USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 876 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 7 THR OG1 : rot 126:sc= 1.65 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.771 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0879 (180deg=-0.251) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.989 (180deg=0.958) USER MOD Single : A 2 GLN : amide:sc= 0.0292 X(o=0.029,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00039) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.15) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0761 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 25 ASN : amide:sc= 0.145 X(o=0.15,f=-0.0084) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 2.17 (180deg=1.66) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.918 (180deg=0.894) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0.775 (180deg=0.754) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 41 GLN : amide:sc= 1.21 K(o=1.2,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1 K(o=1,f=-5.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0917 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.0558 USER MOD Single : A 60 ASN : amide:sc= 0.789 K(o=0.79,f=-0.25) USER MOD Single : A 62 GLN : amide:sc= 0.647 K(o=0.65,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 57:sc= 1.02 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0427 X(o=-0.043,f=-0.3) USER MOD Single : B 678 THR OG1 : rot 180:sc= 0 USER MOD Single : B 681 SER OG : rot 180:sc= 0.002 USER MOD Single : B 686 GLN : amide:sc= 1.46 K(o=1.5,f=-0.63) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc=-0.00643 X(o=-0.0064,f=-0.22) USER MOD Single : B 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 706 THR OG1 : rot -88:sc= 0.93 USER MOD Single : B 708 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.582 1.643 0.319 1.00 0.00 N ATOM 2 CA MET A 1 2.376 1.580 -0.951 1.00 0.00 C ATOM 3 C MET A 1 2.094 2.792 -1.840 1.00 0.00 C ATOM 4 O MET A 1 1.178 3.542 -1.547 1.00 0.00 O ATOM 5 CB MET A 1 2.165 0.260 -1.743 1.00 0.00 C ATOM 6 CG MET A 1 0.796 0.052 -2.417 1.00 0.00 C ATOM 7 SD MET A 1 0.641 -1.579 -3.186 1.00 0.00 S ATOM 8 CE MET A 1 -0.593 -1.269 -4.480 1.00 0.00 C ATOM 0 H1 MET A 1 1.715 0.762 0.855 1.00 0.00 H new ATOM 0 H2 MET A 1 1.906 2.449 0.891 1.00 0.00 H new ATOM 0 H3 MET A 1 0.574 1.762 0.093 1.00 0.00 H new ATOM 0 HA MET A 1 3.424 1.599 -0.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.933 0.203 -2.514 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.336 -0.573 -1.061 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.007 0.177 -1.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.647 0.822 -3.174 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.953 -2.219 -4.875 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.429 -0.711 -4.059 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.139 -0.691 -5.285 1.00 0.00 H new ATOM 20 N GLN A 2 2.789 2.952 -2.974 1.00 0.00 N ATOM 21 CA GLN A 2 2.486 3.990 -3.961 1.00 0.00 C ATOM 22 C GLN A 2 2.426 3.402 -5.348 1.00 0.00 C ATOM 23 O GLN A 2 3.099 2.401 -5.599 1.00 0.00 O ATOM 24 CB GLN A 2 3.494 5.165 -3.866 1.00 0.00 C ATOM 25 CG GLN A 2 4.788 5.111 -4.703 1.00 0.00 C ATOM 26 CD GLN A 2 5.811 4.187 -4.062 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.693 4.586 -3.311 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.645 2.907 -4.332 1.00 0.00 N ATOM 0 H GLN A 2 3.580 2.361 -3.231 1.00 0.00 H new ATOM 0 HA GLN A 2 1.501 4.401 -3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.963 6.077 -4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.783 5.267 -2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.560 4.764 -5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.206 6.113 -4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.900 2.611 -4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.262 2.213 -3.911 1.00 0.00 H new ATOM 37 N ILE A 3 1.726 4.072 -6.251 1.00 0.00 N ATOM 38 CA ILE A 3 1.660 3.698 -7.662 1.00 0.00 C ATOM 39 C ILE A 3 1.724 4.969 -8.498 1.00 0.00 C ATOM 40 O ILE A 3 1.388 6.049 -8.018 1.00 0.00 O ATOM 41 CB ILE A 3 0.403 2.851 -7.946 1.00 0.00 C ATOM 42 CG1 ILE A 3 -0.864 3.446 -7.304 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.604 1.421 -7.401 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.091 3.338 -8.201 1.00 0.00 C ATOM 0 H ILE A 3 1.179 4.903 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 3 2.507 3.068 -7.933 1.00 0.00 H new ATOM 0 HB ILE A 3 0.264 2.841 -9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.063 2.934 -6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.686 4.495 -7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.286 0.826 -7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.465 0.964 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.776 1.462 -6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.952 3.774 -7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.909 3.874 -9.133 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.291 2.289 -8.419 1.00 0.00 H new ATOM 56 N PHE A 4 2.189 4.823 -9.731 1.00 0.00 N ATOM 57 CA PHE A 4 2.541 5.898 -10.641 1.00 0.00 C ATOM 58 C PHE A 4 1.500 5.969 -11.741 1.00 0.00 C ATOM 59 O PHE A 4 1.527 5.200 -12.691 1.00 0.00 O ATOM 60 CB PHE A 4 3.950 5.647 -11.205 1.00 0.00 C ATOM 61 CG PHE A 4 4.969 5.054 -10.259 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.257 5.726 -9.065 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.650 3.865 -10.566 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.194 5.214 -8.159 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.626 3.381 -9.682 1.00 0.00 C ATOM 66 CZ PHE A 4 6.903 4.048 -8.480 1.00 0.00 C ATOM 0 H PHE A 4 2.338 3.902 -10.143 1.00 0.00 H new ATOM 0 HA PHE A 4 2.556 6.856 -10.121 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.858 4.983 -12.065 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.341 6.595 -11.575 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.749 6.652 -8.840 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.424 3.328 -11.475 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.369 5.715 -7.218 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.171 2.483 -9.931 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.657 3.666 -7.807 1.00 0.00 H new ATOM 76 N VAL A 5 0.538 6.864 -11.628 1.00 0.00 N ATOM 77 CA VAL A 5 -0.488 6.991 -12.663 1.00 0.00 C ATOM 78 C VAL A 5 0.085 7.918 -13.720 1.00 0.00 C ATOM 79 O VAL A 5 0.164 9.121 -13.510 1.00 0.00 O ATOM 80 CB VAL A 5 -1.835 7.425 -12.059 1.00 0.00 C ATOM 81 CG1 VAL A 5 -2.947 7.428 -13.125 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.179 6.470 -10.906 1.00 0.00 C ATOM 0 H VAL A 5 0.439 7.509 -10.844 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.728 6.040 -13.139 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.755 8.444 -11.681 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.887 7.739 -12.669 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.684 8.122 -13.923 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.058 6.425 -13.538 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.132 6.761 -10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.252 5.451 -11.287 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.397 6.519 -10.148 1.00 0.00 H new ATOM 92 N LYS A 6 0.544 7.382 -14.847 1.00 0.00 N ATOM 93 CA LYS A 6 0.987 8.204 -15.957 1.00 0.00 C ATOM 94 C LYS A 6 -0.267 8.789 -16.573 1.00 0.00 C ATOM 95 O LYS A 6 -1.161 8.037 -16.959 1.00 0.00 O ATOM 96 CB LYS A 6 1.794 7.346 -16.947 1.00 0.00 C ATOM 97 CG LYS A 6 2.625 8.269 -17.853 1.00 0.00 C ATOM 98 CD LYS A 6 3.325 7.502 -18.987 1.00 0.00 C ATOM 99 CE LYS A 6 4.366 8.323 -19.779 1.00 0.00 C ATOM 100 NZ LYS A 6 5.566 8.711 -18.969 1.00 0.00 N ATOM 0 H LYS A 6 0.617 6.378 -15.011 1.00 0.00 H new ATOM 0 HA LYS A 6 1.652 9.010 -15.646 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.448 6.663 -16.406 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.122 6.734 -17.549 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.976 9.033 -18.281 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.373 8.786 -17.252 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.819 6.627 -18.564 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.568 7.136 -19.681 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.693 7.744 -20.643 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.890 9.225 -20.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.230 9.244 -19.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.267 9.304 -18.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.034 7.855 -18.610 1.00 0.00 H new ATOM 114 N THR A 7 -0.369 10.110 -16.670 1.00 0.00 N ATOM 115 CA THR A 7 -1.445 10.659 -17.458 1.00 0.00 C ATOM 116 C THR A 7 -1.171 10.356 -18.907 1.00 0.00 C ATOM 117 O THR A 7 -0.038 10.100 -19.294 1.00 0.00 O ATOM 118 CB THR A 7 -1.643 12.152 -17.212 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.402 12.791 -17.358 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.199 12.359 -15.815 1.00 0.00 C ATOM 0 H THR A 7 0.254 10.788 -16.231 1.00 0.00 H new ATOM 0 HA THR A 7 -2.384 10.193 -17.158 1.00 0.00 H new ATOM 0 HB THR A 7 -2.350 12.574 -17.927 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.483 13.519 -18.009 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.342 13.424 -15.635 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.155 11.844 -15.724 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.499 11.958 -15.082 1.00 0.00 H new ATOM 128 N LEU A 8 -2.205 10.433 -19.724 1.00 0.00 N ATOM 129 CA LEU A 8 -2.066 10.406 -21.166 1.00 0.00 C ATOM 130 C LEU A 8 -1.213 11.617 -21.619 1.00 0.00 C ATOM 131 O LEU A 8 -0.767 11.573 -22.754 1.00 0.00 O ATOM 132 CB LEU A 8 -3.475 10.409 -21.780 1.00 0.00 C ATOM 133 CG LEU A 8 -4.127 9.152 -22.374 1.00 0.00 C ATOM 134 CD1 LEU A 8 -5.587 9.413 -22.753 1.00 0.00 C ATOM 135 CD2 LEU A 8 -3.484 8.708 -23.682 1.00 0.00 C ATOM 0 H LEU A 8 -3.170 10.516 -19.403 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.549 9.508 -21.505 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.150 10.772 -21.005 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.467 11.158 -22.572 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.011 8.397 -21.596 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.022 8.505 -23.171 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.146 9.708 -21.865 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.634 10.212 -23.493 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.989 7.815 -24.051 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.572 9.506 -24.420 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.431 8.485 -23.512 1.00 0.00 H new ATOM 147 N THR A 9 -0.953 12.692 -20.836 1.00 0.00 N ATOM 148 CA THR A 9 0.045 13.704 -21.229 1.00 0.00 C ATOM 149 C THR A 9 1.429 13.107 -21.081 1.00 0.00 C ATOM 150 O THR A 9 2.339 13.365 -21.864 1.00 0.00 O ATOM 151 CB THR A 9 0.045 14.967 -20.352 1.00 0.00 C ATOM 152 OG1 THR A 9 -0.798 14.830 -19.232 1.00 0.00 O ATOM 153 CG2 THR A 9 -0.345 16.186 -21.167 1.00 0.00 C ATOM 0 H THR A 9 -1.414 12.875 -19.945 1.00 0.00 H new ATOM 0 HA THR A 9 -0.214 13.987 -22.249 1.00 0.00 H new ATOM 0 HB THR A 9 1.061 15.104 -19.981 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.770 15.652 -18.699 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.339 17.069 -20.527 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.367 16.323 -21.981 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.344 16.044 -21.579 1.00 0.00 H new ATOM 161 N GLY A 10 1.563 12.308 -20.029 1.00 0.00 N ATOM 162 CA GLY A 10 2.779 11.656 -19.639 1.00 0.00 C ATOM 163 C GLY A 10 3.273 12.160 -18.297 1.00 0.00 C ATOM 164 O GLY A 10 4.421 11.908 -17.944 1.00 0.00 O ATOM 0 H GLY A 10 0.784 12.096 -19.405 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.616 10.580 -19.587 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.544 11.826 -20.397 1.00 0.00 H new ATOM 168 N LYS A 11 2.423 12.874 -17.549 1.00 0.00 N ATOM 169 CA LYS A 11 2.796 13.370 -16.235 1.00 0.00 C ATOM 170 C LYS A 11 2.475 12.248 -15.290 1.00 0.00 C ATOM 171 O LYS A 11 1.308 11.925 -15.091 1.00 0.00 O ATOM 172 CB LYS A 11 2.044 14.662 -15.910 1.00 0.00 C ATOM 173 CG LYS A 11 2.386 15.161 -14.489 1.00 0.00 C ATOM 174 CD LYS A 11 1.480 14.691 -13.335 1.00 0.00 C ATOM 175 CE LYS A 11 -0.030 14.748 -13.604 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.560 16.129 -13.779 1.00 0.00 N ATOM 0 H LYS A 11 1.475 13.117 -17.838 1.00 0.00 H new ATOM 0 HA LYS A 11 3.850 13.637 -16.167 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.301 15.430 -16.640 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.970 14.492 -15.991 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.407 14.855 -14.261 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.375 16.251 -14.503 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.747 13.664 -13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.697 15.300 -12.457 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.252 14.168 -14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.555 14.270 -12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.600 16.103 -13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.235 16.728 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.216 16.521 -14.679 1.00 0.00 H new ATOM 190 N THR A 12 3.487 11.627 -14.739 1.00 0.00 N ATOM 191 CA THR A 12 3.279 10.540 -13.816 1.00 0.00 C ATOM 192 C THR A 12 2.961 11.132 -12.449 1.00 0.00 C ATOM 193 O THR A 12 3.812 11.751 -11.808 1.00 0.00 O ATOM 194 CB THR A 12 4.492 9.611 -13.867 1.00 0.00 C ATOM 195 OG1 THR A 12 5.048 9.564 -15.172 1.00 0.00 O ATOM 196 CG2 THR A 12 4.021 8.206 -13.536 1.00 0.00 C ATOM 0 H THR A 12 4.465 11.856 -14.914 1.00 0.00 H new ATOM 0 HA THR A 12 2.426 9.914 -14.078 1.00 0.00 H new ATOM 0 HB THR A 12 5.240 9.980 -13.165 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.823 8.964 -15.176 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.869 7.522 -13.566 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.581 8.195 -12.539 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.275 7.891 -14.266 1.00 0.00 H new ATOM 204 N ILE A 13 1.702 10.976 -12.039 1.00 0.00 N ATOM 205 CA ILE A 13 1.231 11.378 -10.730 1.00 0.00 C ATOM 206 C ILE A 13 1.367 10.146 -9.862 1.00 0.00 C ATOM 207 O ILE A 13 0.665 9.156 -10.059 1.00 0.00 O ATOM 208 CB ILE A 13 -0.187 12.005 -10.783 1.00 0.00 C ATOM 209 CG1 ILE A 13 -0.998 11.903 -9.462 1.00 0.00 C ATOM 210 CG2 ILE A 13 -1.081 11.633 -11.972 1.00 0.00 C ATOM 211 CD1 ILE A 13 -2.232 10.980 -9.453 1.00 0.00 C ATOM 0 H ILE A 13 0.976 10.560 -12.622 1.00 0.00 H new ATOM 0 HA ILE A 13 1.819 12.189 -10.300 1.00 0.00 H new ATOM 0 HB ILE A 13 0.092 13.046 -10.943 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.321 11.567 -8.677 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.327 12.906 -9.191 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.040 12.142 -11.879 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.597 11.937 -12.900 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.242 10.555 -11.983 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.699 11.007 -8.469 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.946 11.320 -10.203 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.925 9.959 -9.681 1.00 0.00 H new ATOM 223 N THR A 14 2.285 10.194 -8.916 1.00 0.00 N ATOM 224 CA THR A 14 2.459 9.135 -7.944 1.00 0.00 C ATOM 225 C THR A 14 1.444 9.380 -6.834 1.00 0.00 C ATOM 226 O THR A 14 1.145 10.529 -6.492 1.00 0.00 O ATOM 227 CB THR A 14 3.921 9.137 -7.474 1.00 0.00 C ATOM 228 OG1 THR A 14 4.766 9.107 -8.614 1.00 0.00 O ATOM 229 CG2 THR A 14 4.233 7.921 -6.577 1.00 0.00 C ATOM 0 H THR A 14 2.933 10.973 -8.801 1.00 0.00 H new ATOM 0 HA THR A 14 2.274 8.140 -8.348 1.00 0.00 H new ATOM 0 HB THR A 14 4.093 10.039 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.703 9.110 -8.327 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.277 7.958 -6.265 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.590 7.943 -5.697 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.053 7.002 -7.135 1.00 0.00 H new ATOM 237 N LEU A 15 0.888 8.301 -6.288 1.00 0.00 N ATOM 238 CA LEU A 15 -0.124 8.364 -5.245 1.00 0.00 C ATOM 239 C LEU A 15 0.050 7.189 -4.327 1.00 0.00 C ATOM 240 O LEU A 15 0.497 6.149 -4.789 1.00 0.00 O ATOM 241 CB LEU A 15 -1.518 8.420 -5.891 1.00 0.00 C ATOM 242 CG LEU A 15 -1.978 7.186 -6.682 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.711 6.190 -5.798 1.00 0.00 C ATOM 244 CD2 LEU A 15 -3.006 7.616 -7.712 1.00 0.00 C ATOM 0 H LEU A 15 1.132 7.350 -6.563 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.015 9.267 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.248 8.607 -5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.545 9.279 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.084 6.738 -7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.020 5.332 -6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.049 5.857 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.591 6.666 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.339 6.747 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.860 8.068 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.559 8.342 -8.391 1.00 0.00 H new ATOM 256 N GLU A 16 -0.345 7.321 -3.068 1.00 0.00 N ATOM 257 CA GLU A 16 -0.137 6.301 -2.054 1.00 0.00 C ATOM 258 C GLU A 16 -1.484 5.710 -1.648 1.00 0.00 C ATOM 259 O GLU A 16 -2.440 6.425 -1.343 1.00 0.00 O ATOM 260 CB GLU A 16 0.681 6.845 -0.875 1.00 0.00 C ATOM 261 CG GLU A 16 2.188 6.743 -1.163 1.00 0.00 C ATOM 262 CD GLU A 16 3.021 7.413 -0.058 1.00 0.00 C ATOM 263 OE1 GLU A 16 3.387 6.728 0.930 1.00 0.00 O ATOM 264 OE2 GLU A 16 3.335 8.622 -0.174 1.00 0.00 O ATOM 0 H GLU A 16 -0.825 8.151 -2.720 1.00 0.00 H new ATOM 0 HA GLU A 16 0.462 5.488 -2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.411 7.884 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.440 6.286 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.473 5.694 -1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.409 7.213 -2.121 1.00 0.00 H new ATOM 271 N VAL A 17 -1.533 4.384 -1.741 1.00 0.00 N ATOM 272 CA VAL A 17 -2.696 3.502 -1.641 1.00 0.00 C ATOM 273 C VAL A 17 -2.254 2.150 -1.066 1.00 0.00 C ATOM 274 O VAL A 17 -1.113 1.993 -0.632 1.00 0.00 O ATOM 275 CB VAL A 17 -3.319 3.330 -3.042 1.00 0.00 C ATOM 276 CG1 VAL A 17 -4.096 4.580 -3.447 1.00 0.00 C ATOM 277 CG2 VAL A 17 -2.265 2.989 -4.102 1.00 0.00 C ATOM 0 H VAL A 17 -0.680 3.848 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.446 3.932 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.010 2.489 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.526 4.436 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.895 4.761 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.423 5.437 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.748 2.877 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.528 3.791 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.768 2.057 -3.834 1.00 0.00 H new ATOM 287 N GLU A 18 -3.127 1.151 -1.127 1.00 0.00 N ATOM 288 CA GLU A 18 -2.876 -0.226 -0.700 1.00 0.00 C ATOM 289 C GLU A 18 -3.186 -1.151 -1.879 1.00 0.00 C ATOM 290 O GLU A 18 -3.907 -0.738 -2.782 1.00 0.00 O ATOM 291 CB GLU A 18 -3.779 -0.596 0.490 1.00 0.00 C ATOM 292 CG GLU A 18 -3.770 0.404 1.653 1.00 0.00 C ATOM 293 CD GLU A 18 -2.367 0.699 2.228 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.487 -0.198 2.229 1.00 0.00 O ATOM 295 OE2 GLU A 18 -2.142 1.837 2.706 1.00 0.00 O ATOM 0 H GLU A 18 -4.071 1.281 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.837 -0.330 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.802 -0.701 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.473 -1.571 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.215 1.340 1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.404 0.019 2.452 1.00 0.00 H new ATOM 302 N PRO A 19 -2.723 -2.411 -1.913 1.00 0.00 N ATOM 303 CA PRO A 19 -3.167 -3.355 -2.939 1.00 0.00 C ATOM 304 C PRO A 19 -4.695 -3.549 -2.959 1.00 0.00 C ATOM 305 O PRO A 19 -5.293 -3.815 -4.000 1.00 0.00 O ATOM 306 CB PRO A 19 -2.437 -4.664 -2.635 1.00 0.00 C ATOM 307 CG PRO A 19 -1.282 -4.288 -1.714 1.00 0.00 C ATOM 308 CD PRO A 19 -1.790 -3.041 -0.993 1.00 0.00 C ATOM 0 HA PRO A 19 -2.930 -2.977 -3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.103 -5.381 -2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.072 -5.130 -3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.050 -5.090 -1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.371 -4.083 -2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.280 -3.303 -0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.968 -2.369 -0.746 1.00 0.00 H new ATOM 316 N SER A 20 -5.357 -3.361 -1.822 1.00 0.00 N ATOM 317 CA SER A 20 -6.783 -3.571 -1.620 1.00 0.00 C ATOM 318 C SER A 20 -7.566 -2.295 -1.898 1.00 0.00 C ATOM 319 O SER A 20 -8.781 -2.267 -1.697 1.00 0.00 O ATOM 320 CB SER A 20 -6.983 -4.089 -0.184 1.00 0.00 C ATOM 321 OG SER A 20 -6.142 -3.390 0.735 1.00 0.00 O ATOM 0 H SER A 20 -4.888 -3.042 -0.974 1.00 0.00 H new ATOM 0 HA SER A 20 -7.168 -4.312 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.026 -3.968 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.763 -5.156 -0.145 1.00 0.00 H new ATOM 0 HG SER A 20 -6.288 -3.736 1.640 1.00 0.00 H new ATOM 327 N ASP A 21 -6.902 -1.231 -2.357 1.00 0.00 N ATOM 328 CA ASP A 21 -7.581 -0.001 -2.646 1.00 0.00 C ATOM 329 C ASP A 21 -8.374 -0.197 -3.922 1.00 0.00 C ATOM 330 O ASP A 21 -7.841 -0.693 -4.924 1.00 0.00 O ATOM 331 CB ASP A 21 -6.600 1.167 -2.774 1.00 0.00 C ATOM 332 CG ASP A 21 -6.504 1.972 -1.471 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.541 1.392 -0.364 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.419 3.213 -1.575 1.00 0.00 O ATOM 0 H ASP A 21 -5.897 -1.213 -2.531 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.251 0.253 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.614 0.787 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.918 1.823 -3.584 1.00 0.00 H new ATOM 339 N THR A 22 -9.651 0.170 -3.881 1.00 0.00 N ATOM 340 CA THR A 22 -10.512 0.063 -5.041 1.00 0.00 C ATOM 341 C THR A 22 -10.189 1.147 -6.043 1.00 0.00 C ATOM 342 O THR A 22 -9.789 2.255 -5.675 1.00 0.00 O ATOM 343 CB THR A 22 -12.001 0.127 -4.680 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.198 1.099 -3.666 1.00 0.00 O ATOM 345 CG2 THR A 22 -12.502 -1.234 -4.214 1.00 0.00 C ATOM 0 H THR A 22 -10.109 0.545 -3.050 1.00 0.00 H new ATOM 0 HA THR A 22 -10.321 -0.916 -5.480 1.00 0.00 H new ATOM 0 HB THR A 22 -12.569 0.409 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.149 1.143 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.561 -1.166 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.364 -1.965 -5.011 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.940 -1.547 -3.334 1.00 0.00 H new ATOM 353 N ILE A 23 -10.445 0.834 -7.307 1.00 0.00 N ATOM 354 CA ILE A 23 -10.376 1.772 -8.411 1.00 0.00 C ATOM 355 C ILE A 23 -11.274 2.975 -8.153 1.00 0.00 C ATOM 356 O ILE A 23 -10.843 4.077 -8.456 1.00 0.00 O ATOM 357 CB ILE A 23 -10.725 1.048 -9.718 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.838 -0.182 -9.993 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.687 1.979 -10.943 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.390 -0.149 -9.496 1.00 0.00 C ATOM 0 H ILE A 23 -10.713 -0.107 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.361 2.158 -8.503 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.748 0.704 -9.567 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.324 -1.050 -9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.818 -0.345 -11.071 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.942 1.412 -11.839 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.406 2.787 -10.808 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.686 2.397 -11.051 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.892 -1.081 -9.763 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.866 0.687 -9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.380 -0.029 -8.413 1.00 0.00 H new ATOM 372 N GLU A 24 -12.465 2.818 -7.570 1.00 0.00 N ATOM 373 CA GLU A 24 -13.336 3.949 -7.223 1.00 0.00 C ATOM 374 C GLU A 24 -12.562 4.971 -6.382 1.00 0.00 C ATOM 375 O GLU A 24 -12.504 6.159 -6.694 1.00 0.00 O ATOM 376 CB GLU A 24 -14.564 3.404 -6.469 1.00 0.00 C ATOM 377 CG GLU A 24 -15.476 4.501 -5.906 1.00 0.00 C ATOM 378 CD GLU A 24 -16.760 3.907 -5.295 1.00 0.00 C ATOM 379 OE1 GLU A 24 -16.739 3.514 -4.104 1.00 0.00 O ATOM 380 OE2 GLU A 24 -17.800 3.838 -5.995 1.00 0.00 O ATOM 0 H GLU A 24 -12.854 1.907 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.674 4.462 -8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.143 2.773 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.225 2.769 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.939 5.068 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.739 5.200 -6.700 1.00 0.00 H new ATOM 387 N ASN A 25 -11.907 4.476 -5.332 1.00 0.00 N ATOM 388 CA ASN A 25 -11.163 5.307 -4.396 1.00 0.00 C ATOM 389 C ASN A 25 -9.877 5.848 -5.039 1.00 0.00 C ATOM 390 O ASN A 25 -9.535 7.009 -4.846 1.00 0.00 O ATOM 391 CB ASN A 25 -10.940 4.502 -3.104 1.00 0.00 C ATOM 392 CG ASN A 25 -9.499 4.523 -2.636 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.068 5.406 -1.904 1.00 0.00 O ATOM 394 ND2 ASN A 25 -8.732 3.539 -3.071 1.00 0.00 N ATOM 0 H ASN A 25 -11.880 3.481 -5.109 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.730 6.199 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.578 4.904 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.248 3.469 -3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.750 3.499 -2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.122 2.819 -3.679 1.00 0.00 H new ATOM 401 N VAL A 26 -9.195 5.061 -5.870 1.00 0.00 N ATOM 402 CA VAL A 26 -8.023 5.503 -6.623 1.00 0.00 C ATOM 403 C VAL A 26 -8.423 6.650 -7.550 1.00 0.00 C ATOM 404 O VAL A 26 -7.785 7.696 -7.533 1.00 0.00 O ATOM 405 CB VAL A 26 -7.468 4.293 -7.384 1.00 0.00 C ATOM 406 CG1 VAL A 26 -6.479 4.675 -8.489 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.800 3.281 -6.444 1.00 0.00 C ATOM 0 H VAL A 26 -9.444 4.087 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.240 5.883 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.339 3.834 -7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.125 3.773 -8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.975 5.320 -9.214 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.632 5.205 -8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.421 2.440 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.974 3.762 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.530 2.921 -5.719 1.00 0.00 H new ATOM 417 N LYS A 27 -9.491 6.511 -8.336 1.00 0.00 N ATOM 418 CA LYS A 27 -9.988 7.594 -9.175 1.00 0.00 C ATOM 419 C LYS A 27 -10.281 8.854 -8.370 1.00 0.00 C ATOM 420 O LYS A 27 -10.009 9.942 -8.870 1.00 0.00 O ATOM 421 CB LYS A 27 -11.262 7.155 -9.902 1.00 0.00 C ATOM 422 CG LYS A 27 -11.104 6.085 -10.984 1.00 0.00 C ATOM 423 CD LYS A 27 -12.526 5.680 -11.404 1.00 0.00 C ATOM 424 CE LYS A 27 -12.561 5.097 -12.818 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.932 5.182 -13.396 1.00 0.00 N ATOM 0 H LYS A 27 -10.031 5.649 -8.407 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.205 7.827 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.967 6.785 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.714 8.036 -10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.543 6.473 -11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.552 5.226 -10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.917 4.946 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.181 6.550 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.860 5.636 -13.455 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.236 4.057 -12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.868 5.261 -14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.467 4.326 -13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.419 6.018 -13.014 1.00 0.00 H new ATOM 439 N ALA A 28 -10.791 8.746 -7.145 1.00 0.00 N ATOM 440 CA ALA A 28 -10.980 9.930 -6.300 1.00 0.00 C ATOM 441 C ALA A 28 -9.636 10.588 -5.983 1.00 0.00 C ATOM 442 O ALA A 28 -9.538 11.811 -6.006 1.00 0.00 O ATOM 443 CB ALA A 28 -11.725 9.567 -5.011 1.00 0.00 C ATOM 0 H ALA A 28 -11.078 7.866 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.589 10.647 -6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.853 10.461 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.703 9.154 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.150 8.827 -4.454 1.00 0.00 H new ATOM 449 N LYS A 29 -8.570 9.803 -5.778 1.00 0.00 N ATOM 450 CA LYS A 29 -7.218 10.352 -5.602 1.00 0.00 C ATOM 451 C LYS A 29 -6.767 11.035 -6.883 1.00 0.00 C ATOM 452 O LYS A 29 -6.172 12.100 -6.834 1.00 0.00 O ATOM 453 CB LYS A 29 -6.211 9.277 -5.159 1.00 0.00 C ATOM 454 CG LYS A 29 -6.595 8.716 -3.786 1.00 0.00 C ATOM 455 CD LYS A 29 -5.694 7.569 -3.314 1.00 0.00 C ATOM 456 CE LYS A 29 -6.002 7.252 -1.835 1.00 0.00 C ATOM 457 NZ LYS A 29 -4.976 7.785 -0.889 1.00 0.00 N ATOM 0 H LYS A 29 -8.617 8.785 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.255 11.091 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.183 8.472 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.209 9.704 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.558 9.521 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.626 8.365 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.860 6.685 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.646 7.845 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.975 7.669 -1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.075 6.172 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.283 7.613 0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.068 7.306 -1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.861 8.807 -1.041 1.00 0.00 H new ATOM 471 N ILE A 30 -7.104 10.484 -8.047 1.00 0.00 N ATOM 472 CA ILE A 30 -6.728 11.104 -9.322 1.00 0.00 C ATOM 473 C ILE A 30 -7.448 12.431 -9.444 1.00 0.00 C ATOM 474 O ILE A 30 -6.829 13.408 -9.808 1.00 0.00 O ATOM 475 CB ILE A 30 -7.046 10.219 -10.545 1.00 0.00 C ATOM 476 CG1 ILE A 30 -6.459 8.798 -10.520 1.00 0.00 C ATOM 477 CG2 ILE A 30 -6.598 10.903 -11.852 1.00 0.00 C ATOM 478 CD1 ILE A 30 -5.253 8.626 -9.604 1.00 0.00 C ATOM 0 H ILE A 30 -7.633 9.616 -8.137 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.647 11.243 -9.317 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.129 10.104 -10.497 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.238 8.103 -10.208 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.171 8.520 -11.534 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.833 10.259 -12.699 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.120 11.853 -11.963 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.523 11.081 -11.819 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.906 7.594 -9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.453 9.292 -9.927 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.536 8.869 -8.580 1.00 0.00 H new ATOM 490 N GLN A 31 -8.727 12.507 -9.119 1.00 0.00 N ATOM 491 CA GLN A 31 -9.474 13.750 -9.107 1.00 0.00 C ATOM 492 C GLN A 31 -8.830 14.739 -8.143 1.00 0.00 C ATOM 493 O GLN A 31 -8.774 15.923 -8.451 1.00 0.00 O ATOM 494 CB GLN A 31 -10.937 13.504 -8.737 1.00 0.00 C ATOM 495 CG GLN A 31 -11.815 14.735 -9.046 1.00 0.00 C ATOM 496 CD GLN A 31 -12.470 15.267 -7.783 1.00 0.00 C ATOM 497 OE1 GLN A 31 -11.853 15.936 -6.960 1.00 0.00 O ATOM 498 NE2 GLN A 31 -13.733 14.934 -7.607 1.00 0.00 N ATOM 0 H GLN A 31 -9.283 11.694 -8.852 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.452 14.177 -10.110 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.312 12.641 -9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.009 13.262 -7.677 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.206 15.516 -9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.582 14.466 -9.772 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.216 14.377 -8.311 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.227 15.234 -6.766 1.00 0.00 H new ATOM 507 N ASP A 32 -8.294 14.260 -7.022 1.00 0.00 N ATOM 508 CA ASP A 32 -7.620 15.140 -6.088 1.00 0.00 C ATOM 509 C ASP A 32 -6.327 15.694 -6.698 1.00 0.00 C ATOM 510 O ASP A 32 -5.966 16.833 -6.387 1.00 0.00 O ATOM 511 CB ASP A 32 -7.337 14.427 -4.764 1.00 0.00 C ATOM 512 CG ASP A 32 -6.716 15.395 -3.744 1.00 0.00 C ATOM 513 OD1 ASP A 32 -7.443 16.288 -3.237 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.515 15.251 -3.413 1.00 0.00 O ATOM 0 H ASP A 32 -8.316 13.278 -6.746 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.284 15.979 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.263 14.014 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.661 13.589 -4.934 1.00 0.00 H new ATOM 519 N LYS A 33 -5.647 14.950 -7.598 1.00 0.00 N ATOM 520 CA LYS A 33 -4.353 15.378 -8.141 1.00 0.00 C ATOM 521 C LYS A 33 -4.461 16.037 -9.524 1.00 0.00 C ATOM 522 O LYS A 33 -3.635 16.879 -9.873 1.00 0.00 O ATOM 523 CB LYS A 33 -3.338 14.242 -8.025 1.00 0.00 C ATOM 524 CG LYS A 33 -3.239 13.831 -6.539 1.00 0.00 C ATOM 525 CD LYS A 33 -1.972 13.081 -6.122 1.00 0.00 C ATOM 526 CE LYS A 33 -0.681 13.927 -6.188 1.00 0.00 C ATOM 527 NZ LYS A 33 0.483 13.234 -5.556 1.00 0.00 N ATOM 0 H LYS A 33 -5.977 14.055 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.966 16.193 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.647 13.393 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.365 14.563 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.319 14.731 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.100 13.207 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.100 12.714 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.853 12.208 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.447 14.149 -7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.848 14.881 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.343 13.801 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.308 13.120 -4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.609 12.298 -5.992 1.00 0.00 H new ATOM 541 N GLU A 34 -5.526 15.727 -10.263 1.00 0.00 N ATOM 542 CA GLU A 34 -5.725 16.073 -11.670 1.00 0.00 C ATOM 543 C GLU A 34 -6.957 16.949 -11.888 1.00 0.00 C ATOM 544 O GLU A 34 -6.943 17.830 -12.744 1.00 0.00 O ATOM 545 CB GLU A 34 -5.882 14.770 -12.482 1.00 0.00 C ATOM 546 CG GLU A 34 -4.646 13.864 -12.429 1.00 0.00 C ATOM 547 CD GLU A 34 -3.347 14.648 -12.654 1.00 0.00 C ATOM 548 OE1 GLU A 34 -3.166 15.246 -13.739 1.00 0.00 O ATOM 549 OE2 GLU A 34 -2.496 14.675 -11.738 1.00 0.00 O ATOM 0 H GLU A 34 -6.311 15.202 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.857 16.643 -12.000 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.744 14.218 -12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.094 15.022 -13.521 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.604 13.364 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.735 13.085 -13.186 1.00 0.00 H new ATOM 556 N GLY A 35 -8.016 16.718 -11.111 1.00 0.00 N ATOM 557 CA GLY A 35 -9.241 17.508 -11.151 1.00 0.00 C ATOM 558 C GLY A 35 -10.306 16.864 -12.034 1.00 0.00 C ATOM 559 O GLY A 35 -11.261 17.537 -12.411 1.00 0.00 O ATOM 0 H GLY A 35 -8.044 15.963 -10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.630 17.625 -10.140 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.016 18.507 -11.524 1.00 0.00 H new ATOM 563 N ILE A 36 -10.153 15.579 -12.381 1.00 0.00 N ATOM 564 CA ILE A 36 -11.009 14.905 -13.343 1.00 0.00 C ATOM 565 C ILE A 36 -11.973 14.085 -12.510 1.00 0.00 C ATOM 566 O ILE A 36 -11.490 13.294 -11.703 1.00 0.00 O ATOM 567 CB ILE A 36 -10.185 13.967 -14.233 1.00 0.00 C ATOM 568 CG1 ILE A 36 -9.064 14.718 -14.974 1.00 0.00 C ATOM 569 CG2 ILE A 36 -11.113 13.253 -15.233 1.00 0.00 C ATOM 570 CD1 ILE A 36 -8.081 13.712 -15.536 1.00 0.00 C ATOM 0 H ILE A 36 -9.423 14.981 -11.994 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.515 15.617 -13.995 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.706 13.227 -13.592 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.484 15.323 -15.778 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.555 15.401 -14.294 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.524 12.587 -15.864 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.857 12.672 -14.688 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.615 13.993 -15.856 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.284 14.237 -16.062 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.654 13.127 -14.722 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.597 13.047 -16.229 1.00 0.00 H new ATOM 582 N PRO A 37 -13.291 14.190 -12.695 1.00 0.00 N ATOM 583 CA PRO A 37 -14.234 13.411 -11.908 1.00 0.00 C ATOM 584 C PRO A 37 -14.016 11.905 -12.107 1.00 0.00 C ATOM 585 O PRO A 37 -13.680 11.479 -13.209 1.00 0.00 O ATOM 586 CB PRO A 37 -15.626 13.898 -12.311 1.00 0.00 C ATOM 587 CG PRO A 37 -15.403 15.072 -13.272 1.00 0.00 C ATOM 588 CD PRO A 37 -13.952 14.967 -13.727 1.00 0.00 C ATOM 0 HA PRO A 37 -14.096 13.557 -10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.193 13.102 -12.793 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.197 14.212 -11.437 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.084 15.017 -14.121 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.589 16.024 -12.776 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.877 14.478 -14.698 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.498 15.953 -13.831 1.00 0.00 H new ATOM 596 N PRO A 38 -14.227 11.066 -11.078 1.00 0.00 N ATOM 597 CA PRO A 38 -13.974 9.631 -11.186 1.00 0.00 C ATOM 598 C PRO A 38 -14.875 8.967 -12.210 1.00 0.00 C ATOM 599 O PRO A 38 -14.431 8.069 -12.923 1.00 0.00 O ATOM 600 CB PRO A 38 -14.224 9.062 -9.788 1.00 0.00 C ATOM 601 CG PRO A 38 -15.113 10.086 -9.092 1.00 0.00 C ATOM 602 CD PRO A 38 -14.687 11.405 -9.730 1.00 0.00 C ATOM 0 HA PRO A 38 -12.956 9.442 -11.528 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.712 8.089 -9.841 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.288 8.921 -9.247 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.171 9.881 -9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.955 10.090 -8.014 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.519 12.109 -9.766 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.893 11.880 -9.154 1.00 0.00 H new ATOM 610 N ASP A 39 -16.104 9.459 -12.354 1.00 0.00 N ATOM 611 CA ASP A 39 -17.056 8.883 -13.306 1.00 0.00 C ATOM 612 C ASP A 39 -16.642 9.168 -14.752 1.00 0.00 C ATOM 613 O ASP A 39 -17.093 8.492 -15.673 1.00 0.00 O ATOM 614 CB ASP A 39 -18.464 9.411 -13.019 1.00 0.00 C ATOM 615 CG ASP A 39 -19.485 8.926 -14.063 1.00 0.00 C ATOM 616 OD1 ASP A 39 -19.750 7.706 -14.152 1.00 0.00 O ATOM 617 OD2 ASP A 39 -20.041 9.760 -14.814 1.00 0.00 O ATOM 0 H ASP A 39 -16.465 10.253 -11.826 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.057 7.800 -13.181 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.778 9.086 -12.027 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.447 10.501 -13.007 1.00 0.00 H new ATOM 622 N GLN A 40 -15.731 10.124 -14.953 1.00 0.00 N ATOM 623 CA GLN A 40 -15.188 10.452 -16.270 1.00 0.00 C ATOM 624 C GLN A 40 -13.862 9.735 -16.512 1.00 0.00 C ATOM 625 O GLN A 40 -13.455 9.601 -17.663 1.00 0.00 O ATOM 626 CB GLN A 40 -15.030 11.981 -16.362 1.00 0.00 C ATOM 627 CG GLN A 40 -14.561 12.493 -17.734 1.00 0.00 C ATOM 628 CD GLN A 40 -15.633 12.456 -18.821 1.00 0.00 C ATOM 629 OE1 GLN A 40 -15.735 11.499 -19.591 1.00 0.00 O ATOM 630 NE2 GLN A 40 -16.432 13.507 -18.906 1.00 0.00 N ATOM 0 H GLN A 40 -15.348 10.695 -14.200 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.871 10.111 -17.048 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.986 12.447 -16.122 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.317 12.306 -15.604 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.207 13.518 -17.624 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.710 11.895 -18.060 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.323 14.284 -18.254 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.157 13.540 -19.623 1.00 0.00 H new ATOM 639 N GLN A 41 -13.164 9.252 -15.482 1.00 0.00 N ATOM 640 CA GLN A 41 -11.891 8.583 -15.687 1.00 0.00 C ATOM 641 C GLN A 41 -12.153 7.190 -16.222 1.00 0.00 C ATOM 642 O GLN A 41 -13.030 6.481 -15.749 1.00 0.00 O ATOM 643 CB GLN A 41 -11.137 8.475 -14.358 1.00 0.00 C ATOM 644 CG GLN A 41 -10.528 9.806 -13.908 1.00 0.00 C ATOM 645 CD GLN A 41 -10.120 9.724 -12.453 1.00 0.00 C ATOM 646 OE1 GLN A 41 -9.475 8.771 -12.060 1.00 0.00 O ATOM 647 NE2 GLN A 41 -10.523 10.654 -11.605 1.00 0.00 N ATOM 0 H GLN A 41 -13.461 9.314 -14.508 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.290 9.154 -16.394 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.819 8.114 -13.588 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.344 7.733 -14.455 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.661 10.045 -14.524 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.250 10.611 -14.047 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.064 11.451 -11.941 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.293 10.575 -10.614 1.00 0.00 H new ATOM 656 N ARG A 42 -11.311 6.772 -17.148 1.00 0.00 N ATOM 657 CA ARG A 42 -11.226 5.416 -17.663 1.00 0.00 C ATOM 658 C ARG A 42 -9.822 4.989 -17.275 1.00 0.00 C ATOM 659 O ARG A 42 -8.871 5.505 -17.837 1.00 0.00 O ATOM 660 CB ARG A 42 -11.477 5.495 -19.177 1.00 0.00 C ATOM 661 CG ARG A 42 -11.504 4.149 -19.885 1.00 0.00 C ATOM 662 CD ARG A 42 -11.969 4.305 -21.344 1.00 0.00 C ATOM 663 NE ARG A 42 -12.072 2.989 -21.996 1.00 0.00 N ATOM 664 CZ ARG A 42 -12.297 2.704 -23.282 1.00 0.00 C ATOM 665 NH1 ARG A 42 -12.435 3.654 -24.195 1.00 0.00 N ATOM 666 NH2 ARG A 42 -12.373 1.433 -23.636 1.00 0.00 N ATOM 0 H ARG A 42 -10.634 7.399 -17.584 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.947 4.695 -17.278 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.427 6.000 -19.349 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.701 6.113 -19.629 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.510 3.701 -19.862 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.172 3.469 -19.357 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.936 4.808 -21.372 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.266 4.934 -21.890 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.956 2.184 -21.381 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.370 4.635 -23.924 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.606 3.404 -25.169 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.261 0.701 -22.935 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.544 1.184 -24.610 1.00 0.00 H new ATOM 680 N LEU A 43 -9.672 4.186 -16.231 1.00 0.00 N ATOM 681 CA LEU A 43 -8.345 3.834 -15.738 1.00 0.00 C ATOM 682 C LEU A 43 -7.902 2.643 -16.553 1.00 0.00 C ATOM 683 O LEU A 43 -8.672 1.699 -16.709 1.00 0.00 O ATOM 684 CB LEU A 43 -8.405 3.531 -14.221 1.00 0.00 C ATOM 685 CG LEU A 43 -7.336 4.274 -13.404 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.437 5.807 -13.515 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.533 3.900 -11.934 1.00 0.00 C ATOM 0 H LEU A 43 -10.444 3.768 -15.712 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.628 4.648 -15.850 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.391 3.800 -13.844 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.287 2.458 -14.068 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.362 3.981 -13.795 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.653 6.268 -12.914 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.318 6.105 -14.557 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.412 6.135 -13.153 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.788 4.412 -11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.531 4.199 -11.613 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.421 2.822 -11.815 1.00 0.00 H new ATOM 699 N ILE A 44 -6.685 2.680 -17.072 1.00 0.00 N ATOM 700 CA ILE A 44 -6.106 1.582 -17.839 1.00 0.00 C ATOM 701 C ILE A 44 -4.859 1.156 -17.094 1.00 0.00 C ATOM 702 O ILE A 44 -4.242 1.944 -16.378 1.00 0.00 O ATOM 703 CB ILE A 44 -5.900 2.007 -19.325 1.00 0.00 C ATOM 704 CG1 ILE A 44 -7.300 2.341 -19.911 1.00 0.00 C ATOM 705 CG2 ILE A 44 -5.149 0.960 -20.172 1.00 0.00 C ATOM 706 CD1 ILE A 44 -7.405 2.459 -21.437 1.00 0.00 C ATOM 0 H ILE A 44 -6.062 3.482 -16.973 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.759 0.713 -17.915 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.251 2.882 -19.357 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.998 1.571 -19.582 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.635 3.282 -19.474 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.044 1.326 -21.193 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.161 0.787 -19.745 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.710 0.026 -20.177 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.433 2.695 -21.714 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.744 3.252 -21.787 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.113 1.514 -21.896 1.00 0.00 H new ATOM 718 N PHE A 45 -4.500 -0.104 -17.258 1.00 0.00 N ATOM 719 CA PHE A 45 -3.308 -0.675 -16.686 1.00 0.00 C ATOM 720 C PHE A 45 -2.789 -1.663 -17.707 1.00 0.00 C ATOM 721 O PHE A 45 -3.490 -2.608 -18.037 1.00 0.00 O ATOM 722 CB PHE A 45 -3.688 -1.397 -15.396 1.00 0.00 C ATOM 723 CG PHE A 45 -2.565 -2.240 -14.844 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.339 -1.631 -14.535 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.715 -3.632 -14.714 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.275 -2.405 -14.047 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.659 -4.403 -14.204 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.449 -3.788 -13.846 1.00 0.00 C ATOM 0 H PHE A 45 -5.046 -0.769 -17.806 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.553 0.076 -16.452 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.986 -0.662 -14.648 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.555 -2.031 -15.582 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.214 -0.567 -14.673 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.640 -4.107 -15.006 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.675 -1.941 -13.826 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.777 -5.470 -14.087 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.349 -4.376 -13.416 1.00 0.00 H new ATOM 738 N ALA A 46 -1.585 -1.440 -18.225 1.00 0.00 N ATOM 739 CA ALA A 46 -0.862 -2.392 -19.077 1.00 0.00 C ATOM 740 C ALA A 46 -1.664 -2.964 -20.263 1.00 0.00 C ATOM 741 O ALA A 46 -1.401 -4.070 -20.743 1.00 0.00 O ATOM 742 CB ALA A 46 -0.284 -3.483 -18.168 1.00 0.00 C ATOM 0 H ALA A 46 -1.069 -0.575 -18.063 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.065 -1.848 -19.584 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.261 -4.209 -18.772 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.394 -3.032 -17.444 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.095 -3.986 -17.642 1.00 0.00 H new ATOM 748 N GLY A 47 -2.646 -2.197 -20.735 1.00 0.00 N ATOM 749 CA GLY A 47 -3.472 -2.521 -21.892 1.00 0.00 C ATOM 750 C GLY A 47 -4.838 -3.092 -21.528 1.00 0.00 C ATOM 751 O GLY A 47 -5.588 -3.445 -22.440 1.00 0.00 O ATOM 0 H GLY A 47 -2.895 -1.305 -20.307 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.612 -1.621 -22.491 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.942 -3.240 -22.516 1.00 0.00 H new ATOM 755 N LYS A 48 -5.203 -3.142 -20.238 1.00 0.00 N ATOM 756 CA LYS A 48 -6.548 -3.530 -19.805 1.00 0.00 C ATOM 757 C LYS A 48 -7.135 -2.433 -18.933 1.00 0.00 C ATOM 758 O LYS A 48 -6.448 -1.876 -18.086 1.00 0.00 O ATOM 759 CB LYS A 48 -6.531 -4.931 -19.154 1.00 0.00 C ATOM 760 CG LYS A 48 -5.958 -5.002 -17.723 1.00 0.00 C ATOM 761 CD LYS A 48 -5.855 -6.435 -17.175 1.00 0.00 C ATOM 762 CE LYS A 48 -4.824 -7.282 -17.945 1.00 0.00 C ATOM 763 NZ LYS A 48 -4.691 -8.658 -17.392 1.00 0.00 N ATOM 0 H LYS A 48 -4.573 -2.914 -19.469 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.213 -3.628 -20.663 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.551 -5.314 -19.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.951 -5.599 -19.790 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.968 -4.546 -17.713 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.588 -4.411 -17.058 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.579 -6.400 -16.121 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.832 -6.915 -17.233 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.117 -7.342 -18.993 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.854 -6.786 -17.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.986 -9.187 -17.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.385 -8.605 -16.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.609 -9.144 -17.446 1.00 0.00 H new ATOM 777 N GLN A 49 -8.375 -2.049 -19.183 1.00 0.00 N ATOM 778 CA GLN A 49 -9.111 -1.110 -18.368 1.00 0.00 C ATOM 779 C GLN A 49 -9.424 -1.753 -17.016 1.00 0.00 C ATOM 780 O GLN A 49 -9.562 -2.976 -16.927 1.00 0.00 O ATOM 781 CB GLN A 49 -10.373 -0.794 -19.164 1.00 0.00 C ATOM 782 CG GLN A 49 -11.204 0.352 -18.603 1.00 0.00 C ATOM 783 CD GLN A 49 -12.387 0.635 -19.518 1.00 0.00 C ATOM 784 OE1 GLN A 49 -12.302 0.535 -20.737 1.00 0.00 O ATOM 785 NE2 GLN A 49 -13.497 1.062 -18.963 1.00 0.00 N ATOM 0 H GLN A 49 -8.908 -2.394 -19.981 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.557 -0.196 -18.154 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.090 -0.553 -20.189 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.994 -1.689 -19.207 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.559 0.099 -17.604 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.587 1.245 -18.506 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.561 1.143 -17.948 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.295 1.313 -19.546 1.00 0.00 H new ATOM 794 N LEU A 50 -9.586 -0.917 -15.991 1.00 0.00 N ATOM 795 CA LEU A 50 -10.009 -1.342 -14.660 1.00 0.00 C ATOM 796 C LEU A 50 -11.419 -0.806 -14.400 1.00 0.00 C ATOM 797 O LEU A 50 -11.785 0.207 -15.001 1.00 0.00 O ATOM 798 CB LEU A 50 -9.023 -0.838 -13.585 1.00 0.00 C ATOM 799 CG LEU A 50 -7.521 -0.859 -13.914 1.00 0.00 C ATOM 800 CD1 LEU A 50 -6.713 -0.485 -12.668 1.00 0.00 C ATOM 801 CD2 LEU A 50 -7.039 -2.205 -14.462 1.00 0.00 C ATOM 0 H LEU A 50 -9.425 0.087 -16.064 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.017 -2.431 -14.609 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.296 0.188 -13.337 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.176 -1.435 -12.686 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.362 -0.126 -14.705 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.649 -0.501 -12.906 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.996 0.514 -12.337 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.918 -1.202 -11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.971 -2.151 -14.673 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.224 -2.986 -13.724 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.579 -2.439 -15.380 1.00 0.00 H new ATOM 813 N GLU A 51 -12.188 -1.410 -13.481 1.00 0.00 N ATOM 814 CA GLU A 51 -13.525 -0.912 -13.144 1.00 0.00 C ATOM 815 C GLU A 51 -13.598 -0.529 -11.670 1.00 0.00 C ATOM 816 O GLU A 51 -12.840 -1.034 -10.851 1.00 0.00 O ATOM 817 CB GLU A 51 -14.635 -1.859 -13.641 1.00 0.00 C ATOM 818 CG GLU A 51 -14.761 -3.165 -12.867 1.00 0.00 C ATOM 819 CD GLU A 51 -15.861 -4.068 -13.457 1.00 0.00 C ATOM 820 OE1 GLU A 51 -15.588 -4.812 -14.431 1.00 0.00 O ATOM 821 OE2 GLU A 51 -17.007 -4.049 -12.947 1.00 0.00 O ATOM 0 H GLU A 51 -11.906 -2.241 -12.961 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.714 0.013 -13.689 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.589 -1.333 -13.594 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.451 -2.092 -14.690 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.807 -3.693 -12.885 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.987 -2.950 -11.823 1.00 0.00 H new ATOM 828 N ASP A 52 -14.514 0.388 -11.342 1.00 0.00 N ATOM 829 CA ASP A 52 -14.626 1.076 -10.053 1.00 0.00 C ATOM 830 C ASP A 52 -14.698 0.104 -8.888 1.00 0.00 C ATOM 831 O ASP A 52 -14.084 0.338 -7.845 1.00 0.00 O ATOM 832 CB ASP A 52 -15.868 1.983 -10.054 1.00 0.00 C ATOM 833 CG ASP A 52 -15.578 3.341 -10.701 1.00 0.00 C ATOM 834 OD1 ASP A 52 -15.399 3.381 -11.941 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.492 4.362 -9.984 1.00 0.00 O ATOM 0 H ASP A 52 -15.233 0.685 -12.002 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.726 1.677 -9.922 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.678 1.490 -10.591 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.209 2.133 -9.030 1.00 0.00 H new ATOM 840 N GLY A 53 -15.409 -1.007 -9.085 1.00 0.00 N ATOM 841 CA GLY A 53 -15.695 -1.998 -8.057 1.00 0.00 C ATOM 842 C GLY A 53 -14.562 -3.003 -7.843 1.00 0.00 C ATOM 843 O GLY A 53 -14.785 -4.029 -7.199 1.00 0.00 O ATOM 0 H GLY A 53 -15.811 -1.245 -9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.897 -1.486 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.602 -2.538 -8.327 1.00 0.00 H new ATOM 847 N ARG A 54 -13.370 -2.755 -8.393 1.00 0.00 N ATOM 848 CA ARG A 54 -12.237 -3.678 -8.368 1.00 0.00 C ATOM 849 C ARG A 54 -11.072 -3.007 -7.678 1.00 0.00 C ATOM 850 O ARG A 54 -11.169 -1.830 -7.353 1.00 0.00 O ATOM 851 CB ARG A 54 -11.900 -4.075 -9.811 1.00 0.00 C ATOM 852 CG ARG A 54 -12.999 -4.883 -10.512 1.00 0.00 C ATOM 853 CD ARG A 54 -13.413 -6.173 -9.811 1.00 0.00 C ATOM 854 NE ARG A 54 -14.347 -6.956 -10.641 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.019 -7.823 -11.614 1.00 0.00 C ATOM 856 NH1 ARG A 54 -12.745 -8.091 -11.893 1.00 0.00 N ATOM 857 NH2 ARG A 54 -14.985 -8.427 -12.298 1.00 0.00 N ATOM 0 H ARG A 54 -13.163 -1.883 -8.880 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.476 -4.584 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.704 -3.172 -10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.979 -4.659 -9.810 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.879 -4.249 -10.619 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.659 -5.129 -11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.528 -6.771 -9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.882 -5.936 -8.856 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.342 -6.827 -10.458 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.001 -7.636 -11.365 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.513 -8.752 -12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.962 -8.230 -12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.749 -9.087 -13.039 1.00 0.00 H new ATOM 871 N THR A 55 -9.974 -3.709 -7.454 1.00 0.00 N ATOM 872 CA THR A 55 -8.864 -3.234 -6.642 1.00 0.00 C ATOM 873 C THR A 55 -7.569 -3.417 -7.393 1.00 0.00 C ATOM 874 O THR A 55 -7.508 -4.130 -8.392 1.00 0.00 O ATOM 875 CB THR A 55 -8.818 -4.013 -5.317 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.860 -5.397 -5.605 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.969 -3.646 -4.390 1.00 0.00 C ATOM 0 H THR A 55 -9.825 -4.642 -7.838 1.00 0.00 H new ATOM 0 HA THR A 55 -9.004 -2.175 -6.426 1.00 0.00 H new ATOM 0 HB THR A 55 -7.895 -3.751 -4.800 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.830 -5.906 -4.768 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.892 -4.223 -3.468 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.924 -2.582 -4.157 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.916 -3.870 -4.880 1.00 0.00 H new ATOM 885 N LEU A 56 -6.509 -2.795 -6.891 1.00 0.00 N ATOM 886 CA LEU A 56 -5.191 -2.934 -7.507 1.00 0.00 C ATOM 887 C LEU A 56 -4.776 -4.414 -7.549 1.00 0.00 C ATOM 888 O LEU A 56 -4.395 -4.923 -8.603 1.00 0.00 O ATOM 889 CB LEU A 56 -4.189 -2.020 -6.768 1.00 0.00 C ATOM 890 CG LEU A 56 -4.637 -0.549 -6.717 1.00 0.00 C ATOM 891 CD1 LEU A 56 -3.528 0.333 -6.164 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.024 -0.014 -8.103 1.00 0.00 C ATOM 0 H LEU A 56 -6.533 -2.194 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.211 -2.606 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.053 -2.388 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.219 -2.081 -7.261 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.511 -0.517 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.866 1.369 -6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.273 0.008 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.648 0.255 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.333 1.028 -8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.167 -0.084 -8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.847 -0.605 -8.504 1.00 0.00 H new ATOM 904 N SER A 57 -4.982 -5.126 -6.445 1.00 0.00 N ATOM 905 CA SER A 57 -4.757 -6.562 -6.342 1.00 0.00 C ATOM 906 C SER A 57 -5.625 -7.367 -7.307 1.00 0.00 C ATOM 907 O SER A 57 -5.151 -8.395 -7.797 1.00 0.00 O ATOM 908 CB SER A 57 -5.051 -7.039 -4.919 1.00 0.00 C ATOM 909 OG SER A 57 -3.927 -6.840 -4.092 1.00 0.00 O ATOM 0 H SER A 57 -5.318 -4.709 -5.577 1.00 0.00 H new ATOM 0 HA SER A 57 -3.712 -6.729 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.907 -6.497 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.319 -8.095 -4.931 1.00 0.00 H new ATOM 0 HG SER A 57 -4.130 -7.148 -3.184 1.00 0.00 H new ATOM 915 N ASP A 58 -6.849 -6.928 -7.635 1.00 0.00 N ATOM 916 CA ASP A 58 -7.684 -7.647 -8.595 1.00 0.00 C ATOM 917 C ASP A 58 -7.028 -7.693 -9.977 1.00 0.00 C ATOM 918 O ASP A 58 -7.254 -8.630 -10.750 1.00 0.00 O ATOM 919 CB ASP A 58 -9.053 -6.985 -8.692 1.00 0.00 C ATOM 920 CG ASP A 58 -9.990 -7.831 -9.566 1.00 0.00 C ATOM 921 OD1 ASP A 58 -10.398 -8.930 -9.117 1.00 0.00 O ATOM 922 OD2 ASP A 58 -10.379 -7.374 -10.665 1.00 0.00 O ATOM 0 H ASP A 58 -7.276 -6.085 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.800 -8.671 -8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.480 -6.868 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.953 -5.986 -9.115 1.00 0.00 H new ATOM 927 N TYR A 59 -6.138 -6.730 -10.237 1.00 0.00 N ATOM 928 CA TYR A 59 -5.393 -6.584 -11.478 1.00 0.00 C ATOM 929 C TYR A 59 -3.900 -6.897 -11.304 1.00 0.00 C ATOM 930 O TYR A 59 -3.121 -6.663 -12.221 1.00 0.00 O ATOM 931 CB TYR A 59 -5.646 -5.177 -12.017 1.00 0.00 C ATOM 932 CG TYR A 59 -7.097 -4.935 -12.360 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.664 -5.598 -13.464 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.889 -4.076 -11.571 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.014 -5.401 -13.797 1.00 0.00 C ATOM 936 CE2 TYR A 59 -9.243 -3.900 -11.887 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.815 -4.553 -13.001 1.00 0.00 C ATOM 938 OH TYR A 59 -11.113 -4.298 -13.331 1.00 0.00 O ATOM 0 H TYR A 59 -5.912 -6.004 -9.556 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.743 -7.316 -12.206 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.326 -4.445 -11.275 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.036 -5.018 -12.906 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.057 -6.263 -14.060 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.455 -3.557 -10.729 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.438 -5.896 -14.658 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.856 -3.258 -11.272 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.579 -5.143 -13.504 1.00 0.00 H new ATOM 948 N ASN A 60 -3.481 -7.429 -10.148 1.00 0.00 N ATOM 949 CA ASN A 60 -2.096 -7.802 -9.793 1.00 0.00 C ATOM 950 C ASN A 60 -1.165 -6.589 -9.635 1.00 0.00 C ATOM 951 O ASN A 60 0.043 -6.738 -9.441 1.00 0.00 O ATOM 952 CB ASN A 60 -1.548 -8.930 -10.709 1.00 0.00 C ATOM 953 CG ASN A 60 -0.344 -8.556 -11.581 1.00 0.00 C ATOM 954 OD1 ASN A 60 0.755 -9.077 -11.404 1.00 0.00 O ATOM 955 ND2 ASN A 60 -0.528 -7.677 -12.554 1.00 0.00 N ATOM 0 H ASN A 60 -4.134 -7.624 -9.389 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.125 -8.235 -8.793 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.270 -9.778 -10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.354 -9.267 -11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.247 -7.425 -13.167 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.445 -7.252 -12.690 1.00 0.00 H new ATOM 962 N ILE A 61 -1.723 -5.380 -9.670 1.00 0.00 N ATOM 963 CA ILE A 61 -1.010 -4.140 -9.440 1.00 0.00 C ATOM 964 C ILE A 61 -0.573 -4.155 -7.976 1.00 0.00 C ATOM 965 O ILE A 61 -1.391 -4.359 -7.074 1.00 0.00 O ATOM 966 CB ILE A 61 -1.955 -2.958 -9.722 1.00 0.00 C ATOM 967 CG1 ILE A 61 -2.490 -2.944 -11.165 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.282 -1.605 -9.408 1.00 0.00 C ATOM 969 CD1 ILE A 61 -3.812 -2.186 -11.253 1.00 0.00 C ATOM 0 H ILE A 61 -2.714 -5.240 -9.866 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.143 -4.036 -10.092 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.805 -3.101 -9.055 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.756 -2.480 -11.824 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.630 -3.967 -11.514 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.979 -0.794 -9.619 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.999 -1.575 -8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.392 -1.489 -10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.167 -2.192 -12.284 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.551 -2.667 -10.612 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.664 -1.157 -10.926 1.00 0.00 H new ATOM 981 N GLN A 62 0.712 -3.911 -7.754 1.00 0.00 N ATOM 982 CA GLN A 62 1.341 -3.863 -6.444 1.00 0.00 C ATOM 983 C GLN A 62 1.976 -2.480 -6.288 1.00 0.00 C ATOM 984 O GLN A 62 1.658 -1.540 -7.013 1.00 0.00 O ATOM 985 CB GLN A 62 2.357 -5.021 -6.369 1.00 0.00 C ATOM 986 CG GLN A 62 1.634 -6.373 -6.379 1.00 0.00 C ATOM 987 CD GLN A 62 2.552 -7.489 -6.865 1.00 0.00 C ATOM 988 OE1 GLN A 62 3.371 -8.026 -6.122 1.00 0.00 O ATOM 989 NE2 GLN A 62 2.442 -7.838 -8.137 1.00 0.00 N ATOM 0 H GLN A 62 1.370 -3.734 -8.513 1.00 0.00 H new ATOM 0 HA GLN A 62 0.638 -3.995 -5.621 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.045 -4.964 -7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.956 -4.929 -5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.277 -6.604 -5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.757 -6.314 -7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.755 -7.378 -8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.044 -8.567 -8.520 1.00 0.00 H new ATOM 998 N LYS A 63 2.856 -2.336 -5.303 1.00 0.00 N ATOM 999 CA LYS A 63 3.678 -1.158 -5.109 1.00 0.00 C ATOM 1000 C LYS A 63 4.508 -0.864 -6.347 1.00 0.00 C ATOM 1001 O LYS A 63 4.779 -1.736 -7.169 1.00 0.00 O ATOM 1002 CB LYS A 63 4.582 -1.358 -3.878 1.00 0.00 C ATOM 1003 CG LYS A 63 5.685 -2.411 -4.086 1.00 0.00 C ATOM 1004 CD LYS A 63 6.558 -2.621 -2.839 1.00 0.00 C ATOM 1005 CE LYS A 63 5.847 -3.432 -1.739 1.00 0.00 C ATOM 1006 NZ LYS A 63 6.744 -3.723 -0.587 1.00 0.00 N ATOM 0 H LYS A 63 3.018 -3.058 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 63 3.029 -0.299 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.045 -0.406 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.965 -1.653 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.226 -3.359 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.318 -2.106 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.476 -3.135 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.848 -1.650 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.975 -2.879 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.482 -4.369 -2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.224 -4.270 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.563 -4.273 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.072 -2.829 -0.168 1.00 0.00 H new ATOM 1020 N GLU A 64 4.940 0.389 -6.391 1.00 0.00 N ATOM 1021 CA GLU A 64 5.820 0.984 -7.382 1.00 0.00 C ATOM 1022 C GLU A 64 5.431 0.512 -8.787 1.00 0.00 C ATOM 1023 O GLU A 64 6.257 0.075 -9.590 1.00 0.00 O ATOM 1024 CB GLU A 64 7.302 0.873 -6.946 1.00 0.00 C ATOM 1025 CG GLU A 64 8.007 -0.471 -7.118 1.00 0.00 C ATOM 1026 CD GLU A 64 9.303 -0.535 -6.284 1.00 0.00 C ATOM 1027 OE1 GLU A 64 10.383 -0.143 -6.791 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.259 -0.992 -5.116 1.00 0.00 O ATOM 0 H GLU A 64 4.662 1.065 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 64 5.687 2.064 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.869 1.620 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.360 1.147 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.338 -1.276 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.241 -0.629 -8.171 1.00 0.00 H new ATOM 1035 N SER A 65 4.118 0.582 -9.047 1.00 0.00 N ATOM 1036 CA SER A 65 3.545 0.063 -10.292 1.00 0.00 C ATOM 1037 C SER A 65 2.847 1.195 -11.024 1.00 0.00 C ATOM 1038 O SER A 65 2.355 2.127 -10.389 1.00 0.00 O ATOM 1039 CB SER A 65 2.601 -1.115 -10.017 1.00 0.00 C ATOM 1040 OG SER A 65 3.298 -2.237 -9.506 1.00 0.00 O ATOM 0 H SER A 65 3.435 0.993 -8.411 1.00 0.00 H new ATOM 0 HA SER A 65 4.341 -0.324 -10.928 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.834 -0.808 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.089 -1.393 -10.938 1.00 0.00 H new ATOM 0 HG SER A 65 3.774 -1.982 -8.688 1.00 0.00 H new ATOM 1046 N THR A 66 2.809 1.124 -12.351 1.00 0.00 N ATOM 1047 CA THR A 66 2.368 2.221 -13.198 1.00 0.00 C ATOM 1048 C THR A 66 0.951 1.950 -13.689 1.00 0.00 C ATOM 1049 O THR A 66 0.583 0.817 -13.985 1.00 0.00 O ATOM 1050 CB THR A 66 3.363 2.429 -14.363 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.679 2.493 -13.837 1.00 0.00 O ATOM 1052 CG2 THR A 66 3.100 3.711 -15.174 1.00 0.00 C ATOM 0 H THR A 66 3.087 0.292 -12.872 1.00 0.00 H new ATOM 0 HA THR A 66 2.348 3.148 -12.625 1.00 0.00 H new ATOM 0 HB THR A 66 3.234 1.585 -15.041 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.318 2.623 -14.569 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.835 3.792 -15.974 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.099 3.671 -15.604 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.179 4.579 -14.519 1.00 0.00 H new ATOM 1060 N LEU A 67 0.164 3.016 -13.799 1.00 0.00 N ATOM 1061 CA LEU A 67 -1.223 3.058 -14.253 1.00 0.00 C ATOM 1062 C LEU A 67 -1.380 4.085 -15.374 1.00 0.00 C ATOM 1063 O LEU A 67 -0.470 4.880 -15.591 1.00 0.00 O ATOM 1064 CB LEU A 67 -2.077 3.470 -13.039 1.00 0.00 C ATOM 1065 CG LEU A 67 -3.266 2.563 -12.780 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -2.774 1.197 -12.313 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.138 3.173 -11.690 1.00 0.00 C ATOM 0 H LEU A 67 0.506 3.945 -13.554 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.535 2.089 -14.642 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.444 3.484 -12.151 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.436 4.488 -13.190 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.842 2.452 -13.699 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.629 0.546 -12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.142 0.755 -13.083 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.199 1.312 -11.394 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.993 2.523 -11.502 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.555 3.280 -10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.491 4.153 -12.012 1.00 0.00 H new ATOM 1079 N HIS A 68 -2.553 4.150 -16.011 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.818 5.104 -17.103 1.00 0.00 C ATOM 1081 C HIS A 68 -4.149 5.821 -16.896 1.00 0.00 C ATOM 1082 O HIS A 68 -5.160 5.170 -16.634 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.853 4.374 -18.463 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.537 4.273 -19.192 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -1.080 3.129 -19.853 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.681 5.307 -19.451 1.00 0.00 C ATOM 1087 CE1 HIS A 68 0.056 3.493 -20.474 1.00 0.00 C ATOM 1088 NE2 HIS A 68 0.328 4.786 -20.232 1.00 0.00 N ATOM 0 H HIS A 68 -3.345 3.547 -15.789 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.011 5.837 -17.098 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.235 3.366 -18.302 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.566 4.886 -19.110 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.518 2.208 -19.862 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.776 6.328 -19.112 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.664 2.838 -21.081 1.00 0.00 H new ATOM 1096 N LEU A 69 -4.167 7.151 -17.057 1.00 0.00 N ATOM 1097 CA LEU A 69 -5.410 7.939 -17.129 1.00 0.00 C ATOM 1098 C LEU A 69 -5.821 7.958 -18.586 1.00 0.00 C ATOM 1099 O LEU A 69 -5.055 8.426 -19.418 1.00 0.00 O ATOM 1100 CB LEU A 69 -5.196 9.406 -16.659 1.00 0.00 C ATOM 1101 CG LEU A 69 -6.053 10.548 -17.301 1.00 0.00 C ATOM 1102 CD1 LEU A 69 -7.524 10.402 -16.914 1.00 0.00 C ATOM 1103 CD2 LEU A 69 -5.551 11.922 -16.895 1.00 0.00 C ATOM 0 H LEU A 69 -3.320 7.714 -17.141 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.163 7.492 -16.480 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.367 9.434 -15.583 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.147 9.653 -16.822 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.955 10.455 -18.383 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.102 11.206 -17.371 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.899 9.441 -17.265 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.622 10.455 -15.830 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.171 12.688 -17.360 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.603 12.023 -15.811 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.518 12.043 -17.222 1.00 0.00 H new ATOM 1115 N VAL A 70 -7.052 7.553 -18.856 1.00 0.00 N ATOM 1116 CA VAL A 70 -7.745 7.678 -20.131 1.00 0.00 C ATOM 1117 C VAL A 70 -9.112 8.263 -19.770 1.00 0.00 C ATOM 1118 O VAL A 70 -9.496 8.277 -18.606 1.00 0.00 O ATOM 1119 CB VAL A 70 -7.714 6.287 -20.797 1.00 0.00 C ATOM 1120 CG1 VAL A 70 -8.563 6.166 -22.050 1.00 0.00 C ATOM 1121 CG2 VAL A 70 -6.260 5.886 -21.128 1.00 0.00 C ATOM 0 H VAL A 70 -7.630 7.100 -18.148 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.309 8.342 -20.877 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.151 5.609 -20.064 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.480 5.155 -22.449 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.604 6.375 -21.806 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.215 6.880 -22.796 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.252 4.902 -21.598 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.827 6.618 -21.810 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.673 5.855 -20.210 1.00 0.00 H new ATOM 1131 N LEU A 71 -9.871 8.768 -20.735 1.00 0.00 N ATOM 1132 CA LEU A 71 -11.185 9.348 -20.487 1.00 0.00 C ATOM 1133 C LEU A 71 -12.238 8.280 -20.787 1.00 0.00 C ATOM 1134 O LEU A 71 -12.028 7.439 -21.649 1.00 0.00 O ATOM 1135 CB LEU A 71 -11.310 10.577 -21.402 1.00 0.00 C ATOM 1136 CG LEU A 71 -12.560 11.426 -21.120 1.00 0.00 C ATOM 1137 CD1 LEU A 71 -12.199 12.646 -20.287 1.00 0.00 C ATOM 1138 CD2 LEU A 71 -13.229 11.893 -22.403 1.00 0.00 C ATOM 0 H LEU A 71 -9.591 8.787 -21.716 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.326 9.667 -19.454 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.423 11.200 -21.284 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.332 10.246 -22.440 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.256 10.791 -20.573 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.096 13.235 -20.097 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.768 12.325 -19.339 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.473 13.254 -20.827 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.108 12.490 -22.159 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.529 12.498 -22.979 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.531 11.027 -22.992 1.00 0.00 H new ATOM 1150 N ARG A 72 -13.387 8.330 -20.119 1.00 0.00 N ATOM 1151 CA ARG A 72 -14.573 7.506 -20.419 1.00 0.00 C ATOM 1152 C ARG A 72 -15.248 7.907 -21.727 1.00 0.00 C ATOM 1153 O ARG A 72 -15.961 7.100 -22.311 1.00 0.00 O ATOM 1154 CB ARG A 72 -15.611 7.681 -19.278 1.00 0.00 C ATOM 1155 CG ARG A 72 -15.279 6.855 -18.021 1.00 0.00 C ATOM 1156 CD ARG A 72 -16.215 5.660 -17.798 1.00 0.00 C ATOM 1157 NE ARG A 72 -17.404 5.997 -16.980 1.00 0.00 N ATOM 1158 CZ ARG A 72 -18.378 5.142 -16.634 1.00 0.00 C ATOM 1159 NH1 ARG A 72 -18.434 3.934 -17.190 1.00 0.00 N ATOM 1160 NH2 ARG A 72 -19.283 5.479 -15.724 1.00 0.00 N ATOM 0 H ARG A 72 -13.531 8.960 -19.330 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.234 6.474 -20.508 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.668 8.735 -19.007 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.596 7.392 -19.645 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.254 6.492 -18.097 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.323 7.506 -17.148 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.543 5.278 -18.765 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.661 4.858 -17.310 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.489 6.959 -16.653 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.736 3.657 -17.880 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.175 3.285 -16.926 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.243 6.396 -15.280 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.019 4.821 -15.469 1.00 0.00 H new ATOM 1174 N LEU A 73 -15.026 9.153 -22.171 1.00 0.00 N ATOM 1175 CA LEU A 73 -15.783 9.790 -23.256 1.00 0.00 C ATOM 1176 C LEU A 73 -17.264 9.742 -22.822 1.00 0.00 C ATOM 1177 O LEU A 73 -18.160 9.493 -23.626 1.00 0.00 O ATOM 1178 CB LEU A 73 -15.470 9.223 -24.668 1.00 0.00 C ATOM 1179 CG LEU A 73 -14.022 9.255 -25.222 1.00 0.00 C ATOM 1180 CD1 LEU A 73 -13.429 10.617 -25.585 1.00 0.00 C ATOM 1181 CD2 LEU A 73 -13.017 8.437 -24.412 1.00 0.00 C ATOM 0 H LEU A 73 -14.303 9.756 -21.779 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.480 10.828 -23.395 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.796 8.183 -24.677 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.099 9.760 -25.378 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.187 8.762 -26.180 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.413 10.484 -25.958 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.040 11.086 -26.356 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.410 11.253 -24.700 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.031 8.515 -24.870 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.975 8.819 -23.392 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.327 7.392 -24.396 1.00 0.00 H new ATOM 1325 N ILE B 677 -10.078 16.989 -32.533 1.00 0.00 N ATOM 1326 CA ILE B 677 -9.274 16.274 -31.533 1.00 0.00 C ATOM 1327 C ILE B 677 -8.372 17.330 -30.886 1.00 0.00 C ATOM 1328 O ILE B 677 -7.806 18.170 -31.599 1.00 0.00 O ATOM 1329 CB ILE B 677 -8.394 15.144 -32.139 1.00 0.00 C ATOM 1330 CG1 ILE B 677 -9.150 14.188 -33.086 1.00 0.00 C ATOM 1331 CG2 ILE B 677 -7.691 14.351 -31.012 1.00 0.00 C ATOM 1332 CD1 ILE B 677 -10.324 13.443 -32.453 1.00 0.00 C ATOM 0 HA ILE B 677 -9.939 15.782 -30.823 1.00 0.00 H new ATOM 0 HB ILE B 677 -7.652 15.644 -32.762 1.00 0.00 H new ATOM 0 HG12 ILE B 677 -9.519 14.761 -33.936 1.00 0.00 H new ATOM 0 HG13 ILE B 677 -8.444 13.456 -33.478 1.00 0.00 H new ATOM 0 HG21 ILE B 677 -7.078 13.563 -31.449 1.00 0.00 H new ATOM 0 HG22 ILE B 677 -7.058 15.024 -30.434 1.00 0.00 H new ATOM 0 HG23 ILE B 677 -8.441 13.906 -30.358 1.00 0.00 H new ATOM 0 HD11 ILE B 677 -10.789 12.798 -33.198 1.00 0.00 H new ATOM 0 HD12 ILE B 677 -9.964 12.837 -31.621 1.00 0.00 H new ATOM 0 HD13 ILE B 677 -11.057 14.162 -32.087 1.00 0.00 H new ATOM 1344 N THR B 678 -8.189 17.276 -29.569 1.00 0.00 N ATOM 1345 CA THR B 678 -7.241 18.108 -28.866 1.00 0.00 C ATOM 1346 C THR B 678 -6.438 17.257 -27.876 1.00 0.00 C ATOM 1347 O THR B 678 -6.891 16.226 -27.371 1.00 0.00 O ATOM 1348 CB THR B 678 -8.009 19.300 -28.273 1.00 0.00 C ATOM 1349 OG1 THR B 678 -7.119 20.361 -27.969 1.00 0.00 O ATOM 1350 CG2 THR B 678 -8.842 18.992 -27.027 1.00 0.00 C ATOM 0 H THR B 678 -8.706 16.642 -28.960 1.00 0.00 H new ATOM 0 HA THR B 678 -6.481 18.535 -29.521 1.00 0.00 H new ATOM 0 HB THR B 678 -8.717 19.578 -29.054 1.00 0.00 H new ATOM 0 HG1 THR B 678 -7.623 21.113 -27.594 1.00 0.00 H new ATOM 0 HG21 THR B 678 -9.342 19.900 -26.690 1.00 0.00 H new ATOM 0 HG22 THR B 678 -9.588 18.234 -27.266 1.00 0.00 H new ATOM 0 HG23 THR B 678 -8.190 18.622 -26.236 1.00 0.00 H new ATOM 1358 N PHE B 679 -5.211 17.716 -27.619 1.00 0.00 N ATOM 1359 CA PHE B 679 -4.236 17.084 -26.741 1.00 0.00 C ATOM 1360 C PHE B 679 -3.835 18.147 -25.704 1.00 0.00 C ATOM 1361 O PHE B 679 -2.876 18.895 -25.925 1.00 0.00 O ATOM 1362 CB PHE B 679 -3.068 16.510 -27.561 1.00 0.00 C ATOM 1363 CG PHE B 679 -3.391 15.204 -28.274 1.00 0.00 C ATOM 1364 CD1 PHE B 679 -3.347 13.972 -27.587 1.00 0.00 C ATOM 1365 CD2 PHE B 679 -3.727 15.213 -29.643 1.00 0.00 C ATOM 1366 CE1 PHE B 679 -3.628 12.768 -28.249 1.00 0.00 C ATOM 1367 CE2 PHE B 679 -3.997 14.004 -30.314 1.00 0.00 C ATOM 1368 CZ PHE B 679 -3.940 12.780 -29.621 1.00 0.00 C ATOM 0 H PHE B 679 -4.859 18.577 -28.038 1.00 0.00 H new ATOM 0 HA PHE B 679 -4.638 16.221 -26.211 1.00 0.00 H new ATOM 0 HB2 PHE B 679 -2.760 17.249 -28.301 1.00 0.00 H new ATOM 0 HB3 PHE B 679 -2.218 16.349 -26.898 1.00 0.00 H new ATOM 0 HD1 PHE B 679 -3.094 13.956 -26.537 1.00 0.00 H new ATOM 0 HD2 PHE B 679 -3.778 16.149 -30.179 1.00 0.00 H new ATOM 0 HE1 PHE B 679 -3.605 11.834 -27.707 1.00 0.00 H new ATOM 0 HE2 PHE B 679 -4.249 14.016 -31.364 1.00 0.00 H new ATOM 0 HZ PHE B 679 -4.135 11.853 -30.141 1.00 0.00 H new ATOM 1378 N PRO B 680 -4.633 18.312 -24.629 1.00 0.00 N ATOM 1379 CA PRO B 680 -4.454 19.339 -23.600 1.00 0.00 C ATOM 1380 C PRO B 680 -3.268 19.015 -22.686 1.00 0.00 C ATOM 1381 O PRO B 680 -2.626 17.976 -22.823 1.00 0.00 O ATOM 1382 CB PRO B 680 -5.772 19.307 -22.805 1.00 0.00 C ATOM 1383 CG PRO B 680 -6.106 17.820 -22.841 1.00 0.00 C ATOM 1384 CD PRO B 680 -5.773 17.477 -24.285 1.00 0.00 C ATOM 0 HA PRO B 680 -4.240 20.317 -24.030 1.00 0.00 H new ATOM 0 HB2 PRO B 680 -5.647 19.676 -21.787 1.00 0.00 H new ATOM 0 HB3 PRO B 680 -6.548 19.914 -23.271 1.00 0.00 H new ATOM 0 HG2 PRO B 680 -5.507 17.247 -22.133 1.00 0.00 H new ATOM 0 HG3 PRO B 680 -7.152 17.627 -22.603 1.00 0.00 H new ATOM 0 HD2 PRO B 680 -5.531 16.419 -24.392 1.00 0.00 H new ATOM 0 HD3 PRO B 680 -6.619 17.678 -24.942 1.00 0.00 H new ATOM 1392 N SER B 681 -3.072 19.822 -21.642 1.00 0.00 N ATOM 1393 CA SER B 681 -2.135 19.603 -20.537 1.00 0.00 C ATOM 1394 C SER B 681 -2.451 18.353 -19.683 1.00 0.00 C ATOM 1395 O SER B 681 -1.979 18.243 -18.553 1.00 0.00 O ATOM 1396 CB SER B 681 -2.114 20.870 -19.666 1.00 0.00 C ATOM 1397 OG SER B 681 -2.052 22.047 -20.470 1.00 0.00 O ATOM 0 H SER B 681 -3.591 20.694 -21.538 1.00 0.00 H new ATOM 0 HA SER B 681 -1.153 19.408 -20.968 1.00 0.00 H new ATOM 0 HB2 SER B 681 -3.007 20.900 -19.041 1.00 0.00 H new ATOM 0 HB3 SER B 681 -1.256 20.839 -18.995 1.00 0.00 H new ATOM 0 HG SER B 681 -2.042 22.838 -19.892 1.00 0.00 H new ATOM 1403 N ASP B 682 -3.244 17.408 -20.206 1.00 0.00 N ATOM 1404 CA ASP B 682 -3.618 16.159 -19.545 1.00 0.00 C ATOM 1405 C ASP B 682 -3.516 14.943 -20.470 1.00 0.00 C ATOM 1406 O ASP B 682 -3.373 13.824 -19.975 1.00 0.00 O ATOM 1407 CB ASP B 682 -5.045 16.244 -18.996 1.00 0.00 C ATOM 1408 CG ASP B 682 -5.201 17.256 -17.853 1.00 0.00 C ATOM 1409 OD1 ASP B 682 -5.462 18.450 -18.138 1.00 0.00 O ATOM 1410 OD2 ASP B 682 -5.098 16.855 -16.671 1.00 0.00 O ATOM 0 H ASP B 682 -3.655 17.500 -21.135 1.00 0.00 H new ATOM 0 HA ASP B 682 -2.907 16.024 -18.730 1.00 0.00 H new ATOM 0 HB2 ASP B 682 -5.722 16.515 -19.806 1.00 0.00 H new ATOM 0 HB3 ASP B 682 -5.349 15.259 -18.643 1.00 0.00 H new ATOM 1415 N ILE B 683 -3.580 15.114 -21.797 1.00 0.00 N ATOM 1416 CA ILE B 683 -3.509 14.037 -22.771 1.00 0.00 C ATOM 1417 C ILE B 683 -2.604 14.520 -23.915 1.00 0.00 C ATOM 1418 O ILE B 683 -2.838 15.599 -24.447 1.00 0.00 O ATOM 1419 CB ILE B 683 -4.935 13.641 -23.245 1.00 0.00 C ATOM 1420 CG1 ILE B 683 -5.801 12.912 -22.189 1.00 0.00 C ATOM 1421 CG2 ILE B 683 -4.862 12.742 -24.499 1.00 0.00 C ATOM 1422 CD1 ILE B 683 -6.335 13.658 -20.978 1.00 0.00 C ATOM 0 H ILE B 683 -3.685 16.033 -22.226 1.00 0.00 H new ATOM 0 HA ILE B 683 -3.082 13.131 -22.341 1.00 0.00 H new ATOM 0 HB ILE B 683 -5.420 14.595 -23.455 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -6.660 12.492 -22.712 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -5.214 12.073 -21.816 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -5.871 12.476 -24.815 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -4.360 13.280 -25.303 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -4.304 11.835 -24.265 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -6.917 12.976 -20.358 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -5.501 14.054 -20.398 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -6.970 14.480 -21.308 1.00 0.00 H new ATOM 1434 N ASP B 684 -1.590 13.743 -24.312 1.00 0.00 N ATOM 1435 CA ASP B 684 -0.579 14.063 -25.334 1.00 0.00 C ATOM 1436 C ASP B 684 -0.394 12.836 -26.244 1.00 0.00 C ATOM 1437 O ASP B 684 -0.538 11.708 -25.752 1.00 0.00 O ATOM 1438 CB ASP B 684 0.753 14.389 -24.657 1.00 0.00 C ATOM 1439 CG ASP B 684 1.893 14.641 -25.649 1.00 0.00 C ATOM 1440 OD1 ASP B 684 2.568 13.654 -26.029 1.00 0.00 O ATOM 1441 OD2 ASP B 684 2.124 15.818 -26.013 1.00 0.00 O ATOM 0 H ASP B 684 -1.442 12.819 -23.906 1.00 0.00 H new ATOM 0 HA ASP B 684 -0.906 14.923 -25.919 1.00 0.00 H new ATOM 0 HB2 ASP B 684 0.627 15.270 -24.028 1.00 0.00 H new ATOM 0 HB3 ASP B 684 1.029 13.565 -23.999 1.00 0.00 H new ATOM 1446 N PRO B 685 -0.082 12.997 -27.545 1.00 0.00 N ATOM 1447 CA PRO B 685 0.065 11.868 -28.447 1.00 0.00 C ATOM 1448 C PRO B 685 1.064 10.805 -27.983 1.00 0.00 C ATOM 1449 O PRO B 685 0.862 9.642 -28.310 1.00 0.00 O ATOM 1450 CB PRO B 685 0.470 12.453 -29.805 1.00 0.00 C ATOM 1451 CG PRO B 685 -0.088 13.872 -29.763 1.00 0.00 C ATOM 1452 CD PRO B 685 0.063 14.245 -28.290 1.00 0.00 C ATOM 0 HA PRO B 685 -0.881 11.329 -28.491 1.00 0.00 H new ATOM 0 HB2 PRO B 685 1.552 12.451 -29.936 1.00 0.00 H new ATOM 0 HB3 PRO B 685 0.048 11.880 -30.631 1.00 0.00 H new ATOM 0 HG2 PRO B 685 0.471 14.547 -30.411 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -1.128 13.908 -30.086 1.00 0.00 H new ATOM 0 HD2 PRO B 685 1.034 14.703 -28.100 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -0.695 14.969 -27.991 1.00 0.00 H new ATOM 1460 N GLN B 686 2.132 11.137 -27.243 1.00 0.00 N ATOM 1461 CA GLN B 686 3.170 10.151 -26.969 1.00 0.00 C ATOM 1462 C GLN B 686 2.641 9.001 -26.101 1.00 0.00 C ATOM 1463 O GLN B 686 2.802 7.845 -26.493 1.00 0.00 O ATOM 1464 CB GLN B 686 4.495 10.796 -26.501 1.00 0.00 C ATOM 1465 CG GLN B 686 5.064 10.380 -25.130 1.00 0.00 C ATOM 1466 CD GLN B 686 4.441 11.041 -23.896 1.00 0.00 C ATOM 1467 OE1 GLN B 686 4.704 10.616 -22.773 1.00 0.00 O ATOM 1468 NE2 GLN B 686 3.600 12.051 -24.027 1.00 0.00 N ATOM 0 H GLN B 686 2.292 12.058 -26.836 1.00 0.00 H new ATOM 0 HA GLN B 686 3.446 9.675 -27.910 1.00 0.00 H new ATOM 0 HB2 GLN B 686 5.253 10.583 -27.255 1.00 0.00 H new ATOM 0 HB3 GLN B 686 4.353 11.877 -26.488 1.00 0.00 H new ATOM 0 HG2 GLN B 686 4.954 9.300 -25.030 1.00 0.00 H new ATOM 0 HG3 GLN B 686 6.133 10.593 -25.127 1.00 0.00 H new ATOM 0 HE21 GLN B 686 3.376 12.411 -24.955 1.00 0.00 H new ATOM 0 HE22 GLN B 686 3.175 12.471 -23.200 1.00 0.00 H new ATOM 1477 N VAL B 687 1.948 9.257 -24.976 1.00 0.00 N ATOM 1478 CA VAL B 687 1.363 8.170 -24.207 1.00 0.00 C ATOM 1479 C VAL B 687 0.350 7.453 -25.082 1.00 0.00 C ATOM 1480 O VAL B 687 0.248 6.238 -24.990 1.00 0.00 O ATOM 1481 CB VAL B 687 0.705 8.704 -22.936 1.00 0.00 C ATOM 1482 CG1 VAL B 687 0.421 7.556 -21.961 1.00 0.00 C ATOM 1483 CG2 VAL B 687 1.606 9.718 -22.232 1.00 0.00 C ATOM 0 H VAL B 687 1.788 10.189 -24.595 1.00 0.00 H new ATOM 0 HA VAL B 687 2.141 7.471 -23.902 1.00 0.00 H new ATOM 0 HB VAL B 687 -0.226 9.189 -23.231 1.00 0.00 H new ATOM 0 HG11 VAL B 687 -0.048 7.951 -21.060 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -0.248 6.836 -22.432 1.00 0.00 H new ATOM 0 HG13 VAL B 687 1.357 7.063 -21.697 1.00 0.00 H new ATOM 0 HG21 VAL B 687 1.111 10.080 -21.331 1.00 0.00 H new ATOM 0 HG22 VAL B 687 2.548 9.241 -21.962 1.00 0.00 H new ATOM 0 HG23 VAL B 687 1.802 10.556 -22.900 1.00 0.00 H new ATOM 1493 N PHE B 688 -0.360 8.171 -25.957 1.00 0.00 N ATOM 1494 CA PHE B 688 -1.337 7.555 -26.831 1.00 0.00 C ATOM 1495 C PHE B 688 -0.687 6.551 -27.789 1.00 0.00 C ATOM 1496 O PHE B 688 -1.235 5.473 -28.028 1.00 0.00 O ATOM 1497 CB PHE B 688 -2.115 8.653 -27.569 1.00 0.00 C ATOM 1498 CG PHE B 688 -3.463 8.218 -28.085 1.00 0.00 C ATOM 1499 CD1 PHE B 688 -4.374 7.614 -27.203 1.00 0.00 C ATOM 1500 CD2 PHE B 688 -3.835 8.474 -29.414 1.00 0.00 C ATOM 1501 CE1 PHE B 688 -5.667 7.284 -27.628 1.00 0.00 C ATOM 1502 CE2 PHE B 688 -5.117 8.101 -29.858 1.00 0.00 C ATOM 1503 CZ PHE B 688 -6.025 7.500 -28.966 1.00 0.00 C ATOM 0 H PHE B 688 -0.269 9.180 -26.072 1.00 0.00 H new ATOM 0 HA PHE B 688 -2.041 6.977 -26.233 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -2.252 9.499 -26.896 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -1.515 9.006 -28.407 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -4.075 7.402 -26.187 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -3.143 8.953 -30.090 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -6.381 6.868 -26.932 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -5.405 8.276 -30.884 1.00 0.00 H new ATOM 0 HZ PHE B 688 -7.003 7.204 -29.315 1.00 0.00 H new ATOM 1513 N TYR B 689 0.496 6.872 -28.309 1.00 0.00 N ATOM 1514 CA TYR B 689 1.291 6.009 -29.170 1.00 0.00 C ATOM 1515 C TYR B 689 1.920 4.848 -28.406 1.00 0.00 C ATOM 1516 O TYR B 689 2.276 3.840 -29.021 1.00 0.00 O ATOM 1517 CB TYR B 689 2.402 6.827 -29.835 1.00 0.00 C ATOM 1518 CG TYR B 689 1.964 7.976 -30.724 1.00 0.00 C ATOM 1519 CD1 TYR B 689 0.683 8.000 -31.316 1.00 0.00 C ATOM 1520 CD2 TYR B 689 2.871 9.019 -30.989 1.00 0.00 C ATOM 1521 CE1 TYR B 689 0.319 9.046 -32.180 1.00 0.00 C ATOM 1522 CE2 TYR B 689 2.512 10.071 -31.853 1.00 0.00 C ATOM 1523 CZ TYR B 689 1.237 10.084 -32.461 1.00 0.00 C ATOM 1524 OH TYR B 689 0.873 11.092 -33.307 1.00 0.00 O ATOM 0 H TYR B 689 0.940 7.773 -28.134 1.00 0.00 H new ATOM 0 HA TYR B 689 0.618 5.592 -29.919 1.00 0.00 H new ATOM 0 HB2 TYR B 689 3.044 7.229 -29.051 1.00 0.00 H new ATOM 0 HB3 TYR B 689 3.013 6.149 -30.431 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -0.022 7.209 -31.103 1.00 0.00 H new ATOM 0 HD2 TYR B 689 3.847 9.012 -30.527 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -0.663 9.057 -32.630 1.00 0.00 H new ATOM 0 HE2 TYR B 689 3.212 10.869 -32.051 1.00 0.00 H new ATOM 0 HH TYR B 689 1.614 11.728 -33.396 1.00 0.00 H new ATOM 1534 N GLU B 690 2.064 4.979 -27.090 1.00 0.00 N ATOM 1535 CA GLU B 690 2.842 4.061 -26.281 1.00 0.00 C ATOM 1536 C GLU B 690 1.952 3.092 -25.495 1.00 0.00 C ATOM 1537 O GLU B 690 2.367 1.956 -25.237 1.00 0.00 O ATOM 1538 CB GLU B 690 3.704 4.957 -25.381 1.00 0.00 C ATOM 1539 CG GLU B 690 4.279 4.305 -24.129 1.00 0.00 C ATOM 1540 CD GLU B 690 5.238 3.123 -24.373 1.00 0.00 C ATOM 1541 OE1 GLU B 690 5.864 3.029 -25.456 1.00 0.00 O ATOM 1542 OE2 GLU B 690 5.399 2.285 -23.453 1.00 0.00 O ATOM 0 H GLU B 690 1.637 5.735 -26.555 1.00 0.00 H new ATOM 0 HA GLU B 690 3.466 3.405 -26.888 1.00 0.00 H new ATOM 0 HB2 GLU B 690 4.531 5.344 -25.976 1.00 0.00 H new ATOM 0 HB3 GLU B 690 3.103 5.814 -25.075 1.00 0.00 H new ATOM 0 HG2 GLU B 690 4.808 5.066 -23.555 1.00 0.00 H new ATOM 0 HG3 GLU B 690 3.452 3.957 -23.510 1.00 0.00 H new ATOM 1549 N LEU B 691 0.734 3.509 -25.129 1.00 0.00 N ATOM 1550 CA LEU B 691 -0.268 2.610 -24.571 1.00 0.00 C ATOM 1551 C LEU B 691 -0.663 1.557 -25.616 1.00 0.00 C ATOM 1552 O LEU B 691 -0.308 1.665 -26.793 1.00 0.00 O ATOM 1553 CB LEU B 691 -1.447 3.402 -23.956 1.00 0.00 C ATOM 1554 CG LEU B 691 -2.361 4.254 -24.857 1.00 0.00 C ATOM 1555 CD1 LEU B 691 -3.123 3.457 -25.904 1.00 0.00 C ATOM 1556 CD2 LEU B 691 -3.384 4.975 -23.965 1.00 0.00 C ATOM 0 H LEU B 691 0.422 4.476 -25.213 1.00 0.00 H new ATOM 0 HA LEU B 691 0.149 2.053 -23.732 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -2.083 2.685 -23.437 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -1.030 4.066 -23.198 1.00 0.00 H new ATOM 0 HG LEU B 691 -1.711 4.943 -25.397 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -3.742 4.132 -26.495 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -2.416 2.946 -26.558 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -3.758 2.721 -25.410 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -4.042 5.585 -24.585 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -3.977 4.238 -23.422 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -2.860 5.614 -23.254 1.00 0.00 H new ATOM 1568 N ALA B 692 -1.397 0.536 -25.160 1.00 0.00 N ATOM 1569 CA ALA B 692 -1.828 -0.586 -25.990 1.00 0.00 C ATOM 1570 C ALA B 692 -2.484 -0.084 -27.273 1.00 0.00 C ATOM 1571 O ALA B 692 -3.434 0.695 -27.215 1.00 0.00 O ATOM 1572 CB ALA B 692 -2.800 -1.455 -25.183 1.00 0.00 C ATOM 0 H ALA B 692 -1.710 0.468 -24.192 1.00 0.00 H new ATOM 0 HA ALA B 692 -0.962 -1.183 -26.276 1.00 0.00 H new ATOM 0 HB1 ALA B 692 -3.129 -2.296 -25.793 1.00 0.00 H new ATOM 0 HB2 ALA B 692 -2.299 -1.828 -24.290 1.00 0.00 H new ATOM 0 HB3 ALA B 692 -3.665 -0.859 -24.891 1.00 0.00 H new ATOM 1578 N GLU B 693 -2.027 -0.562 -28.430 1.00 0.00 N ATOM 1579 CA GLU B 693 -2.524 -0.094 -29.722 1.00 0.00 C ATOM 1580 C GLU B 693 -4.027 -0.267 -29.814 1.00 0.00 C ATOM 1581 O GLU B 693 -4.721 0.639 -30.256 1.00 0.00 O ATOM 1582 CB GLU B 693 -1.873 -0.885 -30.856 1.00 0.00 C ATOM 1583 CG GLU B 693 -0.460 -0.348 -31.142 1.00 0.00 C ATOM 1584 CD GLU B 693 0.261 -1.192 -32.210 1.00 0.00 C ATOM 1585 OE1 GLU B 693 0.096 -0.916 -33.424 1.00 0.00 O ATOM 1586 OE2 GLU B 693 1.002 -2.137 -31.846 1.00 0.00 O ATOM 0 H GLU B 693 -1.306 -1.280 -28.498 1.00 0.00 H new ATOM 0 HA GLU B 693 -2.274 0.963 -29.812 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -1.821 -1.940 -30.588 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -2.485 -0.814 -31.755 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -0.524 0.687 -31.478 1.00 0.00 H new ATOM 0 HG3 GLU B 693 0.124 -0.349 -30.221 1.00 0.00 H new ATOM 1593 N ALA B 694 -4.550 -1.394 -29.333 1.00 0.00 N ATOM 1594 CA ALA B 694 -5.970 -1.663 -29.446 1.00 0.00 C ATOM 1595 C ALA B 694 -6.789 -0.625 -28.658 1.00 0.00 C ATOM 1596 O ALA B 694 -7.853 -0.202 -29.105 1.00 0.00 O ATOM 1597 CB ALA B 694 -6.244 -3.087 -28.963 1.00 0.00 C ATOM 0 H ALA B 694 -4.012 -2.125 -28.867 1.00 0.00 H new ATOM 0 HA ALA B 694 -6.279 -1.580 -30.488 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -7.310 -3.300 -29.044 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -5.685 -3.793 -29.577 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -5.932 -3.185 -27.923 1.00 0.00 H new ATOM 1603 N VAL B 695 -6.265 -0.171 -27.510 1.00 0.00 N ATOM 1604 CA VAL B 695 -6.851 0.911 -26.722 1.00 0.00 C ATOM 1605 C VAL B 695 -6.766 2.205 -27.529 1.00 0.00 C ATOM 1606 O VAL B 695 -7.773 2.898 -27.628 1.00 0.00 O ATOM 1607 CB VAL B 695 -6.165 0.991 -25.339 1.00 0.00 C ATOM 1608 CG1 VAL B 695 -6.296 2.345 -24.627 1.00 0.00 C ATOM 1609 CG2 VAL B 695 -6.737 -0.079 -24.403 1.00 0.00 C ATOM 0 H VAL B 695 -5.412 -0.553 -27.102 1.00 0.00 H new ATOM 0 HA VAL B 695 -7.906 0.725 -26.519 1.00 0.00 H new ATOM 0 HB VAL B 695 -5.107 0.836 -25.550 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -5.783 2.302 -23.666 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -5.848 3.125 -25.243 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -7.350 2.571 -24.466 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -6.246 -0.013 -23.432 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -7.808 0.080 -24.280 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -6.564 -1.067 -24.831 1.00 0.00 H new ATOM 1619 N GLN B 696 -5.616 2.535 -28.126 1.00 0.00 N ATOM 1620 CA GLN B 696 -5.464 3.740 -28.935 1.00 0.00 C ATOM 1621 C GLN B 696 -6.485 3.747 -30.068 1.00 0.00 C ATOM 1622 O GLN B 696 -7.158 4.753 -30.251 1.00 0.00 O ATOM 1623 CB GLN B 696 -4.034 3.812 -29.480 1.00 0.00 C ATOM 1624 CG GLN B 696 -3.736 5.026 -30.364 1.00 0.00 C ATOM 1625 CD GLN B 696 -2.528 4.746 -31.250 1.00 0.00 C ATOM 1626 OE1 GLN B 696 -2.620 4.740 -32.476 1.00 0.00 O ATOM 1627 NE2 GLN B 696 -1.385 4.458 -30.650 1.00 0.00 N ATOM 0 H GLN B 696 -4.768 1.972 -28.060 1.00 0.00 H new ATOM 0 HA GLN B 696 -5.646 4.619 -28.317 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -3.341 3.816 -28.639 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -3.834 2.907 -30.053 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -4.604 5.257 -30.982 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -3.545 5.900 -29.742 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -1.327 4.468 -29.632 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -0.562 4.226 -31.206 1.00 0.00 H new ATOM 1636 N LYS B 697 -6.638 2.648 -30.813 1.00 0.00 N ATOM 1637 CA LYS B 697 -7.576 2.584 -31.935 1.00 0.00 C ATOM 1638 C LYS B 697 -9.001 2.802 -31.445 1.00 0.00 C ATOM 1639 O LYS B 697 -9.734 3.598 -32.032 1.00 0.00 O ATOM 1640 CB LYS B 697 -7.487 1.216 -32.639 1.00 0.00 C ATOM 1641 CG LYS B 697 -6.135 0.938 -33.316 1.00 0.00 C ATOM 1642 CD LYS B 697 -5.719 1.922 -34.423 1.00 0.00 C ATOM 1643 CE LYS B 697 -6.775 2.041 -35.541 1.00 0.00 C ATOM 1644 NZ LYS B 697 -6.252 2.763 -36.735 1.00 0.00 N ATOM 0 H LYS B 697 -6.119 1.784 -30.656 1.00 0.00 H new ATOM 0 HA LYS B 697 -7.310 3.369 -32.643 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -7.682 0.431 -31.908 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -8.275 1.155 -33.390 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -5.361 0.937 -32.549 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -6.164 -0.065 -33.741 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -5.548 2.905 -33.984 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -4.773 1.597 -34.856 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -7.103 1.044 -35.836 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -7.651 2.564 -35.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -6.995 2.819 -37.460 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -5.963 3.724 -36.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -5.432 2.251 -37.119 1.00 0.00 H new ATOM 1658 N GLU B 698 -9.385 2.095 -30.384 1.00 0.00 N ATOM 1659 CA GLU B 698 -10.754 2.157 -29.886 1.00 0.00 C ATOM 1660 C GLU B 698 -11.060 3.563 -29.337 1.00 0.00 C ATOM 1661 O GLU B 698 -12.104 4.135 -29.652 1.00 0.00 O ATOM 1662 CB GLU B 698 -10.971 1.044 -28.855 1.00 0.00 C ATOM 1663 CG GLU B 698 -12.448 0.897 -28.451 1.00 0.00 C ATOM 1664 CD GLU B 698 -12.697 1.360 -27.008 1.00 0.00 C ATOM 1665 OE1 GLU B 698 -12.567 2.565 -26.699 1.00 0.00 O ATOM 1666 OE2 GLU B 698 -13.010 0.504 -26.145 1.00 0.00 O ATOM 0 H GLU B 698 -8.770 1.476 -29.856 1.00 0.00 H new ATOM 0 HA GLU B 698 -11.461 1.987 -30.698 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -10.614 0.099 -29.264 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -10.374 1.253 -27.968 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -13.070 1.479 -29.131 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -12.751 -0.145 -28.555 1.00 0.00 H new ATOM 1673 N LEU B 699 -10.103 4.149 -28.611 1.00 0.00 N ATOM 1674 CA LEU B 699 -10.178 5.510 -28.094 1.00 0.00 C ATOM 1675 C LEU B 699 -10.307 6.474 -29.247 1.00 0.00 C ATOM 1676 O LEU B 699 -11.225 7.269 -29.251 1.00 0.00 O ATOM 1677 CB LEU B 699 -8.916 5.878 -27.299 1.00 0.00 C ATOM 1678 CG LEU B 699 -8.980 5.419 -25.839 1.00 0.00 C ATOM 1679 CD1 LEU B 699 -7.581 5.397 -25.217 1.00 0.00 C ATOM 1680 CD2 LEU B 699 -9.856 6.370 -25.010 1.00 0.00 C ATOM 0 H LEU B 699 -9.235 3.674 -28.363 1.00 0.00 H new ATOM 0 HA LEU B 699 -11.043 5.570 -27.433 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -8.046 5.429 -27.779 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -8.775 6.958 -27.330 1.00 0.00 H new ATOM 0 HG LEU B 699 -9.407 4.416 -25.831 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -7.649 5.068 -24.180 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -6.946 4.709 -25.775 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -7.151 6.398 -25.253 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -9.889 6.026 -23.976 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -9.436 7.375 -25.045 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -10.866 6.384 -25.420 1.00 0.00 H new ATOM 1692 N LEU B 700 -9.414 6.406 -30.226 1.00 0.00 N ATOM 1693 CA LEU B 700 -9.364 7.337 -31.337 1.00 0.00 C ATOM 1694 C LEU B 700 -10.673 7.345 -32.107 1.00 0.00 C ATOM 1695 O LEU B 700 -11.145 8.410 -32.494 1.00 0.00 O ATOM 1696 CB LEU B 700 -8.203 6.921 -32.238 1.00 0.00 C ATOM 1697 CG LEU B 700 -8.015 7.795 -33.490 1.00 0.00 C ATOM 1698 CD1 LEU B 700 -7.827 9.271 -33.124 1.00 0.00 C ATOM 1699 CD2 LEU B 700 -6.785 7.286 -34.244 1.00 0.00 C ATOM 0 H LEU B 700 -8.692 5.687 -30.267 1.00 0.00 H new ATOM 0 HA LEU B 700 -9.212 8.351 -30.968 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -7.282 6.943 -31.655 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -8.357 5.889 -32.552 1.00 0.00 H new ATOM 0 HG LEU B 700 -8.908 7.726 -34.111 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -7.697 9.858 -34.033 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -8.705 9.627 -32.585 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -6.945 9.380 -32.493 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -6.630 7.891 -35.138 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -5.908 7.358 -33.601 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -6.939 6.246 -34.532 1.00 0.00 H new ATOM 1711 N ALA B 701 -11.269 6.171 -32.312 1.00 0.00 N ATOM 1712 CA ALA B 701 -12.585 6.075 -32.914 1.00 0.00 C ATOM 1713 C ALA B 701 -13.600 6.842 -32.063 1.00 0.00 C ATOM 1714 O ALA B 701 -14.327 7.670 -32.600 1.00 0.00 O ATOM 1715 CB ALA B 701 -12.981 4.606 -33.096 1.00 0.00 C ATOM 0 H ALA B 701 -10.853 5.273 -32.066 1.00 0.00 H new ATOM 0 HA ALA B 701 -12.568 6.530 -33.904 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -13.971 4.549 -33.549 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -12.257 4.112 -33.744 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -12.997 4.111 -32.125 1.00 0.00 H new ATOM 1721 N GLU B 702 -13.606 6.653 -30.743 1.00 0.00 N ATOM 1722 CA GLU B 702 -14.432 7.434 -29.824 1.00 0.00 C ATOM 1723 C GLU B 702 -14.155 8.926 -30.006 1.00 0.00 C ATOM 1724 O GLU B 702 -15.080 9.717 -30.189 1.00 0.00 O ATOM 1725 CB GLU B 702 -14.158 6.999 -28.370 1.00 0.00 C ATOM 1726 CG GLU B 702 -15.382 7.094 -27.448 1.00 0.00 C ATOM 1727 CD GLU B 702 -16.544 6.168 -27.836 1.00 0.00 C ATOM 1728 OE1 GLU B 702 -16.421 4.925 -27.731 1.00 0.00 O ATOM 1729 OE2 GLU B 702 -17.609 6.684 -28.243 1.00 0.00 O ATOM 0 H GLU B 702 -13.033 5.948 -30.279 1.00 0.00 H new ATOM 0 HA GLU B 702 -15.484 7.252 -30.046 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -13.796 5.971 -28.371 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -13.359 7.618 -27.961 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -15.073 6.861 -26.429 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -15.740 8.124 -27.445 1.00 0.00 H new ATOM 1736 N TRP B 703 -12.884 9.332 -30.013 1.00 0.00 N ATOM 1737 CA TRP B 703 -12.494 10.722 -30.004 1.00 0.00 C ATOM 1738 C TRP B 703 -12.904 11.416 -31.310 1.00 0.00 C ATOM 1739 O TRP B 703 -13.296 12.581 -31.296 1.00 0.00 O ATOM 1740 CB TRP B 703 -10.972 10.780 -29.769 1.00 0.00 C ATOM 1741 CG TRP B 703 -10.353 10.122 -28.553 1.00 0.00 C ATOM 1742 CD1 TRP B 703 -10.966 9.535 -27.497 1.00 0.00 C ATOM 1743 CD2 TRP B 703 -8.946 10.113 -28.189 1.00 0.00 C ATOM 1744 NE1 TRP B 703 -10.057 9.227 -26.502 1.00 0.00 N ATOM 1745 CE2 TRP B 703 -8.803 9.617 -26.864 1.00 0.00 C ATOM 1746 CE3 TRP B 703 -7.785 10.573 -28.821 1.00 0.00 C ATOM 1747 CZ2 TRP B 703 -7.618 9.694 -26.140 1.00 0.00 C ATOM 1748 CZ3 TRP B 703 -6.568 10.651 -28.114 1.00 0.00 C ATOM 1749 CH2 TRP B 703 -6.491 10.253 -26.763 1.00 0.00 C ATOM 0 H TRP B 703 -12.094 8.687 -30.025 1.00 0.00 H new ATOM 0 HA TRP B 703 -13.005 11.259 -29.205 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -10.495 10.345 -30.647 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -10.691 11.833 -29.742 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -12.026 9.334 -27.440 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -10.292 8.771 -25.620 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -7.822 10.871 -29.859 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -7.566 9.333 -25.124 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -5.684 11.020 -28.613 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -5.571 10.378 -26.211 1.00 0.00 H new ATOM 1760 N LYS B 704 -12.872 10.700 -32.441 1.00 0.00 N ATOM 1761 CA LYS B 704 -13.183 11.256 -33.756 1.00 0.00 C ATOM 1762 C LYS B 704 -14.663 11.139 -34.105 1.00 0.00 C ATOM 1763 O LYS B 704 -15.132 11.888 -34.960 1.00 0.00 O ATOM 1764 CB LYS B 704 -12.282 10.622 -34.840 1.00 0.00 C ATOM 1765 CG LYS B 704 -12.795 9.296 -35.425 1.00 0.00 C ATOM 1766 CD LYS B 704 -11.823 8.734 -36.472 1.00 0.00 C ATOM 1767 CE LYS B 704 -12.415 7.484 -37.144 1.00 0.00 C ATOM 1768 NZ LYS B 704 -11.562 6.977 -38.257 1.00 0.00 N ATOM 0 H LYS B 704 -12.627 9.710 -32.465 1.00 0.00 H new ATOM 0 HA LYS B 704 -12.968 12.324 -33.719 1.00 0.00 H new ATOM 0 HB2 LYS B 704 -12.162 11.337 -35.654 1.00 0.00 H new ATOM 0 HB3 LYS B 704 -11.293 10.454 -34.415 1.00 0.00 H new ATOM 0 HG2 LYS B 704 -12.928 8.570 -34.623 1.00 0.00 H new ATOM 0 HG3 LYS B 704 -13.773 9.451 -35.880 1.00 0.00 H new ATOM 0 HD2 LYS B 704 -11.612 9.493 -37.225 1.00 0.00 H new ATOM 0 HD3 LYS B 704 -10.874 8.484 -35.998 1.00 0.00 H new ATOM 0 HE2 LYS B 704 -12.539 6.699 -36.398 1.00 0.00 H new ATOM 0 HE3 LYS B 704 -13.408 7.718 -37.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 704 -12.004 6.134 -38.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 704 -11.464 7.715 -38.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 704 -10.622 6.727 -37.888 1.00 0.00 H new ATOM 1782 N ARG B 705 -15.405 10.222 -33.475 1.00 0.00 N ATOM 1783 CA ARG B 705 -16.814 10.001 -33.833 1.00 0.00 C ATOM 1784 C ARG B 705 -17.698 10.974 -33.064 1.00 0.00 C ATOM 1785 O ARG B 705 -18.707 11.438 -33.586 1.00 0.00 O ATOM 1786 CB ARG B 705 -17.220 8.527 -33.668 1.00 0.00 C ATOM 1787 CG ARG B 705 -17.488 8.077 -32.227 1.00 0.00 C ATOM 1788 CD ARG B 705 -17.366 6.558 -32.120 1.00 0.00 C ATOM 1789 NE ARG B 705 -17.998 6.056 -30.891 1.00 0.00 N ATOM 1790 CZ ARG B 705 -18.833 5.023 -30.741 1.00 0.00 C ATOM 1791 NH1 ARG B 705 -19.271 4.308 -31.776 1.00 0.00 N ATOM 1792 NH2 ARG B 705 -19.214 4.733 -29.506 1.00 0.00 N ATOM 0 H ARG B 705 -15.060 9.626 -32.723 1.00 0.00 H new ATOM 0 HA ARG B 705 -16.955 10.211 -34.893 1.00 0.00 H new ATOM 0 HB2 ARG B 705 -18.117 8.346 -34.260 1.00 0.00 H new ATOM 0 HB3 ARG B 705 -16.431 7.901 -34.085 1.00 0.00 H new ATOM 0 HG2 ARG B 705 -16.779 8.555 -31.551 1.00 0.00 H new ATOM 0 HG3 ARG B 705 -18.485 8.392 -31.919 1.00 0.00 H new ATOM 0 HD2 ARG B 705 -17.832 6.092 -32.988 1.00 0.00 H new ATOM 0 HD3 ARG B 705 -16.314 6.274 -32.132 1.00 0.00 H new ATOM 0 HE ARG B 705 -17.768 6.565 -30.037 1.00 0.00 H new ATOM 0 HH11 ARG B 705 -18.969 4.542 -32.722 1.00 0.00 H new ATOM 0 HH12 ARG B 705 -19.908 3.526 -31.623 1.00 0.00 H new ATOM 0 HH21 ARG B 705 -18.871 5.289 -28.723 1.00 0.00 H new ATOM 0 HH22 ARG B 705 -19.851 3.954 -29.338 1.00 0.00 H new ATOM 1806 N THR B 706 -17.282 11.304 -31.839 1.00 0.00 N ATOM 1807 CA THR B 706 -17.865 12.382 -31.058 1.00 0.00 C ATOM 1808 C THR B 706 -17.600 13.690 -31.811 1.00 0.00 C ATOM 1809 O THR B 706 -18.457 14.573 -31.880 1.00 0.00 O ATOM 1810 CB THR B 706 -17.252 12.356 -29.651 1.00 0.00 C ATOM 1811 OG1 THR B 706 -15.841 12.371 -29.739 1.00 0.00 O ATOM 1812 CG2 THR B 706 -17.646 11.072 -28.924 1.00 0.00 C ATOM 0 H THR B 706 -16.521 10.820 -31.362 1.00 0.00 H new ATOM 0 HA THR B 706 -18.943 12.277 -30.934 1.00 0.00 H new ATOM 0 HB THR B 706 -17.618 13.229 -29.111 1.00 0.00 H new ATOM 0 HG1 THR B 706 -15.508 11.452 -29.816 1.00 0.00 H new ATOM 0 HG21 THR B 706 -17.204 11.068 -27.928 1.00 0.00 H new ATOM 0 HG22 THR B 706 -18.731 11.020 -28.840 1.00 0.00 H new ATOM 0 HG23 THR B 706 -17.284 10.210 -29.485 1.00 0.00 H new ATOM 1820 N GLY B 707 -16.413 13.774 -32.431 1.00 0.00 N ATOM 1821 CA GLY B 707 -16.031 14.806 -33.379 1.00 0.00 C ATOM 1822 C GLY B 707 -15.107 15.836 -32.746 1.00 0.00 C ATOM 1823 O GLY B 707 -14.122 16.254 -33.357 1.00 0.00 O ATOM 0 H GLY B 707 -15.671 13.093 -32.272 1.00 0.00 H new ATOM 0 HA2 GLY B 707 -15.534 14.349 -34.235 1.00 0.00 H new ATOM 0 HA3 GLY B 707 -16.925 15.302 -33.757 1.00 0.00 H new ATOM 1827 N SER B 708 -15.385 16.186 -31.492 1.00 0.00 N ATOM 1828 CA SER B 708 -14.647 17.156 -30.701 1.00 0.00 C ATOM 1829 C SER B 708 -14.085 16.511 -29.428 1.00 0.00 C ATOM 1830 O SER B 708 -13.670 17.230 -28.521 1.00 0.00 O ATOM 1831 CB SER B 708 -15.589 18.336 -30.415 1.00 0.00 C ATOM 1832 OG SER B 708 -16.840 17.883 -29.905 1.00 0.00 O ATOM 0 H SER B 708 -16.168 15.780 -30.980 1.00 0.00 H new ATOM 0 HA SER B 708 -13.777 17.525 -31.245 1.00 0.00 H new ATOM 0 HB2 SER B 708 -15.123 19.011 -29.697 1.00 0.00 H new ATOM 0 HB3 SER B 708 -15.751 18.906 -31.330 1.00 0.00 H new ATOM 0 HG SER B 708 -17.420 18.653 -29.730 1.00 0.00 H new ATOM 1838 N ASP B 709 -14.094 15.164 -29.356 1.00 0.00 N ATOM 1839 CA ASP B 709 -13.658 14.345 -28.221 1.00 0.00 C ATOM 1840 C ASP B 709 -14.308 14.718 -26.874 1.00 0.00 C ATOM 1841 O ASP B 709 -13.865 14.269 -25.814 1.00 0.00 O ATOM 1842 CB ASP B 709 -12.125 14.242 -28.162 1.00 0.00 C ATOM 1843 CG ASP B 709 -11.341 15.476 -27.623 1.00 0.00 C ATOM 1844 OD1 ASP B 709 -11.641 16.049 -26.542 1.00 0.00 O ATOM 1845 OD2 ASP B 709 -10.328 15.825 -28.285 1.00 0.00 O ATOM 0 H ASP B 709 -14.425 14.593 -30.134 1.00 0.00 H new ATOM 0 HA ASP B 709 -14.038 13.341 -28.410 1.00 0.00 H new ATOM 0 HB2 ASP B 709 -11.869 13.384 -27.541 1.00 0.00 H new ATOM 0 HB3 ASP B 709 -11.763 14.027 -29.168 1.00 0.00 H new ATOM 1850 N PHE B 710 -15.433 15.445 -26.922 1.00 0.00 N ATOM 1851 CA PHE B 710 -16.126 16.113 -25.836 1.00 0.00 C ATOM 1852 C PHE B 710 -15.234 17.157 -25.142 1.00 0.00 C ATOM 1853 O PHE B 710 -15.483 18.357 -25.284 1.00 0.00 O ATOM 1854 CB PHE B 710 -16.726 15.095 -24.865 1.00 0.00 C ATOM 1855 CG PHE B 710 -17.791 14.182 -25.446 1.00 0.00 C ATOM 1856 CD1 PHE B 710 -18.986 14.723 -25.961 1.00 0.00 C ATOM 1857 CD2 PHE B 710 -17.612 12.786 -25.428 1.00 0.00 C ATOM 1858 CE1 PHE B 710 -20.001 13.873 -26.432 1.00 0.00 C ATOM 1859 CE2 PHE B 710 -18.638 11.937 -25.876 1.00 0.00 C ATOM 1860 CZ PHE B 710 -19.834 12.479 -26.376 1.00 0.00 C ATOM 0 H PHE B 710 -15.917 15.587 -27.808 1.00 0.00 H new ATOM 0 HA PHE B 710 -16.959 16.674 -26.259 1.00 0.00 H new ATOM 0 HB2 PHE B 710 -15.919 14.477 -24.470 1.00 0.00 H new ATOM 0 HB3 PHE B 710 -17.156 15.635 -24.021 1.00 0.00 H new ATOM 0 HD1 PHE B 710 -19.122 15.794 -25.994 1.00 0.00 H new ATOM 0 HD2 PHE B 710 -16.684 12.366 -25.069 1.00 0.00 H new ATOM 0 HE1 PHE B 710 -20.910 14.292 -26.837 1.00 0.00 H new ATOM 0 HE2 PHE B 710 -18.507 10.866 -25.836 1.00 0.00 H new ATOM 0 HZ PHE B 710 -20.623 11.825 -26.717 1.00 0.00 H new