USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 500 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 24 MET CE :methyl -147:sc= -0.948 (180deg=-0.0126) USER MOD Set 1.2: A 27 TYR OH : rot 167:sc= 1.29 USER MOD Set 1.3: A 60 HIS : no HD1:sc= -1.57! C(o=-1.2!,f=-11!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00448 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -89:sc= 0.417 USER MOD Single : A 23 LYS NZ :NH3+ -117:sc= -0.0654 (180deg=-0.91) USER MOD Single : A 25 GLN : amide:sc= 0.0016 K(o=0.0016,f=-0.73) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 28 THR OG1 : rot 112:sc= -0.874 USER MOD Single : A 30 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.75) USER MOD Single : A 32 MET CE :methyl -131:sc= -0.196 (180deg=-0.588) USER MOD Single : A 36 TYR OH : rot -94:sc= 0.132 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.12) USER MOD Single : A 45 MET CE :methyl -128:sc= -0.022 (180deg=-0.688) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 47 ASN : amide:sc= -0.334 K(o=-0.33,f=-1.6) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.23 X(o=-2.2,f=-2.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -118:sc= -0.459 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0.0446 (180deg=0.0349) USER MOD ----------------------------------------------------------------- ATOM 138 N ARG A 13 24.193 -15.046 -11.654 1.00 0.00 N ATOM 139 CA ARG A 13 23.531 -15.038 -12.952 1.00 0.00 C ATOM 140 C ARG A 13 23.688 -16.385 -13.651 1.00 0.00 C ATOM 141 O ARG A 13 22.863 -16.767 -14.482 1.00 0.00 O ATOM 142 CB ARG A 13 24.101 -13.925 -13.833 1.00 0.00 C ATOM 143 CG ARG A 13 25.603 -14.025 -14.045 1.00 0.00 C ATOM 144 CD ARG A 13 26.300 -12.713 -13.720 1.00 0.00 C ATOM 145 NE ARG A 13 26.280 -12.422 -12.289 1.00 0.00 N ATOM 146 CZ ARG A 13 26.587 -11.236 -11.776 1.00 0.00 C ATOM 147 NH1 ARG A 13 26.934 -10.235 -12.573 1.00 0.00 N ATOM 148 NH2 ARG A 13 26.545 -11.049 -10.463 1.00 0.00 N ATOM 0 HA ARG A 13 22.469 -14.854 -12.788 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.603 -13.950 -14.802 1.00 0.00 H new ATOM 0 HB3 ARG A 13 23.870 -12.961 -13.381 1.00 0.00 H new ATOM 0 HG2 ARG A 13 26.008 -14.819 -13.417 1.00 0.00 H new ATOM 0 HG3 ARG A 13 25.808 -14.301 -15.079 1.00 0.00 H new ATOM 0 HD2 ARG A 13 27.332 -12.756 -14.067 1.00 0.00 H new ATOM 0 HD3 ARG A 13 25.815 -11.901 -14.262 1.00 0.00 H new ATOM 0 HE ARG A 13 26.016 -13.171 -11.648 1.00 0.00 H new ATOM 0 HH11 ARG A 13 26.966 -10.375 -13.583 1.00 0.00 H new ATOM 0 HH12 ARG A 13 27.169 -9.325 -12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 13 26.277 -11.816 -9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 13 26.781 -10.138 -10.070 1.00 0.00 H new ATOM 162 N THR A 14 24.754 -17.103 -13.309 1.00 0.00 N ATOM 163 CA THR A 14 25.022 -18.406 -13.904 1.00 0.00 C ATOM 164 C THR A 14 25.181 -19.478 -12.831 1.00 0.00 C ATOM 165 O THR A 14 25.477 -19.175 -11.676 1.00 0.00 O ATOM 166 CB THR A 14 26.291 -18.376 -14.776 1.00 0.00 C ATOM 167 OG1 THR A 14 27.439 -18.113 -13.961 1.00 0.00 O ATOM 168 CG2 THR A 14 26.178 -17.315 -15.860 1.00 0.00 C ATOM 0 H THR A 14 25.446 -16.803 -12.622 1.00 0.00 H new ATOM 0 HA THR A 14 24.165 -18.649 -14.532 1.00 0.00 H new ATOM 0 HB THR A 14 26.400 -19.350 -15.254 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.242 -18.097 -14.522 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.086 -17.313 -16.463 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.321 -17.535 -16.496 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.046 -16.336 -15.399 1.00 0.00 H new ATOM 176 N VAL A 15 24.983 -20.733 -13.222 1.00 0.00 N ATOM 177 CA VAL A 15 25.107 -21.851 -12.294 1.00 0.00 C ATOM 178 C VAL A 15 26.553 -22.040 -11.851 1.00 0.00 C ATOM 179 O VAL A 15 26.819 -22.577 -10.776 1.00 0.00 O ATOM 180 CB VAL A 15 24.598 -23.161 -12.923 1.00 0.00 C ATOM 181 CG1 VAL A 15 24.774 -24.322 -11.955 1.00 0.00 C ATOM 182 CG2 VAL A 15 23.143 -23.021 -13.341 1.00 0.00 C ATOM 0 H VAL A 15 24.736 -21.001 -14.175 1.00 0.00 H new ATOM 0 HA VAL A 15 24.493 -21.611 -11.426 1.00 0.00 H new ATOM 0 HB VAL A 15 25.190 -23.369 -13.814 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.409 -25.239 -12.417 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.830 -24.435 -11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.209 -24.125 -11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.800 -23.956 -13.784 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.534 -22.788 -12.467 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.050 -22.218 -14.072 1.00 0.00 H new ATOM 192 N SER A 16 27.485 -21.594 -12.687 1.00 0.00 N ATOM 193 CA SER A 16 28.906 -21.718 -12.384 1.00 0.00 C ATOM 194 C SER A 16 29.288 -20.832 -11.202 1.00 0.00 C ATOM 195 O SER A 16 29.811 -21.313 -10.197 1.00 0.00 O ATOM 196 CB SER A 16 29.745 -21.343 -13.608 1.00 0.00 C ATOM 197 OG SER A 16 31.116 -21.629 -13.393 1.00 0.00 O ATOM 0 H SER A 16 27.282 -21.144 -13.579 1.00 0.00 H new ATOM 0 HA SER A 16 29.107 -22.756 -12.119 1.00 0.00 H new ATOM 0 HB2 SER A 16 29.388 -21.892 -14.480 1.00 0.00 H new ATOM 0 HB3 SER A 16 29.621 -20.282 -13.827 1.00 0.00 H new ATOM 0 HG SER A 16 31.631 -21.382 -14.190 1.00 0.00 H new ATOM 203 N GLU A 17 29.023 -19.536 -11.331 1.00 0.00 N ATOM 204 CA GLU A 17 29.339 -18.583 -10.274 1.00 0.00 C ATOM 205 C GLU A 17 28.673 -18.985 -8.961 1.00 0.00 C ATOM 206 O GLU A 17 29.139 -18.626 -7.880 1.00 0.00 O ATOM 207 CB GLU A 17 28.893 -17.176 -10.675 1.00 0.00 C ATOM 208 CG GLU A 17 29.474 -16.707 -11.998 1.00 0.00 C ATOM 209 CD GLU A 17 30.628 -15.739 -11.819 1.00 0.00 C ATOM 210 OE1 GLU A 17 31.713 -16.182 -11.389 1.00 0.00 O ATOM 211 OE2 GLU A 17 30.445 -14.538 -12.109 1.00 0.00 O ATOM 0 H GLU A 17 28.590 -19.122 -12.157 1.00 0.00 H new ATOM 0 HA GLU A 17 30.419 -18.586 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.805 -17.153 -10.737 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.183 -16.475 -9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.815 -17.572 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.690 -16.228 -12.585 1.00 0.00 H new ATOM 218 N TRP A 18 27.579 -19.732 -9.065 1.00 0.00 N ATOM 219 CA TRP A 18 26.847 -20.183 -7.887 1.00 0.00 C ATOM 220 C TRP A 18 27.516 -21.403 -7.264 1.00 0.00 C ATOM 221 O TRP A 18 27.785 -21.431 -6.062 1.00 0.00 O ATOM 222 CB TRP A 18 25.400 -20.512 -8.255 1.00 0.00 C ATOM 223 CG TRP A 18 24.646 -21.191 -7.152 1.00 0.00 C ATOM 224 CD1 TRP A 18 24.319 -20.662 -5.936 1.00 0.00 C ATOM 225 CD2 TRP A 18 24.126 -22.525 -7.164 1.00 0.00 C ATOM 226 NE1 TRP A 18 23.628 -21.587 -5.191 1.00 0.00 N ATOM 227 CE2 TRP A 18 23.496 -22.738 -5.922 1.00 0.00 C ATOM 228 CE3 TRP A 18 24.131 -23.560 -8.103 1.00 0.00 C ATOM 229 CZ2 TRP A 18 22.878 -23.943 -5.598 1.00 0.00 C ATOM 230 CZ3 TRP A 18 23.518 -24.755 -7.779 1.00 0.00 C ATOM 231 CH2 TRP A 18 22.898 -24.939 -6.536 1.00 0.00 C ATOM 0 H TRP A 18 27.180 -20.038 -9.952 1.00 0.00 H new ATOM 0 HA TRP A 18 26.854 -19.375 -7.155 1.00 0.00 H new ATOM 0 HB2 TRP A 18 24.883 -19.591 -8.525 1.00 0.00 H new ATOM 0 HB3 TRP A 18 25.394 -21.152 -9.137 1.00 0.00 H new ATOM 0 HD1 TRP A 18 24.567 -19.663 -5.608 1.00 0.00 H new ATOM 0 HE1 TRP A 18 23.271 -21.440 -4.247 1.00 0.00 H new ATOM 0 HE3 TRP A 18 24.605 -23.428 -9.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 22.400 -24.086 -4.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 23.517 -25.562 -8.497 1.00 0.00 H new ATOM 0 HH2 TRP A 18 22.427 -25.885 -6.314 1.00 0.00 H new ATOM 242 N LEU A 19 27.784 -22.410 -8.088 1.00 0.00 N ATOM 243 CA LEU A 19 28.423 -23.634 -7.617 1.00 0.00 C ATOM 244 C LEU A 19 29.839 -23.355 -7.124 1.00 0.00 C ATOM 245 O LEU A 19 30.207 -23.739 -6.015 1.00 0.00 O ATOM 246 CB LEU A 19 28.457 -24.678 -8.735 1.00 0.00 C ATOM 247 CG LEU A 19 27.213 -25.557 -8.870 1.00 0.00 C ATOM 248 CD1 LEU A 19 27.261 -26.355 -10.164 1.00 0.00 C ATOM 249 CD2 LEU A 19 27.086 -26.488 -7.673 1.00 0.00 C ATOM 0 H LEU A 19 27.569 -22.403 -9.085 1.00 0.00 H new ATOM 0 HA LEU A 19 27.838 -24.022 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.618 -24.162 -9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.319 -25.325 -8.574 1.00 0.00 H new ATOM 0 HG LEU A 19 26.336 -24.910 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.368 -26.975 -10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.304 -25.671 -11.012 1.00 0.00 H new ATOM 0 HD13 LEU A 19 28.146 -26.992 -10.166 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.195 -27.106 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 19 27.967 -27.128 -7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.005 -25.898 -6.760 1.00 0.00 H new ATOM 261 N GLU A 20 30.628 -22.681 -7.956 1.00 0.00 N ATOM 262 CA GLU A 20 32.003 -22.349 -7.603 1.00 0.00 C ATOM 263 C GLU A 20 32.064 -21.656 -6.245 1.00 0.00 C ATOM 264 O GLU A 20 33.036 -21.804 -5.504 1.00 0.00 O ATOM 265 CB GLU A 20 32.625 -21.452 -8.675 1.00 0.00 C ATOM 266 CG GLU A 20 32.137 -20.014 -8.623 1.00 0.00 C ATOM 267 CD GLU A 20 32.800 -19.134 -9.665 1.00 0.00 C ATOM 268 OE1 GLU A 20 33.120 -19.647 -10.758 1.00 0.00 O ATOM 269 OE2 GLU A 20 32.999 -17.933 -9.388 1.00 0.00 O ATOM 0 H GLU A 20 30.338 -22.355 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 20 32.570 -23.278 -7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 20 33.709 -21.463 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 20 32.403 -21.867 -9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 20 31.057 -19.995 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 20 32.330 -19.605 -7.631 1.00 0.00 H new ATOM 276 N SER A 21 31.019 -20.899 -5.926 1.00 0.00 N ATOM 277 CA SER A 21 30.955 -20.179 -4.660 1.00 0.00 C ATOM 278 C SER A 21 30.976 -21.148 -3.482 1.00 0.00 C ATOM 279 O SER A 21 31.536 -20.848 -2.427 1.00 0.00 O ATOM 280 CB SER A 21 29.693 -19.316 -4.603 1.00 0.00 C ATOM 281 OG SER A 21 28.688 -19.934 -3.819 1.00 0.00 O ATOM 0 H SER A 21 30.205 -20.769 -6.527 1.00 0.00 H new ATOM 0 HA SER A 21 31.831 -19.534 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 21 29.935 -18.339 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 21 29.318 -19.147 -5.613 1.00 0.00 H new ATOM 0 HG SER A 21 28.143 -20.518 -4.387 1.00 0.00 H new ATOM 287 N ILE A 22 30.361 -22.311 -3.671 1.00 0.00 N ATOM 288 CA ILE A 22 30.309 -23.325 -2.625 1.00 0.00 C ATOM 289 C ILE A 22 31.245 -24.488 -2.940 1.00 0.00 C ATOM 290 O ILE A 22 31.044 -25.607 -2.468 1.00 0.00 O ATOM 291 CB ILE A 22 28.880 -23.868 -2.437 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.399 -24.553 -3.718 1.00 0.00 C ATOM 293 CG2 ILE A 22 27.934 -22.743 -2.044 1.00 0.00 C ATOM 294 CD1 ILE A 22 27.048 -25.218 -3.576 1.00 0.00 C ATOM 0 H ILE A 22 29.892 -22.574 -4.538 1.00 0.00 H new ATOM 0 HA ILE A 22 30.630 -22.842 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 22 28.889 -24.606 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.349 -23.815 -4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 22 29.133 -25.300 -4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.928 -23.142 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.270 -22.295 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.926 -21.985 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.770 -25.683 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.097 -25.980 -2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.301 -24.471 -3.306 1.00 0.00 H new ATOM 306 N LYS A 23 32.270 -24.215 -3.740 1.00 0.00 N ATOM 307 CA LYS A 23 33.241 -25.236 -4.116 1.00 0.00 C ATOM 308 C LYS A 23 32.541 -26.470 -4.678 1.00 0.00 C ATOM 309 O LYS A 23 32.784 -27.590 -4.231 1.00 0.00 O ATOM 310 CB LYS A 23 34.095 -25.627 -2.908 1.00 0.00 C ATOM 311 CG LYS A 23 35.172 -24.611 -2.571 1.00 0.00 C ATOM 312 CD LYS A 23 36.462 -24.894 -3.323 1.00 0.00 C ATOM 313 CE LYS A 23 37.293 -25.958 -2.623 1.00 0.00 C ATOM 314 NZ LYS A 23 37.103 -27.302 -3.234 1.00 0.00 N ATOM 0 H LYS A 23 32.450 -23.294 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 23 33.887 -24.821 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.446 -25.757 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 23 34.565 -26.591 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 23 34.819 -23.610 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.365 -24.626 -1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 23 36.229 -25.221 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 23 37.043 -23.976 -3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 23 38.347 -25.684 -2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 23 37.020 -25.997 -1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 36.682 -27.945 -2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 36.471 -27.223 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 38.023 -27.678 -3.540 1.00 0.00 H new ATOM 328 N MET A 24 31.674 -26.256 -5.662 1.00 0.00 N ATOM 329 CA MET A 24 30.942 -27.352 -6.286 1.00 0.00 C ATOM 330 C MET A 24 30.838 -27.147 -7.794 1.00 0.00 C ATOM 331 O MET A 24 29.908 -27.638 -8.433 1.00 0.00 O ATOM 332 CB MET A 24 29.543 -27.471 -5.679 1.00 0.00 C ATOM 333 CG MET A 24 29.549 -27.866 -4.211 1.00 0.00 C ATOM 334 SD MET A 24 29.171 -29.611 -3.959 1.00 0.00 S ATOM 335 CE MET A 24 30.817 -30.288 -3.758 1.00 0.00 C ATOM 0 H MET A 24 31.461 -25.335 -6.044 1.00 0.00 H new ATOM 0 HA MET A 24 31.491 -28.275 -6.099 1.00 0.00 H new ATOM 0 HB2 MET A 24 29.026 -26.518 -5.788 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.973 -28.209 -6.243 1.00 0.00 H new ATOM 0 HG2 MET A 24 30.527 -27.645 -3.783 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.821 -27.259 -3.673 1.00 0.00 H new ATOM 0 HE1 MET A 24 30.847 -31.299 -4.165 1.00 0.00 H new ATOM 0 HE2 MET A 24 31.535 -29.662 -4.288 1.00 0.00 H new ATOM 0 HE3 MET A 24 31.072 -30.316 -2.699 1.00 0.00 H new ATOM 345 N GLN A 25 31.799 -26.420 -8.355 1.00 0.00 N ATOM 346 CA GLN A 25 31.814 -26.150 -9.788 1.00 0.00 C ATOM 347 C GLN A 25 32.025 -27.435 -10.582 1.00 0.00 C ATOM 348 O GLN A 25 31.619 -27.533 -11.739 1.00 0.00 O ATOM 349 CB GLN A 25 32.912 -25.140 -10.127 1.00 0.00 C ATOM 350 CG GLN A 25 34.299 -25.579 -9.686 1.00 0.00 C ATOM 351 CD GLN A 25 34.860 -24.713 -8.576 1.00 0.00 C ATOM 352 OE1 GLN A 25 34.681 -25.007 -7.393 1.00 0.00 O ATOM 353 NE2 GLN A 25 35.544 -23.639 -8.951 1.00 0.00 N ATOM 0 H GLN A 25 32.577 -26.008 -7.840 1.00 0.00 H new ATOM 0 HA GLN A 25 30.847 -25.730 -10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.919 -24.971 -11.204 1.00 0.00 H new ATOM 0 HB3 GLN A 25 32.675 -24.186 -9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.258 -26.614 -9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 25 34.974 -25.549 -10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 25 35.668 -23.434 -9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 25 35.946 -23.019 -8.248 1.00 0.00 H new ATOM 362 N GLN A 26 32.664 -28.415 -9.952 1.00 0.00 N ATOM 363 CA GLN A 26 32.930 -29.694 -10.601 1.00 0.00 C ATOM 364 C GLN A 26 31.629 -30.421 -10.924 1.00 0.00 C ATOM 365 O GLN A 26 31.577 -31.242 -11.840 1.00 0.00 O ATOM 366 CB GLN A 26 33.810 -30.570 -9.707 1.00 0.00 C ATOM 367 CG GLN A 26 33.094 -31.091 -8.472 1.00 0.00 C ATOM 368 CD GLN A 26 33.967 -31.055 -7.233 1.00 0.00 C ATOM 369 OE1 GLN A 26 34.476 -30.001 -6.849 1.00 0.00 O ATOM 370 NE2 GLN A 26 34.145 -32.208 -6.599 1.00 0.00 N ATOM 0 H GLN A 26 33.007 -28.348 -8.994 1.00 0.00 H new ATOM 0 HA GLN A 26 33.456 -29.497 -11.535 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.176 -31.416 -10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.683 -29.996 -9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.198 -30.495 -8.298 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.766 -32.115 -8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.704 -33.057 -6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.722 -32.244 -5.759 1.00 0.00 H new ATOM 379 N TYR A 27 30.582 -30.116 -10.166 1.00 0.00 N ATOM 380 CA TYR A 27 29.282 -30.743 -10.370 1.00 0.00 C ATOM 381 C TYR A 27 28.481 -30.002 -11.435 1.00 0.00 C ATOM 382 O TYR A 27 27.456 -30.491 -11.912 1.00 0.00 O ATOM 383 CB TYR A 27 28.497 -30.777 -9.057 1.00 0.00 C ATOM 384 CG TYR A 27 28.838 -31.960 -8.178 1.00 0.00 C ATOM 385 CD1 TYR A 27 28.707 -33.261 -8.649 1.00 0.00 C ATOM 386 CD2 TYR A 27 29.292 -31.776 -6.878 1.00 0.00 C ATOM 387 CE1 TYR A 27 29.017 -34.344 -7.849 1.00 0.00 C ATOM 388 CE2 TYR A 27 29.605 -32.853 -6.072 1.00 0.00 C ATOM 389 CZ TYR A 27 29.465 -34.135 -6.562 1.00 0.00 C ATOM 390 OH TYR A 27 29.776 -35.212 -5.763 1.00 0.00 O ATOM 0 H TYR A 27 30.608 -29.438 -9.404 1.00 0.00 H new ATOM 0 HA TYR A 27 29.449 -31.764 -10.712 1.00 0.00 H new ATOM 0 HB2 TYR A 27 28.689 -29.857 -8.505 1.00 0.00 H new ATOM 0 HB3 TYR A 27 27.431 -30.797 -9.281 1.00 0.00 H new ATOM 0 HD1 TYR A 27 28.357 -33.428 -9.657 1.00 0.00 H new ATOM 0 HD2 TYR A 27 29.402 -30.774 -6.491 1.00 0.00 H new ATOM 0 HE1 TYR A 27 28.909 -35.349 -8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.957 -32.692 -5.064 1.00 0.00 H new ATOM 0 HH TYR A 27 30.265 -34.902 -4.972 1.00 0.00 H new ATOM 400 N THR A 28 28.955 -28.816 -11.805 1.00 0.00 N ATOM 401 CA THR A 28 28.284 -28.006 -12.814 1.00 0.00 C ATOM 402 C THR A 28 28.016 -28.813 -14.079 1.00 0.00 C ATOM 403 O THR A 28 26.935 -28.728 -14.661 1.00 0.00 O ATOM 404 CB THR A 28 29.117 -26.762 -13.179 1.00 0.00 C ATOM 405 OG1 THR A 28 29.494 -26.058 -11.990 1.00 0.00 O ATOM 406 CG2 THR A 28 28.331 -25.836 -14.095 1.00 0.00 C ATOM 0 H THR A 28 29.801 -28.395 -11.421 1.00 0.00 H new ATOM 0 HA THR A 28 27.335 -27.686 -12.383 1.00 0.00 H new ATOM 0 HB THR A 28 30.013 -27.093 -13.704 1.00 0.00 H new ATOM 0 HG1 THR A 28 30.463 -26.126 -11.863 1.00 0.00 H new ATOM 0 HG21 THR A 28 28.938 -24.965 -14.340 1.00 0.00 H new ATOM 0 HG22 THR A 28 28.071 -26.366 -15.011 1.00 0.00 H new ATOM 0 HG23 THR A 28 27.420 -25.513 -13.591 1.00 0.00 H new ATOM 414 N GLU A 29 29.005 -29.596 -14.497 1.00 0.00 N ATOM 415 CA GLU A 29 28.874 -30.418 -15.694 1.00 0.00 C ATOM 416 C GLU A 29 27.643 -31.315 -15.605 1.00 0.00 C ATOM 417 O GLU A 29 27.045 -31.671 -16.621 1.00 0.00 O ATOM 418 CB GLU A 29 30.128 -31.272 -15.893 1.00 0.00 C ATOM 419 CG GLU A 29 31.406 -30.459 -16.011 1.00 0.00 C ATOM 420 CD GLU A 29 32.600 -31.155 -15.387 1.00 0.00 C ATOM 421 OE1 GLU A 29 32.456 -31.691 -14.268 1.00 0.00 O ATOM 422 OE2 GLU A 29 33.678 -31.165 -16.017 1.00 0.00 O ATOM 0 H GLU A 29 29.905 -29.678 -14.025 1.00 0.00 H new ATOM 0 HA GLU A 29 28.757 -29.753 -16.550 1.00 0.00 H new ATOM 0 HB2 GLU A 29 30.223 -31.963 -15.056 1.00 0.00 H new ATOM 0 HB3 GLU A 29 30.007 -31.876 -16.792 1.00 0.00 H new ATOM 0 HG2 GLU A 29 31.613 -30.265 -17.063 1.00 0.00 H new ATOM 0 HG3 GLU A 29 31.262 -29.491 -15.530 1.00 0.00 H new ATOM 429 N HIS A 30 27.270 -31.678 -14.382 1.00 0.00 N ATOM 430 CA HIS A 30 26.110 -32.534 -14.159 1.00 0.00 C ATOM 431 C HIS A 30 24.821 -31.719 -14.180 1.00 0.00 C ATOM 432 O HIS A 30 23.843 -32.101 -14.823 1.00 0.00 O ATOM 433 CB HIS A 30 26.241 -33.269 -12.824 1.00 0.00 C ATOM 434 CG HIS A 30 27.342 -34.283 -12.804 1.00 0.00 C ATOM 435 ND1 HIS A 30 28.640 -33.993 -13.167 1.00 0.00 N ATOM 436 CD2 HIS A 30 27.333 -35.592 -12.459 1.00 0.00 C ATOM 437 CE1 HIS A 30 29.382 -35.079 -13.049 1.00 0.00 C ATOM 438 NE2 HIS A 30 28.613 -36.064 -12.620 1.00 0.00 N ATOM 0 H HIS A 30 27.754 -31.393 -13.530 1.00 0.00 H new ATOM 0 HA HIS A 30 26.069 -33.266 -14.966 1.00 0.00 H new ATOM 0 HB2 HIS A 30 26.415 -32.540 -12.033 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.297 -33.765 -12.598 1.00 0.00 H new ATOM 0 HD2 HIS A 30 26.479 -36.159 -12.120 1.00 0.00 H new ATOM 0 HE1 HIS A 30 30.438 -35.150 -13.266 1.00 0.00 H new ATOM 0 HE2 HIS A 30 28.920 -37.020 -12.438 1.00 0.00 H new ATOM 446 N PHE A 31 24.826 -30.594 -13.472 1.00 0.00 N ATOM 447 CA PHE A 31 23.656 -29.726 -13.409 1.00 0.00 C ATOM 448 C PHE A 31 23.149 -29.392 -14.809 1.00 0.00 C ATOM 449 O PHE A 31 21.986 -29.631 -15.133 1.00 0.00 O ATOM 450 CB PHE A 31 23.992 -28.437 -12.655 1.00 0.00 C ATOM 451 CG PHE A 31 23.833 -28.554 -11.167 1.00 0.00 C ATOM 452 CD1 PHE A 31 24.875 -29.015 -10.379 1.00 0.00 C ATOM 453 CD2 PHE A 31 22.640 -28.204 -10.555 1.00 0.00 C ATOM 454 CE1 PHE A 31 24.732 -29.123 -9.009 1.00 0.00 C ATOM 455 CE2 PHE A 31 22.491 -28.310 -9.185 1.00 0.00 C ATOM 456 CZ PHE A 31 23.538 -28.771 -8.411 1.00 0.00 C ATOM 0 H PHE A 31 25.627 -30.262 -12.934 1.00 0.00 H new ATOM 0 HA PHE A 31 22.869 -30.258 -12.875 1.00 0.00 H new ATOM 0 HB2 PHE A 31 25.019 -28.151 -12.881 1.00 0.00 H new ATOM 0 HB3 PHE A 31 23.350 -27.635 -13.019 1.00 0.00 H new ATOM 0 HD1 PHE A 31 25.811 -29.293 -10.841 1.00 0.00 H new ATOM 0 HD2 PHE A 31 21.817 -27.844 -11.155 1.00 0.00 H new ATOM 0 HE1 PHE A 31 25.553 -29.482 -8.406 1.00 0.00 H new ATOM 0 HE2 PHE A 31 21.557 -28.033 -8.720 1.00 0.00 H new ATOM 0 HZ PHE A 31 23.423 -28.856 -7.340 1.00 0.00 H new ATOM 466 N MET A 32 24.031 -28.838 -15.635 1.00 0.00 N ATOM 467 CA MET A 32 23.674 -28.472 -17.000 1.00 0.00 C ATOM 468 C MET A 32 23.034 -29.649 -17.729 1.00 0.00 C ATOM 469 O MET A 32 21.937 -29.532 -18.274 1.00 0.00 O ATOM 470 CB MET A 32 24.911 -27.996 -17.764 1.00 0.00 C ATOM 471 CG MET A 32 25.662 -26.875 -17.065 1.00 0.00 C ATOM 472 SD MET A 32 26.107 -25.534 -18.186 1.00 0.00 S ATOM 473 CE MET A 32 25.618 -24.108 -17.219 1.00 0.00 C ATOM 0 H MET A 32 24.998 -28.633 -15.382 1.00 0.00 H new ATOM 0 HA MET A 32 22.950 -27.659 -16.953 1.00 0.00 H new ATOM 0 HB2 MET A 32 25.586 -28.840 -17.908 1.00 0.00 H new ATOM 0 HB3 MET A 32 24.608 -27.657 -18.755 1.00 0.00 H new ATOM 0 HG2 MET A 32 25.047 -26.479 -16.257 1.00 0.00 H new ATOM 0 HG3 MET A 32 26.566 -27.278 -16.609 1.00 0.00 H new ATOM 0 HE1 MET A 32 25.016 -23.440 -17.835 1.00 0.00 H new ATOM 0 HE2 MET A 32 25.033 -24.435 -16.359 1.00 0.00 H new ATOM 0 HE3 MET A 32 26.507 -23.580 -16.874 1.00 0.00 H new ATOM 483 N ALA A 33 23.726 -30.784 -17.734 1.00 0.00 N ATOM 484 CA ALA A 33 23.224 -31.982 -18.394 1.00 0.00 C ATOM 485 C ALA A 33 21.849 -32.367 -17.861 1.00 0.00 C ATOM 486 O ALA A 33 20.940 -32.681 -18.630 1.00 0.00 O ATOM 487 CB ALA A 33 24.203 -33.133 -18.215 1.00 0.00 C ATOM 0 H ALA A 33 24.636 -30.898 -17.288 1.00 0.00 H new ATOM 0 HA ALA A 33 23.125 -31.766 -19.458 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.815 -34.021 -18.713 1.00 0.00 H new ATOM 0 HB2 ALA A 33 25.165 -32.864 -18.651 1.00 0.00 H new ATOM 0 HB3 ALA A 33 24.331 -33.340 -17.152 1.00 0.00 H new ATOM 493 N ALA A 34 21.703 -32.342 -16.541 1.00 0.00 N ATOM 494 CA ALA A 34 20.437 -32.687 -15.905 1.00 0.00 C ATOM 495 C ALA A 34 19.328 -31.734 -16.337 1.00 0.00 C ATOM 496 O ALA A 34 18.149 -32.083 -16.305 1.00 0.00 O ATOM 497 CB ALA A 34 20.586 -32.674 -14.391 1.00 0.00 C ATOM 0 H ALA A 34 22.446 -32.086 -15.890 1.00 0.00 H new ATOM 0 HA ALA A 34 20.161 -33.692 -16.223 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.633 -32.933 -13.929 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.343 -33.400 -14.094 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.889 -31.679 -14.064 1.00 0.00 H new ATOM 503 N GLY A 35 19.714 -30.527 -16.742 1.00 0.00 N ATOM 504 CA GLY A 35 18.740 -29.542 -17.173 1.00 0.00 C ATOM 505 C GLY A 35 18.652 -28.361 -16.228 1.00 0.00 C ATOM 506 O GLY A 35 17.615 -27.703 -16.141 1.00 0.00 O ATOM 0 H GLY A 35 20.684 -30.215 -16.779 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.003 -29.187 -18.169 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.761 -30.014 -17.251 1.00 0.00 H new ATOM 510 N TYR A 36 19.741 -28.092 -15.517 1.00 0.00 N ATOM 511 CA TYR A 36 19.782 -26.984 -14.570 1.00 0.00 C ATOM 512 C TYR A 36 20.898 -26.006 -14.922 1.00 0.00 C ATOM 513 O TYR A 36 21.828 -25.798 -14.142 1.00 0.00 O ATOM 514 CB TYR A 36 19.979 -27.509 -13.147 1.00 0.00 C ATOM 515 CG TYR A 36 18.886 -28.451 -12.692 1.00 0.00 C ATOM 516 CD1 TYR A 36 17.554 -28.058 -12.703 1.00 0.00 C ATOM 517 CD2 TYR A 36 19.187 -29.734 -12.251 1.00 0.00 C ATOM 518 CE1 TYR A 36 16.553 -28.914 -12.288 1.00 0.00 C ATOM 519 CE2 TYR A 36 18.193 -30.597 -11.835 1.00 0.00 C ATOM 520 CZ TYR A 36 16.877 -30.183 -11.855 1.00 0.00 C ATOM 521 OH TYR A 36 15.883 -31.040 -11.441 1.00 0.00 O ATOM 0 H TYR A 36 20.608 -28.626 -15.578 1.00 0.00 H new ATOM 0 HA TYR A 36 18.830 -26.456 -14.627 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.938 -28.023 -13.088 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.028 -26.664 -12.460 1.00 0.00 H new ATOM 0 HD1 TYR A 36 17.297 -27.065 -13.042 1.00 0.00 H new ATOM 0 HD2 TYR A 36 20.216 -30.062 -12.233 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.522 -28.592 -12.302 1.00 0.00 H new ATOM 0 HE2 TYR A 36 18.444 -31.591 -11.496 1.00 0.00 H new ATOM 0 HH TYR A 36 15.780 -30.976 -10.469 1.00 0.00 H new ATOM 531 N THR A 37 20.800 -25.407 -16.105 1.00 0.00 N ATOM 532 CA THR A 37 21.800 -24.451 -16.563 1.00 0.00 C ATOM 533 C THR A 37 21.470 -23.040 -16.090 1.00 0.00 C ATOM 534 O THR A 37 22.348 -22.183 -16.002 1.00 0.00 O ATOM 535 CB THR A 37 21.915 -24.451 -18.099 1.00 0.00 C ATOM 536 OG1 THR A 37 20.735 -23.885 -18.679 1.00 0.00 O ATOM 537 CG2 THR A 37 22.117 -25.864 -18.626 1.00 0.00 C ATOM 0 H THR A 37 20.038 -25.567 -16.763 1.00 0.00 H new ATOM 0 HA THR A 37 22.753 -24.761 -16.134 1.00 0.00 H new ATOM 0 HB THR A 37 22.780 -23.849 -18.376 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.817 -23.887 -19.656 1.00 0.00 H new ATOM 0 HG21 THR A 37 22.195 -25.839 -19.713 1.00 0.00 H new ATOM 0 HG22 THR A 37 23.032 -26.282 -18.206 1.00 0.00 H new ATOM 0 HG23 THR A 37 21.269 -26.485 -18.338 1.00 0.00 H new ATOM 545 N ALA A 38 20.197 -22.806 -15.785 1.00 0.00 N ATOM 546 CA ALA A 38 19.752 -21.499 -15.318 1.00 0.00 C ATOM 547 C ALA A 38 19.298 -21.561 -13.864 1.00 0.00 C ATOM 548 O ALA A 38 18.693 -22.544 -13.434 1.00 0.00 O ATOM 549 CB ALA A 38 18.628 -20.978 -16.202 1.00 0.00 C ATOM 0 H ALA A 38 19.457 -23.504 -15.853 1.00 0.00 H new ATOM 0 HA ALA A 38 20.596 -20.812 -15.379 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.305 -20.001 -15.842 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.984 -20.887 -17.228 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.788 -21.672 -16.170 1.00 0.00 H new ATOM 555 N ILE A 39 19.593 -20.507 -13.111 1.00 0.00 N ATOM 556 CA ILE A 39 19.215 -20.443 -11.705 1.00 0.00 C ATOM 557 C ILE A 39 17.703 -20.552 -11.537 1.00 0.00 C ATOM 558 O ILE A 39 17.214 -20.967 -10.486 1.00 0.00 O ATOM 559 CB ILE A 39 19.700 -19.136 -11.050 1.00 0.00 C ATOM 560 CG1 ILE A 39 21.219 -19.009 -11.179 1.00 0.00 C ATOM 561 CG2 ILE A 39 19.281 -19.089 -9.588 1.00 0.00 C ATOM 562 CD1 ILE A 39 21.979 -20.130 -10.504 1.00 0.00 C ATOM 0 H ILE A 39 20.093 -19.685 -13.451 1.00 0.00 H new ATOM 0 HA ILE A 39 19.695 -21.287 -11.211 1.00 0.00 H new ATOM 0 HB ILE A 39 19.239 -18.295 -11.567 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.485 -18.985 -12.236 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.534 -18.058 -10.750 1.00 0.00 H new ATOM 0 HG21 ILE A 39 19.631 -18.160 -9.139 1.00 0.00 H new ATOM 0 HG22 ILE A 39 18.194 -19.139 -9.519 1.00 0.00 H new ATOM 0 HG23 ILE A 39 19.717 -19.935 -9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 39 23.050 -19.975 -10.636 1.00 0.00 H new ATOM 0 HD12 ILE A 39 21.742 -20.141 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 39 21.693 -21.083 -10.949 1.00 0.00 H new ATOM 574 N GLU A 40 16.969 -20.179 -12.580 1.00 0.00 N ATOM 575 CA GLU A 40 15.512 -20.236 -12.548 1.00 0.00 C ATOM 576 C GLU A 40 15.029 -21.657 -12.274 1.00 0.00 C ATOM 577 O GLU A 40 14.013 -21.863 -11.610 1.00 0.00 O ATOM 578 CB GLU A 40 14.931 -19.733 -13.871 1.00 0.00 C ATOM 579 CG GLU A 40 15.537 -18.423 -14.344 1.00 0.00 C ATOM 580 CD GLU A 40 14.593 -17.628 -15.225 1.00 0.00 C ATOM 581 OE1 GLU A 40 13.892 -18.246 -16.054 1.00 0.00 O ATOM 582 OE2 GLU A 40 14.556 -16.387 -15.086 1.00 0.00 O ATOM 0 H GLU A 40 17.359 -19.834 -13.457 1.00 0.00 H new ATOM 0 HA GLU A 40 15.166 -19.592 -11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.085 -20.492 -14.638 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.854 -19.606 -13.760 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.813 -17.821 -13.478 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.455 -18.629 -14.895 1.00 0.00 H new ATOM 589 N LYS A 41 15.765 -22.635 -12.792 1.00 0.00 N ATOM 590 CA LYS A 41 15.414 -24.038 -12.604 1.00 0.00 C ATOM 591 C LYS A 41 16.185 -24.640 -11.434 1.00 0.00 C ATOM 592 O LYS A 41 15.726 -25.588 -10.796 1.00 0.00 O ATOM 593 CB LYS A 41 15.701 -24.832 -13.880 1.00 0.00 C ATOM 594 CG LYS A 41 15.032 -24.259 -15.117 1.00 0.00 C ATOM 595 CD LYS A 41 16.054 -23.789 -16.138 1.00 0.00 C ATOM 596 CE LYS A 41 15.477 -22.721 -17.054 1.00 0.00 C ATOM 597 NZ LYS A 41 14.672 -23.312 -18.158 1.00 0.00 N ATOM 0 H LYS A 41 16.608 -22.482 -13.345 1.00 0.00 H new ATOM 0 HA LYS A 41 14.349 -24.093 -12.381 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.778 -24.865 -14.042 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.368 -25.860 -13.741 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.389 -25.015 -15.567 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.392 -23.424 -14.832 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.929 -23.393 -15.623 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.391 -24.637 -16.734 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.853 -22.043 -16.472 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.288 -22.126 -17.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.297 -22.551 -18.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.274 -23.940 -18.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.883 -23.859 -17.758 1.00 0.00 H new ATOM 611 N VAL A 42 17.359 -24.082 -11.155 1.00 0.00 N ATOM 612 CA VAL A 42 18.193 -24.562 -10.060 1.00 0.00 C ATOM 613 C VAL A 42 17.495 -24.380 -8.717 1.00 0.00 C ATOM 614 O VAL A 42 17.819 -25.055 -7.740 1.00 0.00 O ATOM 615 CB VAL A 42 19.548 -23.831 -10.024 1.00 0.00 C ATOM 616 CG1 VAL A 42 20.389 -24.321 -8.855 1.00 0.00 C ATOM 617 CG2 VAL A 42 20.289 -24.019 -11.339 1.00 0.00 C ATOM 0 H VAL A 42 17.754 -23.297 -11.673 1.00 0.00 H new ATOM 0 HA VAL A 42 18.366 -25.624 -10.236 1.00 0.00 H new ATOM 0 HB VAL A 42 19.363 -22.766 -9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.343 -23.793 -8.846 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.860 -24.130 -7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.568 -25.391 -8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.244 -23.496 -11.296 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.464 -25.081 -11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.690 -23.615 -12.155 1.00 0.00 H new ATOM 627 N VAL A 43 16.533 -23.464 -8.676 1.00 0.00 N ATOM 628 CA VAL A 43 15.786 -23.193 -7.453 1.00 0.00 C ATOM 629 C VAL A 43 14.510 -24.026 -7.393 1.00 0.00 C ATOM 630 O VAL A 43 13.976 -24.282 -6.314 1.00 0.00 O ATOM 631 CB VAL A 43 15.419 -21.702 -7.338 1.00 0.00 C ATOM 632 CG1 VAL A 43 16.672 -20.840 -7.360 1.00 0.00 C ATOM 633 CG2 VAL A 43 14.466 -21.301 -8.453 1.00 0.00 C ATOM 0 H VAL A 43 16.252 -22.897 -9.476 1.00 0.00 H new ATOM 0 HA VAL A 43 16.434 -23.465 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 43 14.915 -21.542 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.393 -19.790 -7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.315 -21.111 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.208 -21.001 -8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.217 -20.244 -8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.942 -21.475 -9.418 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.555 -21.896 -8.385 1.00 0.00 H new ATOM 643 N GLN A 44 14.028 -24.445 -8.558 1.00 0.00 N ATOM 644 CA GLN A 44 12.814 -25.249 -8.637 1.00 0.00 C ATOM 645 C GLN A 44 13.075 -26.676 -8.169 1.00 0.00 C ATOM 646 O GLN A 44 12.242 -27.280 -7.493 1.00 0.00 O ATOM 647 CB GLN A 44 12.277 -25.260 -10.070 1.00 0.00 C ATOM 648 CG GLN A 44 11.782 -23.903 -10.544 1.00 0.00 C ATOM 649 CD GLN A 44 10.387 -23.964 -11.134 1.00 0.00 C ATOM 650 OE1 GLN A 44 9.477 -24.548 -10.545 1.00 0.00 O ATOM 651 NE2 GLN A 44 10.211 -23.360 -12.303 1.00 0.00 N ATOM 0 H GLN A 44 14.459 -24.241 -9.460 1.00 0.00 H new ATOM 0 HA GLN A 44 12.068 -24.801 -7.980 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.063 -25.606 -10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.461 -25.979 -10.138 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.788 -23.206 -9.706 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.471 -23.510 -11.291 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.993 -22.888 -12.756 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.293 -23.368 -12.748 1.00 0.00 H new ATOM 660 N MET A 45 14.236 -27.211 -8.533 1.00 0.00 N ATOM 661 CA MET A 45 14.607 -28.568 -8.148 1.00 0.00 C ATOM 662 C MET A 45 14.572 -28.732 -6.632 1.00 0.00 C ATOM 663 O MET A 45 14.820 -27.782 -5.888 1.00 0.00 O ATOM 664 CB MET A 45 16.001 -28.908 -8.678 1.00 0.00 C ATOM 665 CG MET A 45 17.066 -27.899 -8.279 1.00 0.00 C ATOM 666 SD MET A 45 18.636 -28.176 -9.122 1.00 0.00 S ATOM 667 CE MET A 45 19.156 -29.717 -8.370 1.00 0.00 C ATOM 0 H MET A 45 14.936 -26.726 -9.094 1.00 0.00 H new ATOM 0 HA MET A 45 13.882 -29.254 -8.586 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.290 -29.893 -8.311 1.00 0.00 H new ATOM 0 HB3 MET A 45 15.962 -28.972 -9.765 1.00 0.00 H new ATOM 0 HG2 MET A 45 16.710 -26.893 -8.503 1.00 0.00 H new ATOM 0 HG3 MET A 45 17.223 -27.949 -7.202 1.00 0.00 H new ATOM 0 HE1 MET A 45 20.172 -29.611 -7.989 1.00 0.00 H new ATOM 0 HE2 MET A 45 18.484 -29.966 -7.549 1.00 0.00 H new ATOM 0 HE3 MET A 45 19.129 -30.513 -9.115 1.00 0.00 H new ATOM 677 N THR A 46 14.262 -29.943 -6.179 1.00 0.00 N ATOM 678 CA THR A 46 14.193 -30.231 -4.752 1.00 0.00 C ATOM 679 C THR A 46 15.442 -30.966 -4.279 1.00 0.00 C ATOM 680 O THR A 46 16.306 -31.319 -5.080 1.00 0.00 O ATOM 681 CB THR A 46 12.952 -31.076 -4.409 1.00 0.00 C ATOM 682 OG1 THR A 46 12.785 -31.146 -2.988 1.00 0.00 O ATOM 683 CG2 THR A 46 13.079 -32.480 -4.980 1.00 0.00 C ATOM 0 H THR A 46 14.055 -30.740 -6.780 1.00 0.00 H new ATOM 0 HA THR A 46 14.123 -29.272 -4.239 1.00 0.00 H new ATOM 0 HB THR A 46 12.079 -30.598 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.993 -31.683 -2.778 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.191 -33.058 -4.725 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.177 -32.424 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.960 -32.965 -4.561 1.00 0.00 H new ATOM 691 N ASN A 47 15.529 -31.194 -2.973 1.00 0.00 N ATOM 692 CA ASN A 47 16.673 -31.889 -2.393 1.00 0.00 C ATOM 693 C ASN A 47 16.932 -33.208 -3.114 1.00 0.00 C ATOM 694 O ASN A 47 18.080 -33.581 -3.355 1.00 0.00 O ATOM 695 CB ASN A 47 16.438 -32.147 -0.903 1.00 0.00 C ATOM 696 CG ASN A 47 15.959 -30.909 -0.171 1.00 0.00 C ATOM 697 OD1 ASN A 47 16.081 -29.791 -0.672 1.00 0.00 O ATOM 698 ND2 ASN A 47 15.411 -31.103 1.023 1.00 0.00 N ATOM 0 H ASN A 47 14.822 -30.908 -2.296 1.00 0.00 H new ATOM 0 HA ASN A 47 17.550 -31.253 -2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.702 -32.942 -0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.363 -32.500 -0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.071 -30.308 1.563 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.330 -32.047 1.400 1.00 0.00 H new ATOM 705 N ASP A 48 15.856 -33.909 -3.457 1.00 0.00 N ATOM 706 CA ASP A 48 15.966 -35.186 -4.153 1.00 0.00 C ATOM 707 C ASP A 48 16.728 -35.027 -5.465 1.00 0.00 C ATOM 708 O ASP A 48 17.626 -35.810 -5.771 1.00 0.00 O ATOM 709 CB ASP A 48 14.576 -35.765 -4.423 1.00 0.00 C ATOM 710 CG ASP A 48 14.630 -37.205 -4.894 1.00 0.00 C ATOM 711 OD1 ASP A 48 15.028 -37.435 -6.055 1.00 0.00 O ATOM 712 OD2 ASP A 48 14.276 -38.102 -4.100 1.00 0.00 O ATOM 0 H ASP A 48 14.899 -33.615 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 48 16.520 -35.873 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.978 -35.705 -3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.073 -35.158 -5.176 1.00 0.00 H new ATOM 717 N ASP A 49 16.362 -34.008 -6.235 1.00 0.00 N ATOM 718 CA ASP A 49 17.010 -33.746 -7.515 1.00 0.00 C ATOM 719 C ASP A 49 18.522 -33.635 -7.345 1.00 0.00 C ATOM 720 O ASP A 49 19.288 -34.111 -8.183 1.00 0.00 O ATOM 721 CB ASP A 49 16.459 -32.462 -8.137 1.00 0.00 C ATOM 722 CG ASP A 49 14.999 -32.587 -8.526 1.00 0.00 C ATOM 723 OD1 ASP A 49 14.463 -33.714 -8.466 1.00 0.00 O ATOM 724 OD2 ASP A 49 14.392 -31.559 -8.889 1.00 0.00 O ATOM 0 H ASP A 49 15.620 -33.350 -5.995 1.00 0.00 H new ATOM 0 HA ASP A 49 16.797 -34.583 -8.180 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.574 -31.641 -7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.047 -32.208 -9.019 1.00 0.00 H new ATOM 729 N VAL A 50 18.945 -33.002 -6.255 1.00 0.00 N ATOM 730 CA VAL A 50 20.366 -32.829 -5.975 1.00 0.00 C ATOM 731 C VAL A 50 21.074 -34.175 -5.874 1.00 0.00 C ATOM 732 O VAL A 50 22.290 -34.264 -6.047 1.00 0.00 O ATOM 733 CB VAL A 50 20.588 -32.044 -4.668 1.00 0.00 C ATOM 734 CG1 VAL A 50 22.074 -31.908 -4.374 1.00 0.00 C ATOM 735 CG2 VAL A 50 19.924 -30.678 -4.748 1.00 0.00 C ATOM 0 H VAL A 50 18.324 -32.601 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 50 20.787 -32.263 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 50 20.129 -32.597 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.212 -31.351 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.517 -32.899 -4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.560 -31.377 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.091 -30.137 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.351 -30.114 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.853 -30.803 -4.908 1.00 0.00 H new ATOM 745 N LYS A 51 20.306 -35.222 -5.592 1.00 0.00 N ATOM 746 CA LYS A 51 20.859 -36.565 -5.469 1.00 0.00 C ATOM 747 C LYS A 51 20.805 -37.300 -6.804 1.00 0.00 C ATOM 748 O LYS A 51 21.507 -38.291 -7.007 1.00 0.00 O ATOM 749 CB LYS A 51 20.094 -37.358 -4.407 1.00 0.00 C ATOM 750 CG LYS A 51 20.098 -36.702 -3.037 1.00 0.00 C ATOM 751 CD LYS A 51 19.515 -37.620 -1.976 1.00 0.00 C ATOM 752 CE LYS A 51 20.381 -38.854 -1.771 1.00 0.00 C ATOM 753 NZ LYS A 51 19.606 -40.112 -1.959 1.00 0.00 N ATOM 0 H LYS A 51 19.298 -35.166 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 51 21.902 -36.475 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.063 -37.488 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.530 -38.354 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.119 -36.432 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.523 -35.777 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.423 -37.078 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.510 -37.924 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.215 -38.833 -2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.807 -38.836 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.231 -40.930 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.825 -40.144 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.220 -40.141 -2.924 1.00 0.00 H new ATOM 767 N ARG A 52 19.969 -36.808 -7.712 1.00 0.00 N ATOM 768 CA ARG A 52 19.824 -37.418 -9.028 1.00 0.00 C ATOM 769 C ARG A 52 20.819 -36.818 -10.018 1.00 0.00 C ATOM 770 O ARG A 52 21.318 -37.509 -10.907 1.00 0.00 O ATOM 771 CB ARG A 52 18.397 -37.231 -9.546 1.00 0.00 C ATOM 772 CG ARG A 52 18.158 -37.855 -10.911 1.00 0.00 C ATOM 773 CD ARG A 52 16.685 -38.163 -11.133 1.00 0.00 C ATOM 774 NE ARG A 52 16.467 -38.959 -12.338 1.00 0.00 N ATOM 775 CZ ARG A 52 16.604 -38.480 -13.570 1.00 0.00 C ATOM 776 NH1 ARG A 52 16.957 -37.215 -13.757 1.00 0.00 N ATOM 777 NH2 ARG A 52 16.388 -39.266 -14.616 1.00 0.00 N ATOM 0 H ARG A 52 19.381 -35.988 -7.560 1.00 0.00 H new ATOM 0 HA ARG A 52 20.031 -38.484 -8.932 1.00 0.00 H new ATOM 0 HB2 ARG A 52 17.700 -37.666 -8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.176 -36.165 -9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.510 -37.177 -11.689 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.740 -38.772 -11.000 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.293 -38.699 -10.269 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.127 -37.230 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 52 16.195 -39.936 -12.228 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.124 -36.608 -12.954 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.062 -36.849 -14.703 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.116 -40.239 -14.475 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.493 -38.897 -15.561 1.00 0.00 H new ATOM 791 N ILE A 53 21.101 -35.530 -9.858 1.00 0.00 N ATOM 792 CA ILE A 53 22.035 -34.838 -10.737 1.00 0.00 C ATOM 793 C ILE A 53 23.373 -35.567 -10.800 1.00 0.00 C ATOM 794 O ILE A 53 24.060 -35.538 -11.820 1.00 0.00 O ATOM 795 CB ILE A 53 22.275 -33.388 -10.275 1.00 0.00 C ATOM 796 CG1 ILE A 53 22.607 -33.354 -8.782 1.00 0.00 C ATOM 797 CG2 ILE A 53 21.055 -32.529 -10.571 1.00 0.00 C ATOM 798 CD1 ILE A 53 23.099 -32.007 -8.302 1.00 0.00 C ATOM 0 H ILE A 53 20.696 -34.944 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 53 21.583 -34.825 -11.729 1.00 0.00 H new ATOM 0 HB ILE A 53 23.123 -32.982 -10.826 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.718 -33.630 -8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.367 -34.106 -8.570 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.240 -31.507 -10.239 1.00 0.00 H new ATOM 0 HG22 ILE A 53 20.859 -32.532 -11.643 1.00 0.00 H new ATOM 0 HG23 ILE A 53 20.190 -32.931 -10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.315 -32.058 -7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.006 -31.737 -8.843 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.332 -31.254 -8.482 1.00 0.00 H new ATOM 810 N GLY A 54 23.736 -36.223 -9.702 1.00 0.00 N ATOM 811 CA GLY A 54 24.989 -36.953 -9.654 1.00 0.00 C ATOM 812 C GLY A 54 25.571 -37.015 -8.256 1.00 0.00 C ATOM 813 O GLY A 54 26.220 -37.994 -7.888 1.00 0.00 O ATOM 0 H GLY A 54 23.184 -36.262 -8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 54 24.830 -37.966 -10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 54 25.708 -36.479 -10.323 1.00 0.00 H new ATOM 817 N VAL A 55 25.340 -35.965 -7.473 1.00 0.00 N ATOM 818 CA VAL A 55 25.847 -35.904 -6.108 1.00 0.00 C ATOM 819 C VAL A 55 25.292 -37.046 -5.264 1.00 0.00 C ATOM 820 O VAL A 55 24.080 -37.167 -5.085 1.00 0.00 O ATOM 821 CB VAL A 55 25.490 -34.564 -5.436 1.00 0.00 C ATOM 822 CG1 VAL A 55 26.213 -34.424 -4.106 1.00 0.00 C ATOM 823 CG2 VAL A 55 25.824 -33.401 -6.359 1.00 0.00 C ATOM 0 H VAL A 55 24.805 -35.146 -7.761 1.00 0.00 H new ATOM 0 HA VAL A 55 26.932 -35.994 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 55 24.418 -34.549 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 55 25.948 -33.472 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 55 25.920 -35.240 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 55 27.290 -34.460 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 55 25.566 -32.462 -5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 55 26.890 -33.411 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 55 25.256 -33.496 -7.284 1.00 0.00 H new ATOM 833 N ARG A 56 26.187 -37.881 -4.747 1.00 0.00 N ATOM 834 CA ARG A 56 25.787 -39.015 -3.922 1.00 0.00 C ATOM 835 C ARG A 56 26.371 -38.898 -2.517 1.00 0.00 C ATOM 836 O ARG A 56 25.959 -39.611 -1.600 1.00 0.00 O ATOM 837 CB ARG A 56 26.238 -40.327 -4.566 1.00 0.00 C ATOM 838 CG ARG A 56 27.728 -40.593 -4.426 1.00 0.00 C ATOM 839 CD ARG A 56 27.998 -41.789 -3.526 1.00 0.00 C ATOM 840 NE ARG A 56 29.314 -41.715 -2.897 1.00 0.00 N ATOM 841 CZ ARG A 56 29.782 -42.635 -2.061 1.00 0.00 C ATOM 842 NH1 ARG A 56 29.045 -43.695 -1.757 1.00 0.00 N ATOM 843 NH2 ARG A 56 30.989 -42.497 -1.529 1.00 0.00 N ATOM 0 H ARG A 56 27.194 -37.794 -4.885 1.00 0.00 H new ATOM 0 HA ARG A 56 24.700 -39.011 -3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 56 25.686 -41.152 -4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 56 25.978 -40.311 -5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 56 28.161 -40.772 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 56 28.220 -39.710 -4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 56 27.230 -41.843 -2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 56 27.927 -42.706 -4.111 1.00 0.00 H new ATOM 0 HE ARG A 56 29.906 -40.913 -3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 56 28.117 -43.805 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 56 29.406 -44.400 -1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 56 31.559 -41.684 -1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 56 31.347 -43.204 -0.887 1.00 0.00 H new ATOM 857 N LEU A 57 27.332 -37.996 -2.355 1.00 0.00 N ATOM 858 CA LEU A 57 27.975 -37.786 -1.062 1.00 0.00 C ATOM 859 C LEU A 57 27.086 -36.956 -0.141 1.00 0.00 C ATOM 860 O LEU A 57 26.233 -36.188 -0.588 1.00 0.00 O ATOM 861 CB LEU A 57 29.325 -37.092 -1.248 1.00 0.00 C ATOM 862 CG LEU A 57 30.485 -37.986 -1.687 1.00 0.00 C ATOM 863 CD1 LEU A 57 31.713 -37.149 -2.008 1.00 0.00 C ATOM 864 CD2 LEU A 57 30.804 -39.012 -0.609 1.00 0.00 C ATOM 0 H LEU A 57 27.684 -37.398 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 57 28.135 -38.761 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 57 29.204 -36.299 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.597 -36.613 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 57 30.187 -38.517 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 57 32.528 -37.803 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 57 31.479 -36.453 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 57 32.014 -36.590 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 57 31.632 -39.640 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 57 31.082 -38.498 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.927 -39.634 -0.427 1.00 0.00 H new ATOM 876 N PRO A 58 27.290 -37.110 1.175 1.00 0.00 N ATOM 877 CA PRO A 58 26.519 -36.381 2.187 1.00 0.00 C ATOM 878 C PRO A 58 26.853 -34.894 2.210 1.00 0.00 C ATOM 879 O PRO A 58 25.961 -34.047 2.194 1.00 0.00 O ATOM 880 CB PRO A 58 26.940 -37.044 3.500 1.00 0.00 C ATOM 881 CG PRO A 58 28.295 -37.601 3.226 1.00 0.00 C ATOM 882 CD PRO A 58 28.290 -38.008 1.778 1.00 0.00 C ATOM 0 HA PRO A 58 25.447 -36.428 1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 58 26.966 -36.323 4.317 1.00 0.00 H new ATOM 0 HB3 PRO A 58 26.241 -37.828 3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 58 29.069 -36.858 3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 58 28.504 -38.455 3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 58 29.272 -37.881 1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 58 28.015 -39.056 1.656 1.00 0.00 H new ATOM 890 N GLY A 59 28.145 -34.582 2.247 1.00 0.00 N ATOM 891 CA GLY A 59 28.574 -33.196 2.271 1.00 0.00 C ATOM 892 C GLY A 59 28.271 -32.473 0.974 1.00 0.00 C ATOM 893 O GLY A 59 27.633 -31.420 0.976 1.00 0.00 O ATOM 0 H GLY A 59 28.902 -35.265 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 59 28.080 -32.680 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 59 29.646 -33.154 2.465 1.00 0.00 H new ATOM 897 N HIS A 60 28.731 -33.038 -0.138 1.00 0.00 N ATOM 898 CA HIS A 60 28.506 -32.439 -1.449 1.00 0.00 C ATOM 899 C HIS A 60 27.027 -32.130 -1.659 1.00 0.00 C ATOM 900 O HIS A 60 26.675 -31.190 -2.372 1.00 0.00 O ATOM 901 CB HIS A 60 29.005 -33.373 -2.552 1.00 0.00 C ATOM 902 CG HIS A 60 30.489 -33.578 -2.537 1.00 0.00 C ATOM 903 ND1 HIS A 60 31.164 -34.261 -3.528 1.00 0.00 N ATOM 904 CD2 HIS A 60 31.428 -33.185 -1.646 1.00 0.00 C ATOM 905 CE1 HIS A 60 32.454 -34.280 -3.244 1.00 0.00 C ATOM 906 NE2 HIS A 60 32.641 -33.634 -2.108 1.00 0.00 N ATOM 0 H HIS A 60 29.261 -33.909 -0.157 1.00 0.00 H new ATOM 0 HA HIS A 60 29.064 -31.504 -1.494 1.00 0.00 H new ATOM 0 HB2 HIS A 60 28.512 -34.340 -2.449 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.712 -32.967 -3.520 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.256 -32.623 -0.740 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.225 -34.745 -3.840 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.540 -33.491 -1.648 1.00 0.00 H new ATOM 914 N GLN A 61 26.166 -32.926 -1.034 1.00 0.00 N ATOM 915 CA GLN A 61 24.725 -32.737 -1.154 1.00 0.00 C ATOM 916 C GLN A 61 24.267 -31.523 -0.354 1.00 0.00 C ATOM 917 O GLN A 61 23.670 -30.595 -0.900 1.00 0.00 O ATOM 918 CB GLN A 61 23.984 -33.987 -0.676 1.00 0.00 C ATOM 919 CG GLN A 61 23.801 -35.038 -1.759 1.00 0.00 C ATOM 920 CD GLN A 61 23.098 -36.282 -1.253 1.00 0.00 C ATOM 921 OE1 GLN A 61 22.388 -36.242 -0.248 1.00 0.00 O ATOM 922 NE2 GLN A 61 23.290 -37.396 -1.949 1.00 0.00 N ATOM 0 H GLN A 61 26.441 -33.708 -0.439 1.00 0.00 H new ATOM 0 HA GLN A 61 24.493 -32.565 -2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 61 24.532 -34.427 0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 61 23.005 -33.695 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.227 -34.610 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 61 24.776 -35.314 -2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.887 -37.384 -2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 61 22.841 -38.264 -1.657 1.00 0.00 H new ATOM 931 N LYS A 62 24.549 -31.535 0.945 1.00 0.00 N ATOM 932 CA LYS A 62 24.166 -30.435 1.822 1.00 0.00 C ATOM 933 C LYS A 62 24.775 -29.121 1.342 1.00 0.00 C ATOM 934 O LYS A 62 24.134 -28.071 1.401 1.00 0.00 O ATOM 935 CB LYS A 62 24.612 -30.721 3.258 1.00 0.00 C ATOM 936 CG LYS A 62 24.090 -32.039 3.805 1.00 0.00 C ATOM 937 CD LYS A 62 23.449 -31.860 5.171 1.00 0.00 C ATOM 938 CE LYS A 62 21.943 -31.678 5.060 1.00 0.00 C ATOM 939 NZ LYS A 62 21.215 -32.413 6.132 1.00 0.00 N ATOM 0 H LYS A 62 25.042 -32.295 1.414 1.00 0.00 H new ATOM 0 HA LYS A 62 23.080 -30.344 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.701 -30.727 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 62 24.274 -29.910 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.361 -32.459 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 62 24.909 -32.754 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.667 -32.728 5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 62 23.886 -30.994 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.700 -30.617 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.606 -32.030 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.192 -32.264 6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 21.426 -33.429 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.518 -32.060 7.062 1.00 0.00 H new ATOM 953 N ARG A 63 26.014 -29.186 0.868 1.00 0.00 N ATOM 954 CA ARG A 63 26.708 -28.001 0.378 1.00 0.00 C ATOM 955 C ARG A 63 25.871 -27.275 -0.671 1.00 0.00 C ATOM 956 O ARG A 63 25.825 -26.045 -0.699 1.00 0.00 O ATOM 957 CB ARG A 63 28.065 -28.387 -0.214 1.00 0.00 C ATOM 958 CG ARG A 63 29.096 -27.272 -0.152 1.00 0.00 C ATOM 959 CD ARG A 63 30.462 -27.799 0.261 1.00 0.00 C ATOM 960 NE ARG A 63 30.852 -27.328 1.587 1.00 0.00 N ATOM 961 CZ ARG A 63 31.319 -26.107 1.826 1.00 0.00 C ATOM 962 NH1 ARG A 63 31.452 -25.239 0.832 1.00 0.00 N ATOM 963 NH2 ARG A 63 31.653 -25.753 3.060 1.00 0.00 N ATOM 0 H ARG A 63 26.559 -30.047 0.813 1.00 0.00 H new ATOM 0 HA ARG A 63 26.865 -27.328 1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 63 28.450 -29.256 0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 63 27.927 -28.685 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 63 29.170 -26.789 -1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 63 28.769 -26.511 0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 63 30.448 -28.889 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.208 -27.485 -0.469 1.00 0.00 H new ATOM 0 HE ARG A 63 30.761 -27.972 2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 63 31.196 -25.508 -0.118 1.00 0.00 H new ATOM 0 HH12 ARG A 63 31.811 -24.302 1.017 1.00 0.00 H new ATOM 0 HH21 ARG A 63 31.552 -26.418 3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 63 32.011 -24.816 3.242 1.00 0.00 H new ATOM 977 N ILE A 64 25.212 -28.044 -1.530 1.00 0.00 N ATOM 978 CA ILE A 64 24.377 -27.474 -2.580 1.00 0.00 C ATOM 979 C ILE A 64 22.975 -27.169 -2.062 1.00 0.00 C ATOM 980 O ILE A 64 22.425 -26.100 -2.322 1.00 0.00 O ATOM 981 CB ILE A 64 24.270 -28.420 -3.791 1.00 0.00 C ATOM 982 CG1 ILE A 64 25.660 -28.717 -4.358 1.00 0.00 C ATOM 983 CG2 ILE A 64 23.374 -27.813 -4.860 1.00 0.00 C ATOM 984 CD1 ILE A 64 25.640 -29.653 -5.546 1.00 0.00 C ATOM 0 H ILE A 64 25.240 -29.064 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 64 24.856 -26.547 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 64 23.824 -29.359 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 64 26.132 -27.779 -4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 64 26.278 -29.152 -3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 64 23.308 -28.493 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 64 22.378 -27.648 -4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 64 23.793 -26.862 -5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 64 26.659 -29.819 -5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 64 25.198 -30.605 -5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 64 25.049 -29.211 -6.348 1.00 0.00 H new ATOM 996 N ALA A 65 22.403 -28.117 -1.327 1.00 0.00 N ATOM 997 CA ALA A 65 21.067 -27.948 -0.768 1.00 0.00 C ATOM 998 C ALA A 65 20.971 -26.664 0.048 1.00 0.00 C ATOM 999 O ALA A 65 20.047 -25.870 -0.132 1.00 0.00 O ATOM 1000 CB ALA A 65 20.698 -29.150 0.089 1.00 0.00 C ATOM 0 H ALA A 65 22.844 -29.010 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 65 20.361 -27.875 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.698 -29.011 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.716 -30.052 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.415 -29.249 0.904 1.00 0.00 H new ATOM 1006 N TYR A 66 21.930 -26.466 0.945 1.00 0.00 N ATOM 1007 CA TYR A 66 21.952 -25.279 1.792 1.00 0.00 C ATOM 1008 C TYR A 66 21.980 -24.008 0.947 1.00 0.00 C ATOM 1009 O TYR A 66 21.391 -22.992 1.315 1.00 0.00 O ATOM 1010 CB TYR A 66 23.165 -25.313 2.723 1.00 0.00 C ATOM 1011 CG TYR A 66 23.051 -24.370 3.900 1.00 0.00 C ATOM 1012 CD1 TYR A 66 21.883 -24.299 4.648 1.00 0.00 C ATOM 1013 CD2 TYR A 66 24.113 -23.551 4.263 1.00 0.00 C ATOM 1014 CE1 TYR A 66 21.775 -23.439 5.724 1.00 0.00 C ATOM 1015 CE2 TYR A 66 24.014 -22.688 5.338 1.00 0.00 C ATOM 1016 CZ TYR A 66 22.843 -22.636 6.065 1.00 0.00 C ATOM 1017 OH TYR A 66 22.739 -21.778 7.136 1.00 0.00 O ATOM 0 H TYR A 66 22.703 -27.112 1.105 1.00 0.00 H new ATOM 0 HA TYR A 66 21.042 -25.275 2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 66 23.300 -26.329 3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 66 24.058 -25.061 2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 66 21.045 -24.927 4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 66 25.031 -23.589 3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 66 20.859 -23.396 6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 66 24.849 -22.058 5.607 1.00 0.00 H new ATOM 0 HH TYR A 66 23.579 -21.285 7.243 1.00 0.00 H new ATOM 1027 N SER A 67 22.668 -24.075 -0.188 1.00 0.00 N ATOM 1028 CA SER A 67 22.777 -22.930 -1.084 1.00 0.00 C ATOM 1029 C SER A 67 21.437 -22.633 -1.751 1.00 0.00 C ATOM 1030 O SER A 67 21.066 -21.473 -1.936 1.00 0.00 O ATOM 1031 CB SER A 67 23.844 -23.189 -2.150 1.00 0.00 C ATOM 1032 OG SER A 67 24.819 -22.161 -2.156 1.00 0.00 O ATOM 0 H SER A 67 23.158 -24.910 -0.509 1.00 0.00 H new ATOM 0 HA SER A 67 23.069 -22.063 -0.492 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.325 -24.149 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.374 -23.254 -3.131 1.00 0.00 H new ATOM 0 HG SER A 67 24.808 -21.704 -3.023 1.00 0.00 H new ATOM 1038 N LEU A 68 20.716 -23.689 -2.110 1.00 0.00 N ATOM 1039 CA LEU A 68 19.416 -23.544 -2.756 1.00 0.00 C ATOM 1040 C LEU A 68 18.473 -22.704 -1.900 1.00 0.00 C ATOM 1041 O LEU A 68 17.668 -21.930 -2.421 1.00 0.00 O ATOM 1042 CB LEU A 68 18.798 -24.918 -3.019 1.00 0.00 C ATOM 1043 CG LEU A 68 19.513 -25.789 -4.052 1.00 0.00 C ATOM 1044 CD1 LEU A 68 18.835 -27.146 -4.168 1.00 0.00 C ATOM 1045 CD2 LEU A 68 19.548 -25.092 -5.405 1.00 0.00 C ATOM 0 H LEU A 68 21.009 -24.655 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 68 19.566 -23.033 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.761 -25.464 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 68 17.768 -24.774 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 68 20.539 -25.945 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.358 -27.752 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 68 18.862 -27.650 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.799 -27.010 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 68 20.061 -25.726 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.529 -24.905 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 68 20.079 -24.145 -5.313 1.00 0.00 H new ATOM 1057 N LEU A 69 18.579 -22.861 -0.586 1.00 0.00 N ATOM 1058 CA LEU A 69 17.737 -22.116 0.344 1.00 0.00 C ATOM 1059 C LEU A 69 17.890 -20.613 0.132 1.00 0.00 C ATOM 1060 O LEU A 69 16.909 -19.870 0.148 1.00 0.00 O ATOM 1061 CB LEU A 69 18.091 -22.478 1.787 1.00 0.00 C ATOM 1062 CG LEU A 69 18.271 -23.968 2.080 1.00 0.00 C ATOM 1063 CD1 LEU A 69 18.499 -24.195 3.567 1.00 0.00 C ATOM 1064 CD2 LEU A 69 17.061 -24.755 1.598 1.00 0.00 C ATOM 0 H LEU A 69 19.240 -23.497 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 69 16.699 -22.388 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.013 -21.962 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.308 -22.092 2.440 1.00 0.00 H new ATOM 0 HG LEU A 69 19.149 -24.322 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.625 -25.261 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.395 -23.661 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.640 -23.826 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.206 -25.813 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.167 -24.399 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.942 -24.617 0.523 1.00 0.00 H new ATOM 1076 N GLY A 70 19.128 -20.171 -0.067 1.00 0.00 N ATOM 1077 CA GLY A 70 19.387 -18.760 -0.281 1.00 0.00 C ATOM 1078 C GLY A 70 18.852 -18.267 -1.611 1.00 0.00 C ATOM 1079 O GLY A 70 18.441 -17.112 -1.734 1.00 0.00 O ATOM 0 H GLY A 70 19.956 -20.766 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.933 -18.184 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.461 -18.580 -0.236 1.00 0.00 H new ATOM 1083 N LEU A 71 18.857 -19.143 -2.610 1.00 0.00 N ATOM 1084 CA LEU A 71 18.370 -18.790 -3.939 1.00 0.00 C ATOM 1085 C LEU A 71 16.868 -18.525 -3.916 1.00 0.00 C ATOM 1086 O LEU A 71 16.405 -17.475 -4.362 1.00 0.00 O ATOM 1087 CB LEU A 71 18.686 -19.909 -4.933 1.00 0.00 C ATOM 1088 CG LEU A 71 20.143 -20.373 -4.980 1.00 0.00 C ATOM 1089 CD1 LEU A 71 20.269 -21.654 -5.790 1.00 0.00 C ATOM 1090 CD2 LEU A 71 21.031 -19.283 -5.561 1.00 0.00 C ATOM 0 H LEU A 71 19.193 -20.102 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 71 18.877 -17.878 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.059 -20.768 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.400 -19.574 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 71 20.472 -20.578 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 71 21.312 -21.969 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.664 -22.436 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.922 -21.477 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.064 -19.630 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.702 -19.047 -6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.964 -18.390 -4.940 1.00 0.00 H new ATOM 1102 N LYS A 72 16.111 -19.483 -3.391 1.00 0.00 N ATOM 1103 CA LYS A 72 14.662 -19.353 -3.305 1.00 0.00 C ATOM 1104 C LYS A 72 14.272 -18.201 -2.384 1.00 0.00 C ATOM 1105 O LYS A 72 13.219 -17.586 -2.555 1.00 0.00 O ATOM 1106 CB LYS A 72 14.041 -20.657 -2.798 1.00 0.00 C ATOM 1107 CG LYS A 72 14.405 -21.870 -3.638 1.00 0.00 C ATOM 1108 CD LYS A 72 14.092 -23.166 -2.909 1.00 0.00 C ATOM 1109 CE LYS A 72 15.245 -24.154 -3.010 1.00 0.00 C ATOM 1110 NZ LYS A 72 14.782 -25.505 -3.432 1.00 0.00 N ATOM 0 H LYS A 72 16.478 -20.359 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 72 14.282 -19.141 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.362 -20.827 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.956 -20.550 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.857 -21.839 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.466 -21.838 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.884 -22.954 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.191 -23.613 -3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.980 -23.783 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.746 -24.227 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.574 -26.177 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.014 -25.820 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.434 -25.463 -4.411 1.00 0.00 H new