USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 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 -149:sc= -1.55! (180deg=-0.0727) USER MOD Set 1.2: A 27 TYR OH : rot -169:sc= 1.25 USER MOD Set 1.3: A 60 HIS : no HD1:sc= -0.304 K(o=-0.61,f=-9.8!) USER MOD Set 2.1: A 14 THR OG1 : rot 120:sc= 0.18 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0.355 USER MOD Single : A 21 SER OG : rot -84:sc= 0.618 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0441 K(o=-0.044,f=-1.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.69 USER MOD Single : A 30 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.65) USER MOD Single : A 32 MET CE :methyl -124:sc= -0.744 (180deg=-3.15!) USER MOD Single : A 36 TYR OH : rot -74:sc= 0.357 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -139:sc= -2.42! (180deg=-5.68!) USER MOD Single : A 44 GLN : amide:sc=-0.000657 X(o=-0.00066,f=-0.084) USER MOD Single : A 45 MET CE :methyl 165:sc= -0.52 (180deg=-1.56) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 47 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.23) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.26 X(o=-2.3,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 180:sc= 0.0547 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N ARG A 13 24.281 -14.873 -11.445 1.00 0.00 N ATOM 139 CA ARG A 13 23.625 -14.856 -12.747 1.00 0.00 C ATOM 140 C ARG A 13 23.771 -16.205 -13.447 1.00 0.00 C ATOM 141 O ARG A 13 22.945 -16.577 -14.280 1.00 0.00 O ATOM 142 CB ARG A 13 24.213 -13.749 -13.624 1.00 0.00 C ATOM 143 CG ARG A 13 25.722 -13.837 -13.787 1.00 0.00 C ATOM 144 CD ARG A 13 26.146 -13.536 -15.216 1.00 0.00 C ATOM 145 NE ARG A 13 27.587 -13.684 -15.402 1.00 0.00 N ATOM 146 CZ ARG A 13 28.477 -12.790 -14.987 1.00 0.00 C ATOM 147 NH1 ARG A 13 28.077 -11.689 -14.367 1.00 0.00 N ATOM 148 NH2 ARG A 13 29.772 -12.996 -15.193 1.00 0.00 N ATOM 0 HA ARG A 13 22.564 -14.660 -12.589 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.747 -13.791 -14.608 1.00 0.00 H new ATOM 0 HB3 ARG A 13 23.959 -12.781 -13.192 1.00 0.00 H new ATOM 0 HG2 ARG A 13 26.204 -13.134 -13.107 1.00 0.00 H new ATOM 0 HG3 ARG A 13 26.062 -14.834 -13.508 1.00 0.00 H new ATOM 0 HD2 ARG A 13 25.622 -14.205 -15.898 1.00 0.00 H new ATOM 0 HD3 ARG A 13 25.849 -12.520 -15.476 1.00 0.00 H new ATOM 0 HE ARG A 13 27.929 -14.520 -15.877 1.00 0.00 H new ATOM 0 HH11 ARG A 13 27.083 -11.526 -14.207 1.00 0.00 H new ATOM 0 HH12 ARG A 13 28.763 -11.004 -14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 13 30.084 -13.842 -15.670 1.00 0.00 H new ATOM 0 HH22 ARG A 13 30.455 -12.309 -14.874 1.00 0.00 H new ATOM 162 N THR A 14 24.829 -16.933 -13.102 1.00 0.00 N ATOM 163 CA THR A 14 25.084 -18.239 -13.697 1.00 0.00 C ATOM 164 C THR A 14 25.220 -19.314 -12.625 1.00 0.00 C ATOM 165 O THR A 14 25.507 -19.017 -11.466 1.00 0.00 O ATOM 166 CB THR A 14 26.361 -18.224 -14.558 1.00 0.00 C ATOM 167 OG1 THR A 14 27.514 -18.068 -13.722 1.00 0.00 O ATOM 168 CG2 THR A 14 26.312 -17.097 -15.578 1.00 0.00 C ATOM 0 H THR A 14 25.523 -16.640 -12.414 1.00 0.00 H new ATOM 0 HA THR A 14 24.229 -18.470 -14.332 1.00 0.00 H new ATOM 0 HB THR A 14 26.425 -19.173 -15.091 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.108 -18.839 -13.836 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.224 -17.106 -16.174 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.450 -17.234 -16.231 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.226 -16.141 -15.061 1.00 0.00 H new ATOM 176 N VAL A 15 25.013 -20.567 -13.020 1.00 0.00 N ATOM 177 CA VAL A 15 25.114 -21.687 -12.093 1.00 0.00 C ATOM 178 C VAL A 15 26.556 -21.901 -11.645 1.00 0.00 C ATOM 179 O VAL A 15 26.808 -22.443 -10.569 1.00 0.00 O ATOM 180 CB VAL A 15 24.587 -22.989 -12.727 1.00 0.00 C ATOM 181 CG1 VAL A 15 24.691 -24.143 -11.741 1.00 0.00 C ATOM 182 CG2 VAL A 15 23.152 -22.808 -13.199 1.00 0.00 C ATOM 0 H VAL A 15 24.774 -20.831 -13.976 1.00 0.00 H new ATOM 0 HA VAL A 15 24.500 -21.438 -11.227 1.00 0.00 H new ATOM 0 HB VAL A 15 25.204 -23.227 -13.594 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.314 -25.054 -12.206 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.733 -24.285 -11.456 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.100 -23.918 -10.853 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.795 -23.737 -13.644 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.520 -22.546 -12.350 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.111 -22.011 -13.941 1.00 0.00 H new ATOM 192 N SER A 16 27.498 -21.471 -12.478 1.00 0.00 N ATOM 193 CA SER A 16 28.916 -21.619 -12.169 1.00 0.00 C ATOM 194 C SER A 16 29.306 -20.746 -10.980 1.00 0.00 C ATOM 195 O SER A 16 29.934 -21.217 -10.032 1.00 0.00 O ATOM 196 CB SER A 16 29.766 -21.250 -13.387 1.00 0.00 C ATOM 197 OG SER A 16 28.963 -20.721 -14.428 1.00 0.00 O ATOM 0 H SER A 16 27.306 -21.018 -13.371 1.00 0.00 H new ATOM 0 HA SER A 16 29.099 -22.661 -11.909 1.00 0.00 H new ATOM 0 HB2 SER A 16 30.522 -20.519 -13.099 1.00 0.00 H new ATOM 0 HB3 SER A 16 30.296 -22.132 -13.745 1.00 0.00 H new ATOM 0 HG SER A 16 29.530 -20.492 -15.194 1.00 0.00 H new ATOM 203 N GLU A 17 28.929 -19.473 -11.039 1.00 0.00 N ATOM 204 CA GLU A 17 29.240 -18.535 -9.967 1.00 0.00 C ATOM 205 C GLU A 17 28.613 -18.984 -8.651 1.00 0.00 C ATOM 206 O GLU A 17 29.105 -18.654 -7.572 1.00 0.00 O ATOM 207 CB GLU A 17 28.746 -17.132 -10.327 1.00 0.00 C ATOM 208 CG GLU A 17 29.261 -16.630 -11.665 1.00 0.00 C ATOM 209 CD GLU A 17 30.311 -15.546 -11.516 1.00 0.00 C ATOM 210 OE1 GLU A 17 30.120 -14.649 -10.669 1.00 0.00 O ATOM 211 OE2 GLU A 17 31.323 -15.594 -12.247 1.00 0.00 O ATOM 0 H GLU A 17 28.408 -19.068 -11.817 1.00 0.00 H new ATOM 0 HA GLU A 17 30.323 -18.511 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.656 -17.133 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.052 -16.437 -9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.683 -17.465 -12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.426 -16.244 -12.250 1.00 0.00 H new ATOM 218 N TRP A 18 27.524 -19.739 -8.749 1.00 0.00 N ATOM 219 CA TRP A 18 26.828 -20.233 -7.566 1.00 0.00 C ATOM 220 C TRP A 18 27.544 -21.445 -6.980 1.00 0.00 C ATOM 221 O TRP A 18 27.901 -21.458 -5.802 1.00 0.00 O ATOM 222 CB TRP A 18 25.384 -20.598 -7.914 1.00 0.00 C ATOM 223 CG TRP A 18 24.662 -21.294 -6.800 1.00 0.00 C ATOM 224 CD1 TRP A 18 24.431 -20.810 -5.545 1.00 0.00 C ATOM 225 CD2 TRP A 18 24.080 -22.602 -6.842 1.00 0.00 C ATOM 226 NE1 TRP A 18 23.740 -21.738 -4.803 1.00 0.00 N ATOM 227 CE2 TRP A 18 23.512 -22.845 -5.577 1.00 0.00 C ATOM 228 CE3 TRP A 18 23.982 -23.590 -7.826 1.00 0.00 C ATOM 229 CZ2 TRP A 18 22.857 -24.036 -5.272 1.00 0.00 C ATOM 230 CZ3 TRP A 18 23.333 -24.771 -7.522 1.00 0.00 C ATOM 231 CH2 TRP A 18 22.776 -24.986 -6.254 1.00 0.00 C ATOM 0 H TRP A 18 27.104 -20.022 -9.635 1.00 0.00 H new ATOM 0 HA TRP A 18 26.825 -19.439 -6.819 1.00 0.00 H new ATOM 0 HB2 TRP A 18 24.841 -19.691 -8.178 1.00 0.00 H new ATOM 0 HB3 TRP A 18 25.381 -21.239 -8.796 1.00 0.00 H new ATOM 0 HD1 TRP A 18 24.745 -19.840 -5.187 1.00 0.00 H new ATOM 0 HE1 TRP A 18 23.445 -21.621 -3.834 1.00 0.00 H new ATOM 0 HE3 TRP A 18 24.406 -23.433 -8.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 22.428 -24.204 -4.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 23.253 -25.542 -8.274 1.00 0.00 H new ATOM 0 HH2 TRP A 18 22.273 -25.919 -6.048 1.00 0.00 H new ATOM 242 N LEU A 19 27.752 -22.462 -7.810 1.00 0.00 N ATOM 243 CA LEU A 19 28.426 -23.680 -7.373 1.00 0.00 C ATOM 244 C LEU A 19 29.858 -23.384 -6.940 1.00 0.00 C ATOM 245 O LEU A 19 30.293 -23.809 -5.871 1.00 0.00 O ATOM 246 CB LEU A 19 28.425 -24.718 -8.497 1.00 0.00 C ATOM 247 CG LEU A 19 27.165 -25.576 -8.617 1.00 0.00 C ATOM 248 CD1 LEU A 19 27.122 -26.274 -9.968 1.00 0.00 C ATOM 249 CD2 LEU A 19 27.103 -26.593 -7.487 1.00 0.00 C ATOM 0 H LEU A 19 27.464 -22.467 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 19 27.882 -24.080 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.579 -24.200 -9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.279 -25.380 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 19 26.295 -24.924 -8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.219 -26.880 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.119 -25.528 -10.763 1.00 0.00 H new ATOM 0 HD13 LEU A 19 27.997 -26.915 -10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.200 -27.195 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 19 27.978 -27.241 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.087 -26.072 -6.529 1.00 0.00 H new ATOM 261 N GLU A 20 30.585 -22.650 -7.778 1.00 0.00 N ATOM 262 CA GLU A 20 31.968 -22.297 -7.480 1.00 0.00 C ATOM 263 C GLU A 20 32.079 -21.647 -6.104 1.00 0.00 C ATOM 264 O GLU A 20 33.109 -21.750 -5.438 1.00 0.00 O ATOM 265 CB GLU A 20 32.517 -21.349 -8.549 1.00 0.00 C ATOM 266 CG GLU A 20 31.985 -19.931 -8.436 1.00 0.00 C ATOM 267 CD GLU A 20 32.795 -19.078 -7.478 1.00 0.00 C ATOM 268 OE1 GLU A 20 33.812 -19.578 -6.953 1.00 0.00 O ATOM 269 OE2 GLU A 20 32.412 -17.911 -7.255 1.00 0.00 O ATOM 0 H GLU A 20 30.239 -22.289 -8.667 1.00 0.00 H new ATOM 0 HA GLU A 20 32.558 -23.214 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 20 33.605 -21.327 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 20 32.269 -21.744 -9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 20 31.988 -19.466 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 20 30.948 -19.962 -8.101 1.00 0.00 H new ATOM 276 N SER A 21 31.010 -20.977 -5.684 1.00 0.00 N ATOM 277 CA SER A 21 30.988 -20.306 -4.389 1.00 0.00 C ATOM 278 C SER A 21 31.072 -21.319 -3.252 1.00 0.00 C ATOM 279 O SER A 21 31.660 -21.045 -2.204 1.00 0.00 O ATOM 280 CB SER A 21 29.717 -19.467 -4.247 1.00 0.00 C ATOM 281 OG SER A 21 28.733 -20.156 -3.495 1.00 0.00 O ATOM 0 H SER A 21 30.148 -20.884 -6.222 1.00 0.00 H new ATOM 0 HA SER A 21 31.856 -19.649 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 21 29.954 -18.521 -3.761 1.00 0.00 H new ATOM 0 HB3 SER A 21 29.323 -19.228 -5.235 1.00 0.00 H new ATOM 0 HG SER A 21 28.236 -20.761 -4.084 1.00 0.00 H new ATOM 287 N ILE A 22 30.481 -22.490 -3.465 1.00 0.00 N ATOM 288 CA ILE A 22 30.490 -23.544 -2.459 1.00 0.00 C ATOM 289 C ILE A 22 31.441 -24.671 -2.851 1.00 0.00 C ATOM 290 O ILE A 22 31.294 -25.807 -2.400 1.00 0.00 O ATOM 291 CB ILE A 22 29.081 -24.129 -2.243 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.569 -24.771 -3.534 1.00 0.00 C ATOM 293 CG2 ILE A 22 28.125 -23.044 -1.770 1.00 0.00 C ATOM 294 CD1 ILE A 22 27.194 -25.387 -3.398 1.00 0.00 C ATOM 0 H ILE A 22 29.990 -22.732 -4.326 1.00 0.00 H new ATOM 0 HA ILE A 22 30.832 -23.089 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 22 29.136 -24.899 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.544 -24.017 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 22 29.273 -25.540 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.134 -23.472 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.485 -22.627 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 22 28.071 -22.255 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.895 -25.823 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.218 -26.165 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.477 -24.618 -3.110 1.00 0.00 H new ATOM 306 N LYS A 23 32.417 -24.347 -3.692 1.00 0.00 N ATOM 307 CA LYS A 23 33.395 -25.330 -4.143 1.00 0.00 C ATOM 308 C LYS A 23 32.704 -26.573 -4.694 1.00 0.00 C ATOM 309 O LYS A 23 32.999 -27.693 -4.279 1.00 0.00 O ATOM 310 CB LYS A 23 34.327 -25.718 -2.993 1.00 0.00 C ATOM 311 CG LYS A 23 35.185 -24.570 -2.491 1.00 0.00 C ATOM 312 CD LYS A 23 36.179 -24.115 -3.546 1.00 0.00 C ATOM 313 CE LYS A 23 35.788 -22.768 -4.135 1.00 0.00 C ATOM 314 NZ LYS A 23 36.980 -21.936 -4.456 1.00 0.00 N ATOM 0 H LYS A 23 32.552 -23.411 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 23 33.983 -24.879 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.730 -26.102 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 23 34.977 -26.529 -3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 23 34.546 -23.734 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.721 -24.880 -1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 23 37.173 -24.046 -3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 23 36.234 -24.859 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 23 35.200 -22.924 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 23 35.152 -22.234 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 36.671 -21.027 -4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 37.528 -21.765 -3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 37.575 -22.434 -5.149 1.00 0.00 H new ATOM 328 N MET A 24 31.783 -26.367 -5.630 1.00 0.00 N ATOM 329 CA MET A 24 31.052 -27.472 -6.239 1.00 0.00 C ATOM 330 C MET A 24 30.836 -27.226 -7.729 1.00 0.00 C ATOM 331 O MET A 24 29.838 -27.664 -8.300 1.00 0.00 O ATOM 332 CB MET A 24 29.705 -27.666 -5.541 1.00 0.00 C ATOM 333 CG MET A 24 29.827 -28.175 -4.114 1.00 0.00 C ATOM 334 SD MET A 24 29.735 -29.973 -4.008 1.00 0.00 S ATOM 335 CE MET A 24 31.400 -30.367 -3.478 1.00 0.00 C ATOM 0 H MET A 24 31.525 -25.445 -5.983 1.00 0.00 H new ATOM 0 HA MET A 24 31.647 -28.377 -6.122 1.00 0.00 H new ATOM 0 HB2 MET A 24 29.168 -26.717 -5.535 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.104 -28.368 -6.118 1.00 0.00 H new ATOM 0 HG2 MET A 24 30.774 -27.838 -3.692 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.034 -27.738 -3.507 1.00 0.00 H new ATOM 0 HE1 MET A 24 31.687 -31.341 -3.873 1.00 0.00 H new ATOM 0 HE2 MET A 24 32.089 -29.608 -3.849 1.00 0.00 H new ATOM 0 HE3 MET A 24 31.439 -30.392 -2.389 1.00 0.00 H new ATOM 345 N GLN A 25 31.776 -26.521 -8.350 1.00 0.00 N ATOM 346 CA GLN A 25 31.686 -26.216 -9.773 1.00 0.00 C ATOM 347 C GLN A 25 31.850 -27.479 -10.612 1.00 0.00 C ATOM 348 O GLN A 25 31.323 -27.572 -11.720 1.00 0.00 O ATOM 349 CB GLN A 25 32.749 -25.188 -10.164 1.00 0.00 C ATOM 350 CG GLN A 25 34.168 -25.625 -9.836 1.00 0.00 C ATOM 351 CD GLN A 25 35.202 -24.584 -10.218 1.00 0.00 C ATOM 352 OE1 GLN A 25 35.647 -24.526 -11.364 1.00 0.00 O ATOM 353 NE2 GLN A 25 35.590 -23.755 -9.256 1.00 0.00 N ATOM 0 H GLN A 25 32.608 -26.151 -7.891 1.00 0.00 H new ATOM 0 HA GLN A 25 30.698 -25.798 -9.968 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.676 -24.991 -11.234 1.00 0.00 H new ATOM 0 HB3 GLN A 25 32.540 -24.249 -9.652 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.243 -25.831 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 25 34.387 -26.557 -10.357 1.00 0.00 H new ATOM 0 HE21 GLN A 25 35.194 -23.839 -8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 25 36.284 -23.034 -9.453 1.00 0.00 H new ATOM 362 N GLN A 26 32.585 -28.449 -10.076 1.00 0.00 N ATOM 363 CA GLN A 26 32.819 -29.706 -10.776 1.00 0.00 C ATOM 364 C GLN A 26 31.501 -30.401 -11.103 1.00 0.00 C ATOM 365 O GLN A 26 31.420 -31.188 -12.046 1.00 0.00 O ATOM 366 CB GLN A 26 33.700 -30.628 -9.932 1.00 0.00 C ATOM 367 CG GLN A 26 32.994 -31.193 -8.710 1.00 0.00 C ATOM 368 CD GLN A 26 32.649 -32.662 -8.862 1.00 0.00 C ATOM 369 OE1 GLN A 26 32.312 -33.122 -9.954 1.00 0.00 O ATOM 370 NE2 GLN A 26 32.732 -33.406 -7.766 1.00 0.00 N ATOM 0 H GLN A 26 33.028 -28.388 -9.159 1.00 0.00 H new ATOM 0 HA GLN A 26 33.332 -29.482 -11.711 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.049 -31.453 -10.554 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.583 -30.077 -9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.630 -31.062 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.081 -30.626 -8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.016 -32.983 -6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 26 32.512 -34.401 -7.807 1.00 0.00 H new ATOM 379 N TYR A 27 30.472 -30.105 -10.317 1.00 0.00 N ATOM 380 CA TYR A 27 29.158 -30.703 -10.521 1.00 0.00 C ATOM 381 C TYR A 27 28.332 -29.882 -11.506 1.00 0.00 C ATOM 382 O TYR A 27 27.290 -30.329 -11.986 1.00 0.00 O ATOM 383 CB TYR A 27 28.415 -30.821 -9.188 1.00 0.00 C ATOM 384 CG TYR A 27 28.870 -31.988 -8.342 1.00 0.00 C ATOM 385 CD1 TYR A 27 28.807 -33.289 -8.826 1.00 0.00 C ATOM 386 CD2 TYR A 27 29.365 -31.790 -7.059 1.00 0.00 C ATOM 387 CE1 TYR A 27 29.221 -34.359 -8.057 1.00 0.00 C ATOM 388 CE2 TYR A 27 29.783 -32.854 -6.283 1.00 0.00 C ATOM 389 CZ TYR A 27 29.708 -34.136 -6.786 1.00 0.00 C ATOM 390 OH TYR A 27 30.123 -35.199 -6.016 1.00 0.00 O ATOM 0 H TYR A 27 30.522 -29.455 -9.533 1.00 0.00 H new ATOM 0 HA TYR A 27 29.302 -31.700 -10.938 1.00 0.00 H new ATOM 0 HB2 TYR A 27 28.551 -29.899 -8.623 1.00 0.00 H new ATOM 0 HB3 TYR A 27 27.347 -30.920 -9.384 1.00 0.00 H new ATOM 0 HD1 TYR A 27 28.427 -33.467 -9.821 1.00 0.00 H new ATOM 0 HD2 TYR A 27 29.424 -30.788 -6.662 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.164 -35.364 -8.448 1.00 0.00 H new ATOM 0 HE2 TYR A 27 30.166 -32.683 -5.288 1.00 0.00 H new ATOM 0 HH TYR A 27 30.272 -34.898 -5.095 1.00 0.00 H new ATOM 400 N THR A 28 28.805 -28.675 -11.803 1.00 0.00 N ATOM 401 CA THR A 28 28.111 -27.790 -12.729 1.00 0.00 C ATOM 402 C THR A 28 27.799 -28.501 -14.041 1.00 0.00 C ATOM 403 O THR A 28 26.722 -28.327 -14.610 1.00 0.00 O ATOM 404 CB THR A 28 28.943 -26.528 -13.029 1.00 0.00 C ATOM 405 OG1 THR A 28 29.334 -25.897 -11.805 1.00 0.00 O ATOM 406 CG2 THR A 28 28.150 -25.547 -13.880 1.00 0.00 C ATOM 0 H THR A 28 29.666 -28.289 -11.415 1.00 0.00 H new ATOM 0 HA THR A 28 27.178 -27.497 -12.247 1.00 0.00 H new ATOM 0 HB THR A 28 29.832 -26.829 -13.583 1.00 0.00 H new ATOM 0 HG1 THR A 28 29.864 -25.097 -12.004 1.00 0.00 H new ATOM 0 HG21 THR A 28 28.757 -24.664 -14.079 1.00 0.00 H new ATOM 0 HG22 THR A 28 27.878 -26.021 -14.823 1.00 0.00 H new ATOM 0 HG23 THR A 28 27.245 -25.253 -13.348 1.00 0.00 H new ATOM 414 N GLU A 29 28.747 -29.305 -14.513 1.00 0.00 N ATOM 415 CA GLU A 29 28.571 -30.043 -15.759 1.00 0.00 C ATOM 416 C GLU A 29 27.366 -30.976 -15.672 1.00 0.00 C ATOM 417 O GLU A 29 26.690 -31.229 -16.670 1.00 0.00 O ATOM 418 CB GLU A 29 29.831 -30.847 -16.083 1.00 0.00 C ATOM 419 CG GLU A 29 31.078 -29.992 -16.229 1.00 0.00 C ATOM 420 CD GLU A 29 32.253 -30.534 -15.437 1.00 0.00 C ATOM 421 OE1 GLU A 29 32.394 -30.159 -14.254 1.00 0.00 O ATOM 422 OE2 GLU A 29 33.030 -31.333 -16.000 1.00 0.00 O ATOM 0 H GLU A 29 29.643 -29.462 -14.052 1.00 0.00 H new ATOM 0 HA GLU A 29 28.394 -29.322 -16.557 1.00 0.00 H new ATOM 0 HB2 GLU A 29 29.995 -31.582 -15.295 1.00 0.00 H new ATOM 0 HB3 GLU A 29 29.670 -31.401 -17.008 1.00 0.00 H new ATOM 0 HG2 GLU A 29 31.351 -29.932 -17.282 1.00 0.00 H new ATOM 0 HG3 GLU A 29 30.859 -28.977 -15.898 1.00 0.00 H new ATOM 429 N HIS A 30 27.104 -31.485 -14.473 1.00 0.00 N ATOM 430 CA HIS A 30 25.982 -32.391 -14.255 1.00 0.00 C ATOM 431 C HIS A 30 24.670 -31.617 -14.162 1.00 0.00 C ATOM 432 O HIS A 30 23.654 -32.028 -14.724 1.00 0.00 O ATOM 433 CB HIS A 30 26.197 -33.207 -12.980 1.00 0.00 C ATOM 434 CG HIS A 30 27.277 -34.237 -13.104 1.00 0.00 C ATOM 435 ND1 HIS A 30 28.532 -33.957 -13.603 1.00 0.00 N ATOM 436 CD2 HIS A 30 27.285 -35.554 -12.789 1.00 0.00 C ATOM 437 CE1 HIS A 30 29.264 -35.056 -13.591 1.00 0.00 C ATOM 438 NE2 HIS A 30 28.531 -36.040 -13.101 1.00 0.00 N ATOM 0 H HIS A 30 27.653 -31.286 -13.637 1.00 0.00 H new ATOM 0 HA HIS A 30 25.925 -33.070 -15.106 1.00 0.00 H new ATOM 0 HB2 HIS A 30 26.444 -32.530 -12.162 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.263 -33.702 -12.713 1.00 0.00 H new ATOM 0 HD2 HIS A 30 26.464 -36.117 -12.370 1.00 0.00 H new ATOM 0 HE1 HIS A 30 30.288 -35.137 -13.925 1.00 0.00 H new ATOM 0 HE2 HIS A 30 28.840 -37.004 -12.975 1.00 0.00 H new ATOM 446 N PHE A 31 24.699 -30.496 -13.449 1.00 0.00 N ATOM 447 CA PHE A 31 23.512 -29.666 -13.282 1.00 0.00 C ATOM 448 C PHE A 31 22.886 -29.332 -14.633 1.00 0.00 C ATOM 449 O PHE A 31 21.670 -29.414 -14.803 1.00 0.00 O ATOM 450 CB PHE A 31 23.866 -28.376 -12.538 1.00 0.00 C ATOM 451 CG PHE A 31 23.729 -28.487 -11.047 1.00 0.00 C ATOM 452 CD1 PHE A 31 24.790 -28.925 -10.271 1.00 0.00 C ATOM 453 CD2 PHE A 31 22.539 -28.153 -10.421 1.00 0.00 C ATOM 454 CE1 PHE A 31 24.666 -29.029 -8.898 1.00 0.00 C ATOM 455 CE2 PHE A 31 22.409 -28.254 -9.048 1.00 0.00 C ATOM 456 CZ PHE A 31 23.474 -28.692 -8.286 1.00 0.00 C ATOM 0 H PHE A 31 25.531 -30.142 -12.978 1.00 0.00 H new ATOM 0 HA PHE A 31 22.786 -30.229 -12.695 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.891 -28.096 -12.781 1.00 0.00 H new ATOM 0 HB3 PHE A 31 23.223 -27.572 -12.895 1.00 0.00 H new ATOM 0 HD1 PHE A 31 25.725 -29.188 -10.744 1.00 0.00 H new ATOM 0 HD2 PHE A 31 21.703 -27.810 -11.012 1.00 0.00 H new ATOM 0 HE1 PHE A 31 25.500 -29.373 -8.304 1.00 0.00 H new ATOM 0 HE2 PHE A 31 21.476 -27.991 -8.572 1.00 0.00 H new ATOM 0 HZ PHE A 31 23.375 -28.771 -7.213 1.00 0.00 H new ATOM 466 N MET A 32 23.727 -28.955 -15.590 1.00 0.00 N ATOM 467 CA MET A 32 23.257 -28.609 -16.927 1.00 0.00 C ATOM 468 C MET A 32 22.578 -29.803 -17.590 1.00 0.00 C ATOM 469 O MET A 32 21.466 -29.689 -18.105 1.00 0.00 O ATOM 470 CB MET A 32 24.423 -28.125 -17.791 1.00 0.00 C ATOM 471 CG MET A 32 25.211 -26.985 -17.166 1.00 0.00 C ATOM 472 SD MET A 32 25.559 -25.658 -18.336 1.00 0.00 S ATOM 473 CE MET A 32 25.258 -24.218 -17.314 1.00 0.00 C ATOM 0 H MET A 32 24.737 -28.881 -15.465 1.00 0.00 H new ATOM 0 HA MET A 32 22.527 -27.805 -16.832 1.00 0.00 H new ATOM 0 HB2 MET A 32 25.097 -28.961 -17.979 1.00 0.00 H new ATOM 0 HB3 MET A 32 24.038 -27.802 -18.758 1.00 0.00 H new ATOM 0 HG2 MET A 32 24.652 -26.582 -16.321 1.00 0.00 H new ATOM 0 HG3 MET A 32 26.150 -27.372 -16.771 1.00 0.00 H new ATOM 0 HE1 MET A 32 24.512 -23.583 -17.791 1.00 0.00 H new ATOM 0 HE2 MET A 32 24.894 -24.535 -16.337 1.00 0.00 H new ATOM 0 HE3 MET A 32 26.185 -23.659 -17.191 1.00 0.00 H new ATOM 483 N ALA A 33 23.254 -30.947 -17.575 1.00 0.00 N ATOM 484 CA ALA A 33 22.715 -32.161 -18.173 1.00 0.00 C ATOM 485 C ALA A 33 21.331 -32.480 -17.617 1.00 0.00 C ATOM 486 O ALA A 33 20.481 -33.027 -18.319 1.00 0.00 O ATOM 487 CB ALA A 33 23.662 -33.329 -17.941 1.00 0.00 C ATOM 0 H ALA A 33 24.177 -31.058 -17.155 1.00 0.00 H new ATOM 0 HA ALA A 33 22.617 -31.995 -19.246 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.247 -34.230 -18.393 1.00 0.00 H new ATOM 0 HB2 ALA A 33 24.629 -33.109 -18.393 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.790 -33.487 -16.870 1.00 0.00 H new ATOM 493 N ALA A 34 21.114 -32.135 -16.352 1.00 0.00 N ATOM 494 CA ALA A 34 19.833 -32.384 -15.702 1.00 0.00 C ATOM 495 C ALA A 34 18.799 -31.339 -16.109 1.00 0.00 C ATOM 496 O ALA A 34 17.596 -31.591 -16.062 1.00 0.00 O ATOM 497 CB ALA A 34 20.002 -32.401 -14.190 1.00 0.00 C ATOM 0 H ALA A 34 21.808 -31.683 -15.757 1.00 0.00 H new ATOM 0 HA ALA A 34 19.473 -33.360 -16.027 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.037 -32.588 -13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 34 20.701 -33.189 -13.911 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.389 -31.438 -13.856 1.00 0.00 H new ATOM 503 N GLY A 35 19.277 -30.164 -16.508 1.00 0.00 N ATOM 504 CA GLY A 35 18.380 -29.099 -16.916 1.00 0.00 C ATOM 505 C GLY A 35 18.403 -27.923 -15.959 1.00 0.00 C ATOM 506 O GLY A 35 17.380 -27.275 -15.738 1.00 0.00 O ATOM 0 H GLY A 35 20.269 -29.931 -16.556 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.657 -28.757 -17.913 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.364 -29.489 -16.983 1.00 0.00 H new ATOM 510 N TYR A 36 19.571 -27.649 -15.389 1.00 0.00 N ATOM 511 CA TYR A 36 19.722 -26.547 -14.447 1.00 0.00 C ATOM 512 C TYR A 36 20.829 -25.597 -14.893 1.00 0.00 C ATOM 513 O TYR A 36 21.775 -25.333 -14.150 1.00 0.00 O ATOM 514 CB TYR A 36 20.027 -27.082 -13.047 1.00 0.00 C ATOM 515 CG TYR A 36 19.057 -28.144 -12.580 1.00 0.00 C ATOM 516 CD1 TYR A 36 17.687 -27.977 -12.733 1.00 0.00 C ATOM 517 CD2 TYR A 36 19.512 -29.316 -11.987 1.00 0.00 C ATOM 518 CE1 TYR A 36 16.797 -28.944 -12.307 1.00 0.00 C ATOM 519 CE2 TYR A 36 18.630 -30.289 -11.560 1.00 0.00 C ATOM 520 CZ TYR A 36 17.274 -30.098 -11.721 1.00 0.00 C ATOM 521 OH TYR A 36 16.391 -31.065 -11.297 1.00 0.00 O ATOM 0 H TYR A 36 20.427 -28.175 -15.563 1.00 0.00 H new ATOM 0 HA TYR A 36 18.783 -25.995 -14.420 1.00 0.00 H new ATOM 0 HB2 TYR A 36 21.036 -27.494 -13.036 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.013 -26.253 -12.339 1.00 0.00 H new ATOM 0 HD1 TYR A 36 17.311 -27.075 -13.193 1.00 0.00 H new ATOM 0 HD2 TYR A 36 20.573 -29.468 -11.858 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.734 -28.797 -12.432 1.00 0.00 H new ATOM 0 HE2 TYR A 36 19.000 -31.195 -11.102 1.00 0.00 H new ATOM 0 HH TYR A 36 15.942 -30.763 -10.480 1.00 0.00 H new ATOM 531 N THR A 37 20.704 -25.084 -16.113 1.00 0.00 N ATOM 532 CA THR A 37 21.692 -24.163 -16.661 1.00 0.00 C ATOM 533 C THR A 37 21.472 -22.747 -16.141 1.00 0.00 C ATOM 534 O THR A 37 22.402 -21.942 -16.093 1.00 0.00 O ATOM 535 CB THR A 37 21.651 -24.145 -18.200 1.00 0.00 C ATOM 536 OG1 THR A 37 20.459 -23.493 -18.651 1.00 0.00 O ATOM 537 CG2 THR A 37 21.704 -25.559 -18.760 1.00 0.00 C ATOM 0 H THR A 37 19.927 -25.291 -16.741 1.00 0.00 H new ATOM 0 HA THR A 37 22.670 -24.519 -16.336 1.00 0.00 H new ATOM 0 HB THR A 37 22.522 -23.597 -18.558 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.442 -23.484 -19.631 1.00 0.00 H new ATOM 0 HG21 THR A 37 21.674 -25.520 -19.849 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.627 -26.043 -18.440 1.00 0.00 H new ATOM 0 HG23 THR A 37 20.850 -26.128 -18.393 1.00 0.00 H new ATOM 545 N ALA A 38 20.237 -22.450 -15.751 1.00 0.00 N ATOM 546 CA ALA A 38 19.896 -21.132 -15.232 1.00 0.00 C ATOM 547 C ALA A 38 19.393 -21.220 -13.796 1.00 0.00 C ATOM 548 O ALA A 38 18.705 -22.173 -13.427 1.00 0.00 O ATOM 549 CB ALA A 38 18.852 -20.469 -16.119 1.00 0.00 C ATOM 0 H ALA A 38 19.456 -23.105 -15.785 1.00 0.00 H new ATOM 0 HA ALA A 38 20.800 -20.523 -15.236 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.607 -19.485 -15.719 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.248 -20.362 -17.129 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.953 -21.084 -16.145 1.00 0.00 H new ATOM 555 N ILE A 39 19.741 -20.223 -12.989 1.00 0.00 N ATOM 556 CA ILE A 39 19.324 -20.190 -11.593 1.00 0.00 C ATOM 557 C ILE A 39 17.807 -20.279 -11.470 1.00 0.00 C ATOM 558 O ILE A 39 17.282 -20.719 -10.448 1.00 0.00 O ATOM 559 CB ILE A 39 19.811 -18.909 -10.891 1.00 0.00 C ATOM 560 CG1 ILE A 39 21.330 -18.776 -11.019 1.00 0.00 C ATOM 561 CG2 ILE A 39 19.396 -18.917 -9.427 1.00 0.00 C ATOM 562 CD1 ILE A 39 22.092 -19.920 -10.387 1.00 0.00 C ATOM 0 H ILE A 39 20.311 -19.428 -13.278 1.00 0.00 H new ATOM 0 HA ILE A 39 19.776 -21.055 -11.108 1.00 0.00 H new ATOM 0 HB ILE A 39 19.348 -18.049 -11.375 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.593 -18.714 -12.075 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.645 -17.841 -10.556 1.00 0.00 H new ATOM 0 HG21 ILE A 39 19.747 -18.005 -8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 39 18.309 -18.969 -9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 39 19.833 -19.783 -8.930 1.00 0.00 H new ATOM 0 HD11 ILE A 39 23.162 -19.759 -10.516 1.00 0.00 H new ATOM 0 HD12 ILE A 39 21.858 -19.970 -9.324 1.00 0.00 H new ATOM 0 HD13 ILE A 39 21.806 -20.856 -10.866 1.00 0.00 H new ATOM 574 N GLU A 40 17.108 -19.859 -12.520 1.00 0.00 N ATOM 575 CA GLU A 40 15.650 -19.892 -12.529 1.00 0.00 C ATOM 576 C GLU A 40 15.138 -21.322 -12.380 1.00 0.00 C ATOM 577 O GLU A 40 14.060 -21.553 -11.831 1.00 0.00 O ATOM 578 CB GLU A 40 15.112 -19.278 -13.824 1.00 0.00 C ATOM 579 CG GLU A 40 15.771 -17.959 -14.191 1.00 0.00 C ATOM 580 CD GLU A 40 14.881 -17.084 -15.053 1.00 0.00 C ATOM 581 OE1 GLU A 40 14.133 -17.635 -15.887 1.00 0.00 O ATOM 582 OE2 GLU A 40 14.934 -15.846 -14.892 1.00 0.00 O ATOM 0 H GLU A 40 17.527 -19.492 -13.374 1.00 0.00 H new ATOM 0 HA GLU A 40 15.293 -19.306 -11.682 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.257 -19.986 -14.640 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.038 -19.122 -13.724 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.031 -17.421 -13.280 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.703 -18.157 -14.721 1.00 0.00 H new ATOM 589 N LYS A 41 15.917 -22.278 -12.873 1.00 0.00 N ATOM 590 CA LYS A 41 15.545 -23.685 -12.795 1.00 0.00 C ATOM 591 C LYS A 41 16.204 -24.357 -11.594 1.00 0.00 C ATOM 592 O LYS A 41 15.629 -25.255 -10.979 1.00 0.00 O ATOM 593 CB LYS A 41 15.944 -24.412 -14.082 1.00 0.00 C ATOM 594 CG LYS A 41 15.347 -23.798 -15.336 1.00 0.00 C ATOM 595 CD LYS A 41 16.428 -23.311 -16.287 1.00 0.00 C ATOM 596 CE LYS A 41 15.839 -22.504 -17.434 1.00 0.00 C ATOM 597 NZ LYS A 41 15.987 -21.039 -17.215 1.00 0.00 N ATOM 0 H LYS A 41 16.811 -22.104 -13.332 1.00 0.00 H new ATOM 0 HA LYS A 41 14.463 -23.742 -12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.031 -24.411 -14.168 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.631 -25.454 -14.013 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.722 -24.535 -15.841 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.700 -22.965 -15.062 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.146 -22.699 -15.741 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.976 -24.165 -16.685 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.332 -22.784 -18.365 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.783 -22.750 -17.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.115 -20.554 -17.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.163 -20.855 -16.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.786 -20.683 -17.777 1.00 0.00 H new ATOM 611 N VAL A 42 17.414 -23.915 -11.265 1.00 0.00 N ATOM 612 CA VAL A 42 18.151 -24.472 -10.137 1.00 0.00 C ATOM 613 C VAL A 42 17.341 -24.370 -8.849 1.00 0.00 C ATOM 614 O VAL A 42 17.545 -25.143 -7.912 1.00 0.00 O ATOM 615 CB VAL A 42 19.501 -23.757 -9.940 1.00 0.00 C ATOM 616 CG1 VAL A 42 20.236 -24.327 -8.737 1.00 0.00 C ATOM 617 CG2 VAL A 42 20.350 -23.869 -11.197 1.00 0.00 C ATOM 0 H VAL A 42 17.904 -23.173 -11.764 1.00 0.00 H new ATOM 0 HA VAL A 42 18.335 -25.522 -10.366 1.00 0.00 H new ATOM 0 HB VAL A 42 19.310 -22.701 -9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.187 -23.810 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.630 -24.190 -7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.419 -25.390 -8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.300 -23.359 -11.041 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.535 -24.920 -11.419 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.824 -23.409 -12.033 1.00 0.00 H new ATOM 627 N VAL A 43 16.421 -23.412 -8.809 1.00 0.00 N ATOM 628 CA VAL A 43 15.579 -23.209 -7.636 1.00 0.00 C ATOM 629 C VAL A 43 14.383 -24.154 -7.648 1.00 0.00 C ATOM 630 O VAL A 43 13.822 -24.474 -6.601 1.00 0.00 O ATOM 631 CB VAL A 43 15.071 -21.757 -7.553 1.00 0.00 C ATOM 632 CG1 VAL A 43 16.240 -20.787 -7.467 1.00 0.00 C ATOM 633 CG2 VAL A 43 14.186 -21.434 -8.747 1.00 0.00 C ATOM 0 H VAL A 43 16.240 -22.764 -9.576 1.00 0.00 H new ATOM 0 HA VAL A 43 16.197 -23.420 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 43 14.474 -21.650 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.862 -19.766 -7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.830 -21.007 -6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.866 -20.892 -8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.836 -20.404 -8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.757 -21.557 -9.667 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.330 -22.109 -8.758 1.00 0.00 H new ATOM 643 N GLN A 44 13.998 -24.597 -8.841 1.00 0.00 N ATOM 644 CA GLN A 44 12.868 -25.506 -8.989 1.00 0.00 C ATOM 645 C GLN A 44 13.219 -26.900 -8.478 1.00 0.00 C ATOM 646 O GLN A 44 12.398 -27.564 -7.846 1.00 0.00 O ATOM 647 CB GLN A 44 12.436 -25.582 -10.455 1.00 0.00 C ATOM 648 CG GLN A 44 11.920 -24.262 -11.006 1.00 0.00 C ATOM 649 CD GLN A 44 10.750 -24.443 -11.953 1.00 0.00 C ATOM 650 OE1 GLN A 44 9.729 -25.028 -11.592 1.00 0.00 O ATOM 651 NE2 GLN A 44 10.893 -23.939 -13.173 1.00 0.00 N ATOM 0 H GLN A 44 14.452 -24.341 -9.718 1.00 0.00 H new ATOM 0 HA GLN A 44 12.042 -25.118 -8.393 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.282 -25.912 -11.058 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.658 -26.338 -10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.617 -23.621 -10.178 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.728 -23.749 -11.527 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.757 -23.462 -13.430 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.139 -24.029 -13.854 1.00 0.00 H new ATOM 660 N MET A 45 14.443 -27.336 -8.756 1.00 0.00 N ATOM 661 CA MET A 45 14.902 -28.650 -8.324 1.00 0.00 C ATOM 662 C MET A 45 14.736 -28.815 -6.816 1.00 0.00 C ATOM 663 O MET A 45 14.818 -27.845 -6.062 1.00 0.00 O ATOM 664 CB MET A 45 16.368 -28.856 -8.712 1.00 0.00 C ATOM 665 CG MET A 45 17.338 -28.034 -7.879 1.00 0.00 C ATOM 666 SD MET A 45 18.476 -29.058 -6.926 1.00 0.00 S ATOM 667 CE MET A 45 19.371 -29.883 -8.240 1.00 0.00 C ATOM 0 H MET A 45 15.135 -26.798 -9.279 1.00 0.00 H new ATOM 0 HA MET A 45 14.292 -29.402 -8.824 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.618 -29.912 -8.609 1.00 0.00 H new ATOM 0 HB3 MET A 45 16.497 -28.599 -9.763 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.909 -27.378 -8.536 1.00 0.00 H new ATOM 0 HG3 MET A 45 16.775 -27.394 -7.199 1.00 0.00 H new ATOM 0 HE1 MET A 45 20.274 -30.340 -7.834 1.00 0.00 H new ATOM 0 HE2 MET A 45 18.740 -30.655 -8.681 1.00 0.00 H new ATOM 0 HE3 MET A 45 19.644 -29.157 -9.006 1.00 0.00 H new ATOM 677 N THR A 46 14.502 -30.050 -6.383 1.00 0.00 N ATOM 678 CA THR A 46 14.323 -30.341 -4.966 1.00 0.00 C ATOM 679 C THR A 46 15.568 -30.995 -4.377 1.00 0.00 C ATOM 680 O THR A 46 16.494 -31.354 -5.103 1.00 0.00 O ATOM 681 CB THR A 46 13.112 -31.264 -4.731 1.00 0.00 C ATOM 682 OG1 THR A 46 12.859 -31.392 -3.327 1.00 0.00 O ATOM 683 CG2 THR A 46 13.354 -32.639 -5.335 1.00 0.00 C ATOM 0 H THR A 46 14.432 -30.864 -6.993 1.00 0.00 H new ATOM 0 HA THR A 46 14.147 -29.388 -4.467 1.00 0.00 H new ATOM 0 HB THR A 46 12.244 -30.819 -5.217 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.087 -31.979 -3.186 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.485 -33.273 -5.156 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.517 -32.541 -6.408 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.233 -33.089 -4.874 1.00 0.00 H new ATOM 691 N ASN A 47 15.582 -31.148 -3.057 1.00 0.00 N ATOM 692 CA ASN A 47 16.714 -31.760 -2.371 1.00 0.00 C ATOM 693 C ASN A 47 17.069 -33.104 -2.999 1.00 0.00 C ATOM 694 O ASN A 47 18.241 -33.474 -3.078 1.00 0.00 O ATOM 695 CB ASN A 47 16.397 -31.946 -0.886 1.00 0.00 C ATOM 696 CG ASN A 47 15.754 -30.717 -0.273 1.00 0.00 C ATOM 697 OD1 ASN A 47 14.654 -30.786 0.274 1.00 0.00 O ATOM 698 ND2 ASN A 47 16.440 -29.584 -0.364 1.00 0.00 N ATOM 0 H ASN A 47 14.823 -30.857 -2.441 1.00 0.00 H new ATOM 0 HA ASN A 47 17.571 -31.094 -2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.731 -32.800 -0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.316 -32.179 -0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.058 -28.724 0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.349 -29.574 -0.827 1.00 0.00 H new ATOM 705 N ASP A 48 16.050 -33.831 -3.445 1.00 0.00 N ATOM 706 CA ASP A 48 16.254 -35.133 -4.067 1.00 0.00 C ATOM 707 C ASP A 48 16.998 -34.992 -5.391 1.00 0.00 C ATOM 708 O ASP A 48 17.869 -35.800 -5.714 1.00 0.00 O ATOM 709 CB ASP A 48 14.911 -35.829 -4.295 1.00 0.00 C ATOM 710 CG ASP A 48 13.943 -35.610 -3.149 1.00 0.00 C ATOM 711 OD1 ASP A 48 14.379 -35.689 -1.981 1.00 0.00 O ATOM 712 OD2 ASP A 48 12.751 -35.359 -3.419 1.00 0.00 O ATOM 0 H ASP A 48 15.074 -33.540 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 48 16.859 -35.739 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.466 -35.459 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.077 -36.898 -4.427 1.00 0.00 H new ATOM 717 N ASP A 49 16.649 -33.962 -6.153 1.00 0.00 N ATOM 718 CA ASP A 49 17.284 -33.714 -7.443 1.00 0.00 C ATOM 719 C ASP A 49 18.797 -33.587 -7.288 1.00 0.00 C ATOM 720 O ASP A 49 19.556 -33.960 -8.182 1.00 0.00 O ATOM 721 CB ASP A 49 16.716 -32.446 -8.080 1.00 0.00 C ATOM 722 CG ASP A 49 15.258 -32.596 -8.469 1.00 0.00 C ATOM 723 OD1 ASP A 49 14.660 -33.640 -8.134 1.00 0.00 O ATOM 724 OD2 ASP A 49 14.716 -31.671 -9.110 1.00 0.00 O ATOM 0 H ASP A 49 15.930 -33.285 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 49 17.073 -34.563 -8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.819 -31.615 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.301 -32.194 -8.965 1.00 0.00 H new ATOM 729 N VAL A 50 19.227 -33.057 -6.147 1.00 0.00 N ATOM 730 CA VAL A 50 20.649 -32.880 -5.875 1.00 0.00 C ATOM 731 C VAL A 50 21.371 -34.222 -5.835 1.00 0.00 C ATOM 732 O VAL A 50 22.584 -34.293 -6.034 1.00 0.00 O ATOM 733 CB VAL A 50 20.877 -32.146 -4.541 1.00 0.00 C ATOM 734 CG1 VAL A 50 22.365 -32.007 -4.256 1.00 0.00 C ATOM 735 CG2 VAL A 50 20.200 -30.784 -4.559 1.00 0.00 C ATOM 0 H VAL A 50 18.612 -32.743 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 50 21.055 -32.277 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 50 20.431 -32.737 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.507 -31.486 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.818 -32.997 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.837 -31.439 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.372 -30.280 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.614 -30.183 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.129 -30.912 -4.713 1.00 0.00 H new ATOM 745 N LYS A 51 20.618 -35.286 -5.577 1.00 0.00 N ATOM 746 CA LYS A 51 21.185 -36.628 -5.512 1.00 0.00 C ATOM 747 C LYS A 51 21.105 -37.318 -6.870 1.00 0.00 C ATOM 748 O LYS A 51 21.850 -38.260 -7.142 1.00 0.00 O ATOM 749 CB LYS A 51 20.453 -37.463 -4.459 1.00 0.00 C ATOM 750 CG LYS A 51 20.308 -36.761 -3.120 1.00 0.00 C ATOM 751 CD LYS A 51 19.615 -37.647 -2.099 1.00 0.00 C ATOM 752 CE LYS A 51 20.416 -38.910 -1.822 1.00 0.00 C ATOM 753 NZ LYS A 51 19.662 -40.138 -2.196 1.00 0.00 N ATOM 0 H LYS A 51 19.613 -35.245 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 51 22.234 -36.539 -5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.462 -37.719 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.990 -38.400 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.293 -36.477 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.739 -35.840 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.475 -37.093 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.623 -37.916 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.353 -38.875 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.675 -38.951 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.242 -40.977 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.780 -40.185 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.437 -40.111 -3.211 1.00 0.00 H new ATOM 767 N ARG A 52 20.198 -36.844 -7.718 1.00 0.00 N ATOM 768 CA ARG A 52 20.022 -37.416 -9.047 1.00 0.00 C ATOM 769 C ARG A 52 21.009 -36.805 -10.037 1.00 0.00 C ATOM 770 O ARG A 52 21.511 -37.489 -10.930 1.00 0.00 O ATOM 771 CB ARG A 52 18.589 -37.193 -9.535 1.00 0.00 C ATOM 772 CG ARG A 52 18.326 -37.749 -10.925 1.00 0.00 C ATOM 773 CD ARG A 52 16.839 -37.948 -11.173 1.00 0.00 C ATOM 774 NE ARG A 52 16.559 -39.224 -11.827 1.00 0.00 N ATOM 775 CZ ARG A 52 15.354 -39.580 -12.258 1.00 0.00 C ATOM 776 NH1 ARG A 52 14.323 -38.761 -12.105 1.00 0.00 N ATOM 777 NH2 ARG A 52 15.180 -40.758 -12.843 1.00 0.00 N ATOM 0 H ARG A 52 19.574 -36.065 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 52 20.215 -38.487 -8.983 1.00 0.00 H new ATOM 0 HB2 ARG A 52 17.898 -37.656 -8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.376 -36.124 -9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.733 -37.069 -11.673 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.846 -38.700 -11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.304 -37.902 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.462 -37.133 -11.792 1.00 0.00 H new ATOM 0 HE ARG A 52 17.331 -39.877 -11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.454 -37.855 -11.655 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.399 -39.037 -12.437 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.972 -41.390 -12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.255 -41.031 -13.174 1.00 0.00 H new ATOM 791 N ILE A 53 21.281 -35.515 -9.873 1.00 0.00 N ATOM 792 CA ILE A 53 22.208 -34.813 -10.753 1.00 0.00 C ATOM 793 C ILE A 53 23.535 -35.557 -10.859 1.00 0.00 C ATOM 794 O ILE A 53 24.169 -35.569 -11.914 1.00 0.00 O ATOM 795 CB ILE A 53 22.475 -33.379 -10.259 1.00 0.00 C ATOM 796 CG1 ILE A 53 22.849 -33.388 -8.776 1.00 0.00 C ATOM 797 CG2 ILE A 53 21.256 -32.501 -10.498 1.00 0.00 C ATOM 798 CD1 ILE A 53 23.180 -32.017 -8.228 1.00 0.00 C ATOM 0 H ILE A 53 20.873 -34.935 -9.140 1.00 0.00 H new ATOM 0 HA ILE A 53 21.739 -34.769 -11.736 1.00 0.00 H new ATOM 0 HB ILE A 53 23.312 -32.967 -10.823 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.023 -33.809 -8.204 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.706 -34.046 -8.630 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.460 -31.491 -10.144 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.031 -32.473 -11.564 1.00 0.00 H new ATOM 0 HG23 ILE A 53 20.402 -32.909 -9.958 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.436 -32.099 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.026 -31.601 -8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.317 -31.361 -8.342 1.00 0.00 H new ATOM 810 N GLY A 54 23.949 -36.179 -9.759 1.00 0.00 N ATOM 811 CA GLY A 54 25.197 -36.919 -9.751 1.00 0.00 C ATOM 812 C GLY A 54 25.793 -37.034 -8.361 1.00 0.00 C ATOM 813 O GLY A 54 26.407 -38.047 -8.023 1.00 0.00 O ATOM 0 H GLY A 54 23.442 -36.183 -8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 54 25.027 -37.917 -10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 54 25.912 -36.427 -10.410 1.00 0.00 H new ATOM 817 N VAL A 55 25.614 -35.994 -7.554 1.00 0.00 N ATOM 818 CA VAL A 55 26.139 -35.983 -6.194 1.00 0.00 C ATOM 819 C VAL A 55 25.596 -37.156 -5.385 1.00 0.00 C ATOM 820 O VAL A 55 24.383 -37.320 -5.248 1.00 0.00 O ATOM 821 CB VAL A 55 25.791 -34.669 -5.469 1.00 0.00 C ATOM 822 CG1 VAL A 55 26.509 -34.591 -4.130 1.00 0.00 C ATOM 823 CG2 VAL A 55 26.138 -33.472 -6.341 1.00 0.00 C ATOM 0 H VAL A 55 25.109 -35.148 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 55 27.223 -36.071 -6.273 1.00 0.00 H new ATOM 0 HB VAL A 55 24.718 -34.652 -5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 55 26.251 -33.656 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 55 26.205 -35.431 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 55 27.586 -34.630 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 55 25.886 -32.552 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 55 27.205 -33.481 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 55 25.572 -33.523 -7.271 1.00 0.00 H new ATOM 833 N ARG A 56 26.501 -37.969 -4.852 1.00 0.00 N ATOM 834 CA ARG A 56 26.113 -39.128 -4.057 1.00 0.00 C ATOM 835 C ARG A 56 26.640 -39.009 -2.630 1.00 0.00 C ATOM 836 O ARG A 56 26.192 -39.721 -1.730 1.00 0.00 O ATOM 837 CB ARG A 56 26.638 -40.413 -4.700 1.00 0.00 C ATOM 838 CG ARG A 56 28.130 -40.625 -4.509 1.00 0.00 C ATOM 839 CD ARG A 56 28.413 -41.822 -3.614 1.00 0.00 C ATOM 840 NE ARG A 56 29.705 -41.711 -2.943 1.00 0.00 N ATOM 841 CZ ARG A 56 30.870 -41.888 -3.556 1.00 0.00 C ATOM 842 NH1 ARG A 56 30.904 -42.183 -4.848 1.00 0.00 N ATOM 843 NH2 ARG A 56 32.003 -41.770 -2.877 1.00 0.00 N ATOM 0 H ARG A 56 27.508 -37.847 -4.956 1.00 0.00 H new ATOM 0 HA ARG A 56 25.024 -39.166 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 56 26.102 -41.264 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 56 26.416 -40.392 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 56 28.604 -40.774 -5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 56 28.573 -39.730 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 56 27.624 -41.911 -2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 56 28.392 -42.734 -4.211 1.00 0.00 H new ATOM 0 HE ARG A 56 29.713 -41.485 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 56 30.034 -42.274 -5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 56 31.800 -42.318 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 56 31.980 -41.543 -1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 56 32.897 -41.906 -3.349 1.00 0.00 H new ATOM 857 N LEU A 57 27.594 -38.107 -2.430 1.00 0.00 N ATOM 858 CA LEU A 57 28.183 -37.895 -1.112 1.00 0.00 C ATOM 859 C LEU A 57 27.265 -37.051 -0.234 1.00 0.00 C ATOM 860 O LEU A 57 26.443 -36.273 -0.720 1.00 0.00 O ATOM 861 CB LEU A 57 29.547 -37.215 -1.245 1.00 0.00 C ATOM 862 CG LEU A 57 30.715 -38.123 -1.629 1.00 0.00 C ATOM 863 CD1 LEU A 57 31.950 -37.296 -1.954 1.00 0.00 C ATOM 864 CD2 LEU A 57 31.013 -39.112 -0.510 1.00 0.00 C ATOM 0 H LEU A 57 27.977 -37.510 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 57 28.313 -38.868 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 57 29.466 -36.426 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.784 -36.733 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 57 30.435 -38.686 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 57 32.771 -37.960 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 57 31.732 -36.629 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 57 32.233 -36.706 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 57 31.847 -39.750 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 57 31.272 -38.567 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 57 30.133 -39.728 -0.325 1.00 0.00 H new ATOM 876 N PRO A 58 27.406 -37.205 1.091 1.00 0.00 N ATOM 877 CA PRO A 58 26.599 -36.464 2.064 1.00 0.00 C ATOM 878 C PRO A 58 26.952 -34.981 2.101 1.00 0.00 C ATOM 879 O PRO A 58 26.074 -34.122 2.042 1.00 0.00 O ATOM 880 CB PRO A 58 26.951 -37.130 3.397 1.00 0.00 C ATOM 881 CG PRO A 58 28.309 -37.706 3.186 1.00 0.00 C ATOM 882 CD PRO A 58 28.365 -38.115 1.740 1.00 0.00 C ATOM 0 HA PRO A 58 25.537 -36.497 1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 58 26.950 -36.407 4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 58 26.229 -37.904 3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 58 29.083 -36.974 3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 58 28.476 -38.562 3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 58 29.368 -38.002 1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 58 28.082 -39.159 1.606 1.00 0.00 H new ATOM 890 N GLY A 59 28.246 -34.687 2.198 1.00 0.00 N ATOM 891 CA GLY A 59 28.692 -33.307 2.239 1.00 0.00 C ATOM 892 C GLY A 59 28.359 -32.551 0.968 1.00 0.00 C ATOM 893 O GLY A 59 27.716 -31.502 1.012 1.00 0.00 O ATOM 0 H GLY A 59 28.992 -35.380 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 59 28.230 -32.804 3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 59 29.770 -33.282 2.401 1.00 0.00 H new ATOM 897 N HIS A 60 28.798 -33.084 -0.167 1.00 0.00 N ATOM 898 CA HIS A 60 28.544 -32.452 -1.457 1.00 0.00 C ATOM 899 C HIS A 60 27.059 -32.146 -1.629 1.00 0.00 C ATOM 900 O HIS A 60 26.688 -31.192 -2.312 1.00 0.00 O ATOM 901 CB HIS A 60 29.025 -33.353 -2.594 1.00 0.00 C ATOM 902 CG HIS A 60 30.507 -33.574 -2.598 1.00 0.00 C ATOM 903 ND1 HIS A 60 31.166 -34.242 -3.607 1.00 0.00 N ATOM 904 CD2 HIS A 60 31.458 -33.208 -1.707 1.00 0.00 C ATOM 905 CE1 HIS A 60 32.458 -34.280 -3.337 1.00 0.00 C ATOM 906 NE2 HIS A 60 32.662 -33.659 -2.189 1.00 0.00 N ATOM 0 H HIS A 60 29.331 -33.952 -0.220 1.00 0.00 H new ATOM 0 HA HIS A 60 29.097 -31.513 -1.489 1.00 0.00 H new ATOM 0 HB2 HIS A 60 28.522 -34.317 -2.520 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.729 -32.912 -3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.299 -32.663 -0.788 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.218 -34.740 -3.950 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.567 -33.535 -1.735 1.00 0.00 H new ATOM 914 N GLN A 61 26.216 -32.961 -1.004 1.00 0.00 N ATOM 915 CA GLN A 61 24.772 -32.778 -1.090 1.00 0.00 C ATOM 916 C GLN A 61 24.330 -31.555 -0.292 1.00 0.00 C ATOM 917 O GLN A 61 23.763 -30.612 -0.843 1.00 0.00 O ATOM 918 CB GLN A 61 24.047 -34.024 -0.579 1.00 0.00 C ATOM 919 CG GLN A 61 23.802 -35.069 -1.655 1.00 0.00 C ATOM 920 CD GLN A 61 23.166 -36.332 -1.108 1.00 0.00 C ATOM 921 OE1 GLN A 61 22.516 -36.311 -0.062 1.00 0.00 O ATOM 922 NE2 GLN A 61 23.351 -37.442 -1.814 1.00 0.00 N ATOM 0 H GLN A 61 26.508 -33.754 -0.433 1.00 0.00 H new ATOM 0 HA GLN A 61 24.513 -32.620 -2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 61 24.633 -34.472 0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 61 23.091 -33.727 -0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.158 -34.647 -2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 61 24.748 -35.321 -2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.897 -37.414 -2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 61 22.947 -38.323 -1.495 1.00 0.00 H new ATOM 931 N LYS A 62 24.593 -31.578 1.010 1.00 0.00 N ATOM 932 CA LYS A 62 24.224 -30.472 1.886 1.00 0.00 C ATOM 933 C LYS A 62 24.864 -29.169 1.416 1.00 0.00 C ATOM 934 O LYS A 62 24.245 -28.107 1.471 1.00 0.00 O ATOM 935 CB LYS A 62 24.648 -30.770 3.325 1.00 0.00 C ATOM 936 CG LYS A 62 23.579 -31.476 4.140 1.00 0.00 C ATOM 937 CD LYS A 62 23.717 -31.174 5.623 1.00 0.00 C ATOM 938 CE LYS A 62 22.879 -32.123 6.466 1.00 0.00 C ATOM 939 NZ LYS A 62 23.722 -33.119 7.184 1.00 0.00 N ATOM 0 H LYS A 62 25.061 -32.351 1.483 1.00 0.00 H new ATOM 0 HA LYS A 62 23.141 -30.359 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.547 -31.386 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 62 24.911 -29.834 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 62 22.593 -31.165 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.649 -32.552 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 62 24.764 -31.254 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 62 23.410 -30.146 5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.299 -31.550 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 62 22.167 -32.644 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 23.114 -33.747 7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 24.257 -33.683 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 24.385 -32.623 7.814 1.00 0.00 H new ATOM 953 N ARG A 63 26.107 -29.259 0.953 1.00 0.00 N ATOM 954 CA ARG A 63 26.830 -28.088 0.473 1.00 0.00 C ATOM 955 C ARG A 63 26.021 -27.345 -0.586 1.00 0.00 C ATOM 956 O ARG A 63 26.079 -26.119 -0.679 1.00 0.00 O ATOM 957 CB ARG A 63 28.186 -28.500 -0.103 1.00 0.00 C ATOM 958 CG ARG A 63 29.176 -27.351 -0.212 1.00 0.00 C ATOM 959 CD ARG A 63 30.612 -27.840 -0.104 1.00 0.00 C ATOM 960 NE ARG A 63 31.429 -26.960 0.727 1.00 0.00 N ATOM 961 CZ ARG A 63 31.367 -26.937 2.054 1.00 0.00 C ATOM 962 NH1 ARG A 63 30.531 -27.741 2.696 1.00 0.00 N ATOM 963 NH2 ARG A 63 32.143 -26.108 2.741 1.00 0.00 N ATOM 0 H ARG A 63 26.634 -30.131 0.900 1.00 0.00 H new ATOM 0 HA ARG A 63 26.990 -27.419 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 63 28.616 -29.281 0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 63 28.035 -28.933 -1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 63 29.036 -26.838 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 63 28.978 -26.623 0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 63 30.622 -28.846 0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.048 -27.906 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 63 32.083 -26.329 0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 63 29.933 -28.379 2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 63 30.486 -27.721 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 63 32.787 -25.488 2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 63 32.095 -26.091 3.760 1.00 0.00 H new ATOM 977 N ILE A 64 25.268 -28.096 -1.382 1.00 0.00 N ATOM 978 CA ILE A 64 24.447 -27.509 -2.434 1.00 0.00 C ATOM 979 C ILE A 64 23.045 -27.191 -1.924 1.00 0.00 C ATOM 980 O ILE A 64 22.530 -26.094 -2.137 1.00 0.00 O ATOM 981 CB ILE A 64 24.337 -28.446 -3.652 1.00 0.00 C ATOM 982 CG1 ILE A 64 25.728 -28.756 -4.211 1.00 0.00 C ATOM 983 CG2 ILE A 64 23.457 -27.820 -4.724 1.00 0.00 C ATOM 984 CD1 ILE A 64 25.706 -29.688 -5.402 1.00 0.00 C ATOM 0 H ILE A 64 25.209 -29.112 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 64 24.939 -26.585 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 64 23.877 -29.381 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 64 26.211 -27.822 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 64 26.337 -29.200 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 64 23.389 -28.494 -5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 64 22.460 -27.645 -4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 64 23.891 -26.872 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 64 26.725 -29.864 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 64 25.252 -30.636 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 64 25.125 -29.237 -6.206 1.00 0.00 H new ATOM 996 N ALA A 65 22.434 -28.158 -1.248 1.00 0.00 N ATOM 997 CA ALA A 65 21.093 -27.980 -0.704 1.00 0.00 C ATOM 998 C ALA A 65 21.016 -26.733 0.169 1.00 0.00 C ATOM 999 O ALA A 65 20.057 -25.965 0.089 1.00 0.00 O ATOM 1000 CB ALA A 65 20.679 -29.210 0.091 1.00 0.00 C ATOM 0 H ALA A 65 22.846 -29.073 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 65 20.403 -27.851 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.676 -29.064 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.686 -30.084 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.379 -29.365 0.912 1.00 0.00 H new ATOM 1006 N TYR A 66 22.032 -26.536 1.003 1.00 0.00 N ATOM 1007 CA TYR A 66 22.077 -25.383 1.893 1.00 0.00 C ATOM 1008 C TYR A 66 22.177 -24.084 1.099 1.00 0.00 C ATOM 1009 O TYR A 66 21.698 -23.038 1.536 1.00 0.00 O ATOM 1010 CB TYR A 66 23.264 -25.499 2.852 1.00 0.00 C ATOM 1011 CG TYR A 66 23.130 -24.638 4.088 1.00 0.00 C ATOM 1012 CD1 TYR A 66 21.958 -24.638 4.835 1.00 0.00 C ATOM 1013 CD2 TYR A 66 24.176 -23.826 4.509 1.00 0.00 C ATOM 1014 CE1 TYR A 66 21.832 -23.852 5.964 1.00 0.00 C ATOM 1015 CE2 TYR A 66 24.059 -23.039 5.638 1.00 0.00 C ATOM 1016 CZ TYR A 66 22.884 -23.055 6.362 1.00 0.00 C ATOM 1017 OH TYR A 66 22.763 -22.272 7.487 1.00 0.00 O ATOM 0 H TYR A 66 22.835 -27.160 1.081 1.00 0.00 H new ATOM 0 HA TYR A 66 21.152 -25.365 2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 66 23.375 -26.540 3.155 1.00 0.00 H new ATOM 0 HB3 TYR A 66 24.176 -25.222 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 66 21.132 -25.263 4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 66 25.096 -23.810 3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 66 20.914 -23.862 6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 66 24.882 -22.415 5.952 1.00 0.00 H new ATOM 0 HH TYR A 66 23.594 -21.773 7.629 1.00 0.00 H new ATOM 1027 N SER A 67 22.802 -24.161 -0.072 1.00 0.00 N ATOM 1028 CA SER A 67 22.968 -22.992 -0.928 1.00 0.00 C ATOM 1029 C SER A 67 21.679 -22.685 -1.684 1.00 0.00 C ATOM 1030 O SER A 67 21.423 -21.540 -2.059 1.00 0.00 O ATOM 1031 CB SER A 67 24.112 -23.217 -1.918 1.00 0.00 C ATOM 1032 OG SER A 67 24.854 -22.027 -2.119 1.00 0.00 O ATOM 0 H SER A 67 23.202 -25.020 -0.449 1.00 0.00 H new ATOM 0 HA SER A 67 23.209 -22.139 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.771 -24.001 -1.545 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.710 -23.564 -2.870 1.00 0.00 H new ATOM 0 HG SER A 67 25.580 -22.198 -2.755 1.00 0.00 H new ATOM 1038 N LEU A 68 20.871 -23.716 -1.905 1.00 0.00 N ATOM 1039 CA LEU A 68 19.607 -23.558 -2.617 1.00 0.00 C ATOM 1040 C LEU A 68 18.639 -22.687 -1.822 1.00 0.00 C ATOM 1041 O LEU A 68 17.875 -21.909 -2.394 1.00 0.00 O ATOM 1042 CB LEU A 68 18.976 -24.926 -2.886 1.00 0.00 C ATOM 1043 CG LEU A 68 19.532 -25.697 -4.083 1.00 0.00 C ATOM 1044 CD1 LEU A 68 18.852 -27.052 -4.207 1.00 0.00 C ATOM 1045 CD2 LEU A 68 19.359 -24.892 -5.363 1.00 0.00 C ATOM 0 H LEU A 68 21.068 -24.670 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 68 19.813 -23.066 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 68 19.097 -25.541 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 68 17.905 -24.787 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 68 20.597 -25.861 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.260 -27.587 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 68 19.028 -27.631 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.780 -26.910 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.760 -25.456 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.300 -24.696 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.893 -23.946 -5.273 1.00 0.00 H new ATOM 1057 N LEU A 69 18.679 -22.821 -0.501 1.00 0.00 N ATOM 1058 CA LEU A 69 17.808 -22.044 0.373 1.00 0.00 C ATOM 1059 C LEU A 69 17.908 -20.555 0.058 1.00 0.00 C ATOM 1060 O LEU A 69 16.897 -19.859 -0.028 1.00 0.00 O ATOM 1061 CB LEU A 69 18.170 -22.292 1.839 1.00 0.00 C ATOM 1062 CG LEU A 69 18.319 -23.756 2.254 1.00 0.00 C ATOM 1063 CD1 LEU A 69 18.570 -23.863 3.750 1.00 0.00 C ATOM 1064 CD2 LEU A 69 17.083 -24.551 1.861 1.00 0.00 C ATOM 0 H LEU A 69 19.305 -23.460 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 69 16.781 -22.365 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.106 -21.777 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.404 -21.834 2.464 1.00 0.00 H new ATOM 0 HG LEU A 69 19.178 -24.176 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.673 -24.912 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.485 -23.328 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.732 -23.425 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.207 -25.591 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.208 -24.131 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.947 -24.502 0.781 1.00 0.00 H new ATOM 1076 N GLY A 70 19.135 -20.073 -0.115 1.00 0.00 N ATOM 1077 CA GLY A 70 19.344 -18.670 -0.421 1.00 0.00 C ATOM 1078 C GLY A 70 18.806 -18.287 -1.785 1.00 0.00 C ATOM 1079 O GLY A 70 18.381 -17.150 -1.997 1.00 0.00 O ATOM 0 H GLY A 70 19.988 -20.629 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.860 -18.059 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.410 -18.447 -0.379 1.00 0.00 H new ATOM 1083 N LEU A 71 18.825 -19.237 -2.714 1.00 0.00 N ATOM 1084 CA LEU A 71 18.336 -18.993 -4.067 1.00 0.00 C ATOM 1085 C LEU A 71 16.835 -18.725 -4.064 1.00 0.00 C ATOM 1086 O LEU A 71 16.382 -17.661 -4.487 1.00 0.00 O ATOM 1087 CB LEU A 71 18.650 -20.190 -4.967 1.00 0.00 C ATOM 1088 CG LEU A 71 20.133 -20.494 -5.185 1.00 0.00 C ATOM 1089 CD1 LEU A 71 20.301 -21.700 -6.097 1.00 0.00 C ATOM 1090 CD2 LEU A 71 20.847 -19.282 -5.764 1.00 0.00 C ATOM 0 H LEU A 71 19.173 -20.182 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 71 18.843 -18.110 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.177 -21.074 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.188 -20.019 -5.939 1.00 0.00 H new ATOM 0 HG LEU A 71 20.582 -20.728 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 71 21.362 -21.902 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.825 -22.569 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.836 -21.494 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 71 21.901 -19.517 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.396 -19.017 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.756 -18.442 -5.075 1.00 0.00 H new ATOM 1102 N LYS A 72 16.067 -19.696 -3.582 1.00 0.00 N ATOM 1103 CA LYS A 72 14.616 -19.565 -3.519 1.00 0.00 C ATOM 1104 C LYS A 72 14.215 -18.351 -2.687 1.00 0.00 C ATOM 1105 O LYS A 72 13.146 -17.774 -2.889 1.00 0.00 O ATOM 1106 CB LYS A 72 13.994 -20.831 -2.926 1.00 0.00 C ATOM 1107 CG LYS A 72 14.397 -22.104 -3.651 1.00 0.00 C ATOM 1108 CD LYS A 72 14.146 -23.335 -2.797 1.00 0.00 C ATOM 1109 CE LYS A 72 15.332 -24.287 -2.829 1.00 0.00 C ATOM 1110 NZ LYS A 72 14.900 -25.707 -2.953 1.00 0.00 N ATOM 0 H LYS A 72 16.426 -20.583 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 72 14.244 -19.427 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.284 -20.912 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.908 -20.738 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.837 -22.186 -4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.453 -22.054 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.949 -23.032 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.254 -23.851 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.981 -24.030 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.921 -24.165 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.737 -26.324 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.301 -25.960 -2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.360 -25.830 -3.833 1.00 0.00 H new