USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 THR OG1 : rot 180:sc= 0.778 USER MOD Set 1.2: A 70 THR OG1 : rot -139:sc= 0.24 USER MOD Single : A 7 SER OG : rot 32:sc= 0.0542 USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.0924 X(o=-0.092,f=-0.092) USER MOD Single : A 18 THR OG1 : rot -34:sc= 0.729 USER MOD Single : A 19 SER OG : rot -168:sc= 0.977 USER MOD Single : A 20 MET CE :methyl -154:sc= -0.243 (180deg=-1.02) USER MOD Single : A 24 TYR OH : rot -157:sc= -0.222 USER MOD Single : A 30 MET CE :methyl -137:sc= -1.18 (180deg=-3.43!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.5) USER MOD Single : A 44 LYS NZ :NH3+ -115:sc= 0.686 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0233 K(o=-0.023,f=-1.1) USER MOD Single : A 47 GLN : amide:sc= -0.559 K(o=-0.56,f=-1.6) USER MOD Single : A 49 SER OG : rot -81:sc= 0.678 USER MOD Single : A 51 CYS SG : rot 180:sc= -0.439 USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.0066 (180deg=-0.131) USER MOD Single : A 54 GLN : amide:sc= -0.88 X(o=-0.88,f=-0.43) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 148:sc= -1.5! USER MOD Single : A 66 SER OG : rot 170:sc= -2.71! USER MOD Single : A 68 SER OG : rot -153:sc= -1.67! USER MOD Single : A 75 SER OG : rot 180:sc= 0.653 USER MOD Single : A 77 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.35) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= -0.0473 (180deg=-0.274) USER MOD Single : A 80 LYS NZ :NH3+ 139:sc= 0.605 (180deg=0.0318) USER MOD Single : A 81 MET CE :methyl 160:sc= 0 (180deg=-0.634) USER MOD Single : A 82 MET CE :methyl 142:sc= -3.56! (180deg=-6.35!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.321 3.997 0.170 1.00 0.00 N ATOM 32 CA SER A 7 13.149 3.268 -1.075 1.00 0.00 C ATOM 33 C SER A 7 13.279 1.766 -0.838 1.00 0.00 C ATOM 34 O SER A 7 13.209 1.310 0.301 1.00 0.00 O ATOM 35 CB SER A 7 14.143 3.754 -2.137 1.00 0.00 C ATOM 36 OG SER A 7 13.967 5.138 -2.395 1.00 0.00 O ATOM 0 HA SER A 7 12.145 3.463 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.163 3.569 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.005 3.187 -3.058 1.00 0.00 H new ATOM 0 HG SER A 7 13.673 5.589 -1.576 1.00 0.00 H new ATOM 42 N GLN A 8 13.420 1.003 -1.905 1.00 0.00 N ATOM 43 CA GLN A 8 13.572 -0.442 -1.805 1.00 0.00 C ATOM 44 C GLN A 8 14.862 -0.827 -1.089 1.00 0.00 C ATOM 45 O GLN A 8 15.961 -0.580 -1.592 1.00 0.00 O ATOM 46 CB GLN A 8 13.570 -1.069 -3.200 1.00 0.00 C ATOM 47 CG GLN A 8 13.686 -2.586 -3.196 1.00 0.00 C ATOM 48 CD GLN A 8 13.902 -3.160 -4.585 1.00 0.00 C ATOM 49 OE1 GLN A 8 13.389 -2.482 -5.600 1.00 0.00 O flip ATOM 50 NE2 GLN A 8 14.535 -4.203 -4.743 1.00 0.00 N flip ATOM 0 H GLN A 8 13.433 1.361 -2.860 1.00 0.00 H new ATOM 0 HA GLN A 8 12.730 -0.817 -1.223 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.651 -0.786 -3.713 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.397 -0.653 -3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.514 -2.881 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.780 -3.015 -2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.915 -4.696 -3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.680 -4.574 -5.682 1.00 0.00 H new ATOM 59 N LEU A 9 14.721 -1.412 0.089 1.00 0.00 N ATOM 60 CA LEU A 9 15.834 -2.060 0.762 1.00 0.00 C ATOM 61 C LEU A 9 15.845 -3.524 0.373 1.00 0.00 C ATOM 62 O LEU A 9 14.961 -4.275 0.774 1.00 0.00 O ATOM 63 CB LEU A 9 15.738 -1.970 2.296 1.00 0.00 C ATOM 64 CG LEU A 9 15.686 -0.562 2.908 1.00 0.00 C ATOM 65 CD1 LEU A 9 16.677 0.368 2.219 1.00 0.00 C ATOM 66 CD2 LEU A 9 14.277 0.008 2.861 1.00 0.00 C ATOM 0 H LEU A 9 13.840 -1.451 0.602 1.00 0.00 H new ATOM 0 HA LEU A 9 16.745 -1.547 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.846 -2.510 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.595 -2.493 2.721 1.00 0.00 H new ATOM 0 HG LEU A 9 15.974 -0.644 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.621 1.359 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.687 -0.026 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.434 0.438 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.273 1.005 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.943 0.067 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.604 -0.639 3.423 1.00 0.00 H new ATOM 78 N GLY A 10 16.812 -3.921 -0.429 1.00 0.00 N ATOM 79 CA GLY A 10 16.951 -5.321 -0.776 1.00 0.00 C ATOM 80 C GLY A 10 18.272 -5.905 -0.310 1.00 0.00 C ATOM 81 O GLY A 10 19.158 -6.145 -1.131 1.00 0.00 O ATOM 0 H GLY A 10 17.506 -3.302 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.131 -5.885 -0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.868 -5.434 -1.857 1.00 0.00 H new ATOM 85 N PRO A 11 18.440 -6.140 1.006 1.00 0.00 N ATOM 86 CA PRO A 11 19.678 -6.694 1.561 1.00 0.00 C ATOM 87 C PRO A 11 19.810 -8.186 1.277 1.00 0.00 C ATOM 88 O PRO A 11 20.785 -8.629 0.668 1.00 0.00 O ATOM 89 CB PRO A 11 19.550 -6.444 3.074 1.00 0.00 C ATOM 90 CG PRO A 11 18.324 -5.609 3.249 1.00 0.00 C ATOM 91 CD PRO A 11 17.453 -5.891 2.060 1.00 0.00 C ATOM 0 HA PRO A 11 20.563 -6.233 1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 11 19.463 -7.384 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.430 -5.931 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.810 -5.861 4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.578 -4.550 3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.806 -6.753 2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.805 -5.048 1.820 1.00 0.00 H new ATOM 99 N ILE A 12 18.828 -8.956 1.725 1.00 0.00 N ATOM 100 CA ILE A 12 18.796 -10.385 1.456 1.00 0.00 C ATOM 101 C ILE A 12 17.768 -10.700 0.372 1.00 0.00 C ATOM 102 O ILE A 12 16.785 -9.978 0.208 1.00 0.00 O ATOM 103 CB ILE A 12 18.531 -11.219 2.736 1.00 0.00 C ATOM 104 CG1 ILE A 12 17.513 -10.540 3.665 1.00 0.00 C ATOM 105 CG2 ILE A 12 19.833 -11.472 3.479 1.00 0.00 C ATOM 106 CD1 ILE A 12 16.069 -10.745 3.264 1.00 0.00 C ATOM 0 H ILE A 12 18.042 -8.613 2.277 1.00 0.00 H new ATOM 0 HA ILE A 12 19.784 -10.671 1.095 1.00 0.00 H new ATOM 0 HB ILE A 12 18.104 -12.172 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 12 17.654 -10.919 4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 12 17.722 -9.470 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 12 19.632 -12.059 4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 12 20.520 -12.019 2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 12 20.282 -10.520 3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.418 -10.233 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.908 -10.340 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 12 15.839 -11.810 3.265 1.00 0.00 H new ATOM 118 N HIS A 13 18.017 -11.771 -0.371 1.00 0.00 N ATOM 119 CA HIS A 13 17.240 -12.086 -1.567 1.00 0.00 C ATOM 120 C HIS A 13 15.995 -12.992 -1.338 1.00 0.00 C ATOM 121 O HIS A 13 15.216 -13.150 -2.279 1.00 0.00 O ATOM 122 CB HIS A 13 18.167 -12.718 -2.611 1.00 0.00 C ATOM 123 CG HIS A 13 17.594 -12.757 -3.995 1.00 0.00 C ATOM 124 ND1 HIS A 13 17.788 -13.809 -4.860 1.00 0.00 N ATOM 125 CD2 HIS A 13 16.833 -11.858 -4.662 1.00 0.00 C ATOM 126 CE1 HIS A 13 17.175 -13.554 -6.002 1.00 0.00 C ATOM 127 NE2 HIS A 13 16.587 -12.378 -5.905 1.00 0.00 N ATOM 0 H HIS A 13 18.757 -12.442 -0.165 1.00 0.00 H new ATOM 0 HA HIS A 13 16.830 -11.138 -1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 13 19.104 -12.162 -2.633 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.407 -13.735 -2.300 1.00 0.00 H new ATOM 0 HD2 HIS A 13 16.485 -10.908 -4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.158 -14.199 -6.868 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.038 -11.928 -6.637 1.00 0.00 H new ATOM 136 N PRO A 14 15.791 -13.652 -0.150 1.00 0.00 N ATOM 137 CA PRO A 14 14.535 -14.362 0.156 1.00 0.00 C ATOM 138 C PRO A 14 13.263 -13.639 -0.327 1.00 0.00 C ATOM 139 O PRO A 14 13.285 -12.436 -0.585 1.00 0.00 O ATOM 140 CB PRO A 14 14.534 -14.424 1.681 1.00 0.00 C ATOM 141 CG PRO A 14 15.964 -14.405 2.093 1.00 0.00 C ATOM 142 CD PRO A 14 16.772 -13.870 0.932 1.00 0.00 C ATOM 0 HA PRO A 14 14.508 -15.327 -0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.994 -13.578 2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.038 -15.328 2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.099 -13.778 2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.298 -15.407 2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.278 -12.942 1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.543 -14.578 0.629 1.00 0.00 H new ATOM 150 N PRO A 15 12.134 -14.376 -0.433 1.00 0.00 N ATOM 151 CA PRO A 15 10.838 -13.829 -0.878 1.00 0.00 C ATOM 152 C PRO A 15 10.514 -12.458 -0.273 1.00 0.00 C ATOM 153 O PRO A 15 10.884 -12.169 0.871 1.00 0.00 O ATOM 154 CB PRO A 15 9.846 -14.880 -0.389 1.00 0.00 C ATOM 155 CG PRO A 15 10.604 -16.159 -0.455 1.00 0.00 C ATOM 156 CD PRO A 15 12.037 -15.819 -0.136 1.00 0.00 C ATOM 0 HA PRO A 15 10.820 -13.654 -1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.510 -14.668 0.626 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.957 -14.911 -1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.208 -16.883 0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.522 -16.609 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 15 12.275 -16.029 0.907 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.730 -16.400 -0.744 1.00 0.00 H new ATOM 164 N PRO A 16 9.782 -11.611 -1.028 1.00 0.00 N ATOM 165 CA PRO A 16 9.516 -10.205 -0.662 1.00 0.00 C ATOM 166 C PRO A 16 8.566 -10.043 0.523 1.00 0.00 C ATOM 167 O PRO A 16 7.829 -9.060 0.605 1.00 0.00 O ATOM 168 CB PRO A 16 8.863 -9.636 -1.921 1.00 0.00 C ATOM 169 CG PRO A 16 8.207 -10.806 -2.546 1.00 0.00 C ATOM 170 CD PRO A 16 9.142 -11.958 -2.314 1.00 0.00 C ATOM 0 HA PRO A 16 10.433 -9.705 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.141 -8.856 -1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.602 -9.190 -2.587 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.231 -10.995 -2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.042 -10.642 -3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.608 -12.906 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.873 -12.052 -3.117 1.00 0.00 H new ATOM 178 N ARG A 17 8.592 -10.996 1.439 1.00 0.00 N ATOM 179 CA ARG A 17 7.750 -10.947 2.621 1.00 0.00 C ATOM 180 C ARG A 17 8.497 -10.289 3.777 1.00 0.00 C ATOM 181 O ARG A 17 7.955 -10.131 4.871 1.00 0.00 O ATOM 182 CB ARG A 17 7.257 -12.356 2.990 1.00 0.00 C ATOM 183 CG ARG A 17 8.355 -13.403 3.163 1.00 0.00 C ATOM 184 CD ARG A 17 8.934 -13.397 4.569 1.00 0.00 C ATOM 185 NE ARG A 17 7.893 -13.553 5.585 1.00 0.00 N ATOM 186 CZ ARG A 17 8.056 -13.263 6.878 1.00 0.00 C ATOM 187 NH1 ARG A 17 9.244 -12.888 7.333 1.00 0.00 N ATOM 188 NH2 ARG A 17 7.030 -13.363 7.716 1.00 0.00 N ATOM 0 H ARG A 17 9.192 -11.819 1.385 1.00 0.00 H new ATOM 0 HA ARG A 17 6.872 -10.339 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.687 -12.293 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.570 -12.698 2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.951 -14.391 2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.151 -13.215 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.661 -14.203 4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.470 -12.463 4.738 1.00 0.00 H new ATOM 0 HE ARG A 17 6.984 -13.906 5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.037 -12.820 6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.365 -12.667 8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.117 -13.661 7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.155 -13.141 8.704 1.00 0.00 H new ATOM 202 N THR A 18 9.742 -9.898 3.512 1.00 0.00 N ATOM 203 CA THR A 18 10.558 -9.208 4.505 1.00 0.00 C ATOM 204 C THR A 18 11.895 -8.741 3.917 1.00 0.00 C ATOM 205 O THR A 18 12.718 -8.155 4.622 1.00 0.00 O ATOM 206 CB THR A 18 10.825 -10.122 5.716 1.00 0.00 C ATOM 207 OG1 THR A 18 11.510 -9.407 6.749 1.00 0.00 O ATOM 208 CG2 THR A 18 11.646 -11.339 5.302 1.00 0.00 C ATOM 0 H THR A 18 10.207 -10.048 2.617 1.00 0.00 H new ATOM 0 HA THR A 18 9.998 -8.330 4.826 1.00 0.00 H new ATOM 0 HB THR A 18 9.862 -10.459 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.119 -8.753 6.346 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.823 -11.971 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.101 -11.905 4.547 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.601 -11.011 4.891 1.00 0.00 H new ATOM 216 N SER A 19 12.108 -8.991 2.632 1.00 0.00 N ATOM 217 CA SER A 19 13.372 -8.654 1.998 1.00 0.00 C ATOM 218 C SER A 19 13.325 -7.288 1.343 1.00 0.00 C ATOM 219 O SER A 19 13.715 -6.294 1.948 1.00 0.00 O ATOM 220 CB SER A 19 13.739 -9.725 0.973 1.00 0.00 C ATOM 221 OG SER A 19 12.643 -9.998 0.116 1.00 0.00 O ATOM 0 H SER A 19 11.424 -9.424 2.012 1.00 0.00 H new ATOM 0 HA SER A 19 14.138 -8.617 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.594 -9.393 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.041 -10.638 1.486 1.00 0.00 H new ATOM 0 HG SER A 19 12.828 -10.808 -0.404 1.00 0.00 H new ATOM 227 N MET A 20 12.836 -7.256 0.114 1.00 0.00 N ATOM 228 CA MET A 20 12.750 -6.026 -0.660 1.00 0.00 C ATOM 229 C MET A 20 11.646 -5.119 -0.125 1.00 0.00 C ATOM 230 O MET A 20 10.594 -4.947 -0.745 1.00 0.00 O ATOM 231 CB MET A 20 12.526 -6.346 -2.141 1.00 0.00 C ATOM 232 CG MET A 20 11.393 -7.327 -2.397 1.00 0.00 C ATOM 233 SD MET A 20 10.998 -7.501 -4.149 1.00 0.00 S ATOM 234 CE MET A 20 10.517 -5.822 -4.551 1.00 0.00 C ATOM 0 H MET A 20 12.488 -8.080 -0.376 1.00 0.00 H new ATOM 0 HA MET A 20 13.694 -5.491 -0.561 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.318 -5.419 -2.675 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.447 -6.754 -2.557 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.665 -8.302 -1.992 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.504 -6.996 -1.860 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.834 -5.833 -5.400 1.00 0.00 H new ATOM 0 HE2 MET A 20 10.021 -5.370 -3.692 1.00 0.00 H new ATOM 0 HE3 MET A 20 11.403 -5.241 -4.806 1.00 0.00 H new ATOM 244 N THR A 21 11.901 -4.543 1.033 1.00 0.00 N ATOM 245 CA THR A 21 10.973 -3.624 1.649 1.00 0.00 C ATOM 246 C THR A 21 11.093 -2.262 0.993 1.00 0.00 C ATOM 247 O THR A 21 12.157 -1.655 0.994 1.00 0.00 O ATOM 248 CB THR A 21 11.229 -3.505 3.166 1.00 0.00 C ATOM 249 OG1 THR A 21 10.960 -4.764 3.800 1.00 0.00 O ATOM 250 CG2 THR A 21 10.361 -2.423 3.797 1.00 0.00 C ATOM 0 H THR A 21 12.754 -4.700 1.569 1.00 0.00 H new ATOM 0 HA THR A 21 9.963 -4.009 1.508 1.00 0.00 H new ATOM 0 HB THR A 21 12.273 -3.228 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.125 -4.687 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.568 -2.368 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.584 -1.462 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.309 -2.665 3.643 1.00 0.00 H new ATOM 258 N GLU A 22 10.002 -1.786 0.435 1.00 0.00 N ATOM 259 CA GLU A 22 10.007 -0.508 -0.235 1.00 0.00 C ATOM 260 C GLU A 22 9.598 0.559 0.760 1.00 0.00 C ATOM 261 O GLU A 22 8.508 0.499 1.328 1.00 0.00 O ATOM 262 CB GLU A 22 9.028 -0.536 -1.409 1.00 0.00 C ATOM 263 CG GLU A 22 9.047 0.713 -2.273 1.00 0.00 C ATOM 264 CD GLU A 22 10.163 0.705 -3.293 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.241 -0.264 -4.084 1.00 0.00 O ATOM 266 OE2 GLU A 22 10.952 1.673 -3.325 1.00 0.00 O ATOM 0 H GLU A 22 9.102 -2.265 0.433 1.00 0.00 H new ATOM 0 HA GLU A 22 11.003 -0.290 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.255 -1.399 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.019 -0.680 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.091 0.807 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.152 1.590 -1.634 1.00 0.00 H new ATOM 273 N GLU A 23 10.480 1.506 1.007 1.00 0.00 N ATOM 274 CA GLU A 23 10.169 2.579 1.928 1.00 0.00 C ATOM 275 C GLU A 23 9.739 3.797 1.145 1.00 0.00 C ATOM 276 O GLU A 23 10.556 4.480 0.519 1.00 0.00 O ATOM 277 CB GLU A 23 11.359 2.907 2.830 1.00 0.00 C ATOM 278 CG GLU A 23 11.044 3.953 3.890 1.00 0.00 C ATOM 279 CD GLU A 23 12.132 4.076 4.935 1.00 0.00 C ATOM 280 OE1 GLU A 23 12.222 3.186 5.810 1.00 0.00 O ATOM 281 OE2 GLU A 23 12.904 5.059 4.890 1.00 0.00 O ATOM 0 H GLU A 23 11.409 1.555 0.588 1.00 0.00 H new ATOM 0 HA GLU A 23 9.354 2.257 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.696 1.994 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.185 3.262 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.899 4.920 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.104 3.696 4.379 1.00 0.00 H new ATOM 288 N TYR A 24 8.455 4.062 1.183 1.00 0.00 N ATOM 289 CA TYR A 24 7.869 5.083 0.357 1.00 0.00 C ATOM 290 C TYR A 24 7.814 6.422 1.065 1.00 0.00 C ATOM 291 O TYR A 24 7.184 6.567 2.114 1.00 0.00 O ATOM 292 CB TYR A 24 6.481 4.649 -0.090 1.00 0.00 C ATOM 293 CG TYR A 24 6.406 4.422 -1.575 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.676 3.177 -2.116 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.092 5.458 -2.437 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.633 2.968 -3.478 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.041 5.260 -3.799 1.00 0.00 C ATOM 298 CZ TYR A 24 6.315 4.012 -4.317 1.00 0.00 C ATOM 299 OH TYR A 24 6.278 3.804 -5.674 1.00 0.00 O ATOM 0 H TYR A 24 7.791 3.576 1.786 1.00 0.00 H new ATOM 0 HA TYR A 24 8.503 5.214 -0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.204 3.732 0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.755 5.410 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.924 2.356 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.883 6.438 -2.035 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.848 1.991 -3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.788 6.078 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 24 6.407 4.657 -6.139 1.00 0.00 H new ATOM 309 N ARG A 25 8.502 7.388 0.482 1.00 0.00 N ATOM 310 CA ARG A 25 8.470 8.756 0.956 1.00 0.00 C ATOM 311 C ARG A 25 7.230 9.446 0.412 1.00 0.00 C ATOM 312 O ARG A 25 7.225 9.943 -0.714 1.00 0.00 O ATOM 313 CB ARG A 25 9.711 9.502 0.491 1.00 0.00 C ATOM 314 CG ARG A 25 11.018 8.921 0.998 1.00 0.00 C ATOM 315 CD ARG A 25 12.180 9.524 0.235 1.00 0.00 C ATOM 316 NE ARG A 25 13.483 9.153 0.775 1.00 0.00 N ATOM 317 CZ ARG A 25 14.625 9.338 0.113 1.00 0.00 C ATOM 318 NH1 ARG A 25 14.605 9.833 -1.118 1.00 0.00 N ATOM 319 NH2 ARG A 25 15.782 9.035 0.678 1.00 0.00 N ATOM 0 H ARG A 25 9.098 7.244 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 25 8.446 8.756 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.729 9.509 -0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.639 10.540 0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.127 9.123 2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.016 7.838 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.124 9.209 -0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.087 10.610 0.245 1.00 0.00 H new ATOM 0 HE ARG A 25 13.522 8.732 1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.716 10.072 -1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.479 9.975 -1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.804 8.658 1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.653 9.179 0.166 1.00 0.00 H new ATOM 333 N VAL A 26 6.187 9.458 1.207 1.00 0.00 N ATOM 334 CA VAL A 26 4.919 10.015 0.793 1.00 0.00 C ATOM 335 C VAL A 26 4.588 11.243 1.635 1.00 0.00 C ATOM 336 O VAL A 26 4.515 11.161 2.855 1.00 0.00 O ATOM 337 CB VAL A 26 3.801 8.947 0.895 1.00 0.00 C ATOM 338 CG1 VAL A 26 3.973 8.094 2.139 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.421 9.584 0.867 1.00 0.00 C ATOM 0 H VAL A 26 6.192 9.084 2.156 1.00 0.00 H new ATOM 0 HA VAL A 26 4.990 10.326 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 26 3.888 8.299 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.175 7.353 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.937 7.587 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.931 8.729 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.660 8.807 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.320 10.271 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.292 10.131 -0.067 1.00 0.00 H new ATOM 349 N PRO A 27 4.412 12.404 0.982 1.00 0.00 N ATOM 350 CA PRO A 27 4.156 13.682 1.662 1.00 0.00 C ATOM 351 C PRO A 27 2.955 13.613 2.597 1.00 0.00 C ATOM 352 O PRO A 27 2.055 12.802 2.398 1.00 0.00 O ATOM 353 CB PRO A 27 3.885 14.651 0.509 1.00 0.00 C ATOM 354 CG PRO A 27 4.588 14.048 -0.655 1.00 0.00 C ATOM 355 CD PRO A 27 4.457 12.564 -0.476 1.00 0.00 C ATOM 0 HA PRO A 27 4.991 13.979 2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.817 14.753 0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.266 15.648 0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.140 14.371 -1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.635 14.350 -0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.555 12.179 -0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.300 12.030 -0.914 1.00 0.00 H new ATOM 363 N ASP A 28 2.937 14.477 3.603 1.00 0.00 N ATOM 364 CA ASP A 28 1.883 14.462 4.617 1.00 0.00 C ATOM 365 C ASP A 28 0.499 14.655 3.983 1.00 0.00 C ATOM 366 O ASP A 28 -0.477 14.013 4.382 1.00 0.00 O ATOM 367 CB ASP A 28 2.158 15.542 5.666 1.00 0.00 C ATOM 368 CG ASP A 28 1.063 15.634 6.717 1.00 0.00 C ATOM 369 OD1 ASP A 28 1.024 14.778 7.627 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.243 16.571 6.642 1.00 0.00 O ATOM 0 H ASP A 28 3.642 15.201 3.742 1.00 0.00 H new ATOM 0 HA ASP A 28 1.885 13.487 5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.109 15.333 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.261 16.507 5.169 1.00 0.00 H new ATOM 375 N GLY A 29 0.419 15.524 2.986 1.00 0.00 N ATOM 376 CA GLY A 29 -0.823 15.696 2.256 1.00 0.00 C ATOM 377 C GLY A 29 -1.120 14.508 1.356 1.00 0.00 C ATOM 378 O GLY A 29 -2.280 14.144 1.144 1.00 0.00 O ATOM 0 H GLY A 29 1.189 16.113 2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.643 15.831 2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.768 16.603 1.654 1.00 0.00 H new ATOM 382 N MET A 30 -0.066 13.873 0.859 1.00 0.00 N ATOM 383 CA MET A 30 -0.214 12.759 -0.068 1.00 0.00 C ATOM 384 C MET A 30 -0.592 11.484 0.666 1.00 0.00 C ATOM 385 O MET A 30 -1.261 10.626 0.109 1.00 0.00 O ATOM 386 CB MET A 30 1.071 12.528 -0.865 1.00 0.00 C ATOM 387 CG MET A 30 1.119 13.203 -2.233 1.00 0.00 C ATOM 388 SD MET A 30 1.117 15.005 -2.156 1.00 0.00 S ATOM 389 CE MET A 30 -0.637 15.342 -2.058 1.00 0.00 C ATOM 0 H MET A 30 0.900 14.111 1.083 1.00 0.00 H new ATOM 0 HA MET A 30 -1.015 13.020 -0.760 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.915 12.882 -0.273 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.206 11.455 -1.002 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.014 12.872 -2.760 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.263 12.873 -2.821 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.884 16.178 -2.713 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.195 14.459 -2.370 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.902 15.595 -1.031 1.00 0.00 H new ATOM 399 N VAL A 31 -0.168 11.348 1.914 1.00 0.00 N ATOM 400 CA VAL A 31 -0.592 10.208 2.714 1.00 0.00 C ATOM 401 C VAL A 31 -2.052 10.381 3.126 1.00 0.00 C ATOM 402 O VAL A 31 -2.792 9.406 3.258 1.00 0.00 O ATOM 403 CB VAL A 31 0.315 9.976 3.947 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.421 11.218 4.802 1.00 0.00 C ATOM 405 CG2 VAL A 31 -0.185 8.804 4.776 1.00 0.00 C ATOM 0 H VAL A 31 0.458 11.999 2.388 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.497 9.315 2.096 1.00 0.00 H new ATOM 0 HB VAL A 31 1.312 9.739 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.065 11.017 5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.844 12.031 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.570 11.503 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.469 8.662 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.199 9.008 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.184 7.901 4.166 1.00 0.00 H new ATOM 415 N GLY A 32 -2.473 11.629 3.292 1.00 0.00 N ATOM 416 CA GLY A 32 -3.884 11.903 3.480 1.00 0.00 C ATOM 417 C GLY A 32 -4.678 11.604 2.221 1.00 0.00 C ATOM 418 O GLY A 32 -5.889 11.386 2.276 1.00 0.00 O ATOM 0 H GLY A 32 -1.868 12.450 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.266 11.302 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.020 12.948 3.758 1.00 0.00 H new ATOM 422 N LEU A 33 -3.994 11.605 1.082 1.00 0.00 N ATOM 423 CA LEU A 33 -4.610 11.273 -0.188 1.00 0.00 C ATOM 424 C LEU A 33 -4.541 9.762 -0.479 1.00 0.00 C ATOM 425 O LEU A 33 -5.427 9.217 -1.132 1.00 0.00 O ATOM 426 CB LEU A 33 -3.928 12.071 -1.301 1.00 0.00 C ATOM 427 CG LEU A 33 -4.381 11.733 -2.714 1.00 0.00 C ATOM 428 CD1 LEU A 33 -5.856 12.052 -2.905 1.00 0.00 C ATOM 429 CD2 LEU A 33 -3.534 12.471 -3.738 1.00 0.00 C ATOM 0 H LEU A 33 -3.002 11.835 1.018 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.666 11.539 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.104 13.132 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.852 11.911 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.247 10.662 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.154 11.801 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.449 11.469 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.024 13.115 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.873 12.216 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.631 13.546 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.490 12.181 -3.623 1.00 0.00 H new ATOM 441 N ILE A 34 -3.504 9.085 0.020 1.00 0.00 N ATOM 442 CA ILE A 34 -3.336 7.650 -0.235 1.00 0.00 C ATOM 443 C ILE A 34 -4.365 6.857 0.563 1.00 0.00 C ATOM 444 O ILE A 34 -4.752 5.748 0.189 1.00 0.00 O ATOM 445 CB ILE A 34 -1.901 7.145 0.091 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.697 5.726 -0.445 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.621 7.173 1.584 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.834 5.620 -1.945 1.00 0.00 C ATOM 0 H ILE A 34 -2.774 9.501 0.598 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.492 7.493 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.201 7.821 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.707 5.376 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.422 5.061 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.609 6.813 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.717 8.194 1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.335 6.532 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.677 4.586 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.833 5.939 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.091 6.258 -2.424 1.00 0.00 H new ATOM 460 N ILE A 35 -4.805 7.441 1.666 1.00 0.00 N ATOM 461 CA ILE A 35 -5.899 6.879 2.433 1.00 0.00 C ATOM 462 C ILE A 35 -7.234 7.260 1.806 1.00 0.00 C ATOM 463 O ILE A 35 -8.270 6.682 2.140 1.00 0.00 O ATOM 464 CB ILE A 35 -5.862 7.320 3.907 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.736 8.840 4.024 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.726 6.621 4.634 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.617 9.337 5.449 1.00 0.00 C ATOM 0 H ILE A 35 -4.419 8.304 2.048 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.785 5.795 2.413 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.802 7.032 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.862 9.167 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.606 9.304 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.710 6.941 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.874 5.542 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.778 6.878 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.532 10.424 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.502 9.042 6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.731 8.903 5.913 1.00 0.00 H new ATOM 479 N GLY A 36 -7.185 8.249 0.908 1.00 0.00 N ATOM 480 CA GLY A 36 -8.349 8.672 0.145 1.00 0.00 C ATOM 481 C GLY A 36 -9.495 9.134 1.012 1.00 0.00 C ATOM 482 O GLY A 36 -9.574 10.301 1.391 1.00 0.00 O ATOM 0 H GLY A 36 -6.337 8.774 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.061 9.481 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.686 7.845 -0.480 1.00 0.00 H new ATOM 486 N ARG A 37 -10.371 8.198 1.331 1.00 0.00 N ATOM 487 CA ARG A 37 -11.540 8.455 2.159 1.00 0.00 C ATOM 488 C ARG A 37 -11.160 8.702 3.617 1.00 0.00 C ATOM 489 O ARG A 37 -12.025 8.845 4.473 1.00 0.00 O ATOM 490 CB ARG A 37 -12.489 7.268 2.060 1.00 0.00 C ATOM 491 CG ARG A 37 -11.833 5.941 2.398 1.00 0.00 C ATOM 492 CD ARG A 37 -12.509 4.801 1.657 1.00 0.00 C ATOM 493 NE ARG A 37 -12.559 5.047 0.217 1.00 0.00 N ATOM 494 CZ ARG A 37 -13.286 4.330 -0.635 1.00 0.00 C ATOM 495 NH1 ARG A 37 -13.954 3.266 -0.208 1.00 0.00 N ATOM 496 NH2 ARG A 37 -13.333 4.667 -1.921 1.00 0.00 N ATOM 0 H ARG A 37 -10.292 7.229 1.021 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.028 9.359 1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.332 7.429 2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.892 7.218 1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.776 5.975 2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.889 5.766 3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.971 3.872 1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.521 4.668 2.039 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.002 5.815 -0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.910 2.997 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.511 2.717 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.811 5.477 -2.255 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.891 4.116 -2.573 1.00 0.00 H new ATOM 510 N GLY A 38 -9.867 8.726 3.896 1.00 0.00 N ATOM 511 CA GLY A 38 -9.409 9.065 5.225 1.00 0.00 C ATOM 512 C GLY A 38 -8.757 7.903 5.943 1.00 0.00 C ATOM 513 O GLY A 38 -8.322 8.046 7.084 1.00 0.00 O ATOM 0 H GLY A 38 -9.127 8.517 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.698 9.888 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.254 9.420 5.814 1.00 0.00 H new ATOM 517 N GLY A 39 -8.677 6.754 5.285 1.00 0.00 N ATOM 518 CA GLY A 39 -7.989 5.625 5.881 1.00 0.00 C ATOM 519 C GLY A 39 -8.332 4.301 5.234 1.00 0.00 C ATOM 520 O GLY A 39 -7.440 3.544 4.856 1.00 0.00 O ATOM 0 H GLY A 39 -9.071 6.584 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.913 5.787 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.236 5.577 6.942 1.00 0.00 H new ATOM 524 N GLU A 40 -9.628 4.033 5.091 1.00 0.00 N ATOM 525 CA GLU A 40 -10.117 2.741 4.604 1.00 0.00 C ATOM 526 C GLU A 40 -9.439 2.295 3.305 1.00 0.00 C ATOM 527 O GLU A 40 -9.185 1.107 3.119 1.00 0.00 O ATOM 528 CB GLU A 40 -11.632 2.787 4.384 1.00 0.00 C ATOM 529 CG GLU A 40 -12.199 1.488 3.829 1.00 0.00 C ATOM 530 CD GLU A 40 -13.627 1.627 3.346 1.00 0.00 C ATOM 531 OE1 GLU A 40 -14.554 1.405 4.147 1.00 0.00 O ATOM 532 OE2 GLU A 40 -13.826 1.934 2.151 1.00 0.00 O ATOM 0 H GLU A 40 -10.368 4.701 5.308 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.868 2.013 5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.123 3.015 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.868 3.601 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.573 1.148 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.155 0.719 4.601 1.00 0.00 H new ATOM 539 N GLN A 41 -9.137 3.242 2.419 1.00 0.00 N ATOM 540 CA GLN A 41 -8.665 2.900 1.080 1.00 0.00 C ATOM 541 C GLN A 41 -7.376 2.085 1.126 1.00 0.00 C ATOM 542 O GLN A 41 -7.320 0.994 0.564 1.00 0.00 O ATOM 543 CB GLN A 41 -8.441 4.148 0.234 1.00 0.00 C ATOM 544 CG GLN A 41 -8.265 3.834 -1.241 1.00 0.00 C ATOM 545 CD GLN A 41 -7.805 5.031 -2.036 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.611 5.801 -2.554 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.501 5.193 -2.131 1.00 0.00 N ATOM 0 H GLN A 41 -9.210 4.243 2.602 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.446 2.294 0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.288 4.823 0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.558 4.674 0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.541 3.027 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.210 3.473 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.870 4.527 -1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.122 5.984 -2.652 1.00 0.00 H new ATOM 556 N ILE A 42 -6.346 2.609 1.792 1.00 0.00 N ATOM 557 CA ILE A 42 -5.070 1.905 1.868 1.00 0.00 C ATOM 558 C ILE A 42 -5.254 0.535 2.499 1.00 0.00 C ATOM 559 O ILE A 42 -4.771 -0.454 1.963 1.00 0.00 O ATOM 560 CB ILE A 42 -3.984 2.694 2.641 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.710 1.854 2.783 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.483 3.143 4.007 1.00 0.00 C ATOM 563 CD1 ILE A 42 -1.984 1.631 1.474 1.00 0.00 C ATOM 0 H ILE A 42 -6.370 3.505 2.279 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.720 1.798 0.841 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.752 3.589 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.036 2.347 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.968 0.887 3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.694 3.693 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.353 3.788 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.760 2.270 4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.093 1.029 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.641 1.111 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.695 2.593 1.050 1.00 0.00 H new ATOM 575 N ASN A 43 -5.986 0.484 3.613 1.00 0.00 N ATOM 576 CA ASN A 43 -6.241 -0.771 4.314 1.00 0.00 C ATOM 577 C ASN A 43 -6.887 -1.768 3.370 1.00 0.00 C ATOM 578 O ASN A 43 -6.507 -2.933 3.327 1.00 0.00 O ATOM 579 CB ASN A 43 -7.153 -0.547 5.525 1.00 0.00 C ATOM 580 CG ASN A 43 -6.597 0.475 6.501 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.384 0.615 6.645 1.00 0.00 O ATOM 582 ND2 ASN A 43 -7.476 1.204 7.171 1.00 0.00 N ATOM 0 H ASN A 43 -6.413 1.301 4.049 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.287 -1.164 4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.133 -0.217 5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.300 -1.495 6.043 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.154 1.910 7.833 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.475 1.060 7.025 1.00 0.00 H new ATOM 589 N LYS A 44 -7.849 -1.286 2.598 1.00 0.00 N ATOM 590 CA LYS A 44 -8.554 -2.111 1.634 1.00 0.00 C ATOM 591 C LYS A 44 -7.602 -2.600 0.546 1.00 0.00 C ATOM 592 O LYS A 44 -7.631 -3.770 0.168 1.00 0.00 O ATOM 593 CB LYS A 44 -9.710 -1.318 1.019 1.00 0.00 C ATOM 594 CG LYS A 44 -10.583 -2.135 0.081 1.00 0.00 C ATOM 595 CD LYS A 44 -11.888 -1.420 -0.233 1.00 0.00 C ATOM 596 CE LYS A 44 -12.737 -1.227 1.018 1.00 0.00 C ATOM 597 NZ LYS A 44 -14.066 -0.638 0.706 1.00 0.00 N ATOM 0 H LYS A 44 -8.161 -0.315 2.623 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.958 -2.984 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.330 -0.917 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.304 -0.466 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.041 -2.329 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.797 -3.103 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.673 -0.450 -0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.450 -1.994 -0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.874 -2.188 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.209 -0.579 1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.138 0.305 1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.176 -0.556 -0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.815 -1.251 1.086 1.00 0.00 H new ATOM 611 N ILE A 45 -6.750 -1.702 0.066 1.00 0.00 N ATOM 612 CA ILE A 45 -5.793 -2.026 -0.987 1.00 0.00 C ATOM 613 C ILE A 45 -4.765 -3.052 -0.521 1.00 0.00 C ATOM 614 O ILE A 45 -4.535 -4.064 -1.187 1.00 0.00 O ATOM 615 CB ILE A 45 -5.060 -0.767 -1.487 1.00 0.00 C ATOM 616 CG1 ILE A 45 -6.052 0.183 -2.153 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.935 -1.136 -2.451 1.00 0.00 C ATOM 618 CD1 ILE A 45 -6.923 -0.477 -3.199 1.00 0.00 C ATOM 0 H ILE A 45 -6.702 -0.737 0.392 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.370 -2.454 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.612 -0.264 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.691 0.622 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.501 1.002 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.434 -0.229 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.217 -1.780 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.350 -1.663 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.601 0.262 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.294 -0.892 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.502 -1.277 -2.738 1.00 0.00 H new ATOM 630 N GLN A 46 -4.145 -2.791 0.622 1.00 0.00 N ATOM 631 CA GLN A 46 -3.104 -3.667 1.132 1.00 0.00 C ATOM 632 C GLN A 46 -3.692 -4.995 1.612 1.00 0.00 C ATOM 633 O GLN A 46 -3.026 -6.031 1.567 1.00 0.00 O ATOM 634 CB GLN A 46 -2.288 -2.968 2.230 1.00 0.00 C ATOM 635 CG GLN A 46 -3.107 -2.346 3.350 1.00 0.00 C ATOM 636 CD GLN A 46 -2.982 -3.075 4.672 1.00 0.00 C ATOM 637 OE1 GLN A 46 -2.840 -4.298 4.718 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.991 -2.316 5.759 1.00 0.00 N ATOM 0 H GLN A 46 -4.345 -1.982 1.210 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.418 -3.895 0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.599 -3.692 2.665 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.682 -2.188 1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.794 -1.311 3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.156 -2.326 3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.111 -1.307 5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.877 -2.741 6.679 1.00 0.00 H new ATOM 647 N GLN A 47 -4.952 -4.967 2.036 1.00 0.00 N ATOM 648 CA GLN A 47 -5.657 -6.186 2.425 1.00 0.00 C ATOM 649 C GLN A 47 -5.987 -7.004 1.178 1.00 0.00 C ATOM 650 O GLN A 47 -5.785 -8.220 1.148 1.00 0.00 O ATOM 651 CB GLN A 47 -6.938 -5.830 3.201 1.00 0.00 C ATOM 652 CG GLN A 47 -7.598 -7.001 3.918 1.00 0.00 C ATOM 653 CD GLN A 47 -8.428 -7.880 3.001 1.00 0.00 C ATOM 654 OE1 GLN A 47 -9.027 -7.404 2.034 1.00 0.00 O ATOM 655 NE2 GLN A 47 -8.460 -9.170 3.292 1.00 0.00 N ATOM 0 H GLN A 47 -5.506 -4.115 2.119 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.020 -6.783 3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.699 -5.061 3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.657 -5.395 2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.827 -7.609 4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.235 -6.617 4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.950 -9.523 4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.995 -9.812 2.707 1.00 0.00 H new ATOM 664 N ASP A 48 -6.479 -6.319 0.150 1.00 0.00 N ATOM 665 CA ASP A 48 -6.832 -6.953 -1.120 1.00 0.00 C ATOM 666 C ASP A 48 -5.617 -7.584 -1.783 1.00 0.00 C ATOM 667 O ASP A 48 -5.647 -8.748 -2.183 1.00 0.00 O ATOM 668 CB ASP A 48 -7.451 -5.923 -2.071 1.00 0.00 C ATOM 669 CG ASP A 48 -7.699 -6.481 -3.461 1.00 0.00 C ATOM 670 OD1 ASP A 48 -8.740 -7.137 -3.663 1.00 0.00 O ATOM 671 OD2 ASP A 48 -6.859 -6.252 -4.358 1.00 0.00 O ATOM 0 H ASP A 48 -6.644 -5.313 0.171 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.556 -7.739 -0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.393 -5.569 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.790 -5.059 -2.144 1.00 0.00 H new ATOM 676 N SER A 49 -4.550 -6.808 -1.889 1.00 0.00 N ATOM 677 CA SER A 49 -3.337 -7.261 -2.546 1.00 0.00 C ATOM 678 C SER A 49 -2.658 -8.369 -1.752 1.00 0.00 C ATOM 679 O SER A 49 -2.250 -9.388 -2.310 1.00 0.00 O ATOM 680 CB SER A 49 -2.376 -6.086 -2.734 1.00 0.00 C ATOM 681 OG SER A 49 -2.181 -5.388 -1.514 1.00 0.00 O ATOM 0 H SER A 49 -4.501 -5.856 -1.526 1.00 0.00 H new ATOM 0 HA SER A 49 -3.610 -7.665 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.418 -6.451 -3.105 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.772 -5.405 -3.487 1.00 0.00 H new ATOM 0 HG SER A 49 -2.929 -4.772 -1.366 1.00 0.00 H new ATOM 687 N GLY A 50 -2.557 -8.170 -0.445 1.00 0.00 N ATOM 688 CA GLY A 50 -1.869 -9.125 0.397 1.00 0.00 C ATOM 689 C GLY A 50 -0.527 -8.601 0.854 1.00 0.00 C ATOM 690 O GLY A 50 0.300 -9.345 1.380 1.00 0.00 O ATOM 0 H GLY A 50 -2.940 -7.363 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.485 -9.354 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.729 -10.058 -0.150 1.00 0.00 H new ATOM 694 N CYS A 51 -0.296 -7.322 0.622 1.00 0.00 N ATOM 695 CA CYS A 51 0.935 -6.686 1.040 1.00 0.00 C ATOM 696 C CYS A 51 0.750 -6.034 2.396 1.00 0.00 C ATOM 697 O CYS A 51 -0.276 -5.416 2.668 1.00 0.00 O ATOM 698 CB CYS A 51 1.371 -5.652 0.007 1.00 0.00 C ATOM 699 SG CYS A 51 2.913 -4.797 0.407 1.00 0.00 S ATOM 0 H CYS A 51 -0.950 -6.702 0.144 1.00 0.00 H new ATOM 0 HA CYS A 51 1.714 -7.444 1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.484 -6.146 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.578 -4.912 -0.105 1.00 0.00 H new ATOM 0 HG CYS A 51 3.193 -3.945 -0.534 1.00 0.00 H new ATOM 705 N LYS A 52 1.751 -6.177 3.238 1.00 0.00 N ATOM 706 CA LYS A 52 1.720 -5.605 4.566 1.00 0.00 C ATOM 707 C LYS A 52 2.210 -4.169 4.514 1.00 0.00 C ATOM 708 O LYS A 52 3.370 -3.878 4.801 1.00 0.00 O ATOM 709 CB LYS A 52 2.579 -6.453 5.498 1.00 0.00 C ATOM 710 CG LYS A 52 2.003 -7.840 5.727 1.00 0.00 C ATOM 711 CD LYS A 52 3.071 -8.832 6.155 1.00 0.00 C ATOM 712 CE LYS A 52 3.732 -9.484 4.948 1.00 0.00 C ATOM 713 NZ LYS A 52 2.835 -10.479 4.297 1.00 0.00 N ATOM 0 H LYS A 52 2.605 -6.691 3.022 1.00 0.00 H new ATOM 0 HA LYS A 52 0.700 -5.599 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.581 -6.545 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.680 -5.943 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.227 -7.790 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.527 -8.191 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.825 -8.322 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.626 -9.600 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.008 -8.716 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.654 -9.975 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.395 -11.099 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.365 -11.052 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.118 -9.982 3.731 1.00 0.00 H new ATOM 727 N VAL A 53 1.318 -3.286 4.104 1.00 0.00 N ATOM 728 CA VAL A 53 1.641 -1.880 3.939 1.00 0.00 C ATOM 729 C VAL A 53 1.401 -1.130 5.239 1.00 0.00 C ATOM 730 O VAL A 53 0.256 -0.911 5.639 1.00 0.00 O ATOM 731 CB VAL A 53 0.798 -1.254 2.806 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.193 0.189 2.557 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.933 -2.071 1.531 1.00 0.00 C ATOM 0 H VAL A 53 0.352 -3.522 3.877 1.00 0.00 H new ATOM 0 HA VAL A 53 2.695 -1.801 3.671 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.246 -1.264 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.581 0.600 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.038 0.771 3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.244 0.235 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.333 -1.617 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.978 -2.095 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.585 -3.088 1.712 1.00 0.00 H new ATOM 743 N GLN A 54 2.480 -0.748 5.900 1.00 0.00 N ATOM 744 CA GLN A 54 2.383 -0.102 7.194 1.00 0.00 C ATOM 745 C GLN A 54 2.513 1.408 7.049 1.00 0.00 C ATOM 746 O GLN A 54 3.551 1.913 6.613 1.00 0.00 O ATOM 747 CB GLN A 54 3.465 -0.639 8.135 1.00 0.00 C ATOM 748 CG GLN A 54 3.155 -0.418 9.607 1.00 0.00 C ATOM 749 CD GLN A 54 1.804 -0.981 9.999 1.00 0.00 C ATOM 750 OE1 GLN A 54 1.687 -2.148 10.371 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.777 -0.149 9.931 1.00 0.00 N ATOM 0 H GLN A 54 3.433 -0.875 5.560 1.00 0.00 H new ATOM 0 HA GLN A 54 1.404 -0.325 7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.594 -1.706 7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.414 -0.159 7.896 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.931 -0.885 10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.179 0.650 9.825 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.918 0.811 9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.156 -0.468 10.193 1.00 0.00 H new ATOM 760 N ILE A 55 1.451 2.123 7.395 1.00 0.00 N ATOM 761 CA ILE A 55 1.467 3.577 7.344 1.00 0.00 C ATOM 762 C ILE A 55 2.093 4.141 8.620 1.00 0.00 C ATOM 763 O ILE A 55 1.397 4.386 9.605 1.00 0.00 O ATOM 764 CB ILE A 55 0.040 4.159 7.169 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.652 3.555 5.944 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.092 5.673 7.042 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.059 3.829 4.638 1.00 0.00 C ATOM 0 H ILE A 55 0.570 1.720 7.713 1.00 0.00 H new ATOM 0 HA ILE A 55 2.063 3.869 6.479 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.538 3.899 8.056 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.735 2.477 6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.667 3.948 5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.919 6.063 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.539 6.098 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.693 5.945 6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.494 3.368 3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.119 4.905 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.065 3.411 4.677 1.00 0.00 H new ATOM 779 N SER A 56 3.407 4.330 8.605 1.00 0.00 N ATOM 780 CA SER A 56 4.117 4.837 9.772 1.00 0.00 C ATOM 781 C SER A 56 4.091 6.359 9.809 1.00 0.00 C ATOM 782 O SER A 56 4.649 7.030 8.933 1.00 0.00 O ATOM 783 CB SER A 56 5.563 4.332 9.781 1.00 0.00 C ATOM 784 OG SER A 56 5.607 2.913 9.750 1.00 0.00 O ATOM 0 H SER A 56 4.002 4.140 7.798 1.00 0.00 H new ATOM 0 HA SER A 56 3.609 4.465 10.662 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.098 4.735 8.921 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.073 4.696 10.673 1.00 0.00 H new ATOM 0 HG SER A 56 6.540 2.614 9.755 1.00 0.00 H new ATOM 790 N PRO A 57 3.419 6.915 10.832 1.00 0.00 N ATOM 791 CA PRO A 57 3.300 8.358 11.024 1.00 0.00 C ATOM 792 C PRO A 57 4.629 8.978 11.421 1.00 0.00 C ATOM 793 O PRO A 57 4.958 10.093 11.019 1.00 0.00 O ATOM 794 CB PRO A 57 2.278 8.498 12.162 1.00 0.00 C ATOM 795 CG PRO A 57 1.685 7.143 12.348 1.00 0.00 C ATOM 796 CD PRO A 57 2.725 6.170 11.890 1.00 0.00 C ATOM 0 HA PRO A 57 2.995 8.870 10.111 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.758 8.843 13.078 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.510 9.229 11.909 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.424 6.972 13.392 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.768 7.036 11.768 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.401 5.889 12.698 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.280 5.249 11.512 1.00 0.00 H new ATOM 804 N ASP A 58 5.388 8.243 12.221 1.00 0.00 N ATOM 805 CA ASP A 58 6.734 8.652 12.579 1.00 0.00 C ATOM 806 C ASP A 58 7.679 8.277 11.452 1.00 0.00 C ATOM 807 O ASP A 58 8.233 7.176 11.417 1.00 0.00 O ATOM 808 CB ASP A 58 7.171 8.005 13.894 1.00 0.00 C ATOM 809 CG ASP A 58 6.375 8.518 15.077 1.00 0.00 C ATOM 810 OD1 ASP A 58 5.295 7.957 15.362 1.00 0.00 O ATOM 811 OD2 ASP A 58 6.816 9.493 15.718 1.00 0.00 O ATOM 0 H ASP A 58 5.092 7.359 12.634 1.00 0.00 H new ATOM 0 HA ASP A 58 6.755 9.732 12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.054 6.924 13.821 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.231 8.201 14.059 1.00 0.00 H new ATOM 816 N SER A 59 7.833 9.198 10.522 1.00 0.00 N ATOM 817 CA SER A 59 8.569 8.955 9.298 1.00 0.00 C ATOM 818 C SER A 59 10.074 8.873 9.538 1.00 0.00 C ATOM 819 O SER A 59 10.810 8.342 8.710 1.00 0.00 O ATOM 820 CB SER A 59 8.241 10.059 8.304 1.00 0.00 C ATOM 821 OG SER A 59 6.851 10.320 8.312 1.00 0.00 O ATOM 0 H SER A 59 7.449 10.140 10.595 1.00 0.00 H new ATOM 0 HA SER A 59 8.267 7.988 8.896 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.791 10.965 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.558 9.765 7.304 1.00 0.00 H new ATOM 0 HG SER A 59 6.695 11.270 8.127 1.00 0.00 H new ATOM 827 N GLY A 60 10.519 9.407 10.666 1.00 0.00 N ATOM 828 CA GLY A 60 11.921 9.326 11.023 1.00 0.00 C ATOM 829 C GLY A 60 12.781 10.255 10.190 1.00 0.00 C ATOM 830 O GLY A 60 12.842 11.458 10.453 1.00 0.00 O ATOM 0 H GLY A 60 9.933 9.896 11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.040 9.573 12.078 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.268 8.301 10.895 1.00 0.00 H new ATOM 834 N GLY A 61 13.430 9.698 9.178 1.00 0.00 N ATOM 835 CA GLY A 61 14.294 10.479 8.318 1.00 0.00 C ATOM 836 C GLY A 61 13.514 11.352 7.364 1.00 0.00 C ATOM 837 O GLY A 61 13.997 12.398 6.931 1.00 0.00 O ATOM 0 H GLY A 61 13.372 8.709 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.944 11.104 8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.939 9.809 7.750 1.00 0.00 H new ATOM 841 N LEU A 62 12.301 10.928 7.037 1.00 0.00 N ATOM 842 CA LEU A 62 11.455 11.691 6.135 1.00 0.00 C ATOM 843 C LEU A 62 10.655 12.719 6.921 1.00 0.00 C ATOM 844 O LEU A 62 10.178 12.434 8.020 1.00 0.00 O ATOM 845 CB LEU A 62 10.493 10.780 5.355 1.00 0.00 C ATOM 846 CG LEU A 62 11.137 9.698 4.478 1.00 0.00 C ATOM 847 CD1 LEU A 62 12.429 10.197 3.853 1.00 0.00 C ATOM 848 CD2 LEU A 62 11.377 8.421 5.270 1.00 0.00 C ATOM 0 H LEU A 62 11.884 10.064 7.382 1.00 0.00 H new ATOM 0 HA LEU A 62 12.103 12.194 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.831 10.291 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.868 11.408 4.719 1.00 0.00 H new ATOM 0 HG LEU A 62 10.440 9.468 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.863 9.409 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.220 11.069 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.132 10.471 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.834 7.672 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.042 8.632 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.427 8.043 5.648 1.00 0.00 H new ATOM 860 N PRO A 63 10.503 13.930 6.373 1.00 0.00 N ATOM 861 CA PRO A 63 9.703 14.985 6.994 1.00 0.00 C ATOM 862 C PRO A 63 8.230 14.854 6.629 1.00 0.00 C ATOM 863 O PRO A 63 7.400 15.669 7.023 1.00 0.00 O ATOM 864 CB PRO A 63 10.283 16.243 6.365 1.00 0.00 C ATOM 865 CG PRO A 63 10.620 15.813 4.980 1.00 0.00 C ATOM 866 CD PRO A 63 11.112 14.390 5.105 1.00 0.00 C ATOM 0 HA PRO A 63 9.742 14.965 8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.564 17.062 6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.164 16.592 6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.748 15.870 4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.386 16.456 4.545 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.794 13.779 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.200 14.342 5.141 1.00 0.00 H new ATOM 874 N GLU A 64 7.929 13.832 5.849 1.00 0.00 N ATOM 875 CA GLU A 64 6.583 13.606 5.364 1.00 0.00 C ATOM 876 C GLU A 64 5.952 12.395 6.056 1.00 0.00 C ATOM 877 O GLU A 64 5.661 12.446 7.251 1.00 0.00 O ATOM 878 CB GLU A 64 6.619 13.457 3.837 1.00 0.00 C ATOM 879 CG GLU A 64 7.785 12.614 3.326 1.00 0.00 C ATOM 880 CD GLU A 64 8.400 13.168 2.055 1.00 0.00 C ATOM 881 OE1 GLU A 64 7.768 13.088 0.984 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.526 13.698 2.128 1.00 0.00 O ATOM 0 H GLU A 64 8.609 13.139 5.536 1.00 0.00 H new ATOM 0 HA GLU A 64 5.952 14.461 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.684 13.007 3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.674 14.448 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.551 12.556 4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.439 11.597 3.143 1.00 0.00 H new ATOM 889 N ARG A 65 5.751 11.314 5.322 1.00 0.00 N ATOM 890 CA ARG A 65 5.272 10.068 5.898 1.00 0.00 C ATOM 891 C ARG A 65 6.115 8.917 5.362 1.00 0.00 C ATOM 892 O ARG A 65 6.617 8.995 4.240 1.00 0.00 O ATOM 893 CB ARG A 65 3.799 9.846 5.548 1.00 0.00 C ATOM 894 CG ARG A 65 3.142 8.749 6.362 1.00 0.00 C ATOM 895 CD ARG A 65 2.924 9.193 7.796 1.00 0.00 C ATOM 896 NE ARG A 65 1.759 10.069 7.934 1.00 0.00 N ATOM 897 CZ ARG A 65 1.829 11.371 8.218 1.00 0.00 C ATOM 898 NH1 ARG A 65 3.003 11.938 8.466 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.718 12.099 8.268 1.00 0.00 N ATOM 0 H ARG A 65 5.914 11.274 4.316 1.00 0.00 H new ATOM 0 HA ARG A 65 5.361 10.116 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.253 10.777 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.719 9.599 4.489 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.187 8.480 5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.766 7.855 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.794 8.316 8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.813 9.715 8.152 1.00 0.00 H new ATOM 0 HE ARG A 65 0.835 9.658 7.805 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.855 11.378 8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.053 12.933 8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.186 11.662 8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.770 13.094 8.485 1.00 0.00 H new ATOM 913 N SER A 66 6.289 7.861 6.146 1.00 0.00 N ATOM 914 CA SER A 66 7.062 6.725 5.677 1.00 0.00 C ATOM 915 C SER A 66 6.202 5.469 5.663 1.00 0.00 C ATOM 916 O SER A 66 5.780 4.961 6.703 1.00 0.00 O ATOM 917 CB SER A 66 8.329 6.534 6.523 1.00 0.00 C ATOM 918 OG SER A 66 8.021 6.288 7.887 1.00 0.00 O ATOM 0 H SER A 66 5.913 7.769 7.090 1.00 0.00 H new ATOM 0 HA SER A 66 7.384 6.923 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.909 5.701 6.126 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.955 7.423 6.446 1.00 0.00 H new ATOM 0 HG SER A 66 8.833 6.013 8.361 1.00 0.00 H new ATOM 924 N VAL A 67 5.914 4.995 4.467 1.00 0.00 N ATOM 925 CA VAL A 67 5.087 3.821 4.294 1.00 0.00 C ATOM 926 C VAL A 67 5.943 2.640 3.874 1.00 0.00 C ATOM 927 O VAL A 67 6.784 2.764 2.983 1.00 0.00 O ATOM 928 CB VAL A 67 3.991 4.074 3.242 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.186 2.815 2.983 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.083 5.209 3.685 1.00 0.00 C ATOM 0 H VAL A 67 6.244 5.410 3.596 1.00 0.00 H new ATOM 0 HA VAL A 67 4.606 3.597 5.246 1.00 0.00 H new ATOM 0 HB VAL A 67 4.475 4.361 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.419 3.021 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.847 2.029 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.713 2.489 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.314 5.375 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.612 4.949 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.671 6.118 3.810 1.00 0.00 H new ATOM 940 N SER A 68 5.751 1.506 4.523 1.00 0.00 N ATOM 941 CA SER A 68 6.514 0.324 4.190 1.00 0.00 C ATOM 942 C SER A 68 5.724 -0.614 3.298 1.00 0.00 C ATOM 943 O SER A 68 4.567 -0.937 3.572 1.00 0.00 O ATOM 944 CB SER A 68 6.950 -0.415 5.444 1.00 0.00 C ATOM 945 OG SER A 68 5.954 -0.341 6.448 1.00 0.00 O ATOM 0 H SER A 68 5.077 1.382 5.278 1.00 0.00 H new ATOM 0 HA SER A 68 7.398 0.658 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.152 -1.459 5.204 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.881 0.012 5.817 1.00 0.00 H new ATOM 0 HG SER A 68 6.373 -0.419 7.331 1.00 0.00 H new ATOM 951 N LEU A 69 6.357 -1.024 2.221 1.00 0.00 N ATOM 952 CA LEU A 69 5.769 -1.950 1.282 1.00 0.00 C ATOM 953 C LEU A 69 6.482 -3.296 1.352 1.00 0.00 C ATOM 954 O LEU A 69 7.621 -3.419 0.902 1.00 0.00 O ATOM 955 CB LEU A 69 5.892 -1.394 -0.135 1.00 0.00 C ATOM 956 CG LEU A 69 5.057 -0.147 -0.479 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.576 -0.434 -0.323 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.453 1.059 0.360 1.00 0.00 C ATOM 0 H LEU A 69 7.299 -0.722 1.972 1.00 0.00 H new ATOM 0 HA LEU A 69 4.718 -2.085 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.941 -1.158 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.619 -2.186 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 69 5.263 0.098 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.004 0.460 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.290 -1.245 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.368 -0.724 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.837 1.914 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.304 0.833 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.502 1.296 0.184 1.00 0.00 H new ATOM 970 N THR A 70 5.842 -4.294 1.950 1.00 0.00 N ATOM 971 CA THR A 70 6.403 -5.641 1.985 1.00 0.00 C ATOM 972 C THR A 70 5.294 -6.694 2.043 1.00 0.00 C ATOM 973 O THR A 70 4.414 -6.628 2.896 1.00 0.00 O ATOM 974 CB THR A 70 7.347 -5.827 3.189 1.00 0.00 C ATOM 975 OG1 THR A 70 8.209 -4.691 3.316 1.00 0.00 O ATOM 976 CG2 THR A 70 8.195 -7.066 3.006 1.00 0.00 C ATOM 0 H THR A 70 4.939 -4.198 2.415 1.00 0.00 H new ATOM 0 HA THR A 70 6.976 -5.773 1.067 1.00 0.00 H new ATOM 0 HB THR A 70 6.739 -5.932 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.113 -4.991 3.548 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.857 -7.184 3.864 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.549 -7.940 2.923 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.791 -6.968 2.099 1.00 0.00 H new ATOM 984 N GLY A 71 5.337 -7.672 1.143 1.00 0.00 N ATOM 985 CA GLY A 71 4.305 -8.694 1.119 1.00 0.00 C ATOM 986 C GLY A 71 4.674 -9.886 0.257 1.00 0.00 C ATOM 987 O GLY A 71 5.372 -10.792 0.703 1.00 0.00 O ATOM 0 H GLY A 71 6.063 -7.775 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.114 -9.034 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.377 -8.258 0.749 1.00 0.00 H new ATOM 991 N ALA A 72 4.189 -9.886 -0.972 1.00 0.00 N ATOM 992 CA ALA A 72 4.468 -10.950 -1.922 1.00 0.00 C ATOM 993 C ALA A 72 4.707 -10.335 -3.298 1.00 0.00 C ATOM 994 O ALA A 72 4.356 -9.176 -3.501 1.00 0.00 O ATOM 995 CB ALA A 72 3.306 -11.941 -1.954 1.00 0.00 C ATOM 0 H ALA A 72 3.590 -9.148 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 72 5.362 -11.496 -1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.524 -12.735 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.169 -12.373 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.395 -11.424 -2.254 1.00 0.00 H new ATOM 1001 N PRO A 73 5.302 -11.076 -4.256 1.00 0.00 N ATOM 1002 CA PRO A 73 5.646 -10.528 -5.579 1.00 0.00 C ATOM 1003 C PRO A 73 4.479 -9.784 -6.228 1.00 0.00 C ATOM 1004 O PRO A 73 4.647 -8.693 -6.778 1.00 0.00 O ATOM 1005 CB PRO A 73 6.005 -11.770 -6.396 1.00 0.00 C ATOM 1006 CG PRO A 73 6.480 -12.758 -5.389 1.00 0.00 C ATOM 1007 CD PRO A 73 5.682 -12.499 -4.138 1.00 0.00 C ATOM 0 HA PRO A 73 6.449 -9.793 -5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.142 -12.147 -6.944 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.779 -11.551 -7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.329 -13.778 -5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.547 -12.640 -5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.806 -13.144 -4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.273 -12.683 -3.241 1.00 0.00 H new ATOM 1015 N GLU A 74 3.298 -10.375 -6.135 1.00 0.00 N ATOM 1016 CA GLU A 74 2.095 -9.797 -6.725 1.00 0.00 C ATOM 1017 C GLU A 74 1.528 -8.687 -5.847 1.00 0.00 C ATOM 1018 O GLU A 74 1.066 -7.659 -6.343 1.00 0.00 O ATOM 1019 CB GLU A 74 1.040 -10.891 -6.930 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.242 -10.405 -7.587 1.00 0.00 C ATOM 1021 CD GLU A 74 0.008 -9.720 -8.914 1.00 0.00 C ATOM 1022 OE1 GLU A 74 0.739 -10.286 -9.753 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -0.513 -8.603 -9.119 1.00 0.00 O ATOM 0 H GLU A 74 3.144 -11.261 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 74 2.363 -9.363 -7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.470 -11.685 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.796 -11.330 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.911 -11.252 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.751 -9.713 -6.915 1.00 0.00 H new ATOM 1030 N SER A 75 1.592 -8.882 -4.541 1.00 0.00 N ATOM 1031 CA SER A 75 0.924 -7.989 -3.614 1.00 0.00 C ATOM 1032 C SER A 75 1.709 -6.701 -3.452 1.00 0.00 C ATOM 1033 O SER A 75 1.141 -5.609 -3.429 1.00 0.00 O ATOM 1034 CB SER A 75 0.752 -8.681 -2.265 1.00 0.00 C ATOM 1035 OG SER A 75 1.922 -8.617 -1.477 1.00 0.00 O ATOM 0 H SER A 75 2.099 -9.650 -4.101 1.00 0.00 H new ATOM 0 HA SER A 75 -0.059 -7.739 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.073 -8.218 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.482 -9.725 -2.426 1.00 0.00 H new ATOM 0 HG SER A 75 1.766 -9.071 -0.623 1.00 0.00 H new ATOM 1041 N VAL A 76 3.020 -6.846 -3.361 1.00 0.00 N ATOM 1042 CA VAL A 76 3.904 -5.720 -3.150 1.00 0.00 C ATOM 1043 C VAL A 76 3.903 -4.810 -4.375 1.00 0.00 C ATOM 1044 O VAL A 76 4.179 -3.616 -4.275 1.00 0.00 O ATOM 1045 CB VAL A 76 5.341 -6.190 -2.815 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.189 -6.399 -4.065 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.999 -5.216 -1.857 1.00 0.00 C ATOM 0 H VAL A 76 3.497 -7.745 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 76 3.535 -5.153 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 76 5.266 -7.163 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.187 -6.728 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.725 -7.157 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.261 -5.462 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.009 -5.557 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.044 -4.228 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.417 -5.162 -0.937 1.00 0.00 H new ATOM 1057 N GLN A 77 3.559 -5.377 -5.528 1.00 0.00 N ATOM 1058 CA GLN A 77 3.460 -4.602 -6.754 1.00 0.00 C ATOM 1059 C GLN A 77 2.153 -3.816 -6.764 1.00 0.00 C ATOM 1060 O GLN A 77 2.141 -2.632 -7.074 1.00 0.00 O ATOM 1061 CB GLN A 77 3.549 -5.508 -7.987 1.00 0.00 C ATOM 1062 CG GLN A 77 3.619 -4.736 -9.296 1.00 0.00 C ATOM 1063 CD GLN A 77 4.855 -3.860 -9.391 1.00 0.00 C ATOM 1064 OE1 GLN A 77 4.852 -2.709 -8.956 1.00 0.00 O ATOM 1065 NE2 GLN A 77 5.911 -4.393 -9.976 1.00 0.00 N ATOM 0 H GLN A 77 3.345 -6.369 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 77 4.297 -3.905 -6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.431 -6.143 -7.900 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.682 -6.168 -8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.611 -5.439 -10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.729 -4.114 -9.395 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.872 -5.351 -10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.766 -3.847 -10.081 1.00 0.00 H new ATOM 1074 N LYS A 78 1.057 -4.482 -6.404 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.254 -3.836 -6.322 1.00 0.00 C ATOM 1076 C LYS A 78 -0.231 -2.703 -5.296 1.00 0.00 C ATOM 1077 O LYS A 78 -0.725 -1.597 -5.555 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.321 -4.869 -5.943 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.705 -4.282 -5.684 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.305 -3.644 -6.927 1.00 0.00 C ATOM 1081 CE LYS A 78 -3.548 -4.667 -8.025 1.00 0.00 C ATOM 1082 NZ LYS A 78 -4.453 -5.764 -7.585 1.00 0.00 N ATOM 0 H LYS A 78 1.050 -5.473 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.496 -3.413 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.396 -5.605 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.993 -5.401 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.369 -5.069 -5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.638 -3.536 -4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.246 -3.158 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.636 -2.867 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.980 -4.169 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.595 -5.090 -8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.779 -6.299 -8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.940 -6.400 -6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.274 -5.360 -7.090 1.00 0.00 H new ATOM 1096 N ALA A 79 0.346 -2.989 -4.136 1.00 0.00 N ATOM 1097 CA ALA A 79 0.507 -1.996 -3.090 1.00 0.00 C ATOM 1098 C ALA A 79 1.260 -0.783 -3.621 1.00 0.00 C ATOM 1099 O ALA A 79 0.816 0.357 -3.474 1.00 0.00 O ATOM 1100 CB ALA A 79 1.245 -2.602 -1.909 1.00 0.00 C ATOM 0 H ALA A 79 0.712 -3.911 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.479 -1.670 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.362 -1.850 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.676 -3.446 -1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.228 -2.946 -2.232 1.00 0.00 H new ATOM 1106 N LYS A 80 2.386 -1.042 -4.273 1.00 0.00 N ATOM 1107 CA LYS A 80 3.206 0.021 -4.828 1.00 0.00 C ATOM 1108 C LYS A 80 2.532 0.703 -6.016 1.00 0.00 C ATOM 1109 O LYS A 80 2.888 1.817 -6.360 1.00 0.00 O ATOM 1110 CB LYS A 80 4.590 -0.492 -5.222 1.00 0.00 C ATOM 1111 CG LYS A 80 5.477 -0.798 -4.027 1.00 0.00 C ATOM 1112 CD LYS A 80 6.934 -0.906 -4.431 1.00 0.00 C ATOM 1113 CE LYS A 80 7.210 -2.152 -5.251 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.614 -2.183 -5.738 1.00 0.00 N ATOM 0 H LYS A 80 2.751 -1.982 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 80 3.326 0.767 -4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.478 -1.394 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.081 0.252 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.363 -0.015 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.156 -1.731 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.216 -0.024 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.557 -0.916 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.014 -3.038 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.528 -2.188 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.990 -3.149 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.642 -1.887 -6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.194 -1.534 -5.168 1.00 0.00 H new ATOM 1128 N MET A 81 1.577 0.033 -6.651 1.00 0.00 N ATOM 1129 CA MET A 81 0.812 0.655 -7.731 1.00 0.00 C ATOM 1130 C MET A 81 0.068 1.877 -7.211 1.00 0.00 C ATOM 1131 O MET A 81 0.157 2.963 -7.785 1.00 0.00 O ATOM 1132 CB MET A 81 -0.177 -0.335 -8.356 1.00 0.00 C ATOM 1133 CG MET A 81 0.475 -1.370 -9.260 1.00 0.00 C ATOM 1134 SD MET A 81 1.299 -0.633 -10.687 1.00 0.00 S ATOM 1135 CE MET A 81 1.961 -2.094 -11.485 1.00 0.00 C ATOM 0 H MET A 81 1.314 -0.930 -6.442 1.00 0.00 H new ATOM 0 HA MET A 81 1.515 0.964 -8.505 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.713 -0.850 -7.559 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.917 0.221 -8.931 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.201 -1.944 -8.683 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.283 -2.072 -9.607 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.180 -1.871 -12.529 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.877 -2.401 -10.980 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.229 -2.900 -11.432 1.00 0.00 H new ATOM 1145 N MET A 82 -0.652 1.701 -6.105 1.00 0.00 N ATOM 1146 CA MET A 82 -1.369 2.818 -5.489 1.00 0.00 C ATOM 1147 C MET A 82 -0.398 3.860 -4.947 1.00 0.00 C ATOM 1148 O MET A 82 -0.628 5.062 -5.073 1.00 0.00 O ATOM 1149 CB MET A 82 -2.287 2.333 -4.362 1.00 0.00 C ATOM 1150 CG MET A 82 -3.599 1.714 -4.832 1.00 0.00 C ATOM 1151 SD MET A 82 -4.774 2.915 -5.509 1.00 0.00 S ATOM 1152 CE MET A 82 -4.051 3.289 -7.108 1.00 0.00 C ATOM 0 H MET A 82 -0.755 0.809 -5.621 1.00 0.00 H new ATOM 0 HA MET A 82 -1.981 3.277 -6.266 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.748 1.599 -3.763 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.512 3.175 -3.707 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.384 0.963 -5.592 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.066 1.196 -3.994 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.843 3.406 -7.847 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.478 4.214 -7.041 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.392 2.475 -7.409 1.00 0.00 H new ATOM 1162 N LEU A 83 0.694 3.391 -4.362 1.00 0.00 N ATOM 1163 CA LEU A 83 1.683 4.275 -3.761 1.00 0.00 C ATOM 1164 C LEU A 83 2.376 5.123 -4.816 1.00 0.00 C ATOM 1165 O LEU A 83 2.382 6.345 -4.721 1.00 0.00 O ATOM 1166 CB LEU A 83 2.721 3.472 -2.962 1.00 0.00 C ATOM 1167 CG LEU A 83 2.422 3.279 -1.467 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.434 4.616 -0.742 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.088 2.579 -1.257 1.00 0.00 C ATOM 0 H LEU A 83 0.919 2.399 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 83 1.156 4.941 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.822 2.489 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.687 3.969 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 83 3.206 2.646 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.220 4.459 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.415 5.079 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.675 5.270 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.905 2.457 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.290 3.178 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.112 1.600 -1.735 1.00 0.00 H new ATOM 1181 N ASP A 84 2.935 4.473 -5.826 1.00 0.00 N ATOM 1182 CA ASP A 84 3.664 5.167 -6.883 1.00 0.00 C ATOM 1183 C ASP A 84 2.761 6.175 -7.570 1.00 0.00 C ATOM 1184 O ASP A 84 3.219 7.215 -8.035 1.00 0.00 O ATOM 1185 CB ASP A 84 4.210 4.169 -7.909 1.00 0.00 C ATOM 1186 CG ASP A 84 5.244 4.780 -8.837 1.00 0.00 C ATOM 1187 OD1 ASP A 84 6.429 4.844 -8.453 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.883 5.178 -9.963 1.00 0.00 O ATOM 0 H ASP A 84 2.898 3.460 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 84 4.504 5.694 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.655 3.323 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.384 3.777 -8.502 1.00 0.00 H new ATOM 1193 N ASP A 85 1.471 5.871 -7.614 1.00 0.00 N ATOM 1194 CA ASP A 85 0.506 6.769 -8.225 1.00 0.00 C ATOM 1195 C ASP A 85 0.386 8.070 -7.437 1.00 0.00 C ATOM 1196 O ASP A 85 0.725 9.140 -7.942 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.860 6.089 -8.327 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.887 6.933 -9.070 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.533 7.799 -8.445 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.064 6.719 -10.292 1.00 0.00 O ATOM 0 H ASP A 85 1.072 5.012 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 85 0.860 7.011 -9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.747 5.132 -8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.230 5.875 -7.324 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.043 7.964 -6.185 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.292 9.138 -5.355 1.00 0.00 C ATOM 1207 C ILE A 86 1.012 9.857 -5.004 1.00 0.00 C ATOM 1208 O ILE A 86 1.080 11.094 -4.998 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.069 8.767 -4.061 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.560 8.557 -4.361 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.901 9.834 -2.991 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.866 7.294 -5.137 1.00 0.00 C ATOM 0 H ILE A 86 -0.226 7.075 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.912 9.818 -5.940 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.650 7.834 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.108 8.533 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.930 9.414 -4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.456 9.545 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.155 9.938 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.281 10.785 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.940 7.222 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.348 7.322 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.530 6.427 -4.568 1.00 0.00 H new ATOM 1224 N VAL A 87 2.055 9.087 -4.748 1.00 0.00 N ATOM 1225 CA VAL A 87 3.341 9.655 -4.395 1.00 0.00 C ATOM 1226 C VAL A 87 3.936 10.417 -5.570 1.00 0.00 C ATOM 1227 O VAL A 87 4.650 11.389 -5.375 1.00 0.00 O ATOM 1228 CB VAL A 87 4.322 8.574 -3.898 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.724 9.138 -3.708 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.815 7.990 -2.592 1.00 0.00 C ATOM 0 H VAL A 87 2.035 8.068 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 87 3.176 10.355 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 87 4.379 7.791 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.389 8.349 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.092 9.527 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.696 9.942 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.509 7.226 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.738 8.781 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.833 7.543 -2.750 1.00 0.00 H new ATOM 1240 N SER A 88 3.611 10.000 -6.789 1.00 0.00 N ATOM 1241 CA SER A 88 4.073 10.714 -7.971 1.00 0.00 C ATOM 1242 C SER A 88 3.231 11.967 -8.197 1.00 0.00 C ATOM 1243 O SER A 88 3.669 12.903 -8.864 1.00 0.00 O ATOM 1244 CB SER A 88 4.026 9.819 -9.212 1.00 0.00 C ATOM 1245 OG SER A 88 4.610 10.469 -10.328 1.00 0.00 O ATOM 0 H SER A 88 3.036 9.180 -6.982 1.00 0.00 H new ATOM 0 HA SER A 88 5.109 11.007 -7.802 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.554 8.886 -9.013 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.992 9.558 -9.438 1.00 0.00 H new ATOM 0 HG SER A 88 4.570 9.878 -11.109 1.00 0.00 H new ATOM 1251 N ARG A 89 2.014 11.974 -7.654 1.00 0.00 N ATOM 1252 CA ARG A 89 1.149 13.152 -7.732 1.00 0.00 C ATOM 1253 C ARG A 89 1.746 14.295 -6.916 1.00 0.00 C ATOM 1254 O ARG A 89 1.583 15.469 -7.255 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.260 12.836 -7.217 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.892 11.617 -7.870 1.00 0.00 C ATOM 1257 CD ARG A 89 -1.043 11.794 -9.372 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.112 12.726 -9.716 1.00 0.00 N ATOM 1259 CZ ARG A 89 -2.139 13.441 -10.839 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -1.097 13.439 -11.656 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -3.195 14.191 -11.117 1.00 0.00 N ATOM 0 H ARG A 89 1.606 11.182 -7.158 1.00 0.00 H new ATOM 0 HA ARG A 89 1.077 13.449 -8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.216 12.678 -6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.901 13.701 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.280 10.738 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.870 11.433 -7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.102 12.154 -9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.246 10.826 -9.831 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.883 12.836 -9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.270 12.888 -11.426 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.122 13.988 -12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.984 14.220 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.219 14.740 -11.976 1.00 0.00 H new ATOM 1275 N GLY A 90 2.430 13.941 -5.833 1.00 0.00 N ATOM 1276 CA GLY A 90 3.086 14.942 -5.008 1.00 0.00 C ATOM 1277 C GLY A 90 4.575 15.053 -5.291 1.00 0.00 C ATOM 1278 O GLY A 90 5.050 16.083 -5.770 1.00 0.00 O ATOM 0 H GLY A 90 2.542 12.980 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.615 15.911 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.938 14.694 -3.957 1.00 0.00 H new ATOM 1282 N ARG A 91 5.303 13.983 -5.010 1.00 0.00 N ATOM 1283 CA ARG A 91 6.751 13.950 -5.192 1.00 0.00 C ATOM 1284 C ARG A 91 7.113 13.516 -6.608 1.00 0.00 C ATOM 1285 O ARG A 91 6.327 12.862 -7.293 1.00 0.00 O ATOM 1286 CB ARG A 91 7.392 12.968 -4.201 1.00 0.00 C ATOM 1287 CG ARG A 91 7.358 13.408 -2.746 1.00 0.00 C ATOM 1288 CD ARG A 91 8.227 14.630 -2.512 1.00 0.00 C ATOM 1289 NE ARG A 91 8.564 14.809 -1.098 1.00 0.00 N ATOM 1290 CZ ARG A 91 9.313 15.812 -0.641 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.703 16.778 -1.461 1.00 0.00 N ATOM 1292 NH2 ARG A 91 9.667 15.856 0.637 1.00 0.00 N ATOM 0 H ARG A 91 4.910 13.113 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 91 7.128 14.957 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.885 12.007 -4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.430 12.808 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.331 13.630 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.699 12.591 -2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.145 14.537 -3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.708 15.517 -2.875 1.00 0.00 H new ATOM 0 HE ARG A 91 8.206 14.129 -0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.430 16.754 -2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.276 17.545 -1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.366 15.120 1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.240 16.626 0.981 1.00 0.00 H new