USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 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 USER MOD Single : A 9 MET CE :methyl -155:sc= -0.11 (180deg=-0.702) USER MOD Single : A 10 GLN : amide:sc= -1.8 X(o=-1.8,f=-1.8) USER MOD Single : A 14 LYS NZ :NH3+ -146:sc= -0.345 (180deg=-2.51) USER MOD Single : A 15 THR OG1 : rot -71:sc= -0.189 USER MOD Single : A 17 THR OG1 : rot -41:sc= 1.18 USER MOD Single : A 19 LYS NZ :NH3+ -105:sc= -0.303 (180deg=-2.09!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -70:sc= 0.0523 USER MOD Single : A 28 SER OG : rot -35:sc= 0.0785 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= -0.0687 (180deg=-1.65!) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -0.0488 (180deg=-0.32) USER MOD Single : A 39 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.6!) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.718 (180deg=-1.13) USER MOD Single : A 48 GLN : amide:sc= -1.6 K(o=-1.6,f=-7.3!) USER MOD Single : A 49 GLN : amide:sc= -2.99 K(o=-3,f=-4.2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.209 K(o=-0.21,f=-0.98) USER MOD Single : A 63 THR OG1 : rot 57:sc= 0.497 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -154:sc= 0.346 USER MOD Single : A 68 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.7!) USER MOD Single : A 70 GLN : amide:sc= -0.073 X(o=-0.073,f=-0.43) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 80:sc= -0.172 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.00027) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.687 X(o=-0.69,f=-0.84) USER MOD Single : A 96 HIS : no HD1:sc=-0.000434 X(o=-0.00043,f=-0.25) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.215 11.598 -3.326 1.00 0.00 N ATOM 2 CA GLY A 1 4.505 12.981 -3.656 1.00 0.00 C ATOM 3 C GLY A 1 3.285 13.725 -4.159 1.00 0.00 C ATOM 4 O GLY A 1 2.199 13.607 -3.592 1.00 0.00 O ATOM 0 H1 GLY A 1 5.081 11.133 -2.987 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.490 11.563 -2.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.866 11.105 -4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.897 13.487 -2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.286 13.014 -4.416 1.00 0.00 H new ATOM 8 N SER A 2 3.463 14.496 -5.228 1.00 0.00 N ATOM 9 CA SER A 2 2.368 15.267 -5.805 1.00 0.00 C ATOM 10 C SER A 2 1.923 14.667 -7.135 1.00 0.00 C ATOM 11 O SER A 2 0.750 14.340 -7.320 1.00 0.00 O ATOM 12 CB SER A 2 2.793 16.723 -6.006 1.00 0.00 C ATOM 13 OG SER A 2 3.513 17.204 -4.885 1.00 0.00 O ATOM 0 H SER A 2 4.355 14.603 -5.711 1.00 0.00 H new ATOM 0 HA SER A 2 1.527 15.233 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.410 16.805 -6.901 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.912 17.343 -6.169 1.00 0.00 H new ATOM 0 HG SER A 2 3.774 18.136 -5.039 1.00 0.00 H new ATOM 19 N LEU A 3 2.867 14.525 -8.058 1.00 0.00 N ATOM 20 CA LEU A 3 2.573 13.964 -9.373 1.00 0.00 C ATOM 21 C LEU A 3 3.432 12.733 -9.643 1.00 0.00 C ATOM 22 O LEU A 3 4.643 12.747 -9.422 1.00 0.00 O ATOM 23 CB LEU A 3 2.808 15.014 -10.461 1.00 0.00 C ATOM 24 CG LEU A 3 2.408 14.610 -11.880 1.00 0.00 C ATOM 25 CD1 LEU A 3 0.917 14.818 -12.094 1.00 0.00 C ATOM 26 CD2 LEU A 3 3.211 15.397 -12.905 1.00 0.00 C ATOM 0 H LEU A 3 3.842 14.790 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 3 1.525 13.663 -9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.258 15.916 -10.193 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.866 15.275 -10.464 1.00 0.00 H new ATOM 0 HG LEU A 3 2.628 13.551 -12.011 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.651 14.525 -13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.359 14.209 -11.383 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.671 15.869 -11.943 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.913 15.096 -13.909 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.023 16.463 -12.774 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.273 15.197 -12.767 1.00 0.00 H new ATOM 38 N VAL A 4 2.798 11.670 -10.126 1.00 0.00 N ATOM 39 CA VAL A 4 3.504 10.431 -10.430 1.00 0.00 C ATOM 40 C VAL A 4 3.408 10.094 -11.914 1.00 0.00 C ATOM 41 O VAL A 4 2.491 10.523 -12.615 1.00 0.00 O ATOM 42 CB VAL A 4 2.948 9.252 -9.610 1.00 0.00 C ATOM 43 CG1 VAL A 4 3.466 9.304 -8.181 1.00 0.00 C ATOM 44 CG2 VAL A 4 1.427 9.256 -9.635 1.00 0.00 C ATOM 0 H VAL A 4 1.796 11.642 -10.315 1.00 0.00 H new ATOM 0 HA VAL A 4 4.549 10.588 -10.163 1.00 0.00 H new ATOM 0 HB VAL A 4 3.293 8.323 -10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.062 8.463 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.555 9.248 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.153 10.238 -7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.051 8.416 -9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.059 10.189 -9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.080 9.166 -10.664 1.00 0.00 H new ATOM 54 N PRO A 5 4.376 9.307 -12.406 1.00 0.00 N ATOM 55 CA PRO A 5 4.422 8.894 -13.812 1.00 0.00 C ATOM 56 C PRO A 5 3.310 7.912 -14.164 1.00 0.00 C ATOM 57 O PRO A 5 3.519 6.699 -14.171 1.00 0.00 O ATOM 58 CB PRO A 5 5.791 8.220 -13.939 1.00 0.00 C ATOM 59 CG PRO A 5 6.111 7.752 -12.561 1.00 0.00 C ATOM 60 CD PRO A 5 5.500 8.760 -11.628 1.00 0.00 C ATOM 0 HA PRO A 5 4.282 9.736 -14.489 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.759 7.388 -14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.544 8.918 -14.305 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.703 6.757 -12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.189 7.686 -12.412 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.160 8.296 -10.702 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.213 9.537 -11.352 1.00 0.00 H new ATOM 68 N ARG A 6 2.128 8.444 -14.458 1.00 0.00 N ATOM 69 CA ARG A 6 0.983 7.614 -14.811 1.00 0.00 C ATOM 70 C ARG A 6 -0.117 8.452 -15.456 1.00 0.00 C ATOM 71 O ARG A 6 -0.267 9.635 -15.156 1.00 0.00 O ATOM 72 CB ARG A 6 0.438 6.906 -13.569 1.00 0.00 C ATOM 73 CG ARG A 6 -0.457 5.719 -13.889 1.00 0.00 C ATOM 74 CD ARG A 6 -1.275 5.297 -12.679 1.00 0.00 C ATOM 75 NE ARG A 6 -1.809 3.945 -12.824 1.00 0.00 N ATOM 76 CZ ARG A 6 -1.073 2.847 -12.695 1.00 0.00 C ATOM 77 NH1 ARG A 6 0.220 2.940 -12.420 1.00 0.00 N ATOM 78 NH2 ARG A 6 -1.632 1.652 -12.841 1.00 0.00 N ATOM 0 H ARG A 6 1.939 9.446 -14.459 1.00 0.00 H new ATOM 0 HA ARG A 6 1.315 6.866 -15.531 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.274 6.566 -12.959 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.123 7.623 -12.969 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.126 5.977 -14.710 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.154 4.882 -14.227 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.653 5.347 -11.785 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.097 5.998 -12.535 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.801 3.838 -13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.653 3.857 -12.307 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.783 2.095 -12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.627 1.577 -13.052 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.067 0.809 -12.742 1.00 0.00 H new ATOM 92 N GLY A 7 -0.884 7.828 -16.346 1.00 0.00 N ATOM 93 CA GLY A 7 -1.960 8.531 -17.020 1.00 0.00 C ATOM 94 C GLY A 7 -2.970 9.111 -16.051 1.00 0.00 C ATOM 95 O GLY A 7 -2.850 8.934 -14.839 1.00 0.00 O ATOM 0 H GLY A 7 -0.779 6.849 -16.612 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.541 9.334 -17.627 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.466 7.847 -17.701 1.00 0.00 H new ATOM 99 N SER A 8 -3.969 9.807 -16.585 1.00 0.00 N ATOM 100 CA SER A 8 -5.001 10.420 -15.759 1.00 0.00 C ATOM 101 C SER A 8 -6.051 11.110 -16.624 1.00 0.00 C ATOM 102 O SER A 8 -5.776 11.505 -17.757 1.00 0.00 O ATOM 103 CB SER A 8 -4.378 11.429 -14.792 1.00 0.00 C ATOM 104 OG SER A 8 -3.403 12.224 -15.443 1.00 0.00 O ATOM 0 H SER A 8 -4.085 9.960 -17.587 1.00 0.00 H new ATOM 0 HA SER A 8 -5.488 9.631 -15.186 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.157 12.070 -14.378 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.921 10.901 -13.955 1.00 0.00 H new ATOM 0 HG SER A 8 -3.021 12.862 -14.804 1.00 0.00 H new ATOM 110 N MET A 9 -7.256 11.252 -16.081 1.00 0.00 N ATOM 111 CA MET A 9 -8.348 11.895 -16.803 1.00 0.00 C ATOM 112 C MET A 9 -9.285 12.617 -15.840 1.00 0.00 C ATOM 113 O MET A 9 -9.656 12.076 -14.799 1.00 0.00 O ATOM 114 CB MET A 9 -9.130 10.862 -17.615 1.00 0.00 C ATOM 115 CG MET A 9 -10.414 11.408 -18.218 1.00 0.00 C ATOM 116 SD MET A 9 -10.992 10.434 -19.622 1.00 0.00 S ATOM 117 CE MET A 9 -9.728 10.807 -20.835 1.00 0.00 C ATOM 0 H MET A 9 -7.501 10.931 -15.144 1.00 0.00 H new ATOM 0 HA MET A 9 -7.917 12.630 -17.483 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.494 10.484 -18.416 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.371 10.015 -16.973 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.190 11.430 -17.452 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.252 12.437 -18.537 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.135 10.672 -21.837 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.399 11.839 -20.712 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.880 10.137 -20.695 1.00 0.00 H new ATOM 127 N GLN A 10 -9.663 13.841 -16.195 1.00 0.00 N ATOM 128 CA GLN A 10 -10.556 14.636 -15.360 1.00 0.00 C ATOM 129 C GLN A 10 -12.000 14.509 -15.833 1.00 0.00 C ATOM 130 O GLN A 10 -12.281 14.584 -17.030 1.00 0.00 O ATOM 131 CB GLN A 10 -10.130 16.105 -15.376 1.00 0.00 C ATOM 132 CG GLN A 10 -11.138 17.039 -14.725 1.00 0.00 C ATOM 133 CD GLN A 10 -10.716 18.493 -14.795 1.00 0.00 C ATOM 134 OE1 GLN A 10 -11.408 19.324 -15.384 1.00 0.00 O ATOM 135 NE2 GLN A 10 -9.576 18.809 -14.193 1.00 0.00 N ATOM 0 H GLN A 10 -9.365 14.303 -17.054 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.492 14.257 -14.340 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.173 16.203 -14.863 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.972 16.417 -16.408 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.105 16.921 -15.214 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.271 16.753 -13.682 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.034 18.088 -13.716 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.242 19.773 -14.207 1.00 0.00 H new ATOM 144 N ILE A 11 -12.913 14.316 -14.887 1.00 0.00 N ATOM 145 CA ILE A 11 -14.328 14.179 -15.207 1.00 0.00 C ATOM 146 C ILE A 11 -15.170 15.169 -14.411 1.00 0.00 C ATOM 147 O ILE A 11 -14.681 15.808 -13.479 1.00 0.00 O ATOM 148 CB ILE A 11 -14.833 12.751 -14.927 1.00 0.00 C ATOM 149 CG1 ILE A 11 -14.738 12.437 -13.433 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.038 11.739 -15.739 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.304 11.084 -13.063 1.00 0.00 C ATOM 0 H ILE A 11 -12.698 14.251 -13.892 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.433 14.390 -16.271 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.879 12.686 -15.227 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.693 12.481 -13.126 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.267 13.209 -12.873 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.407 10.735 -15.530 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.153 11.954 -16.801 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.984 11.802 -15.468 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.203 10.929 -11.989 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.358 11.043 -13.338 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.759 10.304 -13.595 1.00 0.00 H new ATOM 163 N PHE A 12 -16.440 15.291 -14.783 1.00 0.00 N ATOM 164 CA PHE A 12 -17.352 16.203 -14.103 1.00 0.00 C ATOM 165 C PHE A 12 -18.462 15.434 -13.392 1.00 0.00 C ATOM 166 O PHE A 12 -19.113 14.573 -13.985 1.00 0.00 O ATOM 167 CB PHE A 12 -17.960 17.190 -15.102 1.00 0.00 C ATOM 168 CG PHE A 12 -16.958 18.143 -15.688 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.107 18.866 -14.867 1.00 0.00 C ATOM 170 CD2 PHE A 12 -16.866 18.317 -17.059 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.184 19.744 -15.403 1.00 0.00 C ATOM 172 CE2 PHE A 12 -15.945 19.193 -17.602 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.102 19.907 -16.772 1.00 0.00 C ATOM 0 H PHE A 12 -16.861 14.769 -15.552 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.782 16.756 -13.357 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.434 16.632 -15.909 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.745 17.760 -14.605 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.166 18.742 -13.796 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.522 17.761 -17.712 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.527 20.302 -14.752 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.884 19.319 -18.673 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.380 20.591 -17.193 1.00 0.00 H new ATOM 183 N VAL A 13 -18.671 15.750 -12.118 1.00 0.00 N ATOM 184 CA VAL A 13 -19.701 15.089 -11.326 1.00 0.00 C ATOM 185 C VAL A 13 -20.615 16.108 -10.653 1.00 0.00 C ATOM 186 O VAL A 13 -20.148 17.050 -10.013 1.00 0.00 O ATOM 187 CB VAL A 13 -19.083 14.180 -10.248 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.162 13.352 -9.565 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.016 13.282 -10.856 1.00 0.00 C ATOM 0 H VAL A 13 -18.141 16.460 -11.612 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.286 14.478 -12.014 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.610 14.809 -9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -19.707 12.716 -8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -20.887 14.016 -9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -20.666 12.730 -10.305 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -17.590 12.646 -10.080 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.463 12.659 -11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.229 13.897 -11.294 1.00 0.00 H new ATOM 199 N LYS A 14 -21.921 15.913 -10.803 1.00 0.00 N ATOM 200 CA LYS A 14 -22.902 16.813 -10.209 1.00 0.00 C ATOM 201 C LYS A 14 -23.412 16.262 -8.881 1.00 0.00 C ATOM 202 O LYS A 14 -23.659 15.063 -8.748 1.00 0.00 O ATOM 203 CB LYS A 14 -24.074 17.028 -11.168 1.00 0.00 C ATOM 204 CG LYS A 14 -23.886 18.210 -12.103 1.00 0.00 C ATOM 205 CD LYS A 14 -23.074 17.829 -13.329 1.00 0.00 C ATOM 206 CE LYS A 14 -23.426 18.701 -14.525 1.00 0.00 C ATOM 207 NZ LYS A 14 -24.840 18.513 -14.951 1.00 0.00 N ATOM 0 H LYS A 14 -22.324 15.139 -11.331 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.414 17.769 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.217 16.125 -11.762 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -24.985 17.176 -10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -24.860 18.587 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.386 19.019 -11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.011 17.926 -13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.254 16.783 -13.575 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.259 19.748 -14.273 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.762 18.463 -15.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.907 18.610 -15.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.164 17.565 -14.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.438 19.232 -14.496 1.00 0.00 H new ATOM 221 N THR A 15 -23.571 17.145 -7.900 1.00 0.00 N ATOM 222 CA THR A 15 -24.052 16.747 -6.584 1.00 0.00 C ATOM 223 C THR A 15 -25.553 16.980 -6.454 1.00 0.00 C ATOM 224 O THR A 15 -26.201 17.456 -7.387 1.00 0.00 O ATOM 225 CB THR A 15 -23.326 17.516 -5.464 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.555 18.922 -5.607 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.832 17.234 -5.495 1.00 0.00 C ATOM 0 H THR A 15 -23.373 18.141 -7.993 1.00 0.00 H new ATOM 0 HA THR A 15 -23.841 15.683 -6.479 1.00 0.00 H new ATOM 0 HB THR A 15 -23.723 17.180 -4.506 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.070 19.254 -6.391 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.341 17.788 -4.695 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.660 16.167 -5.356 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.423 17.545 -6.456 1.00 0.00 H new ATOM 235 N LEU A 16 -26.101 16.642 -5.292 1.00 0.00 N ATOM 236 CA LEU A 16 -27.527 16.815 -5.039 1.00 0.00 C ATOM 237 C LEU A 16 -27.862 18.283 -4.790 1.00 0.00 C ATOM 238 O LEU A 16 -29.020 18.692 -4.885 1.00 0.00 O ATOM 239 CB LEU A 16 -27.959 15.971 -3.838 1.00 0.00 C ATOM 240 CG LEU A 16 -27.327 16.341 -2.496 1.00 0.00 C ATOM 241 CD1 LEU A 16 -28.133 17.433 -1.809 1.00 0.00 C ATOM 242 CD2 LEU A 16 -27.217 15.114 -1.602 1.00 0.00 C ATOM 0 H LEU A 16 -25.579 16.246 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.070 16.482 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -29.042 16.043 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -27.727 14.927 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.323 16.722 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.668 17.683 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -28.160 18.319 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -29.150 17.080 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.765 15.396 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -28.211 14.703 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.596 14.363 -2.090 1.00 0.00 H new ATOM 254 N THR A 17 -26.841 19.072 -4.473 1.00 0.00 N ATOM 255 CA THR A 17 -27.026 20.494 -4.211 1.00 0.00 C ATOM 256 C THR A 17 -26.836 21.315 -5.481 1.00 0.00 C ATOM 257 O THR A 17 -26.643 22.529 -5.424 1.00 0.00 O ATOM 258 CB THR A 17 -26.046 20.999 -3.136 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.291 22.383 -2.861 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.605 20.815 -3.587 1.00 0.00 C ATOM 0 H THR A 17 -25.877 18.750 -4.391 1.00 0.00 H new ATOM 0 HA THR A 17 -28.047 20.619 -3.849 1.00 0.00 H new ATOM 0 HB THR A 17 -26.204 20.415 -2.230 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.474 22.856 -3.700 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.932 21.179 -2.811 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.413 19.757 -3.768 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.437 21.377 -4.506 1.00 0.00 H new ATOM 268 N GLY A 18 -26.894 20.645 -6.628 1.00 0.00 N ATOM 269 CA GLY A 18 -26.728 21.330 -7.897 1.00 0.00 C ATOM 270 C GLY A 18 -25.324 21.871 -8.084 1.00 0.00 C ATOM 271 O GLY A 18 -25.072 22.665 -8.990 1.00 0.00 O ATOM 0 H GLY A 18 -27.053 19.640 -6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -26.961 20.643 -8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.442 22.151 -7.959 1.00 0.00 H new ATOM 275 N LYS A 19 -24.407 21.441 -7.224 1.00 0.00 N ATOM 276 CA LYS A 19 -23.020 21.886 -7.298 1.00 0.00 C ATOM 277 C LYS A 19 -22.172 20.897 -8.091 1.00 0.00 C ATOM 278 O LYS A 19 -22.095 19.716 -7.751 1.00 0.00 O ATOM 279 CB LYS A 19 -22.442 22.056 -5.891 1.00 0.00 C ATOM 280 CG LYS A 19 -20.948 22.328 -5.876 1.00 0.00 C ATOM 281 CD LYS A 19 -20.149 21.043 -5.732 1.00 0.00 C ATOM 282 CE LYS A 19 -18.864 21.271 -4.950 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.427 20.042 -4.231 1.00 0.00 N ATOM 0 H LYS A 19 -24.599 20.785 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.000 22.847 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.957 22.877 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.644 21.154 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.660 22.835 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.708 23.001 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.755 20.291 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.910 20.649 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.076 21.593 -5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.014 22.078 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.631 20.143 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.940 19.219 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.405 19.905 -4.367 1.00 0.00 H new ATOM 297 N THR A 20 -21.536 21.387 -9.151 1.00 0.00 N ATOM 298 CA THR A 20 -20.693 20.547 -9.992 1.00 0.00 C ATOM 299 C THR A 20 -19.265 20.496 -9.463 1.00 0.00 C ATOM 300 O THR A 20 -18.587 21.520 -9.379 1.00 0.00 O ATOM 301 CB THR A 20 -20.672 21.052 -11.447 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.926 21.661 -11.773 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.391 19.910 -12.412 1.00 0.00 C ATOM 0 H THR A 20 -21.589 22.362 -9.447 1.00 0.00 H new ATOM 0 HA THR A 20 -21.121 19.545 -9.969 1.00 0.00 H new ATOM 0 HB THR A 20 -19.875 21.790 -11.540 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.903 21.981 -12.699 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.381 20.291 -13.433 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.422 19.468 -12.180 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.168 19.152 -12.315 1.00 0.00 H new ATOM 311 N ILE A 21 -18.813 19.298 -9.107 1.00 0.00 N ATOM 312 CA ILE A 21 -17.464 19.114 -8.588 1.00 0.00 C ATOM 313 C ILE A 21 -16.592 18.350 -9.579 1.00 0.00 C ATOM 314 O ILE A 21 -17.010 17.334 -10.136 1.00 0.00 O ATOM 315 CB ILE A 21 -17.476 18.360 -7.244 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.045 18.069 -6.786 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.272 17.070 -7.368 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.551 16.696 -7.186 1.00 0.00 C ATOM 0 H ILE A 21 -19.362 18.440 -9.169 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.047 20.109 -8.434 1.00 0.00 H new ATOM 0 HB ILE A 21 -17.956 18.989 -6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.378 18.823 -7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.993 18.164 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.271 16.549 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.298 17.302 -7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.818 16.434 -8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.530 16.558 -6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.195 15.935 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.571 16.604 -8.272 1.00 0.00 H new ATOM 330 N THR A 22 -15.377 18.844 -9.794 1.00 0.00 N ATOM 331 CA THR A 22 -14.446 18.208 -10.717 1.00 0.00 C ATOM 332 C THR A 22 -13.656 17.103 -10.026 1.00 0.00 C ATOM 333 O THR A 22 -13.107 17.303 -8.941 1.00 0.00 O ATOM 334 CB THR A 22 -13.461 19.231 -11.314 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.178 20.236 -12.040 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.464 18.547 -12.237 1.00 0.00 C ATOM 0 H THR A 22 -15.015 19.683 -9.341 1.00 0.00 H new ATOM 0 HA THR A 22 -15.042 17.776 -11.521 1.00 0.00 H new ATOM 0 HB THR A 22 -12.914 19.696 -10.494 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.552 19.845 -12.857 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.779 19.289 -12.647 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.899 17.803 -11.675 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.998 18.058 -13.052 1.00 0.00 H new ATOM 344 N LEU A 23 -13.601 15.937 -10.660 1.00 0.00 N ATOM 345 CA LEU A 23 -12.876 14.798 -10.106 1.00 0.00 C ATOM 346 C LEU A 23 -11.838 14.280 -11.097 1.00 0.00 C ATOM 347 O LEU A 23 -11.951 14.502 -12.301 1.00 0.00 O ATOM 348 CB LEU A 23 -13.850 13.678 -9.738 1.00 0.00 C ATOM 349 CG LEU A 23 -13.473 12.834 -8.520 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.495 13.680 -7.256 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.413 11.645 -8.384 1.00 0.00 C ATOM 0 H LEU A 23 -14.049 15.755 -11.558 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.359 15.131 -9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -14.830 14.120 -9.559 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -13.951 13.015 -10.597 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.460 12.457 -8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.224 13.062 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.781 14.498 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.495 14.087 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.130 11.055 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.436 12.002 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.347 11.025 -9.278 1.00 0.00 H new ATOM 363 N GLU A 24 -10.829 13.586 -10.579 1.00 0.00 N ATOM 364 CA GLU A 24 -9.772 13.035 -11.419 1.00 0.00 C ATOM 365 C GLU A 24 -9.697 11.518 -11.274 1.00 0.00 C ATOM 366 O GLU A 24 -9.428 10.999 -10.191 1.00 0.00 O ATOM 367 CB GLU A 24 -8.423 13.660 -11.056 1.00 0.00 C ATOM 368 CG GLU A 24 -8.223 15.052 -11.631 1.00 0.00 C ATOM 369 CD GLU A 24 -8.548 16.147 -10.633 1.00 0.00 C ATOM 370 OE1 GLU A 24 -7.636 16.556 -9.884 1.00 0.00 O ATOM 371 OE2 GLU A 24 -9.713 16.595 -10.601 1.00 0.00 O ATOM 0 H GLU A 24 -10.722 13.392 -9.583 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.007 13.273 -12.456 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.335 13.708 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.623 13.010 -11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.189 15.160 -11.960 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.852 15.171 -12.513 1.00 0.00 H new ATOM 378 N VAL A 25 -9.938 10.811 -12.374 1.00 0.00 N ATOM 379 CA VAL A 25 -9.898 9.354 -12.371 1.00 0.00 C ATOM 380 C VAL A 25 -9.359 8.816 -13.692 1.00 0.00 C ATOM 381 O VAL A 25 -9.597 9.394 -14.752 1.00 0.00 O ATOM 382 CB VAL A 25 -11.294 8.755 -12.117 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.217 9.034 -13.293 1.00 0.00 C ATOM 384 CG2 VAL A 25 -11.192 7.260 -11.853 1.00 0.00 C ATOM 0 H VAL A 25 -10.163 11.225 -13.279 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.231 9.057 -11.562 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.718 9.230 -11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.199 8.603 -13.095 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.314 10.111 -13.432 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.800 8.588 -14.196 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.188 6.853 -11.676 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.747 6.767 -12.718 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.568 7.087 -10.976 1.00 0.00 H new ATOM 394 N GLU A 26 -8.631 7.706 -13.620 1.00 0.00 N ATOM 395 CA GLU A 26 -8.057 7.090 -14.810 1.00 0.00 C ATOM 396 C GLU A 26 -9.153 6.552 -15.726 1.00 0.00 C ATOM 397 O GLU A 26 -10.255 6.219 -15.288 1.00 0.00 O ATOM 398 CB GLU A 26 -7.104 5.960 -14.418 1.00 0.00 C ATOM 399 CG GLU A 26 -6.178 6.315 -13.267 1.00 0.00 C ATOM 400 CD GLU A 26 -5.079 5.291 -13.065 1.00 0.00 C ATOM 401 OE1 GLU A 26 -4.736 4.588 -14.037 1.00 0.00 O ATOM 402 OE2 GLU A 26 -4.561 5.194 -11.932 1.00 0.00 O ATOM 0 H GLU A 26 -8.425 7.215 -12.750 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.498 7.854 -15.350 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.689 5.082 -14.145 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.503 5.686 -15.285 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.730 7.291 -13.454 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.761 6.402 -12.350 1.00 0.00 H new ATOM 409 N PRO A 27 -8.845 6.465 -17.029 1.00 0.00 N ATOM 410 CA PRO A 27 -9.790 5.968 -18.033 1.00 0.00 C ATOM 411 C PRO A 27 -10.050 4.472 -17.894 1.00 0.00 C ATOM 412 O PRO A 27 -10.981 3.936 -18.495 1.00 0.00 O ATOM 413 CB PRO A 27 -9.087 6.267 -19.360 1.00 0.00 C ATOM 414 CG PRO A 27 -7.637 6.301 -19.020 1.00 0.00 C ATOM 415 CD PRO A 27 -7.552 6.844 -17.621 1.00 0.00 C ATOM 0 HA PRO A 27 -10.769 6.437 -17.938 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.302 5.499 -20.104 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.418 7.218 -19.778 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.199 5.305 -19.079 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.087 6.933 -19.718 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.716 6.411 -17.072 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.410 7.925 -17.617 1.00 0.00 H new ATOM 423 N SER A 28 -9.222 3.803 -17.098 1.00 0.00 N ATOM 424 CA SER A 28 -9.362 2.368 -16.883 1.00 0.00 C ATOM 425 C SER A 28 -9.924 2.079 -15.494 1.00 0.00 C ATOM 426 O SER A 28 -10.360 0.963 -15.209 1.00 0.00 O ATOM 427 CB SER A 28 -8.010 1.671 -17.053 1.00 0.00 C ATOM 428 OG SER A 28 -8.161 0.262 -17.070 1.00 0.00 O ATOM 0 H SER A 28 -8.447 4.232 -16.592 1.00 0.00 H new ATOM 0 HA SER A 28 -10.059 1.981 -17.626 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.541 2.001 -17.980 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.344 1.959 -16.239 1.00 0.00 H new ATOM 0 HG SER A 28 -8.885 0.003 -16.462 1.00 0.00 H new ATOM 434 N ASP A 29 -9.911 3.092 -14.635 1.00 0.00 N ATOM 435 CA ASP A 29 -10.420 2.948 -13.276 1.00 0.00 C ATOM 436 C ASP A 29 -11.911 2.626 -13.286 1.00 0.00 C ATOM 437 O ASP A 29 -12.600 2.848 -14.282 1.00 0.00 O ATOM 438 CB ASP A 29 -10.167 4.227 -12.476 1.00 0.00 C ATOM 439 CG ASP A 29 -8.929 4.131 -11.607 1.00 0.00 C ATOM 440 OD1 ASP A 29 -8.106 3.223 -11.846 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.783 4.963 -10.687 1.00 0.00 O ATOM 0 H ASP A 29 -9.554 4.022 -14.855 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.891 2.121 -12.802 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.061 5.067 -13.163 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.033 4.436 -11.848 1.00 0.00 H new ATOM 446 N THR A 30 -12.405 2.100 -12.169 1.00 0.00 N ATOM 447 CA THR A 30 -13.813 1.745 -12.049 1.00 0.00 C ATOM 448 C THR A 30 -14.548 2.713 -11.129 1.00 0.00 C ATOM 449 O THR A 30 -13.932 3.572 -10.498 1.00 0.00 O ATOM 450 CB THR A 30 -13.987 0.311 -11.512 1.00 0.00 C ATOM 451 OG1 THR A 30 -13.492 0.227 -10.172 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.255 -0.689 -12.393 1.00 0.00 C ATOM 0 H THR A 30 -11.850 1.911 -11.334 1.00 0.00 H new ATOM 0 HA THR A 30 -14.240 1.805 -13.050 1.00 0.00 H new ATOM 0 HB THR A 30 -15.050 0.069 -11.522 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.608 -0.687 -9.837 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.392 -1.694 -11.994 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.655 -0.643 -13.406 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.192 -0.448 -12.411 1.00 0.00 H new ATOM 460 N ILE A 31 -15.867 2.568 -11.058 1.00 0.00 N ATOM 461 CA ILE A 31 -16.685 3.429 -10.213 1.00 0.00 C ATOM 462 C ILE A 31 -16.155 3.460 -8.783 1.00 0.00 C ATOM 463 O ILE A 31 -16.310 4.454 -8.075 1.00 0.00 O ATOM 464 CB ILE A 31 -18.154 2.968 -10.194 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.695 2.856 -11.621 1.00 0.00 C ATOM 466 CG2 ILE A 31 -19.001 3.931 -9.375 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.620 4.151 -12.399 1.00 0.00 C ATOM 0 H ILE A 31 -16.392 1.863 -11.575 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.633 4.431 -10.639 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.204 1.984 -9.728 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.134 2.088 -12.154 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.733 2.524 -11.583 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -20.037 3.592 -9.371 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.626 3.965 -8.352 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.947 4.927 -9.815 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.020 3.997 -13.401 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.204 4.917 -11.888 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.581 4.474 -12.469 1.00 0.00 H new ATOM 479 N GLU A 32 -15.528 2.365 -8.366 1.00 0.00 N ATOM 480 CA GLU A 32 -14.974 2.267 -7.021 1.00 0.00 C ATOM 481 C GLU A 32 -13.851 3.281 -6.821 1.00 0.00 C ATOM 482 O GLU A 32 -13.669 3.813 -5.726 1.00 0.00 O ATOM 483 CB GLU A 32 -14.451 0.853 -6.762 1.00 0.00 C ATOM 484 CG GLU A 32 -15.479 -0.234 -7.027 1.00 0.00 C ATOM 485 CD GLU A 32 -15.214 -1.495 -6.227 1.00 0.00 C ATOM 486 OE1 GLU A 32 -14.143 -2.107 -6.421 1.00 0.00 O ATOM 487 OE2 GLU A 32 -16.079 -1.869 -5.407 1.00 0.00 O ATOM 0 H GLU A 32 -15.391 1.533 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.771 2.487 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.578 0.677 -7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.118 0.782 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.472 0.144 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.481 -0.476 -8.090 1.00 0.00 H new ATOM 494 N ASN A 33 -13.100 3.542 -7.886 1.00 0.00 N ATOM 495 CA ASN A 33 -11.994 4.491 -7.827 1.00 0.00 C ATOM 496 C ASN A 33 -12.509 5.927 -7.819 1.00 0.00 C ATOM 497 O ASN A 33 -11.931 6.801 -7.173 1.00 0.00 O ATOM 498 CB ASN A 33 -11.052 4.282 -9.015 1.00 0.00 C ATOM 499 CG ASN A 33 -9.923 3.321 -8.695 1.00 0.00 C ATOM 500 OD1 ASN A 33 -10.009 2.127 -8.981 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.856 3.840 -8.099 1.00 0.00 N ATOM 0 H ASN A 33 -13.237 3.110 -8.800 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.446 4.315 -6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.620 3.901 -9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.634 5.242 -9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.064 3.243 -7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.828 4.836 -7.880 1.00 0.00 H new ATOM 508 N VAL A 34 -13.600 6.163 -8.540 1.00 0.00 N ATOM 509 CA VAL A 34 -14.194 7.492 -8.615 1.00 0.00 C ATOM 510 C VAL A 34 -14.715 7.938 -7.253 1.00 0.00 C ATOM 511 O VAL A 34 -14.414 9.039 -6.790 1.00 0.00 O ATOM 512 CB VAL A 34 -15.349 7.535 -9.633 1.00 0.00 C ATOM 513 CG1 VAL A 34 -15.986 8.915 -9.661 1.00 0.00 C ATOM 514 CG2 VAL A 34 -14.854 7.139 -11.016 1.00 0.00 C ATOM 0 H VAL A 34 -14.091 5.451 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.407 8.172 -8.941 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.109 6.817 -9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.800 8.925 -10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.378 9.155 -8.673 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.238 9.655 -9.945 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.683 7.175 -11.723 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.075 7.831 -11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.450 6.127 -10.982 1.00 0.00 H new ATOM 524 N LYS A 35 -15.500 7.077 -6.615 1.00 0.00 N ATOM 525 CA LYS A 35 -16.063 7.379 -5.305 1.00 0.00 C ATOM 526 C LYS A 35 -14.960 7.668 -4.292 1.00 0.00 C ATOM 527 O LYS A 35 -15.164 8.410 -3.332 1.00 0.00 O ATOM 528 CB LYS A 35 -16.926 6.214 -4.816 1.00 0.00 C ATOM 529 CG LYS A 35 -16.192 4.885 -4.784 1.00 0.00 C ATOM 530 CD LYS A 35 -16.848 3.909 -3.822 1.00 0.00 C ATOM 531 CE LYS A 35 -16.397 4.150 -2.389 1.00 0.00 C ATOM 532 NZ LYS A 35 -16.219 2.875 -1.641 1.00 0.00 N ATOM 0 H LYS A 35 -15.761 6.163 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.686 8.268 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.294 6.440 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.798 6.122 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.174 4.454 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.156 5.048 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.932 4.008 -3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.603 2.888 -4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.458 4.703 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.131 4.772 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.544 2.999 -0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.775 2.124 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.213 2.610 -1.641 1.00 0.00 H new ATOM 546 N ALA A 36 -13.790 7.077 -4.513 1.00 0.00 N ATOM 547 CA ALA A 36 -12.654 7.274 -3.622 1.00 0.00 C ATOM 548 C ALA A 36 -12.328 8.755 -3.467 1.00 0.00 C ATOM 549 O ALA A 36 -12.123 9.244 -2.355 1.00 0.00 O ATOM 550 CB ALA A 36 -11.440 6.515 -4.138 1.00 0.00 C ATOM 0 H ALA A 36 -13.605 6.458 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.922 6.884 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.599 6.671 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.671 5.451 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.179 6.878 -5.132 1.00 0.00 H new ATOM 556 N LYS A 37 -12.279 9.466 -4.588 1.00 0.00 N ATOM 557 CA LYS A 37 -11.978 10.893 -4.578 1.00 0.00 C ATOM 558 C LYS A 37 -13.146 11.691 -4.006 1.00 0.00 C ATOM 559 O LYS A 37 -12.951 12.749 -3.407 1.00 0.00 O ATOM 560 CB LYS A 37 -11.660 11.378 -5.994 1.00 0.00 C ATOM 561 CG LYS A 37 -10.452 10.698 -6.613 1.00 0.00 C ATOM 562 CD LYS A 37 -9.193 10.951 -5.801 1.00 0.00 C ATOM 563 CE LYS A 37 -8.861 12.434 -5.736 1.00 0.00 C ATOM 564 NZ LYS A 37 -8.714 13.030 -7.093 1.00 0.00 N ATOM 0 H LYS A 37 -12.444 9.077 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.107 11.051 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.528 11.208 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.488 12.454 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.633 9.625 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.309 11.063 -7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.325 10.562 -4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.358 10.409 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.647 12.958 -5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.937 12.575 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.278 13.971 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.111 12.417 -7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.651 13.119 -7.536 1.00 0.00 H new ATOM 578 N ILE A 38 -14.356 11.176 -4.192 1.00 0.00 N ATOM 579 CA ILE A 38 -15.553 11.840 -3.692 1.00 0.00 C ATOM 580 C ILE A 38 -15.559 11.888 -2.168 1.00 0.00 C ATOM 581 O ILE A 38 -16.104 12.815 -1.569 1.00 0.00 O ATOM 582 CB ILE A 38 -16.833 11.133 -4.176 1.00 0.00 C ATOM 583 CG1 ILE A 38 -16.882 11.111 -5.705 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.066 11.824 -3.612 1.00 0.00 C ATOM 585 CD1 ILE A 38 -16.826 12.486 -6.332 1.00 0.00 C ATOM 0 H ILE A 38 -14.534 10.301 -4.685 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.537 12.856 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.820 10.104 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.048 10.516 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.797 10.612 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.962 11.313 -3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.034 11.793 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.086 12.862 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.865 12.393 -7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -17.674 13.078 -5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -15.898 12.980 -6.043 1.00 0.00 H new ATOM 597 N GLN A 39 -14.947 10.885 -1.547 1.00 0.00 N ATOM 598 CA GLN A 39 -14.881 10.814 -0.092 1.00 0.00 C ATOM 599 C GLN A 39 -14.294 12.096 0.489 1.00 0.00 C ATOM 600 O GLN A 39 -14.698 12.544 1.563 1.00 0.00 O ATOM 601 CB GLN A 39 -14.041 9.612 0.343 1.00 0.00 C ATOM 602 CG GLN A 39 -14.779 8.287 0.246 1.00 0.00 C ATOM 603 CD GLN A 39 -14.226 7.240 1.193 1.00 0.00 C ATOM 604 OE1 GLN A 39 -13.724 7.563 2.270 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.315 5.976 0.795 1.00 0.00 N ATOM 0 H GLN A 39 -14.490 10.111 -2.028 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.896 10.696 0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.143 9.564 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.713 9.761 1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.835 8.447 0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.717 7.915 -0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.739 5.754 -0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.960 5.228 1.390 1.00 0.00 H new ATOM 614 N ASP A 40 -13.340 12.682 -0.226 1.00 0.00 N ATOM 615 CA ASP A 40 -12.698 13.913 0.219 1.00 0.00 C ATOM 616 C ASP A 40 -13.596 15.119 -0.042 1.00 0.00 C ATOM 617 O ASP A 40 -13.466 16.156 0.610 1.00 0.00 O ATOM 618 CB ASP A 40 -11.356 14.099 -0.491 1.00 0.00 C ATOM 619 CG ASP A 40 -10.473 15.120 0.199 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.307 15.024 1.433 1.00 0.00 O ATOM 621 OD2 ASP A 40 -9.946 16.014 -0.496 1.00 0.00 O ATOM 0 H ASP A 40 -12.994 12.324 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.525 13.836 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.835 13.142 -0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.533 14.412 -1.520 1.00 0.00 H new ATOM 626 N LYS A 41 -14.506 14.976 -0.999 1.00 0.00 N ATOM 627 CA LYS A 41 -15.427 16.052 -1.347 1.00 0.00 C ATOM 628 C LYS A 41 -16.590 16.113 -0.362 1.00 0.00 C ATOM 629 O LYS A 41 -16.896 17.171 0.186 1.00 0.00 O ATOM 630 CB LYS A 41 -15.958 15.857 -2.768 1.00 0.00 C ATOM 631 CG LYS A 41 -14.883 15.482 -3.773 1.00 0.00 C ATOM 632 CD LYS A 41 -13.891 16.615 -3.978 1.00 0.00 C ATOM 633 CE LYS A 41 -12.480 16.088 -4.193 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.991 16.360 -5.572 1.00 0.00 N ATOM 0 H LYS A 41 -14.626 14.125 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.881 16.994 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.721 15.079 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.444 16.776 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.355 14.593 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.347 15.227 -4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.192 17.213 -4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.906 17.275 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.806 16.549 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.461 15.014 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.226 15.696 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.773 16.240 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.632 17.335 -5.627 1.00 0.00 H new ATOM 648 N GLU A 42 -17.233 14.970 -0.142 1.00 0.00 N ATOM 649 CA GLU A 42 -18.362 14.895 0.778 1.00 0.00 C ATOM 650 C GLU A 42 -18.102 13.866 1.875 1.00 0.00 C ATOM 651 O GLU A 42 -18.513 14.047 3.021 1.00 0.00 O ATOM 652 CB GLU A 42 -19.643 14.536 0.021 1.00 0.00 C ATOM 653 CG GLU A 42 -20.152 15.652 -0.875 1.00 0.00 C ATOM 654 CD GLU A 42 -20.883 16.733 -0.103 1.00 0.00 C ATOM 655 OE1 GLU A 42 -20.406 17.109 0.988 1.00 0.00 O ATOM 656 OE2 GLU A 42 -21.933 17.203 -0.590 1.00 0.00 O ATOM 0 H GLU A 42 -16.992 14.085 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.485 15.874 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.460 13.649 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.420 14.276 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.312 16.097 -1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.820 15.233 -1.627 1.00 0.00 H new ATOM 663 N GLY A 43 -17.418 12.785 1.515 1.00 0.00 N ATOM 664 CA GLY A 43 -17.115 11.743 2.479 1.00 0.00 C ATOM 665 C GLY A 43 -18.326 10.895 2.815 1.00 0.00 C ATOM 666 O GLY A 43 -18.910 11.036 3.890 1.00 0.00 O ATOM 0 H GLY A 43 -17.068 12.612 0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.326 11.104 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.729 12.197 3.391 1.00 0.00 H new ATOM 670 N ILE A 44 -18.705 10.015 1.895 1.00 0.00 N ATOM 671 CA ILE A 44 -19.854 9.142 2.101 1.00 0.00 C ATOM 672 C ILE A 44 -19.469 7.677 1.928 1.00 0.00 C ATOM 673 O ILE A 44 -18.539 7.335 1.198 1.00 0.00 O ATOM 674 CB ILE A 44 -20.998 9.480 1.126 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.465 9.584 -0.304 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.680 10.775 1.539 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.533 9.911 -1.325 1.00 0.00 C ATOM 0 H ILE A 44 -18.233 9.887 1.000 1.00 0.00 H new ATOM 0 HA ILE A 44 -20.197 9.306 3.122 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.735 8.677 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.692 10.352 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -19.991 8.641 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.486 11.001 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -22.090 10.666 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.954 11.588 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.083 9.969 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.295 9.131 -1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -21.992 10.869 -1.078 1.00 0.00 H new ATOM 689 N PRO A 45 -20.203 6.788 2.614 1.00 0.00 N ATOM 690 CA PRO A 45 -19.959 5.344 2.551 1.00 0.00 C ATOM 691 C PRO A 45 -20.330 4.752 1.195 1.00 0.00 C ATOM 692 O PRO A 45 -20.985 5.390 0.371 1.00 0.00 O ATOM 693 CB PRO A 45 -20.868 4.782 3.647 1.00 0.00 C ATOM 694 CG PRO A 45 -21.958 5.789 3.787 1.00 0.00 C ATOM 695 CD PRO A 45 -21.327 7.124 3.503 1.00 0.00 C ATOM 0 HA PRO A 45 -18.905 5.103 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -21.264 3.805 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -20.326 4.652 4.584 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.770 5.585 3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.385 5.765 4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.029 7.806 3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.985 7.609 4.417 1.00 0.00 H new ATOM 703 N PRO A 46 -19.904 3.502 0.958 1.00 0.00 N ATOM 704 CA PRO A 46 -20.181 2.797 -0.297 1.00 0.00 C ATOM 705 C PRO A 46 -21.653 2.426 -0.441 1.00 0.00 C ATOM 706 O PRO A 46 -22.213 2.479 -1.536 1.00 0.00 O ATOM 707 CB PRO A 46 -19.320 1.535 -0.192 1.00 0.00 C ATOM 708 CG PRO A 46 -19.148 1.315 1.271 1.00 0.00 C ATOM 709 CD PRO A 46 -19.119 2.682 1.895 1.00 0.00 C ATOM 0 HA PRO A 46 -19.956 3.412 -1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -19.807 0.683 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.359 1.669 -0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.966 0.719 1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.226 0.772 1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.560 2.678 2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.100 3.055 1.999 1.00 0.00 H new ATOM 717 N ASP A 47 -22.275 2.052 0.672 1.00 0.00 N ATOM 718 CA ASP A 47 -23.684 1.674 0.670 1.00 0.00 C ATOM 719 C ASP A 47 -24.561 2.848 0.247 1.00 0.00 C ATOM 720 O ASP A 47 -25.571 2.666 -0.432 1.00 0.00 O ATOM 721 CB ASP A 47 -24.103 1.181 2.056 1.00 0.00 C ATOM 722 CG ASP A 47 -23.204 0.076 2.574 1.00 0.00 C ATOM 723 OD1 ASP A 47 -22.065 0.381 2.985 1.00 0.00 O ATOM 724 OD2 ASP A 47 -23.640 -1.095 2.569 1.00 0.00 O ATOM 0 H ASP A 47 -21.826 2.002 1.587 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.818 0.867 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -24.087 2.017 2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -25.131 0.820 2.015 1.00 0.00 H new ATOM 729 N GLN A 48 -24.168 4.050 0.655 1.00 0.00 N ATOM 730 CA GLN A 48 -24.921 5.254 0.319 1.00 0.00 C ATOM 731 C GLN A 48 -24.418 5.864 -0.985 1.00 0.00 C ATOM 732 O GLN A 48 -25.152 6.572 -1.673 1.00 0.00 O ATOM 733 CB GLN A 48 -24.815 6.278 1.450 1.00 0.00 C ATOM 734 CG GLN A 48 -25.422 5.803 2.760 1.00 0.00 C ATOM 735 CD GLN A 48 -24.955 6.619 3.950 1.00 0.00 C ATOM 736 OE1 GLN A 48 -24.376 7.694 3.791 1.00 0.00 O ATOM 737 NE2 GLN A 48 -25.203 6.110 5.151 1.00 0.00 N ATOM 0 H GLN A 48 -23.334 4.217 1.218 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.966 4.975 0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.765 6.520 1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.310 7.199 1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.509 5.855 2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.162 4.756 2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.686 5.216 5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.911 6.613 5.989 1.00 0.00 H new ATOM 746 N GLN A 49 -23.161 5.585 -1.317 1.00 0.00 N ATOM 747 CA GLN A 49 -22.561 6.108 -2.538 1.00 0.00 C ATOM 748 C GLN A 49 -23.069 5.352 -3.762 1.00 0.00 C ATOM 749 O GLN A 49 -22.869 4.144 -3.884 1.00 0.00 O ATOM 750 CB GLN A 49 -21.036 6.013 -2.463 1.00 0.00 C ATOM 751 CG GLN A 49 -20.333 6.502 -3.719 1.00 0.00 C ATOM 752 CD GLN A 49 -19.415 7.679 -3.454 1.00 0.00 C ATOM 753 OE1 GLN A 49 -18.830 7.794 -2.377 1.00 0.00 O ATOM 754 NE2 GLN A 49 -19.283 8.561 -4.439 1.00 0.00 N ATOM 0 H GLN A 49 -22.540 5.000 -0.758 1.00 0.00 H new ATOM 0 HA GLN A 49 -22.849 7.155 -2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -20.686 6.595 -1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.754 4.976 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.754 5.684 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -21.079 6.788 -4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.787 8.426 -5.315 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.678 9.373 -4.319 1.00 0.00 H new ATOM 763 N ARG A 50 -23.727 6.072 -4.665 1.00 0.00 N ATOM 764 CA ARG A 50 -24.265 5.469 -5.878 1.00 0.00 C ATOM 765 C ARG A 50 -24.243 6.463 -7.035 1.00 0.00 C ATOM 766 O ARG A 50 -24.821 7.547 -6.948 1.00 0.00 O ATOM 767 CB ARG A 50 -25.695 4.980 -5.639 1.00 0.00 C ATOM 768 CG ARG A 50 -25.770 3.655 -4.897 1.00 0.00 C ATOM 769 CD ARG A 50 -26.768 2.709 -5.546 1.00 0.00 C ATOM 770 NE ARG A 50 -27.974 2.548 -4.738 1.00 0.00 N ATOM 771 CZ ARG A 50 -28.995 3.397 -4.765 1.00 0.00 C ATOM 772 NH1 ARG A 50 -28.957 4.461 -5.555 1.00 0.00 N ATOM 773 NH2 ARG A 50 -30.058 3.182 -4.000 1.00 0.00 N ATOM 0 H ARG A 50 -23.900 7.074 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.636 4.618 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.238 5.736 -5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.200 4.878 -6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -24.784 3.190 -4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -26.057 3.833 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -27.040 3.088 -6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -26.300 1.736 -5.697 1.00 0.00 H new ATOM 0 HE ARG A 50 -28.035 1.739 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -28.142 4.630 -6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -29.743 5.111 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -30.091 2.364 -3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -30.842 3.834 -4.021 1.00 0.00 H new ATOM 787 N LEU A 51 -23.573 6.087 -8.119 1.00 0.00 N ATOM 788 CA LEU A 51 -23.475 6.945 -9.294 1.00 0.00 C ATOM 789 C LEU A 51 -24.560 6.604 -10.310 1.00 0.00 C ATOM 790 O LEU A 51 -24.882 5.434 -10.519 1.00 0.00 O ATOM 791 CB LEU A 51 -22.095 6.804 -9.939 1.00 0.00 C ATOM 792 CG LEU A 51 -21.069 7.876 -9.570 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.957 8.011 -8.059 1.00 0.00 C ATOM 794 CD2 LEU A 51 -19.713 7.549 -10.179 1.00 0.00 C ATOM 0 H LEU A 51 -23.090 5.193 -8.208 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.616 7.977 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.687 5.830 -9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -22.220 6.807 -11.022 1.00 0.00 H new ATOM 0 HG LEU A 51 -21.407 8.829 -9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.222 8.778 -7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -21.926 8.292 -7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.643 7.059 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -18.995 8.323 -9.906 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -19.368 6.586 -9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -19.803 7.504 -11.264 1.00 0.00 H new ATOM 806 N ILE A 52 -25.119 7.633 -10.938 1.00 0.00 N ATOM 807 CA ILE A 52 -26.166 7.441 -11.935 1.00 0.00 C ATOM 808 C ILE A 52 -25.743 7.997 -13.290 1.00 0.00 C ATOM 809 O ILE A 52 -25.401 9.173 -13.412 1.00 0.00 O ATOM 810 CB ILE A 52 -27.482 8.115 -11.505 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.763 7.838 -10.026 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.634 7.626 -12.369 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.816 6.365 -9.687 1.00 0.00 C ATOM 0 H ILE A 52 -24.865 8.607 -10.775 1.00 0.00 H new ATOM 0 HA ILE A 52 -26.328 6.366 -12.020 1.00 0.00 H new ATOM 0 HB ILE A 52 -27.383 9.192 -11.641 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.990 8.314 -9.422 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.711 8.300 -9.752 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -29.557 8.111 -12.053 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -28.435 7.869 -13.413 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.737 6.546 -12.262 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.019 6.244 -8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.608 5.887 -10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.860 5.901 -9.929 1.00 0.00 H new ATOM 825 N PHE A 53 -25.769 7.143 -14.308 1.00 0.00 N ATOM 826 CA PHE A 53 -25.389 7.548 -15.656 1.00 0.00 C ATOM 827 C PHE A 53 -26.483 7.194 -16.659 1.00 0.00 C ATOM 828 O PHE A 53 -26.885 6.036 -16.773 1.00 0.00 O ATOM 829 CB PHE A 53 -24.074 6.878 -16.061 1.00 0.00 C ATOM 830 CG PHE A 53 -23.429 7.503 -17.265 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.887 8.776 -17.194 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.364 6.817 -18.467 1.00 0.00 C ATOM 833 CE1 PHE A 53 -22.294 9.354 -18.301 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.771 7.390 -19.577 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.235 8.660 -19.493 1.00 0.00 C ATOM 0 H PHE A 53 -26.049 6.166 -14.225 1.00 0.00 H new ATOM 0 HA PHE A 53 -25.254 8.630 -15.659 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.379 6.923 -15.222 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.260 5.824 -16.265 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.928 9.323 -16.264 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -23.781 5.823 -18.538 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.877 10.348 -18.233 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -22.727 6.845 -20.508 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.771 9.109 -20.358 1.00 0.00 H new ATOM 845 N ALA A 54 -26.961 8.200 -17.384 1.00 0.00 N ATOM 846 CA ALA A 54 -28.007 7.996 -18.378 1.00 0.00 C ATOM 847 C ALA A 54 -29.204 7.269 -17.774 1.00 0.00 C ATOM 848 O ALA A 54 -29.721 6.315 -18.354 1.00 0.00 O ATOM 849 CB ALA A 54 -27.461 7.220 -19.567 1.00 0.00 C ATOM 0 H ALA A 54 -26.640 9.165 -17.301 1.00 0.00 H new ATOM 0 HA ALA A 54 -28.344 8.974 -18.721 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.253 7.075 -20.302 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.643 7.779 -20.021 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -27.095 6.250 -19.231 1.00 0.00 H new ATOM 855 N GLY A 55 -29.641 7.727 -16.605 1.00 0.00 N ATOM 856 CA GLY A 55 -30.773 7.108 -15.941 1.00 0.00 C ATOM 857 C GLY A 55 -30.509 5.662 -15.571 1.00 0.00 C ATOM 858 O GLY A 55 -31.440 4.897 -15.317 1.00 0.00 O ATOM 0 H GLY A 55 -29.231 8.516 -16.106 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -31.015 7.672 -15.040 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.645 7.160 -16.593 1.00 0.00 H new ATOM 862 N LYS A 56 -29.235 5.284 -15.542 1.00 0.00 N ATOM 863 CA LYS A 56 -28.849 3.920 -15.201 1.00 0.00 C ATOM 864 C LYS A 56 -27.801 3.912 -14.093 1.00 0.00 C ATOM 865 O LYS A 56 -26.756 4.550 -14.211 1.00 0.00 O ATOM 866 CB LYS A 56 -28.306 3.197 -16.436 1.00 0.00 C ATOM 867 CG LYS A 56 -28.417 1.685 -16.354 1.00 0.00 C ATOM 868 CD LYS A 56 -27.567 1.005 -17.415 1.00 0.00 C ATOM 869 CE LYS A 56 -28.330 0.843 -18.720 1.00 0.00 C ATOM 870 NZ LYS A 56 -27.421 0.541 -19.860 1.00 0.00 N ATOM 0 H LYS A 56 -28.452 5.904 -15.751 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.736 3.397 -14.842 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.846 3.545 -17.317 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.260 3.469 -16.575 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -28.104 1.349 -15.365 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -29.459 1.389 -16.476 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -26.665 1.591 -17.590 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -27.248 0.027 -17.055 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -29.061 0.041 -18.616 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -28.886 1.756 -18.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -27.979 0.438 -20.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -26.739 1.318 -19.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -26.909 -0.344 -19.670 1.00 0.00 H new ATOM 884 N GLN A 57 -28.089 3.184 -13.018 1.00 0.00 N ATOM 885 CA GLN A 57 -27.170 3.094 -11.890 1.00 0.00 C ATOM 886 C GLN A 57 -25.846 2.467 -12.315 1.00 0.00 C ATOM 887 O GLN A 57 -25.820 1.513 -13.094 1.00 0.00 O ATOM 888 CB GLN A 57 -27.796 2.275 -10.759 1.00 0.00 C ATOM 889 CG GLN A 57 -28.379 0.948 -11.220 1.00 0.00 C ATOM 890 CD GLN A 57 -29.894 0.929 -11.172 1.00 0.00 C ATOM 891 OE1 GLN A 57 -30.505 1.514 -10.277 1.00 0.00 O ATOM 892 NE2 GLN A 57 -30.508 0.254 -12.136 1.00 0.00 N ATOM 0 H GLN A 57 -28.950 2.649 -12.905 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.974 4.105 -11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.040 2.085 -9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.583 2.864 -10.287 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.049 0.745 -12.239 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -27.989 0.146 -10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -29.961 -0.216 -12.858 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -31.527 0.205 -12.155 1.00 0.00 H new ATOM 901 N LEU A 58 -24.748 3.009 -11.799 1.00 0.00 N ATOM 902 CA LEU A 58 -23.419 2.503 -12.125 1.00 0.00 C ATOM 903 C LEU A 58 -22.922 1.544 -11.048 1.00 0.00 C ATOM 904 O LEU A 58 -23.276 1.674 -9.877 1.00 0.00 O ATOM 905 CB LEU A 58 -22.435 3.663 -12.285 1.00 0.00 C ATOM 906 CG LEU A 58 -22.846 4.762 -13.265 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.762 5.824 -13.362 1.00 0.00 C ATOM 908 CD2 LEU A 58 -23.140 4.170 -14.636 1.00 0.00 C ATOM 0 H LEU A 58 -24.752 3.799 -11.153 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.486 1.959 -13.067 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.277 4.117 -11.307 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.476 3.258 -12.607 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.755 5.234 -12.892 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.072 6.598 -14.064 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.600 6.269 -12.380 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.836 5.368 -13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -23.431 4.966 -15.321 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.248 3.672 -15.016 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.952 3.447 -14.554 1.00 0.00 H new ATOM 920 N GLU A 59 -22.098 0.582 -11.454 1.00 0.00 N ATOM 921 CA GLU A 59 -21.552 -0.398 -10.523 1.00 0.00 C ATOM 922 C GLU A 59 -20.079 -0.666 -10.818 1.00 0.00 C ATOM 923 O GLU A 59 -19.521 -0.138 -11.780 1.00 0.00 O ATOM 924 CB GLU A 59 -22.345 -1.704 -10.598 1.00 0.00 C ATOM 925 CG GLU A 59 -22.264 -2.388 -11.953 1.00 0.00 C ATOM 926 CD GLU A 59 -22.599 -3.865 -11.882 1.00 0.00 C ATOM 927 OE1 GLU A 59 -23.114 -4.307 -10.834 1.00 0.00 O ATOM 928 OE2 GLU A 59 -22.347 -4.578 -12.875 1.00 0.00 O ATOM 0 H GLU A 59 -21.795 0.461 -12.420 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.635 0.010 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.977 -2.387 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.390 -1.499 -10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.948 -1.897 -12.645 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.259 -2.266 -12.358 1.00 0.00 H new ATOM 935 N ASP A 60 -19.455 -1.490 -9.983 1.00 0.00 N ATOM 936 CA ASP A 60 -18.047 -1.830 -10.154 1.00 0.00 C ATOM 937 C ASP A 60 -17.862 -2.814 -11.305 1.00 0.00 C ATOM 938 O ASP A 60 -18.800 -3.101 -12.047 1.00 0.00 O ATOM 939 CB ASP A 60 -17.484 -2.425 -8.862 1.00 0.00 C ATOM 940 CG ASP A 60 -17.886 -3.874 -8.669 1.00 0.00 C ATOM 941 OD1 ASP A 60 -19.100 -4.163 -8.702 1.00 0.00 O ATOM 942 OD2 ASP A 60 -16.985 -4.719 -8.486 1.00 0.00 O ATOM 0 H ASP A 60 -19.902 -1.935 -9.181 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.503 -0.915 -10.391 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.397 -2.351 -8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.833 -1.838 -8.013 1.00 0.00 H new ATOM 947 N GLY A 61 -16.643 -3.327 -11.447 1.00 0.00 N ATOM 948 CA GLY A 61 -16.356 -4.272 -12.511 1.00 0.00 C ATOM 949 C GLY A 61 -15.949 -3.588 -13.800 1.00 0.00 C ATOM 950 O GLY A 61 -14.931 -3.934 -14.400 1.00 0.00 O ATOM 0 H GLY A 61 -15.850 -3.105 -10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.558 -4.943 -12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.237 -4.888 -12.693 1.00 0.00 H new ATOM 954 N ARG A 62 -16.745 -2.614 -14.229 1.00 0.00 N ATOM 955 CA ARG A 62 -16.463 -1.881 -15.457 1.00 0.00 C ATOM 956 C ARG A 62 -15.713 -0.587 -15.158 1.00 0.00 C ATOM 957 O ARG A 62 -15.610 -0.168 -14.004 1.00 0.00 O ATOM 958 CB ARG A 62 -17.763 -1.569 -16.200 1.00 0.00 C ATOM 959 CG ARG A 62 -18.215 -2.683 -17.132 1.00 0.00 C ATOM 960 CD ARG A 62 -18.508 -3.964 -16.367 1.00 0.00 C ATOM 961 NE ARG A 62 -19.139 -4.974 -17.212 1.00 0.00 N ATOM 962 CZ ARG A 62 -20.385 -4.880 -17.663 1.00 0.00 C ATOM 963 NH1 ARG A 62 -21.129 -3.828 -17.351 1.00 0.00 N ATOM 964 NH2 ARG A 62 -20.889 -5.840 -18.428 1.00 0.00 N ATOM 0 H ARG A 62 -17.591 -2.314 -13.744 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.833 -2.508 -16.088 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.550 -1.375 -15.472 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.631 -0.654 -16.778 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -19.108 -2.368 -17.672 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.442 -2.872 -17.877 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.580 -4.362 -15.958 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.159 -3.741 -15.522 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.593 -5.796 -17.470 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -20.745 -3.088 -16.763 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -22.085 -3.759 -17.699 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.320 -6.651 -18.670 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -21.846 -5.767 -18.774 1.00 0.00 H new ATOM 978 N THR A 63 -15.189 0.044 -16.205 1.00 0.00 N ATOM 979 CA THR A 63 -14.447 1.289 -16.054 1.00 0.00 C ATOM 980 C THR A 63 -15.234 2.469 -16.613 1.00 0.00 C ATOM 981 O THR A 63 -16.134 2.295 -17.435 1.00 0.00 O ATOM 982 CB THR A 63 -13.080 1.217 -16.762 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.507 2.526 -16.853 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.222 0.622 -18.154 1.00 0.00 C ATOM 0 H THR A 63 -15.265 -0.287 -17.167 1.00 0.00 H new ATOM 0 HA THR A 63 -14.288 1.435 -14.986 1.00 0.00 H new ATOM 0 HB THR A 63 -12.425 0.574 -16.175 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.424 2.910 -15.955 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.244 0.581 -18.634 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.631 -0.385 -18.079 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.892 1.243 -18.748 1.00 0.00 H new ATOM 992 N LEU A 64 -14.889 3.670 -16.162 1.00 0.00 N ATOM 993 CA LEU A 64 -15.564 4.881 -16.617 1.00 0.00 C ATOM 994 C LEU A 64 -15.572 4.959 -18.141 1.00 0.00 C ATOM 995 O LEU A 64 -16.543 5.417 -18.743 1.00 0.00 O ATOM 996 CB LEU A 64 -14.879 6.119 -16.035 1.00 0.00 C ATOM 997 CG LEU A 64 -14.757 6.164 -14.512 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.880 5.371 -13.862 1.00 0.00 C ATOM 999 CD2 LEU A 64 -13.401 5.633 -14.070 1.00 0.00 C ATOM 0 H LEU A 64 -14.146 3.831 -15.482 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.596 4.846 -16.268 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.879 6.191 -16.462 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.429 7.001 -16.362 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.841 7.202 -14.191 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.776 5.415 -12.778 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.841 5.796 -14.152 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.829 4.333 -14.190 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.332 5.672 -12.983 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.288 4.602 -14.404 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.611 6.244 -14.506 1.00 0.00 H new ATOM 1011 N SER A 65 -14.485 4.507 -18.757 1.00 0.00 N ATOM 1012 CA SER A 65 -14.366 4.528 -20.211 1.00 0.00 C ATOM 1013 C SER A 65 -15.366 3.570 -20.851 1.00 0.00 C ATOM 1014 O SER A 65 -15.904 3.843 -21.923 1.00 0.00 O ATOM 1015 CB SER A 65 -12.943 4.155 -20.632 1.00 0.00 C ATOM 1016 OG SER A 65 -12.870 3.923 -22.028 1.00 0.00 O ATOM 0 H SER A 65 -13.674 4.122 -18.273 1.00 0.00 H new ATOM 0 HA SER A 65 -14.586 5.539 -20.555 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.257 4.956 -20.357 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.623 3.262 -20.094 1.00 0.00 H new ATOM 0 HG SER A 65 -11.951 3.688 -22.273 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.608 2.445 -20.185 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.542 1.445 -20.689 1.00 0.00 C ATOM 1024 C GLU A 66 -17.985 1.907 -20.504 1.00 0.00 C ATOM 1025 O GLU A 66 -18.896 1.415 -21.170 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.327 0.109 -19.976 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.143 -0.681 -20.508 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.475 -1.448 -21.773 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.675 -1.682 -22.027 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -14.535 -1.814 -22.509 1.00 0.00 O ATOM 0 H GLU A 66 -15.170 2.204 -19.296 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.354 1.314 -21.755 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.181 0.294 -18.912 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.229 -0.495 -20.074 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.316 0.001 -20.707 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.803 -1.379 -19.743 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.185 2.854 -19.594 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.516 3.380 -19.319 1.00 0.00 C ATOM 1039 C TYR A 67 -19.815 4.593 -20.195 1.00 0.00 C ATOM 1040 O TYR A 67 -20.773 5.326 -19.953 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.642 3.760 -17.842 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.976 2.592 -16.942 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.136 1.851 -17.135 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.134 2.230 -15.899 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.446 0.784 -16.315 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.435 1.163 -15.075 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.592 0.443 -15.287 1.00 0.00 C ATOM 1048 OH TYR A 67 -20.897 -0.619 -14.467 1.00 0.00 O ATOM 0 H TYR A 67 -17.442 3.273 -19.035 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.242 2.600 -19.550 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.705 4.208 -17.510 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.414 4.522 -17.736 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.806 2.114 -17.940 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.228 2.793 -15.729 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.352 0.220 -16.478 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.768 0.894 -14.269 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.472 -0.490 -13.593 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.987 4.796 -21.215 1.00 0.00 N ATOM 1059 CA ASN A 68 -19.161 5.919 -22.129 1.00 0.00 C ATOM 1060 C ASN A 68 -18.957 7.246 -21.404 1.00 0.00 C ATOM 1061 O ASN A 68 -19.491 8.277 -21.814 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.555 5.879 -22.759 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.603 6.587 -24.100 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -19.598 6.673 -24.805 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -21.776 7.097 -24.457 1.00 0.00 N ATOM 0 H ASN A 68 -18.189 4.198 -21.429 1.00 0.00 H new ATOM 0 HA ASN A 68 -18.411 5.835 -22.916 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.863 4.841 -22.888 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -21.271 6.342 -22.080 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -21.870 7.584 -25.348 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -22.583 7.002 -23.840 1.00 0.00 H new ATOM 1072 N ILE A 69 -18.180 7.212 -20.327 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.904 8.412 -19.547 1.00 0.00 C ATOM 1074 C ILE A 69 -16.595 9.062 -19.982 1.00 0.00 C ATOM 1075 O ILE A 69 -15.514 8.535 -19.723 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.833 8.100 -18.040 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -19.071 7.315 -17.601 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.703 9.387 -17.239 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -19.011 6.847 -16.164 1.00 0.00 C ATOM 0 H ILE A 69 -17.731 6.367 -19.975 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.728 9.102 -19.729 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.952 7.487 -17.851 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.954 7.940 -17.735 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.192 6.449 -18.252 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.654 9.151 -16.176 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.794 9.911 -17.537 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.567 10.023 -17.430 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.921 6.298 -15.922 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.147 6.196 -16.029 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.921 7.710 -15.504 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.702 10.209 -20.644 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.526 10.931 -21.114 1.00 0.00 C ATOM 1093 C GLN A 70 -15.017 11.896 -20.049 1.00 0.00 C ATOM 1094 O GLN A 70 -15.464 11.864 -18.902 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.851 11.696 -22.399 1.00 0.00 C ATOM 1096 CG GLN A 70 -16.528 10.844 -23.459 1.00 0.00 C ATOM 1097 CD GLN A 70 -15.860 9.496 -23.640 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -16.416 8.460 -23.273 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -14.659 9.501 -24.207 1.00 0.00 N ATOM 0 H GLN A 70 -17.590 10.658 -20.867 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.743 10.202 -21.321 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.497 12.540 -22.156 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.929 12.108 -22.810 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.572 10.694 -23.186 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.521 11.379 -24.409 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.235 10.383 -24.496 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.160 8.623 -24.353 1.00 0.00 H new ATOM 1108 N LYS A 71 -14.078 12.754 -20.434 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.508 13.730 -19.512 1.00 0.00 C ATOM 1110 C LYS A 71 -14.501 14.851 -19.224 1.00 0.00 C ATOM 1111 O LYS A 71 -14.374 15.563 -18.229 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.217 14.314 -20.091 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.420 15.067 -21.394 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.916 14.268 -22.584 1.00 0.00 C ATOM 1115 CE LYS A 71 -11.396 15.178 -23.686 1.00 0.00 C ATOM 1116 NZ LYS A 71 -10.664 14.416 -24.735 1.00 0.00 N ATOM 0 H LYS A 71 -13.695 12.793 -21.379 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.282 13.220 -18.576 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.772 14.987 -19.358 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.504 13.506 -20.256 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.479 15.289 -21.526 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.897 16.022 -21.348 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.122 13.595 -22.262 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.722 13.646 -22.974 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.231 15.711 -24.141 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.735 15.929 -23.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.326 15.072 -25.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.852 13.927 -24.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.302 13.716 -25.165 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.490 15.000 -20.100 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.505 16.034 -19.937 1.00 0.00 C ATOM 1132 C GLU A 72 -17.883 15.415 -19.722 1.00 0.00 C ATOM 1133 O GLU A 72 -18.906 16.039 -20.002 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.531 16.951 -21.162 1.00 0.00 C ATOM 1135 CG GLU A 72 -15.360 17.917 -21.225 1.00 0.00 C ATOM 1136 CD GLU A 72 -15.028 18.340 -22.643 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -14.630 17.468 -23.443 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -15.166 19.542 -22.951 1.00 0.00 O ATOM 0 H GLU A 72 -15.610 14.418 -20.929 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.249 16.623 -19.056 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.535 16.339 -22.064 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.461 17.520 -21.160 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.591 18.801 -20.631 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.484 17.450 -20.775 1.00 0.00 H new ATOM 1145 N SER A 73 -17.900 14.184 -19.222 1.00 0.00 N ATOM 1146 CA SER A 73 -19.152 13.478 -18.973 1.00 0.00 C ATOM 1147 C SER A 73 -19.914 14.115 -17.815 1.00 0.00 C ATOM 1148 O SER A 73 -19.499 15.139 -17.271 1.00 0.00 O ATOM 1149 CB SER A 73 -18.878 12.004 -18.668 1.00 0.00 C ATOM 1150 OG SER A 73 -19.922 11.179 -19.157 1.00 0.00 O ATOM 0 H SER A 73 -17.062 13.655 -18.981 1.00 0.00 H new ATOM 0 HA SER A 73 -19.765 13.549 -19.871 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.932 11.706 -19.120 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.774 11.865 -17.592 1.00 0.00 H new ATOM 0 HG SER A 73 -19.803 11.036 -20.119 1.00 0.00 H new ATOM 1156 N THR A 74 -21.032 13.501 -17.441 1.00 0.00 N ATOM 1157 CA THR A 74 -21.854 14.008 -16.349 1.00 0.00 C ATOM 1158 C THR A 74 -22.248 12.888 -15.393 1.00 0.00 C ATOM 1159 O THR A 74 -22.996 11.980 -15.759 1.00 0.00 O ATOM 1160 CB THR A 74 -23.130 14.690 -16.877 1.00 0.00 C ATOM 1161 OG1 THR A 74 -22.925 15.143 -18.219 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.520 15.866 -15.993 1.00 0.00 C ATOM 0 H THR A 74 -21.389 12.652 -17.878 1.00 0.00 H new ATOM 0 HA THR A 74 -21.253 14.743 -15.815 1.00 0.00 H new ATOM 0 HB THR A 74 -23.939 13.959 -16.861 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.742 15.574 -18.547 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.424 16.332 -16.385 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.705 15.513 -14.978 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.711 16.596 -15.981 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.742 12.958 -14.167 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.042 11.950 -13.156 1.00 0.00 C ATOM 1172 C LEU A 75 -23.049 12.480 -12.140 1.00 0.00 C ATOM 1173 O LEU A 75 -23.141 13.687 -11.913 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.760 11.517 -12.443 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.117 10.224 -12.945 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.089 9.061 -12.820 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -19.655 10.383 -14.386 1.00 0.00 C ATOM 0 H LEU A 75 -21.122 13.703 -13.849 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.480 11.087 -13.658 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.029 12.321 -12.532 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.980 11.402 -11.382 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.245 10.010 -12.326 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.614 8.149 -13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.371 8.933 -11.775 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -21.980 9.266 -13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.200 9.453 -14.727 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.510 10.621 -15.018 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -18.923 11.189 -14.447 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.801 11.570 -11.530 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.800 11.946 -10.535 1.00 0.00 C ATOM 1191 C HIS A 76 -24.679 11.075 -9.288 1.00 0.00 C ATOM 1192 O HIS A 76 -24.848 9.857 -9.350 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.206 11.824 -11.122 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.528 12.884 -12.130 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -27.491 13.850 -11.925 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -26.008 13.128 -13.356 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.550 14.641 -12.982 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -26.659 14.224 -13.864 1.00 0.00 N ATOM 0 H HIS A 76 -23.738 10.567 -11.707 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.622 12.983 -10.251 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.312 10.845 -11.590 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.934 11.871 -10.312 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -25.226 12.565 -13.844 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -28.213 15.484 -13.104 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -26.483 14.648 -14.775 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.385 11.707 -8.157 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.240 10.990 -6.895 1.00 0.00 C ATOM 1208 C LEU A 77 -25.534 11.041 -6.089 1.00 0.00 C ATOM 1209 O LEU A 77 -25.967 12.109 -5.657 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.092 11.583 -6.077 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.122 13.099 -5.881 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -23.204 13.444 -4.402 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -21.896 13.743 -6.513 1.00 0.00 C ATOM 0 H LEU A 77 -24.242 12.715 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.015 9.948 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.089 11.110 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.152 11.318 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.010 13.493 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -23.224 14.527 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -24.112 13.015 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -22.335 13.038 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -21.934 14.822 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -20.995 13.344 -6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -21.880 13.525 -7.581 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.147 9.878 -5.888 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.389 9.790 -5.130 1.00 0.00 C ATOM 1227 C VAL A 78 -27.190 9.008 -3.837 1.00 0.00 C ATOM 1228 O VAL A 78 -26.586 7.934 -3.834 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.503 9.119 -5.956 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.043 10.080 -7.005 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -27.991 7.842 -6.604 1.00 0.00 C ATOM 0 H VAL A 78 -25.803 8.984 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.687 10.811 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.320 8.855 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.829 9.588 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.451 10.963 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.237 10.378 -7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.791 7.382 -7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.156 8.078 -7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.658 7.150 -5.831 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.701 9.553 -2.738 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.580 8.906 -1.436 1.00 0.00 C ATOM 1243 C LEU A 79 -28.864 8.166 -1.074 1.00 0.00 C ATOM 1244 O LEU A 79 -29.965 8.668 -1.299 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.253 9.941 -0.359 1.00 0.00 C ATOM 1246 CG LEU A 79 -25.921 10.675 -0.515 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -25.739 11.693 0.600 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -24.766 9.686 -0.530 1.00 0.00 C ATOM 0 H LEU A 79 -28.203 10.441 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.768 8.181 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -28.053 10.681 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -27.258 9.442 0.610 1.00 0.00 H new ATOM 0 HG LEU A 79 -25.930 11.207 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -24.786 12.206 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -26.550 12.421 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -25.751 11.183 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -23.826 10.226 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -24.754 9.126 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -24.889 8.995 -1.364 1.00 0.00 H new ATOM 1260 N ARG A 80 -28.713 6.972 -0.511 1.00 0.00 N ATOM 1261 CA ARG A 80 -29.861 6.163 -0.117 1.00 0.00 C ATOM 1262 C ARG A 80 -30.182 6.360 1.362 1.00 0.00 C ATOM 1263 O ARG A 80 -31.340 6.550 1.737 1.00 0.00 O ATOM 1264 CB ARG A 80 -29.590 4.684 -0.398 1.00 0.00 C ATOM 1265 CG ARG A 80 -30.775 3.780 -0.098 1.00 0.00 C ATOM 1266 CD ARG A 80 -30.599 2.405 -0.723 1.00 0.00 C ATOM 1267 NE ARG A 80 -30.221 1.399 0.266 1.00 0.00 N ATOM 1268 CZ ARG A 80 -30.072 0.110 -0.018 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -30.266 -0.327 -1.254 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -29.726 -0.745 0.937 1.00 0.00 N ATOM 0 H ARG A 80 -27.808 6.543 -0.317 1.00 0.00 H new ATOM 0 HA ARG A 80 -30.721 6.486 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -29.311 4.567 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -28.737 4.360 0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -30.892 3.678 0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -31.689 4.239 -0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -31.528 2.106 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -29.836 2.455 -1.500 1.00 0.00 H new ATOM 0 HE ARG A 80 -30.063 1.703 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -30.531 0.327 -1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -30.151 -1.317 -1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -29.575 -0.412 1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -29.612 -1.735 0.719 1.00 0.00 H new ATOM 1284 N LEU A 81 -29.151 6.313 2.198 1.00 0.00 N ATOM 1285 CA LEU A 81 -29.323 6.486 3.636 1.00 0.00 C ATOM 1286 C LEU A 81 -28.644 7.765 4.116 1.00 0.00 C ATOM 1287 O LEU A 81 -28.021 8.481 3.331 1.00 0.00 O ATOM 1288 CB LEU A 81 -28.753 5.281 4.386 1.00 0.00 C ATOM 1289 CG LEU A 81 -29.759 4.196 4.776 1.00 0.00 C ATOM 1290 CD1 LEU A 81 -30.770 4.740 5.773 1.00 0.00 C ATOM 1291 CD2 LEU A 81 -30.463 3.654 3.541 1.00 0.00 C ATOM 0 H LEU A 81 -28.187 6.156 1.905 1.00 0.00 H new ATOM 0 HA LEU A 81 -30.390 6.564 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -27.980 4.826 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -28.266 5.640 5.293 1.00 0.00 H new ATOM 0 HG LEU A 81 -29.217 3.377 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -31.478 3.955 6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -30.251 5.079 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -31.308 5.577 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -31.175 2.883 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -30.993 4.464 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -29.727 3.226 2.861 1.00 0.00 H new ATOM 1303 N ARG A 82 -28.767 8.045 5.409 1.00 0.00 N ATOM 1304 CA ARG A 82 -28.165 9.237 5.993 1.00 0.00 C ATOM 1305 C ARG A 82 -26.678 9.020 6.260 1.00 0.00 C ATOM 1306 O ARG A 82 -26.287 8.035 6.886 1.00 0.00 O ATOM 1307 CB ARG A 82 -28.879 9.610 7.294 1.00 0.00 C ATOM 1308 CG ARG A 82 -28.561 11.014 7.782 1.00 0.00 C ATOM 1309 CD ARG A 82 -29.264 12.068 6.941 1.00 0.00 C ATOM 1310 NE ARG A 82 -30.714 11.897 6.949 1.00 0.00 N ATOM 1311 CZ ARG A 82 -31.481 12.173 7.999 1.00 0.00 C ATOM 1312 NH1 ARG A 82 -30.938 12.631 9.118 1.00 0.00 N ATOM 1313 NH2 ARG A 82 -32.794 11.992 7.929 1.00 0.00 N ATOM 0 H ARG A 82 -29.278 7.462 6.072 1.00 0.00 H new ATOM 0 HA ARG A 82 -28.273 10.055 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -29.955 9.521 7.146 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -28.603 8.894 8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -28.865 11.116 8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -27.484 11.178 7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -29.014 13.059 7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -28.899 12.016 5.915 1.00 0.00 H new ATOM 0 HE ARG A 82 -31.163 11.547 6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -29.929 12.772 9.175 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -31.529 12.842 9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -33.215 11.641 7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -33.382 12.204 8.735 1.00 0.00 H new ATOM 1327 N GLY A 83 -25.854 9.947 5.781 1.00 0.00 N ATOM 1328 CA GLY A 83 -24.421 9.838 5.977 1.00 0.00 C ATOM 1329 C GLY A 83 -23.949 10.562 7.223 1.00 0.00 C ATOM 1330 O GLY A 83 -23.100 11.450 7.149 1.00 0.00 O ATOM 0 H GLY A 83 -26.154 10.771 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -24.146 8.786 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -23.906 10.246 5.107 1.00 0.00 H new ATOM 1334 N TYR A 84 -24.502 10.183 8.370 1.00 0.00 N ATOM 1335 CA TYR A 84 -24.136 10.806 9.636 1.00 0.00 C ATOM 1336 C TYR A 84 -23.120 9.952 10.389 1.00 0.00 C ATOM 1337 O TYR A 84 -23.455 9.290 11.371 1.00 0.00 O ATOM 1338 CB TYR A 84 -25.379 11.020 10.501 1.00 0.00 C ATOM 1339 CG TYR A 84 -25.241 12.156 11.489 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -24.203 12.178 12.413 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -26.148 13.209 11.498 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -24.074 13.213 13.318 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -26.025 14.250 12.399 1.00 0.00 C ATOM 1344 CZ TYR A 84 -24.987 14.247 13.307 1.00 0.00 C ATOM 1345 OH TYR A 84 -24.860 15.281 14.205 1.00 0.00 O ATOM 0 H TYR A 84 -25.205 9.448 8.449 1.00 0.00 H new ATOM 0 HA TYR A 84 -23.682 11.773 9.419 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -26.233 11.215 9.853 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -25.595 10.101 11.045 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -23.485 11.372 12.423 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -26.963 13.214 10.789 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -23.263 13.213 14.031 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -26.738 15.061 12.392 1.00 0.00 H new ATOM 0 HH TYR A 84 -25.583 15.928 14.064 1.00 0.00 H new ATOM 1355 N ALA A 85 -21.876 9.974 9.921 1.00 0.00 N ATOM 1356 CA ALA A 85 -20.810 9.205 10.550 1.00 0.00 C ATOM 1357 C ALA A 85 -19.462 9.502 9.901 1.00 0.00 C ATOM 1358 O ALA A 85 -19.317 9.410 8.682 1.00 0.00 O ATOM 1359 CB ALA A 85 -21.118 7.717 10.476 1.00 0.00 C ATOM 0 H ALA A 85 -21.582 10.516 9.108 1.00 0.00 H new ATOM 0 HA ALA A 85 -20.752 9.501 11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -20.313 7.155 10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -22.056 7.513 10.993 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -21.206 7.415 9.432 1.00 0.00 H new ATOM 1365 N ASP A 86 -18.481 9.858 10.722 1.00 0.00 N ATOM 1366 CA ASP A 86 -17.145 10.168 10.226 1.00 0.00 C ATOM 1367 C ASP A 86 -16.279 8.913 10.176 1.00 0.00 C ATOM 1368 O ASP A 86 -16.595 7.902 10.806 1.00 0.00 O ATOM 1369 CB ASP A 86 -16.482 11.224 11.112 1.00 0.00 C ATOM 1370 CG ASP A 86 -15.189 11.748 10.519 1.00 0.00 C ATOM 1371 OD1 ASP A 86 -15.220 12.250 9.375 1.00 0.00 O ATOM 1372 OD2 ASP A 86 -14.145 11.657 11.198 1.00 0.00 O ATOM 0 H ASP A 86 -18.585 9.939 11.733 1.00 0.00 H new ATOM 0 HA ASP A 86 -17.242 10.562 9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -17.172 12.054 11.262 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -16.281 10.796 12.094 1.00 0.00 H new ATOM 1377 N LEU A 87 -15.188 8.983 9.422 1.00 0.00 N ATOM 1378 CA LEU A 87 -14.276 7.852 9.288 1.00 0.00 C ATOM 1379 C LEU A 87 -12.989 8.094 10.070 1.00 0.00 C ATOM 1380 O LEU A 87 -12.826 9.133 10.709 1.00 0.00 O ATOM 1381 CB LEU A 87 -13.952 7.604 7.814 1.00 0.00 C ATOM 1382 CG LEU A 87 -15.152 7.385 6.891 1.00 0.00 C ATOM 1383 CD1 LEU A 87 -14.712 7.390 5.435 1.00 0.00 C ATOM 1384 CD2 LEU A 87 -15.856 6.080 7.233 1.00 0.00 C ATOM 0 H LEU A 87 -14.913 9.811 8.894 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.768 6.970 9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.382 8.454 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.303 6.731 7.747 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.856 8.204 7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.578 7.233 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.253 8.350 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.989 6.591 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -16.707 5.940 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -15.161 5.249 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.205 6.114 8.265 1.00 0.00 H new ATOM 1396 N ARG A 88 -12.077 7.129 10.011 1.00 0.00 N ATOM 1397 CA ARG A 88 -10.804 7.238 10.713 1.00 0.00 C ATOM 1398 C ARG A 88 -9.786 6.250 10.150 1.00 0.00 C ATOM 1399 O ARG A 88 -10.142 5.146 9.738 1.00 0.00 O ATOM 1400 CB ARG A 88 -10.999 6.988 12.210 1.00 0.00 C ATOM 1401 CG ARG A 88 -9.814 7.419 13.058 1.00 0.00 C ATOM 1402 CD ARG A 88 -9.897 8.893 13.424 1.00 0.00 C ATOM 1403 NE ARG A 88 -9.146 9.199 14.638 1.00 0.00 N ATOM 1404 CZ ARG A 88 -9.277 10.334 15.316 1.00 0.00 C ATOM 1405 NH1 ARG A 88 -10.124 11.265 14.901 1.00 0.00 N ATOM 1406 NH2 ARG A 88 -8.559 10.539 16.413 1.00 0.00 N ATOM 0 H ARG A 88 -12.196 6.263 9.485 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.423 8.249 10.567 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.889 7.521 12.546 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.184 5.926 12.372 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.778 6.819 13.967 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.888 7.230 12.515 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.513 9.493 12.599 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.941 9.174 13.563 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.485 8.504 14.984 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.678 11.111 14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.222 12.135 15.424 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.906 9.825 16.736 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.660 11.411 16.933 1.00 0.00 H new ATOM 1420 N GLU A 89 -8.520 6.655 10.135 1.00 0.00 N ATOM 1421 CA GLU A 89 -7.453 5.806 9.621 1.00 0.00 C ATOM 1422 C GLU A 89 -6.210 5.901 10.501 1.00 0.00 C ATOM 1423 O GLU A 89 -6.201 6.613 11.506 1.00 0.00 O ATOM 1424 CB GLU A 89 -7.105 6.199 8.184 1.00 0.00 C ATOM 1425 CG GLU A 89 -8.192 5.858 7.179 1.00 0.00 C ATOM 1426 CD GLU A 89 -8.050 4.456 6.619 1.00 0.00 C ATOM 1427 OE1 GLU A 89 -8.386 3.493 7.340 1.00 0.00 O ATOM 1428 OE2 GLU A 89 -7.604 4.322 5.461 1.00 0.00 O ATOM 0 H GLU A 89 -8.209 7.566 10.473 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.807 4.775 9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.911 7.271 8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.182 5.697 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.167 5.958 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.163 6.577 6.360 1.00 0.00 H new ATOM 1435 N ASP A 90 -5.163 5.179 10.117 1.00 0.00 N ATOM 1436 CA ASP A 90 -3.914 5.182 10.870 1.00 0.00 C ATOM 1437 C ASP A 90 -2.772 4.621 10.029 1.00 0.00 C ATOM 1438 O ASP A 90 -2.254 3.534 10.287 1.00 0.00 O ATOM 1439 CB ASP A 90 -4.067 4.366 12.155 1.00 0.00 C ATOM 1440 CG ASP A 90 -4.548 5.207 13.321 1.00 0.00 C ATOM 1441 OD1 ASP A 90 -3.714 5.910 13.928 1.00 0.00 O ATOM 1442 OD2 ASP A 90 -5.758 5.161 13.627 1.00 0.00 O ATOM 0 H ASP A 90 -5.154 4.584 9.289 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.677 6.214 11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.771 3.552 11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.110 3.911 12.409 1.00 0.00 H new ATOM 1447 N PRO A 91 -2.369 5.378 8.998 1.00 0.00 N ATOM 1448 CA PRO A 91 -1.283 4.976 8.098 1.00 0.00 C ATOM 1449 C PRO A 91 0.079 5.009 8.781 1.00 0.00 C ATOM 1450 O PRO A 91 0.582 6.076 9.134 1.00 0.00 O ATOM 1451 CB PRO A 91 -1.346 6.020 6.979 1.00 0.00 C ATOM 1452 CG PRO A 91 -1.972 7.215 7.611 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.941 6.684 8.631 1.00 0.00 C ATOM 0 HA PRO A 91 -1.401 3.950 7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.352 6.250 6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.938 5.662 6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.219 7.848 8.081 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.484 7.827 6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.019 7.345 9.494 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.944 6.581 8.217 1.00 0.00 H new ATOM 1461 N ASP A 92 0.672 3.835 8.966 1.00 0.00 N ATOM 1462 CA ASP A 92 1.978 3.729 9.606 1.00 0.00 C ATOM 1463 C ASP A 92 2.966 2.994 8.707 1.00 0.00 C ATOM 1464 O ASP A 92 4.063 3.486 8.441 1.00 0.00 O ATOM 1465 CB ASP A 92 1.854 3.006 10.948 1.00 0.00 C ATOM 1466 CG ASP A 92 0.920 3.718 11.907 1.00 0.00 C ATOM 1467 OD1 ASP A 92 0.983 4.963 11.980 1.00 0.00 O ATOM 1468 OD2 ASP A 92 0.128 3.031 12.584 1.00 0.00 O ATOM 0 H ASP A 92 0.269 2.942 8.682 1.00 0.00 H new ATOM 0 HA ASP A 92 2.354 4.738 9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.492 1.992 10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.841 2.920 11.403 1.00 0.00 H new ATOM 1473 N ARG A 93 2.571 1.813 8.242 1.00 0.00 N ATOM 1474 CA ARG A 93 3.424 1.009 7.375 1.00 0.00 C ATOM 1475 C ARG A 93 3.878 1.815 6.162 1.00 0.00 C ATOM 1476 O ARG A 93 3.093 2.548 5.563 1.00 0.00 O ATOM 1477 CB ARG A 93 2.681 -0.247 6.917 1.00 0.00 C ATOM 1478 CG ARG A 93 2.377 -1.220 8.045 1.00 0.00 C ATOM 1479 CD ARG A 93 3.639 -1.906 8.545 1.00 0.00 C ATOM 1480 NE ARG A 93 4.205 -2.806 7.544 1.00 0.00 N ATOM 1481 CZ ARG A 93 5.406 -3.364 7.653 1.00 0.00 C ATOM 1482 NH1 ARG A 93 6.162 -3.115 8.713 1.00 0.00 N ATOM 1483 NH2 ARG A 93 5.852 -4.172 6.700 1.00 0.00 N ATOM 0 H ARG A 93 1.666 1.392 8.451 1.00 0.00 H new ATOM 0 HA ARG A 93 4.305 0.714 7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.746 0.048 6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.278 -0.756 6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.901 -0.687 8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.667 -1.971 7.698 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.379 -1.152 8.815 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.412 -2.468 9.451 1.00 0.00 H new ATOM 0 HE ARG A 93 3.648 -3.018 6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.822 -2.494 9.447 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.084 -3.545 8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.273 -4.365 5.883 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.774 -4.600 6.784 1.00 0.00 H new ATOM 1497 N GLN A 94 5.151 1.672 5.806 1.00 0.00 N ATOM 1498 CA GLN A 94 5.710 2.388 4.665 1.00 0.00 C ATOM 1499 C GLN A 94 6.762 1.542 3.955 1.00 0.00 C ATOM 1500 O GLN A 94 7.314 0.606 4.533 1.00 0.00 O ATOM 1501 CB GLN A 94 6.325 3.713 5.119 1.00 0.00 C ATOM 1502 CG GLN A 94 7.466 3.546 6.109 1.00 0.00 C ATOM 1503 CD GLN A 94 6.982 3.399 7.538 1.00 0.00 C ATOM 1504 OE1 GLN A 94 6.913 2.291 8.071 1.00 0.00 O ATOM 1505 NE2 GLN A 94 6.644 4.518 8.168 1.00 0.00 N ATOM 0 H GLN A 94 5.814 1.067 6.291 1.00 0.00 H new ATOM 0 HA GLN A 94 4.901 2.593 3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.689 4.253 4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.548 4.328 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.053 2.669 5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.130 4.408 6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.717 5.415 7.688 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.312 4.480 9.132 1.00 0.00 H new ATOM 1514 N ASP A 95 7.034 1.878 2.699 1.00 0.00 N ATOM 1515 CA ASP A 95 8.020 1.150 1.909 1.00 0.00 C ATOM 1516 C ASP A 95 9.244 2.019 1.634 1.00 0.00 C ATOM 1517 O ASP A 95 9.300 3.179 2.043 1.00 0.00 O ATOM 1518 CB ASP A 95 7.405 0.683 0.589 1.00 0.00 C ATOM 1519 CG ASP A 95 6.646 -0.621 0.734 1.00 0.00 C ATOM 1520 OD1 ASP A 95 7.289 -1.691 0.688 1.00 0.00 O ATOM 1521 OD2 ASP A 95 5.408 -0.572 0.896 1.00 0.00 O ATOM 0 H ASP A 95 6.585 2.650 2.206 1.00 0.00 H new ATOM 0 HA ASP A 95 8.336 0.278 2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 95 6.731 1.453 0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.194 0.560 -0.153 1.00 0.00 H new ATOM 1526 N HIS A 96 10.224 1.449 0.940 1.00 0.00 N ATOM 1527 CA HIS A 96 11.448 2.171 0.611 1.00 0.00 C ATOM 1528 C HIS A 96 12.160 1.522 -0.573 1.00 0.00 C ATOM 1529 O HIS A 96 11.958 0.342 -0.861 1.00 0.00 O ATOM 1530 CB HIS A 96 12.381 2.213 1.821 1.00 0.00 C ATOM 1531 CG HIS A 96 12.869 0.863 2.249 1.00 0.00 C ATOM 1532 ND1 HIS A 96 14.024 0.291 1.758 1.00 0.00 N ATOM 1533 CD2 HIS A 96 12.353 -0.027 3.127 1.00 0.00 C ATOM 1534 CE1 HIS A 96 14.196 -0.894 2.316 1.00 0.00 C ATOM 1535 NE2 HIS A 96 13.196 -1.111 3.151 1.00 0.00 N ATOM 0 H HIS A 96 10.194 0.490 0.595 1.00 0.00 H new ATOM 0 HA HIS A 96 11.177 3.190 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 96 13.239 2.843 1.586 1.00 0.00 H new ATOM 0 HB3 HIS A 96 11.860 2.683 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.447 0.092 3.702 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.015 -1.570 2.122 1.00 0.00 H new ATOM 0 HE2 HIS A 96 13.070 -1.948 3.721 1.00 0.00 H new ATOM 1543 N HIS A 97 12.993 2.301 -1.255 1.00 0.00 N ATOM 1544 CA HIS A 97 13.735 1.803 -2.408 1.00 0.00 C ATOM 1545 C HIS A 97 15.196 1.554 -2.047 1.00 0.00 C ATOM 1546 O HIS A 97 15.715 2.075 -1.060 1.00 0.00 O ATOM 1547 CB HIS A 97 13.646 2.796 -3.567 1.00 0.00 C ATOM 1548 CG HIS A 97 12.456 2.580 -4.450 1.00 0.00 C ATOM 1549 ND1 HIS A 97 12.558 2.180 -5.766 1.00 0.00 N ATOM 1550 CD2 HIS A 97 11.132 2.710 -4.200 1.00 0.00 C ATOM 1551 CE1 HIS A 97 11.348 2.074 -6.287 1.00 0.00 C ATOM 1552 NE2 HIS A 97 10.465 2.390 -5.357 1.00 0.00 N ATOM 0 H HIS A 97 13.171 3.280 -1.029 1.00 0.00 H new ATOM 0 HA HIS A 97 13.288 0.857 -2.715 1.00 0.00 H new ATOM 0 HB2 HIS A 97 13.611 3.809 -3.165 1.00 0.00 H new ATOM 0 HB3 HIS A 97 14.552 2.723 -4.168 1.00 0.00 H new ATOM 0 HD2 HIS A 97 10.683 3.010 -3.264 1.00 0.00 H new ATOM 0 HE1 HIS A 97 11.120 1.779 -7.301 1.00 0.00 H new ATOM 0 HE2 HIS A 97 9.452 2.395 -5.478 1.00 0.00 H new ATOM 1560 N PRO A 98 15.877 0.737 -2.864 1.00 0.00 N ATOM 1561 CA PRO A 98 17.288 0.400 -2.651 1.00 0.00 C ATOM 1562 C PRO A 98 18.212 1.585 -2.906 1.00 0.00 C ATOM 1563 O PRO A 98 17.755 2.711 -3.100 1.00 0.00 O ATOM 1564 CB PRO A 98 17.546 -0.709 -3.674 1.00 0.00 C ATOM 1565 CG PRO A 98 16.539 -0.477 -4.747 1.00 0.00 C ATOM 1566 CD PRO A 98 15.323 0.079 -4.060 1.00 0.00 C ATOM 0 HA PRO A 98 17.485 0.103 -1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.562 -0.657 -4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.427 -1.696 -3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.918 0.220 -5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.303 -1.405 -5.268 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.790 0.785 -4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.616 -0.708 -3.795 1.00 0.00 H new ATOM 1574 N GLY A 99 19.516 1.325 -2.905 1.00 0.00 N ATOM 1575 CA GLY A 99 20.484 2.381 -3.138 1.00 0.00 C ATOM 1576 C GLY A 99 21.602 1.948 -4.066 1.00 0.00 C ATOM 1577 O GLY A 99 22.713 2.474 -3.997 1.00 0.00 O ATOM 0 H GLY A 99 19.919 0.402 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 99 19.977 3.247 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 99 20.909 2.697 -2.185 1.00 0.00 H new ATOM 1581 N SER A 100 21.309 0.986 -4.934 1.00 0.00 N ATOM 1582 CA SER A 100 22.301 0.479 -5.876 1.00 0.00 C ATOM 1583 C SER A 100 21.959 0.897 -7.303 1.00 0.00 C ATOM 1584 O SER A 100 20.849 1.350 -7.580 1.00 0.00 O ATOM 1585 CB SER A 100 22.386 -1.046 -5.787 1.00 0.00 C ATOM 1586 OG SER A 100 21.097 -1.624 -5.672 1.00 0.00 O ATOM 0 H SER A 100 20.394 0.542 -5.005 1.00 0.00 H new ATOM 0 HA SER A 100 23.268 0.907 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.886 -1.438 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 100 22.993 -1.330 -4.927 1.00 0.00 H new ATOM 0 HG SER A 100 21.179 -2.599 -5.619 1.00 0.00 H new ATOM 1592 N GLY A 101 22.923 0.743 -8.205 1.00 0.00 N ATOM 1593 CA GLY A 101 22.706 1.109 -9.592 1.00 0.00 C ATOM 1594 C GLY A 101 23.969 1.611 -10.264 1.00 0.00 C ATOM 1595 O GLY A 101 23.968 2.670 -10.890 1.00 0.00 O ATOM 0 H GLY A 101 23.850 0.371 -8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 101 22.327 0.245 -10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 101 21.939 1.881 -9.645 1.00 0.00 H new ATOM 1599 N ALA A 102 25.050 0.849 -10.132 1.00 0.00 N ATOM 1600 CA ALA A 102 26.325 1.223 -10.731 1.00 0.00 C ATOM 1601 C ALA A 102 27.056 -0.001 -11.274 1.00 0.00 C ATOM 1602 O ALA A 102 26.763 -1.131 -10.886 1.00 0.00 O ATOM 1603 CB ALA A 102 27.193 1.951 -9.715 1.00 0.00 C ATOM 0 H ALA A 102 25.068 -0.031 -9.616 1.00 0.00 H new ATOM 0 HA ALA A 102 26.123 1.894 -11.566 1.00 0.00 H new ATOM 0 HB1 ALA A 102 28.142 2.224 -10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 102 26.681 2.852 -9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 102 27.379 1.299 -8.862 1.00 0.00 H new ATOM 1609 N GLN A 103 28.007 0.234 -12.173 1.00 0.00 N ATOM 1610 CA GLN A 103 28.778 -0.851 -12.769 1.00 0.00 C ATOM 1611 C GLN A 103 30.274 -0.570 -12.676 1.00 0.00 C ATOM 1612 O GLN A 103 31.097 -1.465 -12.866 1.00 0.00 O ATOM 1613 CB GLN A 103 28.373 -1.048 -14.231 1.00 0.00 C ATOM 1614 CG GLN A 103 28.899 0.035 -15.159 1.00 0.00 C ATOM 1615 CD GLN A 103 30.268 -0.293 -15.722 1.00 0.00 C ATOM 1616 OE1 GLN A 103 31.275 0.287 -15.314 1.00 0.00 O ATOM 1617 NE2 GLN A 103 30.312 -1.227 -16.665 1.00 0.00 N ATOM 0 H GLN A 103 28.262 1.165 -12.504 1.00 0.00 H new ATOM 0 HA GLN A 103 28.564 -1.764 -12.214 1.00 0.00 H new ATOM 0 HB2 GLN A 103 28.738 -2.017 -14.573 1.00 0.00 H new ATOM 0 HB3 GLN A 103 27.285 -1.075 -14.298 1.00 0.00 H new ATOM 0 HG2 GLN A 103 28.197 0.177 -15.981 1.00 0.00 H new ATOM 0 HG3 GLN A 103 28.950 0.979 -14.617 1.00 0.00 H new ATOM 0 HE21 GLN A 103 29.452 -1.682 -16.973 1.00 0.00 H new ATOM 0 HE22 GLN A 103 31.205 -1.490 -17.081 1.00 0.00 H new TER 1626 GLN A 103