USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 815 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc=-0.00675 USER MOD Single : A 9 MET CE :methyl -157:sc= -0.194 (180deg=-1.24) USER MOD Single : A 10 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.7) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -76:sc= 0.59 USER MOD Single : A 17 THR OG1 : rot -120:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -1.25 (180deg=-1.25) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.0049) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.033) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -116:sc= -0.488 (180deg=-2.47!) USER MOD Single : A 48 GLN : amide:sc= -5.34! C(o=-5.3!,f=-7.3!) USER MOD Single : A 49 GLN : amide:sc= -3.58 K(o=-3.6,f=-7.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.059) USER MOD Single : A 63 THR OG1 : rot 56:sc= 0.528 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -175:sc= 1.22 USER MOD Single : A 68 ASN : amide:sc= -0.0422 X(o=-0.042,f=-0.042) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -140:sc= 0.573 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 96 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-1.3) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot -56:sc= 1.13 USER MOD Single : A 103 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.795 13.258 -3.595 1.00 0.00 N ATOM 2 CA GLY A 1 -5.313 13.149 -2.231 1.00 0.00 C ATOM 3 C GLY A 1 -3.884 13.631 -2.081 1.00 0.00 C ATOM 4 O GLY A 1 -3.571 14.777 -2.404 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.776 12.916 -3.645 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.759 14.252 -3.897 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.196 12.684 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.960 13.729 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.379 12.110 -1.908 1.00 0.00 H new ATOM 8 N SER A 2 -3.014 12.755 -1.586 1.00 0.00 N ATOM 9 CA SER A 2 -1.611 13.100 -1.388 1.00 0.00 C ATOM 10 C SER A 2 -0.739 12.470 -2.470 1.00 0.00 C ATOM 11 O SER A 2 0.270 13.044 -2.883 1.00 0.00 O ATOM 12 CB SER A 2 -1.141 12.640 -0.007 1.00 0.00 C ATOM 13 OG SER A 2 -1.897 13.258 1.020 1.00 0.00 O ATOM 0 H SER A 2 -3.256 11.802 -1.315 1.00 0.00 H new ATOM 0 HA SER A 2 -1.516 14.184 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.234 11.557 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.085 12.879 0.120 1.00 0.00 H new ATOM 0 HG SER A 2 -1.579 12.947 1.893 1.00 0.00 H new ATOM 19 N LEU A 3 -1.135 11.287 -2.925 1.00 0.00 N ATOM 20 CA LEU A 3 -0.391 10.577 -3.960 1.00 0.00 C ATOM 21 C LEU A 3 -1.181 10.530 -5.264 1.00 0.00 C ATOM 22 O LEU A 3 -2.358 10.171 -5.276 1.00 0.00 O ATOM 23 CB LEU A 3 -0.064 9.156 -3.497 1.00 0.00 C ATOM 24 CG LEU A 3 1.221 8.546 -4.057 1.00 0.00 C ATOM 25 CD1 LEU A 3 1.131 8.407 -5.569 1.00 0.00 C ATOM 26 CD2 LEU A 3 2.426 9.391 -3.668 1.00 0.00 C ATOM 0 H LEU A 3 -1.967 10.799 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 3 0.539 11.117 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.002 9.156 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.898 8.507 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 3 1.346 7.552 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.055 7.971 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.292 7.761 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.982 9.390 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.332 8.942 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.309 10.398 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.501 9.439 -2.582 1.00 0.00 H new ATOM 38 N VAL A 4 -0.524 10.892 -6.361 1.00 0.00 N ATOM 39 CA VAL A 4 -1.163 10.888 -7.671 1.00 0.00 C ATOM 40 C VAL A 4 -0.400 10.006 -8.653 1.00 0.00 C ATOM 41 O VAL A 4 0.824 10.074 -8.764 1.00 0.00 O ATOM 42 CB VAL A 4 -1.265 12.312 -8.250 1.00 0.00 C ATOM 43 CG1 VAL A 4 0.113 12.946 -8.356 1.00 0.00 C ATOM 44 CG2 VAL A 4 -1.955 12.287 -9.606 1.00 0.00 C ATOM 0 H VAL A 4 0.451 11.192 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.167 10.487 -7.532 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.866 12.919 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.020 13.951 -8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.566 12.999 -7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.742 12.343 -9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.019 13.301 -10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.382 11.665 -10.294 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.959 11.877 -9.496 1.00 0.00 H new ATOM 54 N PRO A 5 -1.138 9.157 -9.383 1.00 0.00 N ATOM 55 CA PRO A 5 -0.552 8.245 -10.369 1.00 0.00 C ATOM 56 C PRO A 5 -0.013 8.981 -11.591 1.00 0.00 C ATOM 57 O PRO A 5 0.055 10.210 -11.607 1.00 0.00 O ATOM 58 CB PRO A 5 -1.726 7.345 -10.762 1.00 0.00 C ATOM 59 CG PRO A 5 -2.940 8.165 -10.490 1.00 0.00 C ATOM 60 CD PRO A 5 -2.602 9.022 -9.302 1.00 0.00 C ATOM 0 HA PRO A 5 0.302 7.702 -9.964 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.670 7.057 -11.812 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.731 6.424 -10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.198 8.779 -11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.801 7.530 -10.281 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.098 9.991 -9.352 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.911 8.553 -8.368 1.00 0.00 H new ATOM 68 N ARG A 6 0.368 8.222 -12.613 1.00 0.00 N ATOM 69 CA ARG A 6 0.901 8.803 -13.839 1.00 0.00 C ATOM 70 C ARG A 6 -0.221 9.363 -14.708 1.00 0.00 C ATOM 71 O ARG A 6 -0.363 10.577 -14.849 1.00 0.00 O ATOM 72 CB ARG A 6 1.692 7.754 -14.624 1.00 0.00 C ATOM 73 CG ARG A 6 2.836 7.138 -13.834 1.00 0.00 C ATOM 74 CD ARG A 6 3.879 8.180 -13.459 1.00 0.00 C ATOM 75 NE ARG A 6 4.892 7.639 -12.557 1.00 0.00 N ATOM 76 CZ ARG A 6 4.716 7.512 -11.247 1.00 0.00 C ATOM 77 NH1 ARG A 6 3.573 7.884 -10.688 1.00 0.00 N ATOM 78 NH2 ARG A 6 5.686 7.012 -10.492 1.00 0.00 N ATOM 0 H ARG A 6 0.317 7.203 -12.616 1.00 0.00 H new ATOM 0 HA ARG A 6 1.567 9.621 -13.564 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.014 6.962 -14.942 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.092 8.214 -15.528 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.445 6.671 -12.930 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.304 6.349 -14.424 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.360 8.553 -14.363 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.388 9.030 -12.985 1.00 0.00 H new ATOM 0 HE ARG A 6 5.783 7.343 -12.955 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.825 8.269 -11.265 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.442 7.785 -9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.567 6.725 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.550 6.915 -9.486 1.00 0.00 H new ATOM 92 N GLY A 7 -1.016 8.470 -15.290 1.00 0.00 N ATOM 93 CA GLY A 7 -2.114 8.895 -16.137 1.00 0.00 C ATOM 94 C GLY A 7 -3.401 9.096 -15.362 1.00 0.00 C ATOM 95 O GLY A 7 -3.561 8.564 -14.263 1.00 0.00 O ATOM 0 H GLY A 7 -0.919 7.460 -15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.845 9.826 -16.635 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.276 8.151 -16.917 1.00 0.00 H new ATOM 99 N SER A 8 -4.320 9.868 -15.933 1.00 0.00 N ATOM 100 CA SER A 8 -5.597 10.143 -15.286 1.00 0.00 C ATOM 101 C SER A 8 -6.488 10.996 -16.183 1.00 0.00 C ATOM 102 O SER A 8 -6.037 11.533 -17.194 1.00 0.00 O ATOM 103 CB SER A 8 -5.373 10.851 -13.948 1.00 0.00 C ATOM 104 OG SER A 8 -4.220 11.673 -13.994 1.00 0.00 O ATOM 0 H SER A 8 -4.204 10.314 -16.843 1.00 0.00 H new ATOM 0 HA SER A 8 -6.097 9.191 -15.106 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.246 11.456 -13.702 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.265 10.111 -13.155 1.00 0.00 H new ATOM 0 HG SER A 8 -4.099 12.116 -13.128 1.00 0.00 H new ATOM 110 N MET A 9 -7.756 11.117 -15.804 1.00 0.00 N ATOM 111 CA MET A 9 -8.712 11.906 -16.573 1.00 0.00 C ATOM 112 C MET A 9 -9.633 12.696 -15.649 1.00 0.00 C ATOM 113 O MET A 9 -10.084 12.185 -14.624 1.00 0.00 O ATOM 114 CB MET A 9 -9.540 10.998 -17.484 1.00 0.00 C ATOM 115 CG MET A 9 -10.700 11.711 -18.161 1.00 0.00 C ATOM 116 SD MET A 9 -11.479 10.709 -19.441 1.00 0.00 S ATOM 117 CE MET A 9 -12.500 9.624 -18.446 1.00 0.00 C ATOM 0 H MET A 9 -8.145 10.679 -14.969 1.00 0.00 H new ATOM 0 HA MET A 9 -8.152 12.611 -17.188 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.889 10.573 -18.248 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.928 10.165 -16.898 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.444 11.978 -17.411 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.342 12.642 -18.601 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.718 8.715 -19.006 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.971 9.367 -17.528 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.433 10.129 -18.197 1.00 0.00 H new ATOM 127 N GLN A 10 -9.907 13.943 -16.018 1.00 0.00 N ATOM 128 CA GLN A 10 -10.774 14.802 -15.220 1.00 0.00 C ATOM 129 C GLN A 10 -12.208 14.762 -15.740 1.00 0.00 C ATOM 130 O GLN A 10 -12.449 14.927 -16.937 1.00 0.00 O ATOM 131 CB GLN A 10 -10.254 16.240 -15.234 1.00 0.00 C ATOM 132 CG GLN A 10 -10.642 17.039 -14.000 1.00 0.00 C ATOM 133 CD GLN A 10 -10.102 18.455 -14.028 1.00 0.00 C ATOM 134 OE1 GLN A 10 -9.498 18.921 -13.061 1.00 0.00 O ATOM 135 NE2 GLN A 10 -10.318 19.150 -15.139 1.00 0.00 N ATOM 0 H GLN A 10 -9.542 14.381 -16.864 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.768 14.431 -14.195 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.167 16.224 -15.319 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.636 16.747 -16.120 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.729 17.070 -13.919 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.270 16.530 -13.111 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.823 18.725 -15.916 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.979 20.109 -15.215 1.00 0.00 H new ATOM 144 N ILE A 11 -13.154 14.542 -14.835 1.00 0.00 N ATOM 145 CA ILE A 11 -14.564 14.481 -15.202 1.00 0.00 C ATOM 146 C ILE A 11 -15.391 15.455 -14.370 1.00 0.00 C ATOM 147 O ILE A 11 -14.900 16.033 -13.401 1.00 0.00 O ATOM 148 CB ILE A 11 -15.131 13.061 -15.026 1.00 0.00 C ATOM 149 CG1 ILE A 11 -14.996 12.612 -13.569 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.420 12.087 -15.953 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.842 11.405 -13.228 1.00 0.00 C ATOM 0 H ILE A 11 -12.971 14.403 -13.841 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.629 14.760 -16.254 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.189 13.074 -15.287 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.950 12.383 -13.363 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.276 13.438 -12.915 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.833 11.087 -15.816 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.562 12.400 -16.987 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.355 12.075 -15.721 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.696 11.143 -12.180 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.893 11.637 -13.402 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.547 10.565 -13.856 1.00 0.00 H new ATOM 163 N PHE A 12 -16.652 15.629 -14.754 1.00 0.00 N ATOM 164 CA PHE A 12 -17.549 16.532 -14.042 1.00 0.00 C ATOM 165 C PHE A 12 -18.773 15.783 -13.522 1.00 0.00 C ATOM 166 O PHE A 12 -19.429 15.051 -14.263 1.00 0.00 O ATOM 167 CB PHE A 12 -17.988 17.676 -14.959 1.00 0.00 C ATOM 168 CG PHE A 12 -16.879 18.629 -15.301 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.497 19.617 -14.409 1.00 0.00 C ATOM 170 CD2 PHE A 12 -16.219 18.536 -16.516 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.478 20.496 -14.722 1.00 0.00 C ATOM 172 CE2 PHE A 12 -15.198 19.412 -16.834 1.00 0.00 C ATOM 173 CZ PHE A 12 -14.826 20.393 -15.935 1.00 0.00 C ATOM 0 H PHE A 12 -17.075 15.157 -15.553 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.009 16.945 -13.190 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.394 17.257 -15.880 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.795 18.228 -14.477 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.001 19.701 -13.458 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.505 17.771 -17.222 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.191 21.263 -14.018 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.692 19.330 -17.784 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.027 21.077 -16.180 1.00 0.00 H new ATOM 183 N VAL A 13 -19.075 15.973 -12.241 1.00 0.00 N ATOM 184 CA VAL A 13 -20.220 15.317 -11.621 1.00 0.00 C ATOM 185 C VAL A 13 -21.109 16.326 -10.903 1.00 0.00 C ATOM 186 O VAL A 13 -20.621 17.290 -10.311 1.00 0.00 O ATOM 187 CB VAL A 13 -19.772 14.238 -10.616 1.00 0.00 C ATOM 188 CG1 VAL A 13 -18.785 13.280 -11.266 1.00 0.00 C ATOM 189 CG2 VAL A 13 -19.166 14.882 -9.378 1.00 0.00 C ATOM 0 H VAL A 13 -18.543 16.575 -11.613 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.786 14.844 -12.423 1.00 0.00 H new ATOM 0 HB VAL A 13 -20.648 13.666 -10.308 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -18.480 12.525 -10.541 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -19.258 12.794 -12.119 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.909 13.834 -11.604 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.855 14.105 -8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.301 15.479 -9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.907 15.523 -8.902 1.00 0.00 H new ATOM 199 N LYS A 14 -22.416 16.099 -10.958 1.00 0.00 N ATOM 200 CA LYS A 14 -23.376 16.987 -10.312 1.00 0.00 C ATOM 201 C LYS A 14 -23.780 16.448 -8.944 1.00 0.00 C ATOM 202 O LYS A 14 -24.122 15.273 -8.803 1.00 0.00 O ATOM 203 CB LYS A 14 -24.617 17.157 -11.192 1.00 0.00 C ATOM 204 CG LYS A 14 -24.557 18.374 -12.099 1.00 0.00 C ATOM 205 CD LYS A 14 -23.907 18.044 -13.432 1.00 0.00 C ATOM 206 CE LYS A 14 -23.604 19.302 -14.231 1.00 0.00 C ATOM 207 NZ LYS A 14 -24.828 19.866 -14.863 1.00 0.00 N ATOM 0 H LYS A 14 -22.836 15.307 -11.444 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.900 17.958 -10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.743 16.264 -11.804 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.497 17.233 -10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.565 18.753 -12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.997 19.169 -11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.984 17.490 -13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.566 17.395 -14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.156 20.049 -13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.869 19.074 -15.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.579 20.722 -15.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.241 19.162 -15.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.520 20.108 -14.125 1.00 0.00 H new ATOM 221 N THR A 15 -23.740 17.314 -7.936 1.00 0.00 N ATOM 222 CA THR A 15 -24.102 16.925 -6.579 1.00 0.00 C ATOM 223 C THR A 15 -25.607 17.026 -6.361 1.00 0.00 C ATOM 224 O THR A 15 -26.324 17.614 -7.173 1.00 0.00 O ATOM 225 CB THR A 15 -23.384 17.798 -5.533 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.669 19.181 -5.770 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.880 17.571 -5.579 1.00 0.00 C ATOM 0 H THR A 15 -23.460 18.290 -8.034 1.00 0.00 H new ATOM 0 HA THR A 15 -23.788 15.889 -6.454 1.00 0.00 H new ATOM 0 HB THR A 15 -23.749 17.516 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.141 19.498 -6.533 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.394 18.198 -4.832 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.664 16.523 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.503 17.829 -6.569 1.00 0.00 H new ATOM 235 N LEU A 16 -26.082 16.451 -5.262 1.00 0.00 N ATOM 236 CA LEU A 16 -27.503 16.478 -4.937 1.00 0.00 C ATOM 237 C LEU A 16 -27.956 17.892 -4.586 1.00 0.00 C ATOM 238 O LEU A 16 -29.125 18.241 -4.749 1.00 0.00 O ATOM 239 CB LEU A 16 -27.798 15.533 -3.771 1.00 0.00 C ATOM 240 CG LEU A 16 -27.101 15.859 -2.449 1.00 0.00 C ATOM 241 CD1 LEU A 16 -28.059 15.679 -1.282 1.00 0.00 C ATOM 242 CD2 LEU A 16 -25.867 14.989 -2.268 1.00 0.00 C ATOM 0 H LEU A 16 -25.503 15.960 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.057 16.146 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -28.874 15.526 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -27.516 14.523 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.785 16.902 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.546 15.915 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -28.912 16.346 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.407 14.646 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.384 15.235 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -26.160 13.939 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.172 15.169 -3.088 1.00 0.00 H new ATOM 254 N THR A 17 -27.020 18.705 -4.105 1.00 0.00 N ATOM 255 CA THR A 17 -27.321 20.082 -3.733 1.00 0.00 C ATOM 256 C THR A 17 -27.500 20.958 -4.967 1.00 0.00 C ATOM 257 O THR A 17 -28.222 21.954 -4.934 1.00 0.00 O ATOM 258 CB THR A 17 -26.211 20.680 -2.849 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.542 22.027 -2.493 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.872 20.655 -3.570 1.00 0.00 C ATOM 0 H THR A 17 -26.047 18.433 -3.964 1.00 0.00 H new ATOM 0 HA THR A 17 -28.253 20.061 -3.168 1.00 0.00 H new ATOM 0 HB THR A 17 -26.130 20.075 -1.946 1.00 0.00 H new ATOM 0 HG1 THR A 17 -25.846 22.633 -2.823 1.00 0.00 H new ATOM 0 HG21 THR A 17 -24.104 21.082 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.609 19.626 -3.814 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.942 21.239 -4.488 1.00 0.00 H new ATOM 268 N GLY A 18 -26.838 20.581 -6.057 1.00 0.00 N ATOM 269 CA GLY A 18 -26.938 21.344 -7.287 1.00 0.00 C ATOM 270 C GLY A 18 -25.636 22.029 -7.652 1.00 0.00 C ATOM 271 O GLY A 18 -25.632 23.030 -8.369 1.00 0.00 O ATOM 0 H GLY A 18 -26.234 19.761 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.236 20.681 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.723 22.093 -7.183 1.00 0.00 H new ATOM 275 N LYS A 19 -24.527 21.490 -7.157 1.00 0.00 N ATOM 276 CA LYS A 19 -23.212 22.055 -7.434 1.00 0.00 C ATOM 277 C LYS A 19 -22.368 21.090 -8.260 1.00 0.00 C ATOM 278 O LYS A 19 -22.491 19.871 -8.128 1.00 0.00 O ATOM 279 CB LYS A 19 -22.491 22.389 -6.126 1.00 0.00 C ATOM 280 CG LYS A 19 -21.033 22.769 -6.315 1.00 0.00 C ATOM 281 CD LYS A 19 -20.118 21.566 -6.159 1.00 0.00 C ATOM 282 CE LYS A 19 -19.534 21.488 -4.757 1.00 0.00 C ATOM 283 NZ LYS A 19 -20.288 20.538 -3.893 1.00 0.00 N ATOM 0 H LYS A 19 -24.513 20.662 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.352 22.971 -8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.011 23.211 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.550 21.529 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.895 23.206 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.758 23.533 -5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.675 20.654 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.310 21.625 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.491 21.176 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.546 22.479 -4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.858 20.514 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.277 20.849 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.255 19.587 -4.312 1.00 0.00 H new ATOM 297 N THR A 20 -21.508 21.641 -9.112 1.00 0.00 N ATOM 298 CA THR A 20 -20.644 20.829 -9.958 1.00 0.00 C ATOM 299 C THR A 20 -19.228 20.764 -9.396 1.00 0.00 C ATOM 300 O THR A 20 -18.553 21.786 -9.270 1.00 0.00 O ATOM 301 CB THR A 20 -20.588 21.378 -11.396 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.858 21.931 -11.759 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.206 20.282 -12.380 1.00 0.00 C ATOM 0 H THR A 20 -21.392 22.647 -9.234 1.00 0.00 H new ATOM 0 HA THR A 20 -21.072 19.827 -9.976 1.00 0.00 H new ATOM 0 HB THR A 20 -19.828 22.159 -11.434 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.814 22.279 -12.674 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.173 20.694 -13.389 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.226 19.884 -12.118 1.00 0.00 H new ATOM 0 HG23 THR A 20 -20.945 19.482 -12.339 1.00 0.00 H new ATOM 311 N ILE A 21 -18.785 19.557 -9.061 1.00 0.00 N ATOM 312 CA ILE A 21 -17.448 19.360 -8.514 1.00 0.00 C ATOM 313 C ILE A 21 -16.565 18.586 -9.487 1.00 0.00 C ATOM 314 O ILE A 21 -16.984 17.578 -10.057 1.00 0.00 O ATOM 315 CB ILE A 21 -17.495 18.607 -7.171 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.077 18.343 -6.660 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.261 17.302 -7.321 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.537 16.985 -7.050 1.00 0.00 C ATOM 0 H ILE A 21 -19.332 18.701 -9.159 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.024 20.351 -8.351 1.00 0.00 H new ATOM 0 HB ILE A 21 -18.015 19.228 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.411 19.114 -7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -16.069 18.430 -5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.285 16.782 -6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.280 17.513 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.768 16.674 -8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.528 16.867 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.181 16.206 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.512 16.902 -8.137 1.00 0.00 H new ATOM 330 N THR A 22 -15.338 19.063 -9.672 1.00 0.00 N ATOM 331 CA THR A 22 -14.394 18.417 -10.574 1.00 0.00 C ATOM 332 C THR A 22 -13.698 17.243 -9.894 1.00 0.00 C ATOM 333 O THR A 22 -13.053 17.407 -8.857 1.00 0.00 O ATOM 334 CB THR A 22 -13.329 19.409 -11.078 1.00 0.00 C ATOM 335 OG1 THR A 22 -13.922 20.692 -11.304 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.688 18.908 -12.364 1.00 0.00 C ATOM 0 H THR A 22 -14.975 19.896 -9.208 1.00 0.00 H new ATOM 0 HA THR A 22 -14.970 18.051 -11.424 1.00 0.00 H new ATOM 0 HB THR A 22 -12.556 19.496 -10.315 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.238 21.317 -11.623 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.939 19.625 -12.701 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.212 17.945 -12.182 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.453 18.795 -13.132 1.00 0.00 H new ATOM 344 N LEU A 23 -13.831 16.060 -10.483 1.00 0.00 N ATOM 345 CA LEU A 23 -13.214 14.858 -9.934 1.00 0.00 C ATOM 346 C LEU A 23 -12.145 14.316 -10.877 1.00 0.00 C ATOM 347 O LEU A 23 -12.159 14.598 -12.075 1.00 0.00 O ATOM 348 CB LEU A 23 -14.275 13.787 -9.678 1.00 0.00 C ATOM 349 CG LEU A 23 -14.018 12.857 -8.492 1.00 0.00 C ATOM 350 CD1 LEU A 23 -14.096 13.627 -7.183 1.00 0.00 C ATOM 351 CD2 LEU A 23 -15.010 11.703 -8.494 1.00 0.00 C ATOM 0 H LEU A 23 -14.361 15.907 -11.341 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.739 15.122 -8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.233 14.283 -9.524 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.372 13.178 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.013 12.446 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.910 12.949 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.346 14.418 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -15.088 14.067 -7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.812 11.051 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -16.024 12.095 -8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.905 11.135 -9.418 1.00 0.00 H new ATOM 363 N GLU A 24 -11.220 13.534 -10.328 1.00 0.00 N ATOM 364 CA GLU A 24 -10.145 12.951 -11.122 1.00 0.00 C ATOM 365 C GLU A 24 -10.212 11.426 -11.093 1.00 0.00 C ATOM 366 O GLU A 24 -10.084 10.808 -10.037 1.00 0.00 O ATOM 367 CB GLU A 24 -8.785 13.422 -10.602 1.00 0.00 C ATOM 368 CG GLU A 24 -8.471 14.869 -10.943 1.00 0.00 C ATOM 369 CD GLU A 24 -9.136 15.848 -9.996 1.00 0.00 C ATOM 370 OE1 GLU A 24 -8.715 15.916 -8.822 1.00 0.00 O ATOM 371 OE2 GLU A 24 -10.077 16.547 -10.428 1.00 0.00 O ATOM 0 H GLU A 24 -11.194 13.290 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.268 13.283 -12.153 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.757 13.298 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.006 12.782 -11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.392 15.019 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.796 15.077 -11.962 1.00 0.00 H new ATOM 378 N VAL A 25 -10.415 10.827 -12.262 1.00 0.00 N ATOM 379 CA VAL A 25 -10.499 9.376 -12.373 1.00 0.00 C ATOM 380 C VAL A 25 -9.832 8.882 -13.652 1.00 0.00 C ATOM 381 O VAL A 25 -9.882 9.548 -14.686 1.00 0.00 O ATOM 382 CB VAL A 25 -11.962 8.895 -12.351 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.768 9.588 -13.439 1.00 0.00 C ATOM 384 CG2 VAL A 25 -12.028 7.383 -12.508 1.00 0.00 C ATOM 0 H VAL A 25 -10.524 11.325 -13.146 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.975 8.962 -11.511 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.398 9.156 -11.387 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.799 9.236 -13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.748 10.666 -13.276 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.336 9.360 -14.413 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.069 7.060 -12.490 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.575 7.096 -13.457 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.487 6.908 -11.689 1.00 0.00 H new ATOM 394 N GLU A 26 -9.209 7.711 -13.574 1.00 0.00 N ATOM 395 CA GLU A 26 -8.532 7.128 -14.727 1.00 0.00 C ATOM 396 C GLU A 26 -9.531 6.447 -15.658 1.00 0.00 C ATOM 397 O GLU A 26 -10.600 6.000 -15.242 1.00 0.00 O ATOM 398 CB GLU A 26 -7.475 6.121 -14.270 1.00 0.00 C ATOM 399 CG GLU A 26 -6.636 6.607 -13.101 1.00 0.00 C ATOM 400 CD GLU A 26 -5.497 5.663 -12.767 1.00 0.00 C ATOM 401 OE1 GLU A 26 -5.582 4.474 -13.141 1.00 0.00 O ATOM 402 OE2 GLU A 26 -4.521 6.113 -12.131 1.00 0.00 O ATOM 0 H GLU A 26 -9.159 7.147 -12.725 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.043 7.934 -15.275 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.969 5.191 -13.990 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.817 5.892 -15.108 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.230 7.591 -13.334 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.274 6.725 -12.225 1.00 0.00 H new ATOM 409 N PRO A 27 -9.176 6.366 -16.949 1.00 0.00 N ATOM 410 CA PRO A 27 -10.027 5.741 -17.966 1.00 0.00 C ATOM 411 C PRO A 27 -10.119 4.229 -17.795 1.00 0.00 C ATOM 412 O PRO A 27 -11.011 3.585 -18.348 1.00 0.00 O ATOM 413 CB PRO A 27 -9.322 6.088 -19.280 1.00 0.00 C ATOM 414 CG PRO A 27 -7.896 6.296 -18.901 1.00 0.00 C ATOM 415 CD PRO A 27 -7.916 6.877 -17.515 1.00 0.00 C ATOM 0 HA PRO A 27 -11.056 6.097 -17.911 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.425 5.284 -20.009 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.746 6.984 -19.732 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.346 5.355 -18.922 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.401 6.970 -19.600 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.054 6.555 -16.932 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.898 7.967 -17.536 1.00 0.00 H new ATOM 423 N SER A 28 -9.193 3.667 -17.024 1.00 0.00 N ATOM 424 CA SER A 28 -9.169 2.229 -16.783 1.00 0.00 C ATOM 425 C SER A 28 -9.735 1.900 -15.405 1.00 0.00 C ATOM 426 O SER A 28 -10.049 0.747 -15.109 1.00 0.00 O ATOM 427 CB SER A 28 -7.740 1.695 -16.901 1.00 0.00 C ATOM 428 OG SER A 28 -6.793 2.695 -16.569 1.00 0.00 O ATOM 0 H SER A 28 -8.450 4.186 -16.556 1.00 0.00 H new ATOM 0 HA SER A 28 -9.792 1.748 -17.537 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.614 0.837 -16.241 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.562 1.345 -17.918 1.00 0.00 H new ATOM 0 HG SER A 28 -5.888 2.328 -16.651 1.00 0.00 H new ATOM 434 N ASP A 29 -9.861 2.922 -14.565 1.00 0.00 N ATOM 435 CA ASP A 29 -10.390 2.743 -13.218 1.00 0.00 C ATOM 436 C ASP A 29 -11.877 2.403 -13.258 1.00 0.00 C ATOM 437 O ASP A 29 -12.529 2.543 -14.293 1.00 0.00 O ATOM 438 CB ASP A 29 -10.165 4.007 -12.387 1.00 0.00 C ATOM 439 CG ASP A 29 -8.758 4.092 -11.830 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.909 3.272 -12.238 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.505 4.977 -10.986 1.00 0.00 O ATOM 0 H ASP A 29 -9.604 3.882 -14.793 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.859 1.912 -12.753 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.362 4.884 -13.004 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.880 4.029 -11.565 1.00 0.00 H new ATOM 446 N THR A 30 -12.407 1.955 -12.124 1.00 0.00 N ATOM 447 CA THR A 30 -13.816 1.593 -12.030 1.00 0.00 C ATOM 448 C THR A 30 -14.567 2.543 -11.104 1.00 0.00 C ATOM 449 O THR A 30 -13.962 3.386 -10.442 1.00 0.00 O ATOM 450 CB THR A 30 -13.992 0.150 -11.520 1.00 0.00 C ATOM 451 OG1 THR A 30 -13.551 0.054 -10.160 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.209 -0.828 -12.382 1.00 0.00 C ATOM 0 H THR A 30 -11.882 1.834 -11.258 1.00 0.00 H new ATOM 0 HA THR A 30 -14.230 1.668 -13.036 1.00 0.00 H new ATOM 0 HB THR A 30 -15.050 -0.106 -11.578 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.668 -0.866 -9.842 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.349 -1.840 -12.002 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.566 -0.774 -13.410 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.150 -0.572 -12.352 1.00 0.00 H new ATOM 460 N ILE A 31 -15.887 2.400 -11.062 1.00 0.00 N ATOM 461 CA ILE A 31 -16.720 3.245 -10.215 1.00 0.00 C ATOM 462 C ILE A 31 -16.219 3.243 -8.775 1.00 0.00 C ATOM 463 O ILE A 31 -16.398 4.217 -8.045 1.00 0.00 O ATOM 464 CB ILE A 31 -18.190 2.787 -10.236 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.704 2.714 -11.676 1.00 0.00 C ATOM 466 CG2 ILE A 31 -19.050 3.731 -9.409 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.582 4.021 -12.428 1.00 0.00 C ATOM 0 H ILE A 31 -16.403 1.707 -11.604 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.657 4.256 -10.618 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.251 1.791 -9.797 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.151 1.943 -12.212 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.750 2.407 -11.665 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -20.086 3.394 -9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.695 3.738 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.986 4.738 -9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.965 3.895 -13.441 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.158 4.791 -11.915 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.535 4.320 -12.471 1.00 0.00 H new ATOM 479 N GLU A 32 -15.590 2.142 -8.374 1.00 0.00 N ATOM 480 CA GLU A 32 -15.062 2.015 -7.021 1.00 0.00 C ATOM 481 C GLU A 32 -13.969 3.049 -6.764 1.00 0.00 C ATOM 482 O GLU A 32 -13.824 3.549 -5.649 1.00 0.00 O ATOM 483 CB GLU A 32 -14.510 0.606 -6.795 1.00 0.00 C ATOM 484 CG GLU A 32 -15.521 -0.495 -7.070 1.00 0.00 C ATOM 485 CD GLU A 32 -16.847 -0.256 -6.374 1.00 0.00 C ATOM 486 OE1 GLU A 32 -17.686 0.479 -6.935 1.00 0.00 O ATOM 487 OE2 GLU A 32 -17.045 -0.804 -5.270 1.00 0.00 O ATOM 0 H GLU A 32 -15.434 1.326 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.879 2.194 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.641 0.458 -7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.164 0.521 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.687 -0.570 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.110 -1.450 -6.743 1.00 0.00 H new ATOM 494 N ASN A 33 -13.203 3.362 -7.803 1.00 0.00 N ATOM 495 CA ASN A 33 -12.122 4.335 -7.690 1.00 0.00 C ATOM 496 C ASN A 33 -12.671 5.759 -7.680 1.00 0.00 C ATOM 497 O ASN A 33 -12.083 6.657 -7.077 1.00 0.00 O ATOM 498 CB ASN A 33 -11.134 4.166 -8.846 1.00 0.00 C ATOM 499 CG ASN A 33 -9.729 3.858 -8.365 1.00 0.00 C ATOM 500 OD1 ASN A 33 -9.387 2.703 -8.112 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.908 4.894 -8.235 1.00 0.00 N ATOM 0 H ASN A 33 -13.310 2.957 -8.733 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.603 4.158 -6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.476 3.363 -9.498 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.119 5.077 -9.444 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.951 4.749 -7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.235 5.835 -8.456 1.00 0.00 H new ATOM 508 N VAL A 34 -13.802 5.956 -8.349 1.00 0.00 N ATOM 509 CA VAL A 34 -14.431 7.270 -8.416 1.00 0.00 C ATOM 510 C VAL A 34 -14.873 7.738 -7.034 1.00 0.00 C ATOM 511 O VAL A 34 -14.528 8.837 -6.599 1.00 0.00 O ATOM 512 CB VAL A 34 -15.651 7.261 -9.356 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.284 8.643 -9.423 1.00 0.00 C ATOM 514 CG2 VAL A 34 -15.250 6.782 -10.743 1.00 0.00 C ATOM 0 H VAL A 34 -14.302 5.223 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.683 7.959 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.391 6.568 -8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.144 8.617 -10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.608 8.944 -8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.554 9.360 -9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.124 6.782 -11.395 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.492 7.449 -11.153 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.847 5.772 -10.676 1.00 0.00 H new ATOM 524 N LYS A 35 -15.638 6.897 -6.346 1.00 0.00 N ATOM 525 CA LYS A 35 -16.126 7.222 -5.012 1.00 0.00 C ATOM 526 C LYS A 35 -14.969 7.548 -4.073 1.00 0.00 C ATOM 527 O LYS A 35 -15.128 8.306 -3.117 1.00 0.00 O ATOM 528 CB LYS A 35 -16.942 6.057 -4.447 1.00 0.00 C ATOM 529 CG LYS A 35 -16.265 4.707 -4.606 1.00 0.00 C ATOM 530 CD LYS A 35 -16.992 3.623 -3.827 1.00 0.00 C ATOM 531 CE LYS A 35 -16.063 2.470 -3.477 1.00 0.00 C ATOM 532 NZ LYS A 35 -15.149 2.816 -2.354 1.00 0.00 N ATOM 0 H LYS A 35 -15.933 5.984 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.765 8.101 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.132 6.237 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.912 6.029 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.232 4.438 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.233 4.774 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.408 4.047 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.830 3.250 -4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.655 1.596 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.475 2.199 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.653 1.960 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.453 3.519 -2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.701 3.212 -1.566 1.00 0.00 H new ATOM 546 N ALA A 36 -13.805 6.972 -4.354 1.00 0.00 N ATOM 547 CA ALA A 36 -12.620 7.204 -3.537 1.00 0.00 C ATOM 548 C ALA A 36 -12.316 8.694 -3.423 1.00 0.00 C ATOM 549 O ALA A 36 -12.024 9.198 -2.338 1.00 0.00 O ATOM 550 CB ALA A 36 -11.425 6.462 -4.117 1.00 0.00 C ATOM 0 H ALA A 36 -13.657 6.341 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.819 6.822 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.547 6.644 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.637 5.393 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.233 6.816 -5.130 1.00 0.00 H new ATOM 556 N LYS A 37 -12.385 9.395 -4.549 1.00 0.00 N ATOM 557 CA LYS A 37 -12.118 10.828 -4.577 1.00 0.00 C ATOM 558 C LYS A 37 -13.295 11.613 -4.005 1.00 0.00 C ATOM 559 O LYS A 37 -13.117 12.692 -3.440 1.00 0.00 O ATOM 560 CB LYS A 37 -11.832 11.288 -6.008 1.00 0.00 C ATOM 561 CG LYS A 37 -10.375 11.146 -6.413 1.00 0.00 C ATOM 562 CD LYS A 37 -9.904 9.705 -6.307 1.00 0.00 C ATOM 563 CE LYS A 37 -9.211 9.443 -4.979 1.00 0.00 C ATOM 564 NZ LYS A 37 -8.135 8.420 -5.107 1.00 0.00 N ATOM 0 H LYS A 37 -12.624 8.993 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.241 11.020 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.450 10.711 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.129 12.332 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.245 11.498 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.756 11.780 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.756 9.034 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.220 9.483 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.785 10.373 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.945 9.108 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.687 8.270 -4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.545 7.525 -5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.421 8.750 -5.787 1.00 0.00 H new ATOM 578 N ILE A 38 -14.495 11.062 -4.154 1.00 0.00 N ATOM 579 CA ILE A 38 -15.700 11.709 -3.650 1.00 0.00 C ATOM 580 C ILE A 38 -15.679 11.800 -2.128 1.00 0.00 C ATOM 581 O ILE A 38 -16.238 12.729 -1.545 1.00 0.00 O ATOM 582 CB ILE A 38 -16.969 10.958 -4.091 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.055 10.910 -5.618 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.207 11.620 -3.506 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.219 12.271 -6.257 1.00 0.00 C ATOM 0 H ILE A 38 -14.659 10.169 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.718 12.714 -4.072 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.917 9.936 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.153 10.440 -6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.895 10.278 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.096 11.077 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.147 11.607 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.267 12.651 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.273 12.160 -7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.136 12.735 -5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.367 12.899 -5.998 1.00 0.00 H new ATOM 597 N GLN A 39 -15.030 10.830 -1.492 1.00 0.00 N ATOM 598 CA GLN A 39 -14.936 10.802 -0.037 1.00 0.00 C ATOM 599 C GLN A 39 -14.371 12.114 0.498 1.00 0.00 C ATOM 600 O GLN A 39 -14.775 12.587 1.561 1.00 0.00 O ATOM 601 CB GLN A 39 -14.059 9.633 0.416 1.00 0.00 C ATOM 602 CG GLN A 39 -14.769 8.289 0.376 1.00 0.00 C ATOM 603 CD GLN A 39 -13.932 7.170 0.964 1.00 0.00 C ATOM 604 OE1 GLN A 39 -12.847 6.864 0.469 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.433 6.553 2.028 1.00 0.00 N ATOM 0 H GLN A 39 -14.562 10.054 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.941 10.670 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.174 9.586 -0.219 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.713 9.822 1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.708 8.362 0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.021 8.046 -0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.336 6.839 2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.914 5.793 2.468 1.00 0.00 H new ATOM 614 N ASP A 40 -13.436 12.695 -0.244 1.00 0.00 N ATOM 615 CA ASP A 40 -12.816 13.953 0.155 1.00 0.00 C ATOM 616 C ASP A 40 -13.746 15.130 -0.122 1.00 0.00 C ATOM 617 O ASP A 40 -13.625 16.190 0.493 1.00 0.00 O ATOM 618 CB ASP A 40 -11.491 14.151 -0.584 1.00 0.00 C ATOM 619 CG ASP A 40 -10.623 15.215 0.058 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.827 16.409 -0.247 1.00 0.00 O ATOM 621 OD2 ASP A 40 -9.740 14.855 0.864 1.00 0.00 O ATOM 0 H ASP A 40 -13.090 12.315 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.623 13.909 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.946 13.207 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.693 14.427 -1.619 1.00 0.00 H new ATOM 626 N LYS A 41 -14.676 14.937 -1.052 1.00 0.00 N ATOM 627 CA LYS A 41 -15.628 15.981 -1.411 1.00 0.00 C ATOM 628 C LYS A 41 -16.783 16.030 -0.415 1.00 0.00 C ATOM 629 O LYS A 41 -17.112 17.090 0.115 1.00 0.00 O ATOM 630 CB LYS A 41 -16.168 15.744 -2.823 1.00 0.00 C ATOM 631 CG LYS A 41 -15.091 15.393 -3.835 1.00 0.00 C ATOM 632 CD LYS A 41 -14.165 16.569 -4.095 1.00 0.00 C ATOM 633 CE LYS A 41 -12.931 16.514 -3.208 1.00 0.00 C ATOM 634 NZ LYS A 41 -12.882 17.656 -2.254 1.00 0.00 N ATOM 0 H LYS A 41 -14.790 14.066 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.107 16.938 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.902 14.939 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.691 16.640 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.511 14.545 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.557 15.082 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.862 16.570 -5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.701 17.501 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.925 15.576 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.036 16.522 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.054 18.249 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.748 18.225 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.810 17.293 -1.282 1.00 0.00 H new ATOM 648 N GLU A 42 -17.392 14.875 -0.165 1.00 0.00 N ATOM 649 CA GLU A 42 -18.510 14.788 0.767 1.00 0.00 C ATOM 650 C GLU A 42 -18.210 13.791 1.884 1.00 0.00 C ATOM 651 O GLU A 42 -18.610 13.989 3.030 1.00 0.00 O ATOM 652 CB GLU A 42 -19.787 14.377 0.031 1.00 0.00 C ATOM 653 CG GLU A 42 -20.295 15.429 -0.940 1.00 0.00 C ATOM 654 CD GLU A 42 -20.743 16.699 -0.242 1.00 0.00 C ATOM 655 OE1 GLU A 42 -21.839 16.690 0.357 1.00 0.00 O ATOM 656 OE2 GLU A 42 -19.999 17.700 -0.295 1.00 0.00 O ATOM 0 H GLU A 42 -17.130 13.988 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.657 15.773 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.600 13.452 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.566 14.164 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.507 15.670 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.128 15.019 -1.511 1.00 0.00 H new ATOM 663 N GLY A 43 -17.504 12.719 1.538 1.00 0.00 N ATOM 664 CA GLY A 43 -17.163 11.707 2.521 1.00 0.00 C ATOM 665 C GLY A 43 -18.318 10.771 2.815 1.00 0.00 C ATOM 666 O GLY A 43 -18.931 10.846 3.881 1.00 0.00 O ATOM 0 H GLY A 43 -17.162 12.533 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.313 11.128 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.850 12.193 3.445 1.00 0.00 H new ATOM 670 N ILE A 44 -18.619 9.889 1.868 1.00 0.00 N ATOM 671 CA ILE A 44 -19.709 8.936 2.030 1.00 0.00 C ATOM 672 C ILE A 44 -19.221 7.504 1.836 1.00 0.00 C ATOM 673 O ILE A 44 -18.254 7.243 1.120 1.00 0.00 O ATOM 674 CB ILE A 44 -20.854 9.215 1.038 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.290 9.540 -0.347 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.725 10.356 1.542 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.350 9.650 -1.420 1.00 0.00 C ATOM 0 H ILE A 44 -18.123 9.815 0.980 1.00 0.00 H new ATOM 0 HA ILE A 44 -20.083 9.055 3.047 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.472 8.320 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.739 10.479 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -19.576 8.766 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.530 10.541 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -22.151 10.089 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -21.120 11.256 1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -20.878 9.882 -2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -21.886 8.704 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.051 10.443 -1.159 1.00 0.00 H new ATOM 689 N PRO A 45 -19.906 6.552 2.488 1.00 0.00 N ATOM 690 CA PRO A 45 -19.562 5.130 2.401 1.00 0.00 C ATOM 691 C PRO A 45 -19.864 4.544 1.026 1.00 0.00 C ATOM 692 O PRO A 45 -20.598 5.122 0.225 1.00 0.00 O ATOM 693 CB PRO A 45 -20.453 4.484 3.465 1.00 0.00 C ATOM 694 CG PRO A 45 -21.611 5.410 3.602 1.00 0.00 C ATOM 695 CD PRO A 45 -21.069 6.791 3.359 1.00 0.00 C ATOM 0 HA PRO A 45 -18.497 4.958 2.556 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.776 3.489 3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.922 4.371 4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.393 5.166 2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.056 5.334 4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.806 7.433 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.780 7.279 4.290 1.00 0.00 H new ATOM 703 N PRO A 46 -19.285 3.367 0.744 1.00 0.00 N ATOM 704 CA PRO A 46 -19.478 2.676 -0.534 1.00 0.00 C ATOM 705 C PRO A 46 -20.893 2.129 -0.689 1.00 0.00 C ATOM 706 O PRO A 46 -21.405 2.011 -1.802 1.00 0.00 O ATOM 707 CB PRO A 46 -18.465 1.530 -0.475 1.00 0.00 C ATOM 708 CG PRO A 46 -18.258 1.282 0.979 1.00 0.00 C ATOM 709 CD PRO A 46 -18.397 2.620 1.651 1.00 0.00 C ATOM 0 HA PRO A 46 -19.337 3.344 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -18.844 0.640 -0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -17.531 1.801 -0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.993 0.574 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.274 0.852 1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -18.828 2.526 2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.432 3.114 1.766 1.00 0.00 H new ATOM 717 N ASP A 47 -21.520 1.796 0.434 1.00 0.00 N ATOM 718 CA ASP A 47 -22.877 1.262 0.423 1.00 0.00 C ATOM 719 C ASP A 47 -23.869 2.309 -0.073 1.00 0.00 C ATOM 720 O ASP A 47 -24.813 1.990 -0.795 1.00 0.00 O ATOM 721 CB ASP A 47 -23.273 0.789 1.823 1.00 0.00 C ATOM 722 CG ASP A 47 -22.517 -0.454 2.249 1.00 0.00 C ATOM 723 OD1 ASP A 47 -21.645 -0.911 1.481 1.00 0.00 O ATOM 724 OD2 ASP A 47 -22.797 -0.969 3.352 1.00 0.00 O ATOM 0 H ASP A 47 -21.110 1.886 1.364 1.00 0.00 H new ATOM 0 HA ASP A 47 -22.901 0.413 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.086 1.588 2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -24.344 0.585 1.845 1.00 0.00 H new ATOM 729 N GLN A 48 -23.648 3.559 0.320 1.00 0.00 N ATOM 730 CA GLN A 48 -24.524 4.653 -0.084 1.00 0.00 C ATOM 731 C GLN A 48 -24.038 5.288 -1.382 1.00 0.00 C ATOM 732 O GLN A 48 -24.819 5.889 -2.120 1.00 0.00 O ATOM 733 CB GLN A 48 -24.597 5.710 1.020 1.00 0.00 C ATOM 734 CG GLN A 48 -25.128 5.175 2.340 1.00 0.00 C ATOM 735 CD GLN A 48 -26.221 4.142 2.154 1.00 0.00 C ATOM 736 OE1 GLN A 48 -27.152 4.340 1.373 1.00 0.00 O ATOM 737 NE2 GLN A 48 -26.115 3.031 2.873 1.00 0.00 N ATOM 0 H GLN A 48 -22.870 3.840 0.917 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.521 4.245 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.602 6.126 1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.235 6.529 0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -24.307 4.732 2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.514 6.003 2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.327 2.908 3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -26.822 2.300 2.790 1.00 0.00 H new ATOM 746 N GLN A 49 -22.744 5.152 -1.654 1.00 0.00 N ATOM 747 CA GLN A 49 -22.155 5.715 -2.863 1.00 0.00 C ATOM 748 C GLN A 49 -22.738 5.058 -4.109 1.00 0.00 C ATOM 749 O GLN A 49 -22.389 3.927 -4.448 1.00 0.00 O ATOM 750 CB GLN A 49 -20.635 5.540 -2.844 1.00 0.00 C ATOM 751 CG GLN A 49 -19.902 6.668 -2.137 1.00 0.00 C ATOM 752 CD GLN A 49 -19.387 7.722 -3.098 1.00 0.00 C ATOM 753 OE1 GLN A 49 -18.251 8.182 -2.983 1.00 0.00 O ATOM 754 NE2 GLN A 49 -20.223 8.110 -4.054 1.00 0.00 N ATOM 0 H GLN A 49 -22.084 4.657 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 49 -22.391 6.779 -2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -20.392 4.597 -2.354 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.273 5.469 -3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -20.572 7.136 -1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.065 6.255 -1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -21.156 7.702 -4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.932 8.816 -4.730 1.00 0.00 H new ATOM 763 N ARG A 50 -23.629 5.774 -4.788 1.00 0.00 N ATOM 764 CA ARG A 50 -24.263 5.260 -5.996 1.00 0.00 C ATOM 765 C ARG A 50 -24.165 6.272 -7.134 1.00 0.00 C ATOM 766 O ARG A 50 -24.692 7.381 -7.040 1.00 0.00 O ATOM 767 CB ARG A 50 -25.730 4.923 -5.724 1.00 0.00 C ATOM 768 CG ARG A 50 -25.919 3.755 -4.769 1.00 0.00 C ATOM 769 CD ARG A 50 -25.560 2.433 -5.428 1.00 0.00 C ATOM 770 NE ARG A 50 -26.586 1.993 -6.370 1.00 0.00 N ATOM 771 CZ ARG A 50 -26.724 0.735 -6.772 1.00 0.00 C ATOM 772 NH1 ARG A 50 -25.905 -0.204 -6.318 1.00 0.00 N ATOM 773 NH2 ARG A 50 -27.683 0.413 -7.631 1.00 0.00 N ATOM 0 H ARG A 50 -23.928 6.712 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.738 4.352 -6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.226 5.802 -5.312 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.222 4.692 -6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.299 3.902 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -26.955 3.725 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -24.609 2.535 -5.950 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -25.422 1.671 -4.661 1.00 0.00 H new ATOM 0 HE ARG A 50 -27.232 2.691 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -25.166 0.039 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -26.014 -1.169 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -28.315 1.132 -7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -27.788 -0.554 -7.939 1.00 0.00 H new ATOM 787 N LEU A 51 -23.487 5.882 -8.208 1.00 0.00 N ATOM 788 CA LEU A 51 -23.319 6.755 -9.365 1.00 0.00 C ATOM 789 C LEU A 51 -24.388 6.476 -10.416 1.00 0.00 C ATOM 790 O LEU A 51 -24.749 5.324 -10.658 1.00 0.00 O ATOM 791 CB LEU A 51 -21.928 6.567 -9.973 1.00 0.00 C ATOM 792 CG LEU A 51 -20.787 7.314 -9.281 1.00 0.00 C ATOM 793 CD1 LEU A 51 -21.051 8.811 -9.280 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.600 6.803 -7.859 1.00 0.00 C ATOM 0 H LEU A 51 -23.045 4.968 -8.302 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.425 7.787 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.693 5.503 -9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.963 6.883 -11.016 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.868 7.129 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.228 9.325 -8.783 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -21.134 9.167 -10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.980 9.016 -8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.784 7.346 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.519 6.958 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.363 5.739 -7.883 1.00 0.00 H new ATOM 806 N ILE A 52 -24.888 7.538 -11.040 1.00 0.00 N ATOM 807 CA ILE A 52 -25.913 7.407 -12.068 1.00 0.00 C ATOM 808 C ILE A 52 -25.429 7.967 -13.401 1.00 0.00 C ATOM 809 O ILE A 52 -24.806 9.028 -13.452 1.00 0.00 O ATOM 810 CB ILE A 52 -27.212 8.128 -11.663 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.522 7.876 -10.186 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.368 7.667 -12.538 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.646 6.409 -9.836 1.00 0.00 C ATOM 0 H ILE A 52 -24.600 8.498 -10.851 1.00 0.00 H new ATOM 0 HA ILE A 52 -26.117 6.342 -12.176 1.00 0.00 H new ATOM 0 HB ILE A 52 -27.076 9.200 -11.809 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.735 8.321 -9.577 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.451 8.383 -9.927 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -29.279 8.185 -12.240 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -28.147 7.893 -13.581 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.507 6.592 -12.421 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.866 6.306 -8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.452 5.963 -10.419 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.709 5.900 -10.063 1.00 0.00 H new ATOM 825 N PHE A 53 -25.720 7.247 -14.480 1.00 0.00 N ATOM 826 CA PHE A 53 -25.315 7.672 -15.815 1.00 0.00 C ATOM 827 C PHE A 53 -26.403 7.359 -16.838 1.00 0.00 C ATOM 828 O PHE A 53 -26.736 6.197 -17.070 1.00 0.00 O ATOM 829 CB PHE A 53 -24.008 6.987 -16.217 1.00 0.00 C ATOM 830 CG PHE A 53 -23.327 7.635 -17.388 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.787 8.906 -17.276 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.226 6.973 -18.601 1.00 0.00 C ATOM 833 CE1 PHE A 53 -22.161 9.505 -18.352 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.600 7.567 -19.681 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.066 8.834 -19.556 1.00 0.00 C ATOM 0 H PHE A 53 -26.235 6.367 -14.456 1.00 0.00 H new ATOM 0 HA PHE A 53 -25.159 8.751 -15.795 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.329 6.990 -15.365 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.213 5.944 -16.458 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.856 9.435 -16.337 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -23.641 5.981 -18.704 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.746 10.497 -18.252 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -22.529 7.041 -20.621 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.575 9.300 -20.398 1.00 0.00 H new ATOM 845 N ALA A 54 -26.952 8.404 -17.448 1.00 0.00 N ATOM 846 CA ALA A 54 -28.000 8.242 -18.447 1.00 0.00 C ATOM 847 C ALA A 54 -29.194 7.487 -17.873 1.00 0.00 C ATOM 848 O ALA A 54 -29.884 6.761 -18.588 1.00 0.00 O ATOM 849 CB ALA A 54 -27.456 7.520 -19.671 1.00 0.00 C ATOM 0 H ALA A 54 -26.688 9.373 -17.267 1.00 0.00 H new ATOM 0 HA ALA A 54 -28.340 9.234 -18.745 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.250 7.406 -20.409 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.640 8.100 -20.103 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -27.088 6.536 -19.379 1.00 0.00 H new ATOM 855 N GLY A 55 -29.432 7.662 -16.577 1.00 0.00 N ATOM 856 CA GLY A 55 -30.543 6.990 -15.928 1.00 0.00 C ATOM 857 C GLY A 55 -30.191 5.584 -15.486 1.00 0.00 C ATOM 858 O GLY A 55 -30.983 4.917 -14.819 1.00 0.00 O ATOM 0 H GLY A 55 -28.875 8.258 -15.964 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.860 7.571 -15.062 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.390 6.951 -16.613 1.00 0.00 H new ATOM 862 N LYS A 56 -28.999 5.129 -15.858 1.00 0.00 N ATOM 863 CA LYS A 56 -28.542 3.792 -15.496 1.00 0.00 C ATOM 864 C LYS A 56 -27.597 3.845 -14.301 1.00 0.00 C ATOM 865 O LYS A 56 -26.594 4.558 -14.324 1.00 0.00 O ATOM 866 CB LYS A 56 -27.842 3.131 -16.685 1.00 0.00 C ATOM 867 CG LYS A 56 -27.338 1.728 -16.391 1.00 0.00 C ATOM 868 CD LYS A 56 -26.581 1.148 -17.574 1.00 0.00 C ATOM 869 CE LYS A 56 -26.365 -0.349 -17.418 1.00 0.00 C ATOM 870 NZ LYS A 56 -25.471 -0.663 -16.268 1.00 0.00 N ATOM 0 H LYS A 56 -28.331 5.667 -16.410 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.414 3.199 -15.220 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.534 3.091 -17.527 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.001 3.753 -16.993 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -26.687 1.750 -15.517 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -28.181 1.082 -16.145 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -27.135 1.343 -18.492 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -25.617 1.648 -17.671 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -27.327 -0.842 -17.276 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -25.933 -0.751 -18.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -25.348 -1.693 -16.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -24.545 -0.214 -16.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -25.895 -0.302 -15.390 1.00 0.00 H new ATOM 884 N GLN A 57 -27.923 3.086 -13.260 1.00 0.00 N ATOM 885 CA GLN A 57 -27.101 3.048 -12.056 1.00 0.00 C ATOM 886 C GLN A 57 -25.785 2.323 -12.318 1.00 0.00 C ATOM 887 O GLN A 57 -25.771 1.131 -12.627 1.00 0.00 O ATOM 888 CB GLN A 57 -27.857 2.360 -10.918 1.00 0.00 C ATOM 889 CG GLN A 57 -28.316 0.951 -11.258 1.00 0.00 C ATOM 890 CD GLN A 57 -29.619 0.581 -10.576 1.00 0.00 C ATOM 891 OE1 GLN A 57 -29.673 -0.359 -9.782 1.00 0.00 O ATOM 892 NE2 GLN A 57 -30.678 1.321 -10.882 1.00 0.00 N ATOM 0 H GLN A 57 -28.750 2.490 -13.226 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.878 4.075 -11.767 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.216 2.322 -10.038 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.726 2.963 -10.654 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.438 0.863 -12.338 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -27.543 0.241 -10.966 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -30.588 2.091 -11.545 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -31.582 1.120 -10.454 1.00 0.00 H new ATOM 901 N LEU A 58 -24.680 3.050 -12.194 1.00 0.00 N ATOM 902 CA LEU A 58 -23.357 2.477 -12.418 1.00 0.00 C ATOM 903 C LEU A 58 -22.917 1.639 -11.222 1.00 0.00 C ATOM 904 O LEU A 58 -23.273 1.933 -10.082 1.00 0.00 O ATOM 905 CB LEU A 58 -22.337 3.586 -12.681 1.00 0.00 C ATOM 906 CG LEU A 58 -22.779 4.691 -13.642 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.809 5.861 -13.592 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.894 4.151 -15.060 1.00 0.00 C ATOM 0 H LEU A 58 -24.674 4.038 -11.939 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.412 1.828 -13.292 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.075 4.045 -11.728 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.429 3.131 -13.076 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.761 5.046 -13.330 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.139 6.637 -14.282 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.777 6.264 -12.580 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.814 5.521 -13.878 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -23.209 4.951 -15.730 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.926 3.768 -15.383 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.629 3.347 -15.084 1.00 0.00 H new ATOM 920 N GLU A 59 -22.139 0.595 -11.492 1.00 0.00 N ATOM 921 CA GLU A 59 -21.650 -0.284 -10.436 1.00 0.00 C ATOM 922 C GLU A 59 -20.232 -0.761 -10.740 1.00 0.00 C ATOM 923 O GLU A 59 -19.724 -0.569 -11.845 1.00 0.00 O ATOM 924 CB GLU A 59 -22.580 -1.488 -10.272 1.00 0.00 C ATOM 925 CG GLU A 59 -23.723 -1.245 -9.301 1.00 0.00 C ATOM 926 CD GLU A 59 -23.312 -1.441 -7.855 1.00 0.00 C ATOM 927 OE1 GLU A 59 -22.815 -0.474 -7.242 1.00 0.00 O ATOM 928 OE2 GLU A 59 -23.488 -2.564 -7.336 1.00 0.00 O ATOM 0 H GLU A 59 -21.834 0.338 -12.431 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.634 0.283 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.992 -1.754 -11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.997 -2.343 -9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -24.098 -0.230 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.545 -1.922 -9.536 1.00 0.00 H new ATOM 935 N ASP A 60 -19.599 -1.383 -9.751 1.00 0.00 N ATOM 936 CA ASP A 60 -18.241 -1.888 -9.911 1.00 0.00 C ATOM 937 C ASP A 60 -18.166 -2.894 -11.055 1.00 0.00 C ATOM 938 O ASP A 60 -19.171 -3.192 -11.700 1.00 0.00 O ATOM 939 CB ASP A 60 -17.759 -2.537 -8.613 1.00 0.00 C ATOM 940 CG ASP A 60 -18.234 -3.970 -8.470 1.00 0.00 C ATOM 941 OD1 ASP A 60 -19.455 -4.176 -8.305 1.00 0.00 O ATOM 942 OD2 ASP A 60 -17.386 -4.884 -8.525 1.00 0.00 O ATOM 0 H ASP A 60 -20.005 -1.549 -8.830 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.593 -1.045 -10.149 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.670 -2.514 -8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.115 -1.953 -7.764 1.00 0.00 H new ATOM 947 N GLY A 61 -16.968 -3.414 -11.302 1.00 0.00 N ATOM 948 CA GLY A 61 -16.784 -4.381 -12.370 1.00 0.00 C ATOM 949 C GLY A 61 -16.375 -3.730 -13.676 1.00 0.00 C ATOM 950 O GLY A 61 -15.452 -4.194 -14.346 1.00 0.00 O ATOM 0 H GLY A 61 -16.121 -3.183 -10.782 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.024 -5.104 -12.074 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.711 -4.935 -12.518 1.00 0.00 H new ATOM 954 N ARG A 62 -17.065 -2.654 -14.041 1.00 0.00 N ATOM 955 CA ARG A 62 -16.770 -1.941 -15.278 1.00 0.00 C ATOM 956 C ARG A 62 -15.871 -0.738 -15.011 1.00 0.00 C ATOM 957 O ARG A 62 -15.665 -0.345 -13.862 1.00 0.00 O ATOM 958 CB ARG A 62 -18.066 -1.484 -15.950 1.00 0.00 C ATOM 959 CG ARG A 62 -18.603 -2.472 -16.973 1.00 0.00 C ATOM 960 CD ARG A 62 -18.912 -3.819 -16.338 1.00 0.00 C ATOM 961 NE ARG A 62 -19.288 -4.820 -17.333 1.00 0.00 N ATOM 962 CZ ARG A 62 -19.832 -5.992 -17.026 1.00 0.00 C ATOM 963 NH1 ARG A 62 -20.062 -6.309 -15.760 1.00 0.00 N ATOM 964 NH2 ARG A 62 -20.147 -6.850 -17.988 1.00 0.00 N ATOM 0 H ARG A 62 -17.832 -2.257 -13.498 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.245 -2.624 -15.945 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.824 -1.319 -15.184 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.893 -0.525 -16.439 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -19.506 -2.069 -17.431 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.873 -2.604 -17.771 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.040 -4.168 -15.785 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.721 -3.703 -15.617 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.124 -4.607 -18.317 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.821 -5.652 -15.018 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -20.480 -7.210 -15.528 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.971 -6.609 -18.964 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -20.565 -7.750 -17.752 1.00 0.00 H new ATOM 978 N THR A 63 -15.336 -0.155 -16.080 1.00 0.00 N ATOM 979 CA THR A 63 -14.459 1.002 -15.961 1.00 0.00 C ATOM 980 C THR A 63 -15.131 2.260 -16.500 1.00 0.00 C ATOM 981 O THR A 63 -16.075 2.183 -17.287 1.00 0.00 O ATOM 982 CB THR A 63 -13.133 0.781 -16.713 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.428 2.021 -16.840 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.385 0.192 -18.093 1.00 0.00 C ATOM 0 H THR A 63 -15.496 -0.466 -17.038 1.00 0.00 H new ATOM 0 HA THR A 63 -14.250 1.132 -14.899 1.00 0.00 H new ATOM 0 HB THR A 63 -12.529 0.078 -16.139 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.293 2.413 -15.952 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.434 0.045 -18.605 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.895 -0.766 -17.992 1.00 0.00 H new ATOM 0 HG23 THR A 63 -14.007 0.875 -18.672 1.00 0.00 H new ATOM 992 N LEU A 64 -14.639 3.417 -16.072 1.00 0.00 N ATOM 993 CA LEU A 64 -15.193 4.693 -16.512 1.00 0.00 C ATOM 994 C LEU A 64 -15.249 4.766 -18.034 1.00 0.00 C ATOM 995 O LEU A 64 -16.157 5.371 -18.604 1.00 0.00 O ATOM 996 CB LEU A 64 -14.355 5.850 -15.965 1.00 0.00 C ATOM 997 CG LEU A 64 -14.583 6.207 -14.495 1.00 0.00 C ATOM 998 CD1 LEU A 64 -16.054 6.491 -14.236 1.00 0.00 C ATOM 999 CD2 LEU A 64 -14.086 5.088 -13.592 1.00 0.00 C ATOM 0 H LEU A 64 -13.858 3.498 -15.421 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.209 4.773 -16.125 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.302 5.605 -16.100 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.556 6.735 -16.569 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.016 7.109 -14.268 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.196 6.743 -13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.378 7.326 -14.857 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.644 5.607 -14.480 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.256 5.359 -12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.626 4.169 -13.821 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.020 4.933 -13.757 1.00 0.00 H new ATOM 1011 N SER A 65 -14.272 4.145 -18.688 1.00 0.00 N ATOM 1012 CA SER A 65 -14.209 4.141 -20.145 1.00 0.00 C ATOM 1013 C SER A 65 -15.306 3.258 -20.733 1.00 0.00 C ATOM 1014 O SER A 65 -15.824 3.533 -21.815 1.00 0.00 O ATOM 1015 CB SER A 65 -12.838 3.652 -20.616 1.00 0.00 C ATOM 1016 OG SER A 65 -12.773 3.602 -22.030 1.00 0.00 O ATOM 0 H SER A 65 -13.513 3.638 -18.232 1.00 0.00 H new ATOM 0 HA SER A 65 -14.362 5.162 -20.494 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.061 4.316 -20.236 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.640 2.662 -20.204 1.00 0.00 H new ATOM 0 HG SER A 65 -11.887 3.288 -22.306 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.654 2.197 -20.012 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.689 1.274 -20.463 1.00 0.00 C ATOM 1024 C GLU A 66 -18.076 1.888 -20.297 1.00 0.00 C ATOM 1025 O GLU A 66 -19.026 1.495 -20.975 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.605 -0.041 -19.685 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.562 -1.004 -20.228 1.00 0.00 C ATOM 1028 CD GLU A 66 -16.037 -1.740 -21.466 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -17.045 -2.471 -21.370 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -15.401 -1.585 -22.529 1.00 0.00 O ATOM 0 H GLU A 66 -15.235 1.955 -19.114 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.524 1.073 -21.522 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.377 0.178 -18.642 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.580 -0.527 -19.703 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.652 -0.453 -20.464 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.304 -1.728 -19.455 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.185 2.853 -19.391 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.456 3.520 -19.133 1.00 0.00 C ATOM 1039 C TYR A 67 -19.610 4.758 -20.011 1.00 0.00 C ATOM 1040 O TYR A 67 -20.491 5.586 -19.786 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.560 3.911 -17.658 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.976 2.770 -16.757 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.152 2.069 -16.989 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.192 2.395 -15.672 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.536 1.026 -16.168 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.568 1.353 -14.847 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.741 0.672 -15.099 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.119 -0.366 -14.278 1.00 0.00 O ATOM 0 H TYR A 67 -17.408 3.191 -18.823 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.259 2.823 -19.375 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.596 4.294 -17.323 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.279 4.724 -17.556 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.777 2.344 -17.826 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.274 2.927 -15.471 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.454 0.491 -16.363 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.947 1.073 -14.009 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.491 -0.436 -13.529 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.745 4.875 -21.014 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.783 6.011 -21.927 1.00 0.00 C ATOM 1060 C ASN A 68 -18.565 7.321 -21.176 1.00 0.00 C ATOM 1061 O ASN A 68 -18.999 8.383 -21.621 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.122 6.052 -22.668 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.553 4.684 -23.159 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -19.881 4.069 -23.987 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -21.680 4.200 -22.648 1.00 0.00 N ATOM 0 H ASN A 68 -18.010 4.197 -21.215 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.977 5.890 -22.651 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.888 6.455 -22.006 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -20.044 6.732 -23.517 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -22.020 3.284 -22.940 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -22.205 4.745 -21.964 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.888 7.236 -20.036 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.611 8.414 -19.224 1.00 0.00 C ATOM 1074 C ILE A 69 -16.300 9.073 -19.641 1.00 0.00 C ATOM 1075 O ILE A 69 -15.221 8.641 -19.236 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.541 8.063 -17.726 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.864 7.450 -17.262 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.208 9.300 -16.906 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.754 6.689 -15.959 1.00 0.00 C ATOM 0 H ILE A 69 -17.521 6.364 -19.654 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.434 9.110 -19.388 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.749 7.329 -17.577 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.603 8.243 -17.149 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.235 6.778 -18.036 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.162 9.035 -15.850 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.244 9.698 -17.222 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -17.979 10.055 -17.057 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.729 6.282 -15.692 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.040 5.874 -16.073 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.414 7.362 -15.172 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.403 10.121 -20.451 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.225 10.841 -20.923 1.00 0.00 C ATOM 1093 C GLN A 70 -14.796 11.901 -19.914 1.00 0.00 C ATOM 1094 O GLN A 70 -15.294 11.942 -18.790 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.507 11.492 -22.277 1.00 0.00 C ATOM 1096 CG GLN A 70 -16.079 10.531 -23.307 1.00 0.00 C ATOM 1097 CD GLN A 70 -15.042 9.562 -23.840 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -14.816 8.498 -23.263 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -14.404 9.926 -24.946 1.00 0.00 N ATOM 0 H GLN A 70 -17.289 10.491 -20.794 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.412 10.123 -21.037 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.205 12.317 -22.136 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.582 11.919 -22.665 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.899 9.970 -22.859 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.499 11.101 -24.136 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.623 10.817 -25.391 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.695 9.315 -25.350 1.00 0.00 H new ATOM 1108 N LYS A 71 -13.867 12.758 -20.325 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.370 13.821 -19.459 1.00 0.00 C ATOM 1110 C LYS A 71 -14.336 15.001 -19.436 1.00 0.00 C ATOM 1111 O LYS A 71 -14.111 15.985 -18.732 1.00 0.00 O ATOM 1112 CB LYS A 71 -11.990 14.286 -19.928 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.030 15.136 -21.187 1.00 0.00 C ATOM 1114 CD LYS A 71 -10.639 15.355 -21.757 1.00 0.00 C ATOM 1115 CE LYS A 71 -10.210 14.195 -22.642 1.00 0.00 C ATOM 1116 NZ LYS A 71 -8.741 14.194 -22.882 1.00 0.00 N ATOM 0 H LYS A 71 -13.443 12.737 -21.253 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.288 13.423 -18.448 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.517 14.857 -19.129 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.364 13.413 -20.109 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.658 14.651 -21.934 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.488 16.099 -20.962 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.623 16.280 -22.334 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.925 15.475 -20.942 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.502 13.255 -22.175 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.734 14.253 -23.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.489 13.388 -23.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.465 15.080 -23.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.241 14.113 -21.974 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.411 14.895 -20.210 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.411 15.955 -20.278 1.00 0.00 C ATOM 1132 C GLU A 72 -17.817 15.387 -20.109 1.00 0.00 C ATOM 1133 O GLU A 72 -18.795 15.975 -20.572 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.307 16.700 -21.610 1.00 0.00 C ATOM 1135 CG GLU A 72 -16.234 15.782 -22.818 1.00 0.00 C ATOM 1136 CD GLU A 72 -16.381 16.529 -24.129 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -15.980 17.710 -24.187 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -16.898 15.932 -25.097 1.00 0.00 O ATOM 0 H GLU A 72 -15.612 14.087 -20.799 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.219 16.654 -19.464 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.169 17.358 -21.716 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.421 17.335 -21.593 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.281 15.253 -22.811 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.018 15.028 -22.744 1.00 0.00 H new ATOM 1145 N SER A 73 -17.910 14.241 -19.443 1.00 0.00 N ATOM 1146 CA SER A 73 -19.196 13.591 -19.216 1.00 0.00 C ATOM 1147 C SER A 73 -19.862 14.130 -17.954 1.00 0.00 C ATOM 1148 O SER A 73 -19.199 14.678 -17.073 1.00 0.00 O ATOM 1149 CB SER A 73 -19.012 12.076 -19.102 1.00 0.00 C ATOM 1150 OG SER A 73 -20.110 11.385 -19.674 1.00 0.00 O ATOM 0 H SER A 73 -17.111 13.743 -19.051 1.00 0.00 H new ATOM 0 HA SER A 73 -19.841 13.809 -20.067 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.091 11.780 -19.603 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.909 11.797 -18.053 1.00 0.00 H new ATOM 0 HG SER A 73 -20.337 10.612 -19.116 1.00 0.00 H new ATOM 1156 N THR A 74 -21.179 13.970 -17.873 1.00 0.00 N ATOM 1157 CA THR A 74 -21.937 14.441 -16.720 1.00 0.00 C ATOM 1158 C THR A 74 -22.397 13.275 -15.851 1.00 0.00 C ATOM 1159 O THR A 74 -23.216 12.458 -16.274 1.00 0.00 O ATOM 1160 CB THR A 74 -23.167 15.261 -17.153 1.00 0.00 C ATOM 1161 OG1 THR A 74 -22.948 15.823 -18.451 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.454 16.372 -16.155 1.00 0.00 C ATOM 0 H THR A 74 -21.743 13.518 -18.592 1.00 0.00 H new ATOM 0 HA THR A 74 -21.269 15.080 -16.142 1.00 0.00 H new ATOM 0 HB THR A 74 -24.028 14.594 -17.187 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.735 16.341 -18.720 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.327 16.938 -16.481 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.649 15.939 -15.174 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.593 17.037 -16.093 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.867 13.204 -14.636 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.225 12.138 -13.706 1.00 0.00 C ATOM 1172 C LEU A 75 -23.198 12.644 -12.646 1.00 0.00 C ATOM 1173 O LEU A 75 -23.226 13.834 -12.331 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.969 11.577 -13.036 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.513 10.198 -13.513 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.558 9.145 -13.178 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -20.233 10.217 -15.009 1.00 0.00 C ATOM 0 H LEU A 75 -21.188 13.872 -14.271 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.714 11.344 -14.271 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.152 12.282 -13.193 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.146 11.528 -11.962 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.589 9.942 -12.994 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.216 8.170 -13.525 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.710 9.113 -12.099 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.498 9.396 -13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.910 9.227 -15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -21.140 10.495 -15.545 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.448 10.943 -15.223 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.994 11.732 -12.097 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.967 12.084 -11.070 1.00 0.00 C ATOM 1191 C HIS A 76 -24.763 11.241 -9.815 1.00 0.00 C ATOM 1192 O HIS A 76 -24.907 10.018 -9.847 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.389 11.897 -11.599 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.894 13.066 -12.388 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -27.151 14.299 -11.826 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -27.187 13.186 -13.704 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.583 15.125 -12.762 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.613 14.475 -13.911 1.00 0.00 N ATOM 0 H HIS A 76 -23.984 10.743 -12.347 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.819 13.132 -10.809 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.420 11.006 -12.226 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -27.060 11.719 -10.759 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -27.102 12.412 -14.452 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -27.864 16.157 -12.613 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -27.905 14.867 -14.806 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.426 11.901 -8.713 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.201 11.211 -7.447 1.00 0.00 C ATOM 1208 C LEU A 77 -25.443 11.277 -6.563 1.00 0.00 C ATOM 1209 O LEU A 77 -25.905 12.360 -6.204 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.007 11.824 -6.715 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.130 13.304 -6.351 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -23.480 13.465 -4.880 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -21.840 14.043 -6.679 1.00 0.00 C ATOM 0 H LEU A 77 -24.302 12.913 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 77 -23.987 10.164 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -22.839 11.258 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.121 11.696 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 77 -23.935 13.739 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -23.563 14.525 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -24.430 12.971 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -22.698 13.015 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -21.946 15.095 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.017 13.607 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -21.633 13.957 -7.746 1.00 0.00 H new ATOM 1225 N VAL A 78 -25.977 10.111 -6.213 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.162 10.036 -5.368 1.00 0.00 C ATOM 1227 C VAL A 78 -26.831 9.431 -4.009 1.00 0.00 C ATOM 1228 O VAL A 78 -26.332 8.308 -3.922 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.273 9.202 -6.033 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.007 10.026 -7.080 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -27.693 7.937 -6.648 1.00 0.00 C ATOM 0 H VAL A 78 -25.607 9.205 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.518 11.057 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 78 -28.992 8.910 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.788 9.419 -7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.456 10.899 -6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.303 10.351 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.492 7.360 -7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -26.952 8.205 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.219 7.339 -5.870 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.112 10.180 -2.949 1.00 0.00 N ATOM 1242 CA LEU A 79 -26.844 9.718 -1.592 1.00 0.00 C ATOM 1243 C LEU A 79 -28.142 9.374 -0.868 1.00 0.00 C ATOM 1244 O LEU A 79 -29.138 10.088 -0.986 1.00 0.00 O ATOM 1245 CB LEU A 79 -26.078 10.786 -0.809 1.00 0.00 C ATOM 1246 CG LEU A 79 -24.561 10.798 -0.999 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -24.209 10.922 -2.473 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -23.933 11.932 -0.202 1.00 0.00 C ATOM 0 H LEU A 79 -27.526 11.111 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.234 8.817 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -26.467 11.764 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -26.290 10.653 0.252 1.00 0.00 H new ATOM 0 HG LEU A 79 -24.160 9.854 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -23.125 10.929 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -24.627 10.076 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -24.622 11.850 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -22.853 11.925 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -24.340 12.884 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -24.156 11.800 0.857 1.00 0.00 H new ATOM 1260 N ARG A 80 -28.123 8.276 -0.118 1.00 0.00 N ATOM 1261 CA ARG A 80 -29.297 7.838 0.626 1.00 0.00 C ATOM 1262 C ARG A 80 -29.232 8.314 2.074 1.00 0.00 C ATOM 1263 O ARG A 80 -30.259 8.603 2.691 1.00 0.00 O ATOM 1264 CB ARG A 80 -29.415 6.314 0.584 1.00 0.00 C ATOM 1265 CG ARG A 80 -30.843 5.809 0.708 1.00 0.00 C ATOM 1266 CD ARG A 80 -31.674 6.184 -0.509 1.00 0.00 C ATOM 1267 NE ARG A 80 -32.933 5.444 -0.561 1.00 0.00 N ATOM 1268 CZ ARG A 80 -33.806 5.549 -1.557 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -33.558 6.357 -2.578 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -34.929 4.843 -1.533 1.00 0.00 N ATOM 0 H ARG A 80 -27.307 7.674 -0.010 1.00 0.00 H new ATOM 0 HA ARG A 80 -30.178 8.277 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -28.990 5.951 -0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -28.817 5.890 1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -30.838 4.725 0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -31.301 6.226 1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -31.883 7.254 -0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -31.100 5.987 -1.415 1.00 0.00 H new ATOM 0 HE ARG A 80 -33.154 4.813 0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -32.695 6.900 -2.601 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -34.230 6.435 -3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -35.123 4.219 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -35.599 4.924 -2.298 1.00 0.00 H new ATOM 1284 N LEU A 81 -28.020 8.393 2.612 1.00 0.00 N ATOM 1285 CA LEU A 81 -27.821 8.834 3.988 1.00 0.00 C ATOM 1286 C LEU A 81 -27.221 10.236 4.029 1.00 0.00 C ATOM 1287 O LEU A 81 -26.917 10.823 2.990 1.00 0.00 O ATOM 1288 CB LEU A 81 -26.910 7.855 4.731 1.00 0.00 C ATOM 1289 CG LEU A 81 -27.590 6.617 5.316 1.00 0.00 C ATOM 1290 CD1 LEU A 81 -27.980 5.649 4.210 1.00 0.00 C ATOM 1291 CD2 LEU A 81 -26.679 5.936 6.327 1.00 0.00 C ATOM 0 H LEU A 81 -27.160 8.157 2.116 1.00 0.00 H new ATOM 0 HA LEU A 81 -28.794 8.861 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -26.128 7.526 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -26.418 8.392 5.542 1.00 0.00 H new ATOM 0 HG LEU A 81 -28.498 6.933 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -28.463 4.774 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -28.670 6.140 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -27.087 5.338 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -27.179 5.057 6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -25.754 5.633 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -26.451 6.630 7.136 1.00 0.00 H new ATOM 1303 N ARG A 82 -27.051 10.766 5.236 1.00 0.00 N ATOM 1304 CA ARG A 82 -26.487 12.098 5.413 1.00 0.00 C ATOM 1305 C ARG A 82 -26.353 12.440 6.894 1.00 0.00 C ATOM 1306 O ARG A 82 -27.298 12.281 7.666 1.00 0.00 O ATOM 1307 CB ARG A 82 -27.360 13.142 4.714 1.00 0.00 C ATOM 1308 CG ARG A 82 -26.973 14.576 5.038 1.00 0.00 C ATOM 1309 CD ARG A 82 -25.539 14.872 4.628 1.00 0.00 C ATOM 1310 NE ARG A 82 -25.378 14.889 3.176 1.00 0.00 N ATOM 1311 CZ ARG A 82 -24.210 14.726 2.564 1.00 0.00 C ATOM 1312 NH1 ARG A 82 -23.107 14.535 3.275 1.00 0.00 N ATOM 1313 NH2 ARG A 82 -24.144 14.754 1.239 1.00 0.00 N ATOM 0 H ARG A 82 -27.296 10.293 6.106 1.00 0.00 H new ATOM 0 HA ARG A 82 -25.493 12.107 4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -27.297 12.993 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -28.400 12.982 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -27.648 15.261 4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -27.091 14.753 6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -25.236 15.836 5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -24.877 14.121 5.058 1.00 0.00 H new ATOM 0 HE ARG A 82 -26.208 15.034 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -23.154 14.513 4.294 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.211 14.410 2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -24.991 14.901 0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -23.247 14.629 0.770 1.00 0.00 H new ATOM 1327 N GLY A 83 -25.172 12.911 7.283 1.00 0.00 N ATOM 1328 CA GLY A 83 -24.936 13.267 8.670 1.00 0.00 C ATOM 1329 C GLY A 83 -25.977 14.230 9.207 1.00 0.00 C ATOM 1330 O GLY A 83 -26.690 13.916 10.161 1.00 0.00 O ATOM 0 H GLY A 83 -24.375 13.052 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -24.934 12.363 9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -23.947 13.716 8.763 1.00 0.00 H new ATOM 1334 N TYR A 84 -26.064 15.405 8.594 1.00 0.00 N ATOM 1335 CA TYR A 84 -27.022 16.419 9.019 1.00 0.00 C ATOM 1336 C TYR A 84 -26.984 17.628 8.089 1.00 0.00 C ATOM 1337 O TYR A 84 -28.020 18.202 7.755 1.00 0.00 O ATOM 1338 CB TYR A 84 -26.731 16.857 10.455 1.00 0.00 C ATOM 1339 CG TYR A 84 -25.257 17.001 10.757 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -24.579 18.177 10.460 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -24.541 15.962 11.339 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -23.232 18.313 10.733 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -23.194 16.090 11.617 1.00 0.00 C ATOM 1344 CZ TYR A 84 -22.544 17.267 11.312 1.00 0.00 C ATOM 1345 OH TYR A 84 -21.202 17.398 11.586 1.00 0.00 O ATOM 0 H TYR A 84 -25.483 15.679 7.802 1.00 0.00 H new ATOM 0 HA TYR A 84 -28.019 15.981 8.975 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -27.227 17.809 10.643 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -27.165 16.131 11.142 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -25.115 18.999 10.008 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -25.047 15.038 11.578 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -22.720 19.234 10.494 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -22.653 15.273 12.071 1.00 0.00 H new ATOM 0 HH TYR A 84 -20.869 16.571 11.994 1.00 0.00 H new ATOM 1355 N ALA A 85 -25.780 18.009 7.675 1.00 0.00 N ATOM 1356 CA ALA A 85 -25.605 19.148 6.782 1.00 0.00 C ATOM 1357 C ALA A 85 -24.135 19.347 6.428 1.00 0.00 C ATOM 1358 O ALA A 85 -23.447 20.170 7.034 1.00 0.00 O ATOM 1359 CB ALA A 85 -26.173 20.409 7.416 1.00 0.00 C ATOM 0 H ALA A 85 -24.912 17.546 7.944 1.00 0.00 H new ATOM 0 HA ALA A 85 -26.149 18.942 5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -26.035 21.251 6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -27.236 20.271 7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -25.655 20.610 8.354 1.00 0.00 H new ATOM 1365 N ASP A 86 -23.659 18.590 5.446 1.00 0.00 N ATOM 1366 CA ASP A 86 -22.270 18.684 5.012 1.00 0.00 C ATOM 1367 C ASP A 86 -21.897 20.129 4.694 1.00 0.00 C ATOM 1368 O ASP A 86 -22.762 20.953 4.395 1.00 0.00 O ATOM 1369 CB ASP A 86 -22.036 17.801 3.786 1.00 0.00 C ATOM 1370 CG ASP A 86 -20.624 17.251 3.730 1.00 0.00 C ATOM 1371 OD1 ASP A 86 -20.372 16.200 4.356 1.00 0.00 O ATOM 1372 OD2 ASP A 86 -19.773 17.870 3.059 1.00 0.00 O ATOM 0 H ASP A 86 -24.215 17.904 4.935 1.00 0.00 H new ATOM 0 HA ASP A 86 -21.635 18.335 5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -22.745 16.973 3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -22.234 18.378 2.883 1.00 0.00 H new ATOM 1377 N LEU A 87 -20.605 20.429 4.760 1.00 0.00 N ATOM 1378 CA LEU A 87 -20.116 21.775 4.479 1.00 0.00 C ATOM 1379 C LEU A 87 -20.016 22.015 2.977 1.00 0.00 C ATOM 1380 O LEU A 87 -19.732 23.128 2.534 1.00 0.00 O ATOM 1381 CB LEU A 87 -18.751 21.990 5.134 1.00 0.00 C ATOM 1382 CG LEU A 87 -18.770 22.509 6.572 1.00 0.00 C ATOM 1383 CD1 LEU A 87 -17.356 22.609 7.123 1.00 0.00 C ATOM 1384 CD2 LEU A 87 -19.468 23.860 6.642 1.00 0.00 C ATOM 0 H LEU A 87 -19.876 19.759 5.006 1.00 0.00 H new ATOM 0 HA LEU A 87 -20.828 22.488 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -18.210 21.044 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -18.184 22.692 4.523 1.00 0.00 H new ATOM 0 HG LEU A 87 -19.328 21.801 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.390 22.980 8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.890 21.624 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.773 23.295 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -19.472 24.214 7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -18.938 24.576 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -20.494 23.758 6.289 1.00 0.00 H new ATOM 1396 N ARG A 88 -20.254 20.965 2.197 1.00 0.00 N ATOM 1397 CA ARG A 88 -20.191 21.062 0.744 1.00 0.00 C ATOM 1398 C ARG A 88 -18.825 21.570 0.292 1.00 0.00 C ATOM 1399 O ARG A 88 -18.732 22.449 -0.565 1.00 0.00 O ATOM 1400 CB ARG A 88 -21.290 21.992 0.226 1.00 0.00 C ATOM 1401 CG ARG A 88 -21.559 21.847 -1.263 1.00 0.00 C ATOM 1402 CD ARG A 88 -22.519 22.915 -1.763 1.00 0.00 C ATOM 1403 NE ARG A 88 -23.730 22.986 -0.950 1.00 0.00 N ATOM 1404 CZ ARG A 88 -24.526 24.048 -0.907 1.00 0.00 C ATOM 1405 NH1 ARG A 88 -24.240 25.123 -1.629 1.00 0.00 N ATOM 1406 NH2 ARG A 88 -25.610 24.037 -0.143 1.00 0.00 N ATOM 0 H ARG A 88 -20.492 20.037 2.548 1.00 0.00 H new ATOM 0 HA ARG A 88 -20.344 20.065 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -22.211 21.793 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -21.010 23.024 0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -20.620 21.915 -1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -21.975 20.860 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -22.020 23.884 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -22.789 22.704 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 88 -23.978 22.175 -0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -23.408 25.135 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -24.852 25.938 -1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -25.834 23.212 0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -26.220 24.854 -0.111 1.00 0.00 H new ATOM 1420 N GLU A 89 -17.769 21.012 0.874 1.00 0.00 N ATOM 1421 CA GLU A 89 -16.409 21.410 0.532 1.00 0.00 C ATOM 1422 C GLU A 89 -16.144 21.217 -0.959 1.00 0.00 C ATOM 1423 O GLU A 89 -16.900 20.534 -1.651 1.00 0.00 O ATOM 1424 CB GLU A 89 -15.396 20.604 1.348 1.00 0.00 C ATOM 1425 CG GLU A 89 -14.015 21.235 1.400 1.00 0.00 C ATOM 1426 CD GLU A 89 -14.052 22.683 1.850 1.00 0.00 C ATOM 1427 OE1 GLU A 89 -14.696 22.966 2.882 1.00 0.00 O ATOM 1428 OE2 GLU A 89 -13.438 23.531 1.170 1.00 0.00 O ATOM 0 H GLU A 89 -17.829 20.283 1.585 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.298 22.468 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.771 20.488 2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.313 19.604 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.384 20.663 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.556 21.177 0.413 1.00 0.00 H new ATOM 1435 N ASP A 90 -15.068 21.824 -1.446 1.00 0.00 N ATOM 1436 CA ASP A 90 -14.703 21.720 -2.854 1.00 0.00 C ATOM 1437 C ASP A 90 -13.215 21.424 -3.009 1.00 0.00 C ATOM 1438 O ASP A 90 -12.414 21.650 -2.102 1.00 0.00 O ATOM 1439 CB ASP A 90 -15.058 23.012 -3.592 1.00 0.00 C ATOM 1440 CG ASP A 90 -14.908 24.240 -2.715 1.00 0.00 C ATOM 1441 OD1 ASP A 90 -15.883 24.595 -2.021 1.00 0.00 O ATOM 1442 OD2 ASP A 90 -13.816 24.846 -2.724 1.00 0.00 O ATOM 0 H ASP A 90 -14.433 22.393 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 90 -15.267 20.895 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.417 23.114 -4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -16.085 22.950 -3.953 1.00 0.00 H new ATOM 1447 N PRO A 91 -12.834 20.904 -4.186 1.00 0.00 N ATOM 1448 CA PRO A 91 -11.440 20.565 -4.487 1.00 0.00 C ATOM 1449 C PRO A 91 -10.562 21.802 -4.638 1.00 0.00 C ATOM 1450 O PRO A 91 -10.732 22.586 -5.572 1.00 0.00 O ATOM 1451 CB PRO A 91 -11.538 19.813 -5.817 1.00 0.00 C ATOM 1452 CG PRO A 91 -12.791 20.317 -6.446 1.00 0.00 C ATOM 1453 CD PRO A 91 -13.735 20.609 -5.313 1.00 0.00 C ATOM 0 HA PRO A 91 -10.979 19.986 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.671 20.010 -6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.580 18.735 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.599 21.214 -7.035 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.213 19.575 -7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -14.385 21.454 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.381 19.758 -5.099 1.00 0.00 H new ATOM 1461 N ASP A 92 -9.623 21.971 -3.714 1.00 0.00 N ATOM 1462 CA ASP A 92 -8.716 23.113 -3.745 1.00 0.00 C ATOM 1463 C ASP A 92 -7.279 22.660 -3.984 1.00 0.00 C ATOM 1464 O ASP A 92 -6.465 23.406 -4.528 1.00 0.00 O ATOM 1465 CB ASP A 92 -8.806 23.899 -2.436 1.00 0.00 C ATOM 1466 CG ASP A 92 -10.183 24.491 -2.209 1.00 0.00 C ATOM 1467 OD1 ASP A 92 -10.442 25.600 -2.718 1.00 0.00 O ATOM 1468 OD2 ASP A 92 -11.001 23.845 -1.520 1.00 0.00 O ATOM 0 H ASP A 92 -9.470 21.332 -2.934 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.015 23.761 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.554 23.242 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.067 24.700 -2.445 1.00 0.00 H new ATOM 1473 N ARG A 93 -6.975 21.434 -3.572 1.00 0.00 N ATOM 1474 CA ARG A 93 -5.636 20.882 -3.738 1.00 0.00 C ATOM 1475 C ARG A 93 -5.333 20.626 -5.212 1.00 0.00 C ATOM 1476 O ARG A 93 -6.175 20.861 -6.078 1.00 0.00 O ATOM 1477 CB ARG A 93 -5.494 19.582 -2.944 1.00 0.00 C ATOM 1478 CG ARG A 93 -4.993 19.787 -1.524 1.00 0.00 C ATOM 1479 CD ARG A 93 -6.145 19.961 -0.547 1.00 0.00 C ATOM 1480 NE ARG A 93 -6.679 18.678 -0.097 1.00 0.00 N ATOM 1481 CZ ARG A 93 -7.755 18.560 0.673 1.00 0.00 C ATOM 1482 NH1 ARG A 93 -8.408 19.641 1.077 1.00 0.00 N ATOM 1483 NH2 ARG A 93 -8.180 17.358 1.041 1.00 0.00 N ATOM 0 H ARG A 93 -7.638 20.804 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.920 21.611 -3.358 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.461 19.080 -2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.808 18.918 -3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.386 18.933 -1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.348 20.665 -1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -5.806 20.535 0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.939 20.538 -1.021 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.200 17.827 -0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.084 20.567 0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.234 19.547 1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.680 16.524 0.733 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.006 17.268 1.632 1.00 0.00 H new ATOM 1497 N GLN A 94 -4.125 20.144 -5.487 1.00 0.00 N ATOM 1498 CA GLN A 94 -3.711 19.858 -6.856 1.00 0.00 C ATOM 1499 C GLN A 94 -2.761 18.666 -6.899 1.00 0.00 C ATOM 1500 O GLN A 94 -2.397 18.111 -5.862 1.00 0.00 O ATOM 1501 CB GLN A 94 -3.037 21.084 -7.474 1.00 0.00 C ATOM 1502 CG GLN A 94 -1.669 21.388 -6.886 1.00 0.00 C ATOM 1503 CD GLN A 94 -1.118 22.723 -7.347 1.00 0.00 C ATOM 1504 OE1 GLN A 94 -1.850 23.709 -7.446 1.00 0.00 O ATOM 1505 NE2 GLN A 94 0.178 22.763 -7.633 1.00 0.00 N ATOM 0 H GLN A 94 -3.417 19.944 -4.781 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.601 19.611 -7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -2.935 20.929 -8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.683 21.951 -7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.736 21.383 -5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.974 20.596 -7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.748 21.922 -7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.604 23.634 -7.949 1.00 0.00 H new ATOM 1514 N ASP A 95 -2.364 18.276 -8.105 1.00 0.00 N ATOM 1515 CA ASP A 95 -1.456 17.149 -8.284 1.00 0.00 C ATOM 1516 C ASP A 95 -0.395 17.467 -9.333 1.00 0.00 C ATOM 1517 O ASP A 95 -0.360 18.569 -9.882 1.00 0.00 O ATOM 1518 CB ASP A 95 -2.235 15.898 -8.692 1.00 0.00 C ATOM 1519 CG ASP A 95 -3.354 15.571 -7.723 1.00 0.00 C ATOM 1520 OD1 ASP A 95 -3.063 15.374 -6.524 1.00 0.00 O ATOM 1521 OD2 ASP A 95 -4.522 15.514 -8.163 1.00 0.00 O ATOM 0 H ASP A 95 -2.657 18.724 -8.974 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.957 16.962 -7.333 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.652 16.042 -9.689 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.551 15.051 -8.752 1.00 0.00 H new ATOM 1526 N HIS A 96 0.469 16.495 -9.608 1.00 0.00 N ATOM 1527 CA HIS A 96 1.532 16.672 -10.591 1.00 0.00 C ATOM 1528 C HIS A 96 1.767 15.384 -11.374 1.00 0.00 C ATOM 1529 O HIS A 96 1.046 14.401 -11.203 1.00 0.00 O ATOM 1530 CB HIS A 96 2.826 17.107 -9.902 1.00 0.00 C ATOM 1531 CG HIS A 96 3.228 16.218 -8.766 1.00 0.00 C ATOM 1532 ND1 HIS A 96 4.337 15.399 -8.808 1.00 0.00 N ATOM 1533 CD2 HIS A 96 2.664 16.023 -7.552 1.00 0.00 C ATOM 1534 CE1 HIS A 96 4.436 14.737 -7.669 1.00 0.00 C ATOM 1535 NE2 HIS A 96 3.433 15.098 -6.889 1.00 0.00 N ATOM 0 H HIS A 96 0.454 15.577 -9.164 1.00 0.00 H new ATOM 0 HA HIS A 96 1.222 17.450 -11.289 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.630 17.129 -10.638 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.706 18.125 -9.531 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.774 16.505 -7.174 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.206 14.022 -7.418 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.258 14.747 -5.947 1.00 0.00 H new ATOM 1543 N HIS A 97 2.779 15.398 -12.236 1.00 0.00 N ATOM 1544 CA HIS A 97 3.109 14.231 -13.046 1.00 0.00 C ATOM 1545 C HIS A 97 4.465 13.657 -12.646 1.00 0.00 C ATOM 1546 O HIS A 97 5.464 13.813 -13.349 1.00 0.00 O ATOM 1547 CB HIS A 97 3.115 14.599 -14.530 1.00 0.00 C ATOM 1548 CG HIS A 97 3.020 13.415 -15.442 1.00 0.00 C ATOM 1549 ND1 HIS A 97 4.115 12.856 -16.067 1.00 0.00 N ATOM 1550 CD2 HIS A 97 1.952 12.681 -15.831 1.00 0.00 C ATOM 1551 CE1 HIS A 97 3.724 11.831 -16.803 1.00 0.00 C ATOM 1552 NE2 HIS A 97 2.415 11.703 -16.677 1.00 0.00 N ATOM 0 H HIS A 97 3.384 16.204 -12.391 1.00 0.00 H new ATOM 0 HA HIS A 97 2.347 13.471 -12.871 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.281 15.271 -14.732 1.00 0.00 H new ATOM 0 HB3 HIS A 97 4.029 15.149 -14.756 1.00 0.00 H new ATOM 0 HD2 HIS A 97 0.926 12.835 -15.532 1.00 0.00 H new ATOM 0 HE1 HIS A 97 4.365 11.204 -17.405 1.00 0.00 H new ATOM 0 HE2 HIS A 97 1.842 10.994 -17.134 1.00 0.00 H new ATOM 1560 N PRO A 98 4.504 12.978 -11.491 1.00 0.00 N ATOM 1561 CA PRO A 98 5.731 12.368 -10.971 1.00 0.00 C ATOM 1562 C PRO A 98 6.181 11.171 -11.803 1.00 0.00 C ATOM 1563 O PRO A 98 5.482 10.743 -12.721 1.00 0.00 O ATOM 1564 CB PRO A 98 5.337 11.921 -9.561 1.00 0.00 C ATOM 1565 CG PRO A 98 3.861 11.729 -9.624 1.00 0.00 C ATOM 1566 CD PRO A 98 3.351 12.752 -10.602 1.00 0.00 C ATOM 0 HA PRO A 98 6.571 13.062 -10.993 1.00 0.00 H new ATOM 0 HB2 PRO A 98 5.845 10.998 -9.282 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.607 12.671 -8.818 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.613 10.719 -9.951 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.407 11.867 -8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 98 2.485 12.385 -11.153 1.00 0.00 H new ATOM 0 HD3 PRO A 98 3.044 13.670 -10.100 1.00 0.00 H new ATOM 1574 N GLY A 99 7.352 10.634 -11.475 1.00 0.00 N ATOM 1575 CA GLY A 99 7.874 9.492 -12.201 1.00 0.00 C ATOM 1576 C GLY A 99 9.207 9.017 -11.656 1.00 0.00 C ATOM 1577 O GLY A 99 9.411 8.981 -10.443 1.00 0.00 O ATOM 0 H GLY A 99 7.949 10.970 -10.719 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.154 8.675 -12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.988 9.755 -13.253 1.00 0.00 H new ATOM 1581 N SER A 100 10.115 8.652 -12.555 1.00 0.00 N ATOM 1582 CA SER A 100 11.433 8.172 -12.157 1.00 0.00 C ATOM 1583 C SER A 100 11.315 6.977 -11.215 1.00 0.00 C ATOM 1584 O SER A 100 12.177 6.755 -10.366 1.00 0.00 O ATOM 1585 CB SER A 100 12.225 9.293 -11.481 1.00 0.00 C ATOM 1586 OG SER A 100 11.965 9.332 -10.089 1.00 0.00 O ATOM 0 H SER A 100 9.962 8.679 -13.563 1.00 0.00 H new ATOM 0 HA SER A 100 11.963 7.853 -13.055 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.291 9.143 -11.651 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.962 10.251 -11.930 1.00 0.00 H new ATOM 0 HG SER A 100 11.001 9.425 -9.939 1.00 0.00 H new ATOM 1592 N GLY A 101 10.240 6.211 -11.372 1.00 0.00 N ATOM 1593 CA GLY A 101 10.027 5.049 -10.530 1.00 0.00 C ATOM 1594 C GLY A 101 10.710 3.809 -11.070 1.00 0.00 C ATOM 1595 O GLY A 101 10.896 3.670 -12.278 1.00 0.00 O ATOM 0 H GLY A 101 9.512 6.375 -12.068 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.400 5.258 -9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.957 4.861 -10.440 1.00 0.00 H new ATOM 1599 N ALA A 102 11.087 2.904 -10.172 1.00 0.00 N ATOM 1600 CA ALA A 102 11.754 1.669 -10.565 1.00 0.00 C ATOM 1601 C ALA A 102 11.438 0.540 -9.589 1.00 0.00 C ATOM 1602 O ALA A 102 10.685 0.727 -8.634 1.00 0.00 O ATOM 1603 CB ALA A 102 13.257 1.886 -10.656 1.00 0.00 C ATOM 0 H ALA A 102 10.942 3.003 -9.167 1.00 0.00 H new ATOM 0 HA ALA A 102 11.380 1.380 -11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.742 0.955 -10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.469 2.656 -11.398 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.638 2.202 -9.685 1.00 0.00 H new ATOM 1609 N GLN A 103 12.018 -0.629 -9.837 1.00 0.00 N ATOM 1610 CA GLN A 103 11.797 -1.788 -8.980 1.00 0.00 C ATOM 1611 C GLN A 103 12.998 -2.031 -8.072 1.00 0.00 C ATOM 1612 O GLN A 103 12.944 -1.769 -6.870 1.00 0.00 O ATOM 1613 CB GLN A 103 11.524 -3.032 -9.828 1.00 0.00 C ATOM 1614 CG GLN A 103 10.625 -4.049 -9.144 1.00 0.00 C ATOM 1615 CD GLN A 103 9.858 -4.907 -10.131 1.00 0.00 C ATOM 1616 OE1 GLN A 103 9.743 -4.566 -11.309 1.00 0.00 O ATOM 1617 NE2 GLN A 103 9.330 -6.029 -9.656 1.00 0.00 N ATOM 0 H GLN A 103 12.644 -0.799 -10.624 1.00 0.00 H new ATOM 0 HA GLN A 103 10.927 -1.585 -8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.064 -2.727 -10.768 1.00 0.00 H new ATOM 0 HB3 GLN A 103 12.473 -3.507 -10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 103 11.230 -4.691 -8.504 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.920 -3.528 -8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.450 -6.273 -8.673 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.805 -6.647 -10.274 1.00 0.00 H new TER 1626 GLN A 103