30.034 5.412 1.00 63.13 H new ATOM 0 HA2 GLY A 38 14.869 -27.906 4.991 1.00 72.12 H new ATOM 0 HA3 GLY A 38 14.814 -28.208 3.265 1.00 72.12 H new ATOM 616 N VAL A 39 12.066 -27.953 3.198 1.00 71.13 N ATOM 617 CA VAL A 39 10.805 -27.249 2.941 1.00 63.42 C ATOM 618 C VAL A 39 9.840 -27.307 4.143 1.00 1.35 C ATOM 619 O VAL A 39 9.248 -26.299 4.529 1.00 12.12 O ATOM 620 CB VAL A 39 10.098 -27.834 1.691 1.00 23.34 C ATOM 621 CG1 VAL A 39 8.837 -27.040 1.349 1.00 44.11 C ATOM 622 CG2 VAL A 39 11.055 -27.875 0.499 1.00 63.23 C ATOM 0 H VAL A 39 12.198 -28.789 2.628 1.00 71.13 H new ATOM 0 HA VAL A 39 11.064 -26.204 2.768 1.00 63.42 H new ATOM 0 HB VAL A 39 9.796 -28.855 1.922 1.00 23.34 H new ATOM 0 HG11 VAL A 39 8.362 -27.473 0.468 1.00 44.11 H new ATOM 0 HG12 VAL A 39 8.144 -27.077 2.190 1.00 44.11 H new ATOM 0 HG13 VAL A 39 9.104 -26.003 1.144 1.00 44.11 H new ATOM 0 HG21 VAL A 39 10.539 -28.289 -0.368 1.00 63.23 H new ATOM 0 HG22 VAL A 39 11.395 -26.865 0.271 1.00 63.23 H new ATOM 0 HG23 VAL A 39 11.914 -28.501 0.743 1.00 63.23 H new ATOM 632 N HIS A 40 9.668 -28.493 4.727 1.00 70.22 N ATOM 633 CA HIS A 40 8.734 -28.669 5.853 1.00 25.51 C ATOM 634 C HIS A 40 9.456 -28.949 7.188 1.00 24.53 C ATOM 635 O HIS A 40 8.862 -28.782 8.253 1.00 0.22 O ATOM 636 CB HIS A 40 7.725 -29.793 5.555 1.00 22.11 C ATOM 637 CG HIS A 40 6.732 -29.475 4.464 1.00 11.25 C ATOM 638 ND1 HIS A 40 6.766 -28.323 3.697 1.00 70.11 N ATOM 639 CD2 HIS A 40 5.662 -30.180 4.016 1.00 11.32 C ATOM 640 CE1 HIS A 40 5.769 -28.342 2.831 1.00 4.11 C ATOM 641 NE2 HIS A 40 5.090 -29.453 3.004 1.00 42.10 N ATOM 0 H HIS A 40 10.156 -29.343 4.446 1.00 70.22 H new ATOM 0 HA HIS A 40 8.202 -27.724 5.964 1.00 25.51 H new ATOM 0 HB2 HIS A 40 8.275 -30.692 5.277 1.00 22.11 H new ATOM 0 HB3 HIS A 40 7.178 -30.024 6.469 1.00 22.11 H new ATOM 0 HD2 HIS A 40 5.324 -31.136 4.388 1.00 11.32 H new ATOM 0 HE1 HIS A 40 5.549 -27.574 2.104 1.00 4.11 H new ATOM 0 HE2 HIS A 40 4.267 -29.731 2.470 1.00 42.10 H new ATOM 650 N PHE A 41 10.724 -29.375 7.140 1.00 52.31 N ATOM 651 CA PHE A 41 11.484 -29.655 8.375 1.00 54.13 C ATOM 652 C PHE A 41 13.003 -29.570 8.159 1.00 33.02 C ATOM 653 O PHE A 41 13.484 -29.662 7.032 1.00 51.43 O ATOM 654 CB PHE A 41 11.114 -31.040 8.941 1.00 14.14 C ATOM 655 CG PHE A 41 11.575 -32.220 8.110 1.00 42.32 C ATOM 656 CD1 PHE A 41 12.841 -32.768 8.291 1.00 53.40 C ATOM 657 CD2 PHE A 41 10.739 -32.790 7.162 1.00 51.34 C ATOM 658 CE1 PHE A 41 13.259 -33.851 7.543 1.00 54.53 C ATOM 659 CE2 PHE A 41 11.154 -33.876 6.414 1.00 61.51 C ATOM 660 CZ PHE A 41 12.414 -34.407 6.605 1.00 43.12 C ATOM 0 H PHE A 41 11.243 -29.533 6.276 1.00 52.31 H new ATOM 0 HA PHE A 41 11.208 -28.884 9.094 1.00 54.13 H new ATOM 0 HB2 PHE A 41 11.539 -31.132 9.941 1.00 14.14 H new ATOM 0 HB3 PHE A 41 10.031 -31.093 9.049 1.00 14.14 H new ATOM 0 HD1 PHE A 41 13.506 -32.340 9.027 1.00 53.40 H new ATOM 0 HD2 PHE A 41 9.752 -32.381 7.006 1.00 51.34 H new ATOM 0 HE1 PHE A 41 14.246 -34.262 7.692 1.00 54.53 H new ATOM 0 HE2 PHE A 41 10.492 -34.310 5.679 1.00 61.51 H new ATOM 0 HZ PHE A 41 12.737 -35.256 6.021 1.00 43.12 H new ATOM 670 N LYS A 42 13.752 -29.413 9.255 1.00 35.45 N ATOM 671 CA LYS A 42 15.224 -29.345 9.201 1.00 45.52 C ATOM 672 C LYS A 42 15.861 -29.917 10.480 1.00 3.52 C ATOM 673 O LYS A 42 15.271 -29.857 11.562 1.00 45.31 O ATOM 674 CB LYS A 42 15.687 -27.890 9.015 1.00 52.53 C ATOM 675 CG LYS A 42 15.314 -26.977 10.184 1.00 72.35 C ATOM 676 CD LYS A 42 15.869 -25.562 10.026 1.00 15.42 C ATOM 677 CE LYS A 42 17.391 -25.544 10.055 1.00 73.20 C ATOM 678 NZ LYS A 42 17.926 -24.158 10.099 1.00 41.44 N ATOM 0 H LYS A 42 13.366 -29.330 10.195 1.00 35.45 H new ATOM 0 HA LYS A 42 15.547 -29.946 8.351 1.00 45.52 H new ATOM 0 HB2 LYS A 42 16.769 -27.875 8.884 1.00 52.53 H new ATOM 0 HB3 LYS A 42 15.249 -27.492 8.099 1.00 52.53 H new ATOM 0 HG2 LYS A 42 14.229 -26.930 10.271 1.00 72.35 H new ATOM 0 HG3 LYS A 42 15.690 -27.409 11.112 1.00 72.35 H new ATOM 0 HD2 LYS A 42 15.519 -25.137 9.085 1.00 15.42 H new ATOM 0 HD3 LYS A 42 15.483 -24.929 10.825 1.00 15.42 H new ATOM 0 HE2 LYS A 42 17.745 -26.098 10.925 1.00 73.20 H new ATOM 0 HE3 LYS A 42 17.777 -26.055 9.173 1.00 73.20 H new ATOM 0 HZ1 LYS A 42 18.965 -24.188 10.118 1.00 41.44 H new ATOM 0 HZ2 LYS A 42 17.610 -23.637 9.256 1.00 41.44 H new ATOM 0 HZ3 LYS A 42 17.578 -23.678 10.954 1.00 41.44 H new ATOM 692 N ARG A 43 17.070 -30.462 10.354 1.00 53.43 N ATOM 693 CA ARG A 43 17.808 -30.988 11.512 1.00 32.04 C ATOM 694 C ARG A 43 18.696 -29.899 12.134 1.00 15.54 C ATOM 695 O ARG A 43 19.541 -29.314 11.454 1.00 14.44 O ATOM 696 CB ARG A 43 18.675 -32.181 11.100 1.00 31.14 C ATOM 697 CG ARG A 43 17.906 -33.293 10.392 1.00 31.43 C ATOM 698 CD ARG A 43 18.823 -34.446 9.999 1.00 20.01 C ATOM 699 NE ARG A 43 19.982 -33.991 9.227 1.00 21.32 N ATOM 700 CZ ARG A 43 20.777 -34.780 8.561 1.00 24.44 C ATOM 701 NH1 ARG A 43 20.550 -36.052 8.508 1.00 51.22 N ATOM 702 NH2 ARG A 43 21.798 -34.291 7.942 1.00 2.11 N ATOM 0 H ARG A 43 17.562 -30.553 9.465 1.00 53.43 H new ATOM 0 HA ARG A 43 17.078 -31.314 12.253 1.00 32.04 H new ATOM 0 HB2 ARG A 43 19.471 -31.829 10.444 1.00 31.14 H new ATOM 0 HB3 ARG A 43 19.154 -32.593 11.988 1.00 31.14 H new ATOM 0 HG2 ARG A 43 17.115 -33.662 11.045 1.00 31.43 H new ATOM 0 HG3 ARG A 43 17.422 -32.892 9.501 1.00 31.43 H new ATOM 0 HD2 ARG A 43 19.166 -34.959 10.898 1.00 20.01 H new ATOM 0 HD3 ARG A 43 18.260 -35.172 9.413 1.00 20.01 H new ATOM 0 HE ARG A 43 20.180 -32.990 9.210 1.00 21.32 H new ATOM 0 HH11 ARG A 43 19.742 -36.446 8.990 1.00 51.22 H new ATOM 0 HH12 ARG A 43 21.179 -36.661 7.984 1.00 51.22 H new ATOM 0 HH21 ARG A 43 21.982 -33.288 7.974 1.00 2.11 H new ATOM 0 HH22 ARG A 43 22.421 -34.907 7.420 1.00 2.11 H new ATOM 716 N VAL A 44 18.513 -29.639 13.425 1.00 15.43 N ATOM 717 CA VAL A 44 19.273 -28.592 14.122 1.00 30.03 C ATOM 718 C VAL A 44 20.079 -29.153 15.309 1.00 1.32 C ATOM 719 O VAL A 44 19.509 -29.679 16.269 1.00 43.42 O ATOM 720 CB VAL A 44 18.333 -27.471 14.640 1.00 44.31 C ATOM 721 CG1 VAL A 44 19.120 -26.398 15.393 1.00 34.33 C ATOM 722 CG2 VAL A 44 17.537 -26.855 13.491 1.00 50.45 C ATOM 0 H VAL A 44 17.846 -30.136 14.015 1.00 15.43 H new ATOM 0 HA VAL A 44 19.969 -28.181 13.391 1.00 30.03 H new ATOM 0 HB VAL A 44 17.628 -27.921 15.338 1.00 44.31 H new ATOM 0 HG11 VAL A 44 18.437 -25.625 15.745 1.00 34.33 H new ATOM 0 HG12 VAL A 44 19.627 -26.850 16.246 1.00 34.33 H new ATOM 0 HG13 VAL A 44 19.858 -25.953 14.726 1.00 34.33 H new ATOM 0 HG21 VAL A 44 16.885 -26.072 13.879 1.00 50.45 H new ATOM 0 HG22 VAL A 44 18.224 -26.427 12.761 1.00 50.45 H new ATOM 0 HG23 VAL A 44 16.933 -27.626 13.013 1.00 50.45 H new ATOM 876 N THR A 55 18.228 -32.598 16.785 1.00 41.12 N ATOM 877 CA THR A 55 16.807 -32.263 16.976 1.00 60.25 C ATOM 878 C THR A 55 16.185 -31.673 15.701 1.00 40.11 C ATOM 879 O THR A 55 16.609 -30.623 15.222 1.00 5.21 O ATOM 880 CB THR A 55 16.617 -31.258 18.139 1.00 14.50 C ATOM 881 OG1 THR A 55 17.139 -31.811 19.360 1.00 73.55 O ATOM 882 CG2 THR A 55 15.147 -30.895 18.332 1.00 70.22 C ATOM 0 HA THR A 55 16.300 -33.197 17.218 1.00 60.25 H new ATOM 0 HB THR A 55 17.162 -30.350 17.883 1.00 14.50 H new ATOM 0 HG1 THR A 55 17.838 -32.465 19.150 1.00 73.55 H new ATOM 0 HG21 THR A 55 15.052 -30.188 19.156 1.00 70.22 H new ATOM 0 HG22 THR A 55 14.761 -30.442 17.419 1.00 70.22 H new ATOM 0 HG23 THR A 55 14.577 -31.796 18.559 1.00 70.22 H new ATOM 890 N THR A 56 15.183 -32.358 15.155 1.00 54.13 N ATOM 891 CA THR A 56 14.516 -31.914 13.921 1.00 0.11 C ATOM 892 C THR A 56 13.295 -31.027 14.220 1.00 73.25 C ATOM 893 O THR A 56 12.382 -31.430 14.943 1.00 71.24 O ATOM 894 CB THR A 56 14.061 -33.124 13.060 1.00 55.34 C ATOM 895 OG1 THR A 56 15.192 -33.928 12.693 1.00 31.50 O ATOM 896 CG2 THR A 56 13.336 -32.668 11.797 1.00 44.03 C ATOM 0 H THR A 56 14.811 -33.224 15.544 1.00 54.13 H new ATOM 0 HA THR A 56 15.250 -31.330 13.366 1.00 0.11 H new ATOM 0 HB THR A 56 13.371 -33.714 13.663 1.00 55.34 H new ATOM 0 HG1 THR A 56 14.891 -34.688 12.152 1.00 31.50 H new ATOM 0 HG21 THR A 56 13.031 -33.540 11.218 1.00 44.03 H new ATOM 0 HG22 THR A 56 12.454 -32.089 12.072 1.00 44.03 H new ATOM 0 HG23 THR A 56 14.004 -32.049 11.198 1.00 44.03 H new ATOM 904 N TRP A 57 13.284 -29.825 13.647 1.00 43.32 N ATOM 905 CA TRP A 57 12.182 -28.874 13.836 1.00 60.42 C ATOM 906 C TRP A 57 11.251 -28.856 12.612 1.00 42.33 C ATOM 907 O TRP A 57 11.695 -29.061 11.480 1.00 42.45 O ATOM 908 CB TRP A 57 12.744 -27.468 14.099 1.00 52.44 C ATOM 909 CG TRP A 57 13.592 -27.385 15.339 1.00 0.40 C ATOM 910 CD1 TRP A 57 14.830 -27.932 15.525 1.00 53.31 C ATOM 911 CD2 TRP A 57 13.267 -26.710 16.560 1.00 35.44 C ATOM 912 NE1 TRP A 57 15.290 -27.642 16.786 1.00 44.13 N ATOM 913 CE2 TRP A 57 14.349 -26.894 17.441 1.00 71.23 C ATOM 914 CE3 TRP A 57 12.164 -25.970 16.997 1.00 64.41 C ATOM 915 CZ2 TRP A 57 14.361 -26.364 18.728 1.00 60.13 C ATOM 916 CZ3 TRP A 57 12.176 -25.444 18.276 1.00 54.11 C ATOM 917 CH2 TRP A 57 13.269 -25.644 19.128 1.00 23.20 C ATOM 0 H TRP A 57 14.031 -29.482 13.043 1.00 43.32 H new ATOM 0 HA TRP A 57 11.597 -29.193 14.699 1.00 60.42 H new ATOM 0 HB2 TRP A 57 13.338 -27.156 13.240 1.00 52.44 H new ATOM 0 HB3 TRP A 57 11.916 -26.764 14.186 1.00 52.44 H new ATOM 0 HD1 TRP A 57 15.369 -28.509 14.788 1.00 53.31 H new ATOM 0 HE1 TRP A 57 16.187 -27.936 17.172 1.00 44.13 H new ATOM 0 HE3 TRP A 57 11.317 -25.812 16.346 1.00 64.41 H new ATOM 0 HZ2 TRP A 57 15.203 -26.516 19.387 1.00 60.13 H new ATOM 0 HZ3 TRP A 57 11.329 -24.870 18.623 1.00 54.11 H new ATOM 0 HH2 TRP A 57 13.249 -25.221 20.122 1.00 23.20 H new ATOM 928 N TYR A 58 9.963 -28.608 12.848 1.00 12.13 N ATOM 929 CA TYR A 58 8.948 -28.628 11.782 1.00 32.15 C ATOM 930 C TYR A 58 8.338 -27.232 11.546 1.00 75.42 C ATOM 931 O TYR A 58 8.235 -26.426 12.473 1.00 3.14 O ATOM 932 CB TYR A 58 7.835 -29.624 12.144 1.00 11.53 C ATOM 933 CG TYR A 58 8.350 -31.016 12.477 1.00 21.14 C ATOM 934 CD1 TYR A 58 8.962 -31.798 11.507 1.00 23.13 C ATOM 935 CD2 TYR A 58 8.236 -31.543 13.761 1.00 52.40 C ATOM 936 CE1 TYR A 58 9.443 -33.060 11.800 1.00 42.31 C ATOM 937 CE2 TYR A 58 8.718 -32.805 14.061 1.00 23.25 C ATOM 938 CZ TYR A 58 9.320 -33.560 13.076 1.00 14.35 C ATOM 939 OH TYR A 58 9.801 -34.818 13.366 1.00 31.23 O ATOM 0 H TYR A 58 9.591 -28.389 13.772 1.00 12.13 H new ATOM 0 HA TYR A 58 9.440 -28.938 10.860 1.00 32.15 H new ATOM 0 HB2 TYR A 58 7.277 -29.238 12.997 1.00 11.53 H new ATOM 0 HB3 TYR A 58 7.136 -29.694 11.311 1.00 11.53 H new ATOM 0 HD1 TYR A 58 9.064 -31.412 10.503 1.00 23.13 H new ATOM 0 HD2 TYR A 58 7.764 -30.957 14.536 1.00 52.40 H new ATOM 0 HE1 TYR A 58 9.914 -33.652 11.030 1.00 42.31 H new ATOM 0 HE2 TYR A 58 8.623 -33.197 15.063 1.00 23.25 H new ATOM 0 HH TYR A 58 9.637 -35.021 14.311 1.00 31.23 H new ATOM 949 N ASN A 59 7.931 -26.966 10.301 1.00 62.14 N ATOM 950 CA ASN A 59 7.301 -25.685 9.925 1.00 22.21 C ATOM 951 C ASN A 59 5.776 -25.708 10.115 1.00 24.21 C ATOM 952 O ASN A 59 5.064 -26.428 9.409 1.00 71.14 O ATOM 953 CB ASN A 59 7.616 -25.348 8.459 1.00 23.14 C ATOM 954 CG ASN A 59 8.997 -24.758 8.271 1.00 53.01 C ATOM 955 OD1 ASN A 59 9.498 -24.053 9.133 1.00 32.43 O ATOM 956 ND2 ASN A 59 9.615 -25.021 7.135 1.00 50.50 N ATOM 0 H ASN A 59 8.025 -27.623 9.527 1.00 62.14 H new ATOM 0 HA ASN A 59 7.715 -24.923 10.586 1.00 22.21 H new ATOM 0 HB2 ASN A 59 7.528 -26.253 7.857 1.00 23.14 H new ATOM 0 HB3 ASN A 59 6.872 -24.644 8.086 1.00 23.14 H new ATOM 0 HD21 ASN A 59 10.540 -24.631 6.956 1.00 50.50 H new ATOM 0 HD22 ASN A 59 9.167 -25.614 6.436 1.00 50.50 H new ATOM 963 N TYR A 60 5.275 -24.892 11.044 1.00 31.21 N ATOM 964 CA TYR A 60 3.828 -24.780 11.278 1.00 3.51 C ATOM 965 C TYR A 60 3.065 -24.265 10.033 1.00 53.14 C ATOM 966 O TYR A 60 2.056 -24.853 9.655 1.00 0.04 O ATOM 967 CB TYR A 60 3.531 -23.875 12.483 1.00 52.41 C ATOM 968 CG TYR A 60 2.046 -23.711 12.772 1.00 34.22 C ATOM 969 CD1 TYR A 60 1.336 -24.697 13.451 1.00 72.40 C ATOM 970 CD2 TYR A 60 1.351 -22.578 12.352 1.00 32.25 C ATOM 971 CE1 TYR A 60 -0.016 -24.560 13.702 1.00 70.14 C ATOM 972 CE2 TYR A 60 -0.002 -22.434 12.603 1.00 10.35 C ATOM 973 CZ TYR A 60 -0.680 -23.428 13.276 1.00 74.02 C ATOM 974 OH TYR A 60 -2.029 -23.293 13.524 1.00 71.24 O ATOM 0 H TYR A 60 5.845 -24.299 11.647 1.00 31.21 H new ATOM 0 HA TYR A 60 3.473 -25.788 11.491 1.00 3.51 H new ATOM 0 HB2 TYR A 60 4.021 -24.287 13.365 1.00 52.41 H new ATOM 0 HB3 TYR A 60 3.968 -22.893 12.305 1.00 52.41 H new ATOM 0 HD1 TYR A 60 1.851 -25.585 13.788 1.00 72.40 H new ATOM 0 HD2 TYR A 60 1.878 -21.799 11.821 1.00 32.25 H new ATOM 0 HE1 TYR A 60 -0.551 -25.336 14.230 1.00 70.14 H new ATOM 0 HE2 TYR A 60 -0.524 -21.548 12.274 1.00 10.35 H new ATOM 0 HH TYR A 60 -2.345 -22.439 13.160 1.00 71.24 H new ATOM 984 N PRO A 61 3.515 -23.159 9.378 1.00 61.21 N ATOM 985 CA PRO A 61 2.825 -22.619 8.185 1.00 12.23 C ATOM 986 C PRO A 61 2.708 -23.651 7.051 1.00 1.14 C ATOM 987 O PRO A 61 1.728 -23.668 6.303 1.00 61.33 O ATOM 988 CB PRO A 61 3.709 -21.431 7.755 1.00 61.43 C ATOM 989 CG PRO A 61 5.021 -21.655 8.432 1.00 62.22 C ATOM 990 CD PRO A 61 4.699 -22.348 9.726 1.00 63.12 C ATOM 0 HA PRO A 61 1.797 -22.336 8.410 1.00 12.23 H new ATOM 0 HB2 PRO A 61 3.825 -21.398 6.672 1.00 61.43 H new ATOM 0 HB3 PRO A 61 3.267 -20.482 8.057 1.00 61.43 H new ATOM 0 HG2 PRO A 61 5.681 -22.265 7.815 1.00 62.22 H new ATOM 0 HG3 PRO A 61 5.535 -20.711 8.611 1.00 62.22 H new ATOM 0 HD2 PRO A 61 5.527 -22.968 10.070 1.00 63.12 H new ATOM 0 HD3 PRO A 61 4.482 -21.636 10.523 1.00 63.12 H new ATOM 998 N GLU A 62 3.713 -24.517 6.940 1.00 35.53 N ATOM 999 CA GLU A 62 3.717 -25.583 5.934 1.00 35.14 C ATOM 1000 C GLU A 62 2.731 -26.699 6.303 1.00 24.14 C ATOM 1001 O GLU A 62 1.922 -27.130 5.481 1.00 62.33 O ATOM 1002 CB GLU A 62 5.131 -26.156 5.789 1.00 72.24 C ATOM 1003 CG GLU A 62 6.157 -25.141 5.296 1.00 60.40 C ATOM 1004 CD GLU A 62 5.922 -24.728 3.852 1.00 62.12 C ATOM 1005 OE1 GLU A 62 5.131 -23.791 3.609 1.00 23.11 O ATOM 1006 OE2 GLU A 62 6.527 -25.347 2.952 1.00 71.22 O ATOM 0 H GLU A 62 4.540 -24.503 7.537 1.00 35.53 H new ATOM 0 HA GLU A 62 3.400 -25.155 4.983 1.00 35.14 H new ATOM 0 HB2 GLU A 62 5.455 -26.548 6.753 1.00 72.24 H new ATOM 0 HB3 GLU A 62 5.103 -26.997 5.096 1.00 72.24 H new ATOM 0 HG2 GLU A 62 6.124 -24.257 5.933 1.00 60.40 H new ATOM 0 HG3 GLU A 62 7.157 -25.565 5.391 1.00 60.40 H new ATOM 1013 N ILE A 63 2.805 -27.165 7.547 1.00 72.12 N ATOM 1014 CA ILE A 63 1.881 -28.193 8.038 1.00 53.14 C ATOM 1015 C ILE A 63 0.431 -27.674 8.040 1.00 53.51 C ATOM 1016 O ILE A 63 -0.510 -28.435 7.818 1.00 12.23 O ATOM 1017 CB ILE A 63 2.279 -28.671 9.459 1.00 11.42 C ATOM 1018 CG1 ILE A 63 3.703 -29.256 9.434 1.00 53.30 C ATOM 1019 CG2 ILE A 63 1.278 -29.700 9.997 1.00 55.20 C ATOM 1020 CD1 ILE A 63 4.221 -29.687 10.791 1.00 54.21 C ATOM 0 H ILE A 63 3.491 -26.851 8.234 1.00 72.12 H new ATOM 0 HA ILE A 63 1.945 -29.043 7.359 1.00 53.14 H new ATOM 0 HB ILE A 63 2.261 -27.813 10.131 1.00 11.42 H new ATOM 0 HG12 ILE A 63 3.720 -30.114 8.762 1.00 53.30 H new ATOM 0 HG13 ILE A 63 4.382 -28.512 9.018 1.00 53.30 H new ATOM 0 HG21 ILE A 63 1.583 -30.017 10.994 1.00 55.20 H new ATOM 0 HG22 ILE A 63 0.286 -29.251 10.046 1.00 55.20 H new ATOM 0 HG23 ILE A 63 1.253 -30.564 9.334 1.00 55.20 H new ATOM 0 HD11 ILE A 63 5.229 -30.087 10.685 1.00 54.21 H new ATOM 0 HD12 ILE A 63 4.240 -28.829 11.463 1.00 54.21 H new ATOM 0 HD13 ILE A 63 3.567 -30.456 11.203 1.00 54.21 H new ATOM 1032 N ASN A 64 0.266 -26.371 8.271 1.00 31.42 N ATOM 1033 CA ASN A 64 -1.049 -25.723 8.208 1.00 61.51 C ATOM 1034 C ASN A 64 -1.674 -25.907 6.816 1.00 32.04 C ATOM 1035 O ASN A 64 -2.867 -26.196 6.688 1.00 50.13 O ATOM 1036 CB ASN A 64 -0.920 -24.230 8.538 1.00 3.15 C ATOM 1037 CG ASN A 64 -2.257 -23.514 8.533 1.00 41.31 C ATOM 1038 OD1 ASN A 64 -2.944 -23.448 9.547 1.00 52.31 O ATOM 1039 ND2 ASN A 64 -2.637 -22.968 7.395 1.00 11.23 N ATOM 0 H ASN A 64 1.031 -25.738 8.505 1.00 31.42 H new ATOM 0 HA ASN A 64 -1.702 -26.191 8.945 1.00 61.51 H new ATOM 0 HB2 ASN A 64 -0.455 -24.117 9.517 1.00 3.15 H new ATOM 0 HB3 ASN A 64 -0.256 -23.758 7.814 1.00 3.15 H new ATOM 0 HD21 ASN A 64 -3.527 -22.472 7.339 1.00 11.23 H new ATOM 0 HD22 ASN A 64 -2.041 -23.041 6.570 1.00 11.23 H new ATOM 1046 N LYS A 65 -0.854 -25.742 5.777 1.00 41.32 N ATOM 1047 CA LYS A 65 -1.282 -26.014 4.403 1.00 60.20 C ATOM 1048 C LYS A 65 -1.691 -27.486 4.248 1.00 41.20 C ATOM 1049 O LYS A 65 -2.714 -27.802 3.633 1.00 55.21 O ATOM 1050 CB LYS A 65 -0.153 -25.674 3.415 1.00 43.31 C ATOM 1051 CG LYS A 65 -0.441 -26.071 1.968 1.00 2.12 C ATOM 1052 CD LYS A 65 -1.703 -25.401 1.436 1.00 53.31 C ATOM 1053 CE LYS A 65 -2.028 -25.855 0.018 1.00 14.00 C ATOM 1054 NZ LYS A 65 -3.215 -25.153 -0.529 1.00 2.41 N ATOM 0 H LYS A 65 0.111 -25.421 5.860 1.00 41.32 H new ATOM 0 HA LYS A 65 -2.146 -25.387 4.181 1.00 60.20 H new ATOM 0 HB2 LYS A 65 0.037 -24.601 3.454 1.00 43.31 H new ATOM 0 HB3 LYS A 65 0.761 -26.171 3.741 1.00 43.31 H new ATOM 0 HG2 LYS A 65 0.407 -25.798 1.341 1.00 2.12 H new ATOM 0 HG3 LYS A 65 -0.550 -27.154 1.903 1.00 2.12 H new ATOM 0 HD2 LYS A 65 -2.542 -25.631 2.093 1.00 53.31 H new ATOM 0 HD3 LYS A 65 -1.574 -24.319 1.451 1.00 53.31 H new ATOM 0 HE2 LYS A 65 -1.169 -25.673 -0.628 1.00 14.00 H new ATOM 0 HE3 LYS A 65 -2.208 -26.930 0.013 1.00 14.00 H new ATOM 0 HZ1 LYS A 65 -3.403 -25.490 -1.495 1.00 2.41 H new ATOM 0 HZ2 LYS A 65 -4.041 -25.347 0.072 1.00 2.41 H new ATOM 0 HZ3 LYS A 65 -3.034 -24.129 -0.549 1.00 2.41 H new ATOM 1068 N PHE A 66 -0.889 -28.384 4.815 1.00 4.40 N ATOM 1069 CA PHE A 66 -1.201 -29.812 4.779 1.00 5.11 C ATOM 1070 C PHE A 66 -2.518 -30.126 5.513 1.00 63.20 C ATOM 1071 O PHE A 66 -3.243 -31.037 5.123 1.00 20.15 O ATOM 1072 CB PHE A 66 -0.057 -30.642 5.371 1.00 73.13 C ATOM 1073 CG PHE A 66 -0.360 -32.119 5.386 1.00 41.02 C ATOM 1074 CD1 PHE A 66 -0.426 -32.838 4.200 1.00 42.04 C ATOM 1075 CD2 PHE A 66 -0.601 -32.782 6.579 1.00 51.01 C ATOM 1076 CE1 PHE A 66 -0.723 -34.186 4.206 1.00 63.41 C ATOM 1077 CE2 PHE A 66 -0.899 -34.129 6.588 1.00 50.53 C ATOM 1078 CZ PHE A 66 -0.961 -34.833 5.402 1.00 22.41 C ATOM 0 H PHE A 66 -0.024 -28.151 5.302 1.00 4.40 H new ATOM 0 HA PHE A 66 -1.325 -30.085 3.731 1.00 5.11 H new ATOM 0 HB2 PHE A 66 0.851 -30.467 4.793 1.00 73.13 H new ATOM 0 HB3 PHE A 66 0.143 -30.305 6.388 1.00 73.13 H new ATOM 0 HD1 PHE A 66 -0.243 -32.336 3.261 1.00 42.04 H new ATOM 0 HD2 PHE A 66 -0.555 -32.239 7.511 1.00 51.01 H new ATOM 0 HE1 PHE A 66 -0.769 -34.734 3.276 1.00 63.41 H new ATOM 0 HE2 PHE A 66 -1.084 -34.634 7.525 1.00 50.53 H new ATOM 0 HZ PHE A 66 -1.195 -35.887 5.410 1.00 22.41 H new ATOM 1088 N ILE A 67 -2.825 -29.375 6.574 1.00 21.40 N ATOM 1089 CA ILE A 67 -4.103 -29.534 7.286 1.00 21.33 C ATOM 1090 C ILE A 67 -5.293 -29.383 6.321 1.00 64.50 C ATOM 1091 O ILE A 67 -6.287 -30.103 6.425 1.00 51.41 O ATOM 1092 CB ILE A 67 -4.243 -28.517 8.452 1.00 42.00 C ATOM 1093 CG1 ILE A 67 -3.152 -28.757 9.516 1.00 33.35 C ATOM 1094 CG2 ILE A 67 -5.636 -28.595 9.080 1.00 63.42 C ATOM 1095 CD1 ILE A 67 -3.208 -27.792 10.686 1.00 43.53 C ATOM 0 H ILE A 67 -2.214 -28.655 6.959 1.00 21.40 H new ATOM 0 HA ILE A 67 -4.109 -30.540 7.707 1.00 21.33 H new ATOM 0 HB ILE A 67 -4.111 -27.514 8.045 1.00 42.00 H new ATOM 0 HG12 ILE A 67 -3.245 -29.775 9.893 1.00 33.35 H new ATOM 0 HG13 ILE A 67 -2.173 -28.681 9.042 1.00 33.35 H new ATOM 0 HG21 ILE A 67 -5.709 -27.874 9.894 1.00 63.42 H new ATOM 0 HG22 ILE A 67 -6.389 -28.368 8.325 1.00 63.42 H new ATOM 0 HG23 ILE A 67 -5.804 -29.599 9.469 1.00 63.42 H new ATOM 0 HD11 ILE A 67 -2.409 -28.026 11.390 1.00 43.53 H new ATOM 0 HD12 ILE A 67 -3.084 -26.772 10.323 1.00 43.53 H new ATOM 0 HD13 ILE A 67 -4.172 -27.884 11.187 1.00 43.53 H new