USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=21 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 -169:sc= -1.31 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.125 USER MOD Set 2.1: A 41 GLN : amide:sc= -0.0207 K(o=-0.28,f=-0.94) USER MOD Set 2.2: A 82 MET CE :methyl 157:sc= -0.261 (180deg=-1.04) USER MOD Single : A 7 SER OG : rot 25:sc= 0.264 USER MOD Single : A 8 GLN : amide:sc= -0.0844 K(o=-0.084,f=-0.65) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 133:sc= -0.803! USER MOD Single : A 20 MET CE :methyl -132:sc= -0.627 (180deg=-0.881) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0794 USER MOD Single : A 30 MET CE :methyl -111:sc= -1.15 (180deg=-4.53!) USER MOD Single : A 43 ASN : amide:sc= 0.75 K(o=0.75,f=-0.84) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 1.11 (180deg=1.11) USER MOD Single : A 46 GLN : amide:sc= -0.0217 K(o=-0.022,f=-4.7!) USER MOD Single : A 47 GLN : amide:sc= -0.143 K(o=-0.14,f=-3.6!) USER MOD Single : A 49 SER OG : rot -77:sc= 0.904 USER MOD Single : A 51 CYS SG : rot -20:sc= -2.79! USER MOD Single : A 52 LYS NZ :NH3+ 169:sc=-1.89e-05 (180deg=-0.0941) USER MOD Single : A 54 GLN : amide:sc= -0.905! X(o=-0.9!,f=-0.73) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -142:sc= 1.33 USER MOD Single : A 66 SER OG : rot 156:sc= -2.84! USER MOD Single : A 68 SER OG : rot -3:sc= 1.03 USER MOD Single : A 75 SER OG : rot 61:sc= 0.967 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0323 (180deg=-0.257) USER MOD Single : A 80 LYS NZ :NH3+ -126:sc= -0.07 (180deg=-0.786) USER MOD Single : A 81 MET CE :methyl 153:sc= 0 (180deg=-1.35) USER MOD Single : A 88 SER OG : rot 84:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.347 3.929 0.141 1.00 0.00 N ATOM 32 CA SER A 7 13.303 2.623 -0.510 1.00 0.00 C ATOM 33 C SER A 7 14.093 1.606 0.317 1.00 0.00 C ATOM 34 O SER A 7 14.165 1.736 1.538 1.00 0.00 O ATOM 35 CB SER A 7 13.874 2.730 -1.930 1.00 0.00 C ATOM 36 OG SER A 7 13.316 3.837 -2.621 1.00 0.00 O ATOM 0 HA SER A 7 12.269 2.285 -0.578 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.958 2.835 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.666 1.812 -2.479 1.00 0.00 H new ATOM 0 HG SER A 7 13.007 4.505 -1.974 1.00 0.00 H new ATOM 42 N GLN A 8 14.609 0.578 -0.356 1.00 0.00 N ATOM 43 CA GLN A 8 15.535 -0.401 0.230 1.00 0.00 C ATOM 44 C GLN A 8 15.731 -1.545 -0.752 1.00 0.00 C ATOM 45 O GLN A 8 16.797 -2.162 -0.812 1.00 0.00 O ATOM 46 CB GLN A 8 15.029 -0.966 1.564 1.00 0.00 C ATOM 47 CG GLN A 8 15.997 -1.935 2.230 1.00 0.00 C ATOM 48 CD GLN A 8 17.322 -1.286 2.590 1.00 0.00 C ATOM 49 OE1 GLN A 8 17.386 -0.097 2.906 1.00 0.00 O ATOM 50 NE2 GLN A 8 18.388 -2.067 2.550 1.00 0.00 N ATOM 0 H GLN A 8 14.395 0.396 -1.337 1.00 0.00 H new ATOM 0 HA GLN A 8 16.475 0.113 0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.831 -0.139 2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.080 -1.474 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.538 -2.338 3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.179 -2.777 1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.293 -3.047 2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.306 -1.690 2.786 1.00 0.00 H new ATOM 59 N LEU A 9 14.672 -1.812 -1.514 1.00 0.00 N ATOM 60 CA LEU A 9 14.664 -2.844 -2.544 1.00 0.00 C ATOM 61 C LEU A 9 14.762 -4.231 -1.917 1.00 0.00 C ATOM 62 O LEU A 9 13.750 -4.814 -1.542 1.00 0.00 O ATOM 63 CB LEU A 9 15.784 -2.639 -3.584 1.00 0.00 C ATOM 64 CG LEU A 9 15.636 -1.424 -4.517 1.00 0.00 C ATOM 65 CD1 LEU A 9 14.226 -1.343 -5.078 1.00 0.00 C ATOM 66 CD2 LEU A 9 16.007 -0.129 -3.809 1.00 0.00 C ATOM 0 H LEU A 9 13.787 -1.312 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 9 13.714 -2.762 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 9 16.731 -2.549 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 9 15.848 -3.537 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 9 16.330 -1.560 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.145 -0.477 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.007 -2.249 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.514 -1.245 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.891 0.708 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.354 0.015 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.043 -0.182 -3.473 1.00 0.00 H new ATOM 78 N GLY A 10 15.976 -4.725 -1.750 1.00 0.00 N ATOM 79 CA GLY A 10 16.165 -6.079 -1.266 1.00 0.00 C ATOM 80 C GLY A 10 17.413 -6.719 -1.835 1.00 0.00 C ATOM 81 O GLY A 10 17.384 -7.256 -2.940 1.00 0.00 O ATOM 0 H GLY A 10 16.838 -4.214 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.227 -6.069 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.296 -6.682 -1.530 1.00 0.00 H new ATOM 85 N PRO A 11 18.539 -6.657 -1.108 1.00 0.00 N ATOM 86 CA PRO A 11 19.791 -7.299 -1.525 1.00 0.00 C ATOM 87 C PRO A 11 19.715 -8.820 -1.412 1.00 0.00 C ATOM 88 O PRO A 11 20.566 -9.541 -1.933 1.00 0.00 O ATOM 89 CB PRO A 11 20.838 -6.741 -0.550 1.00 0.00 C ATOM 90 CG PRO A 11 20.164 -5.614 0.165 1.00 0.00 C ATOM 91 CD PRO A 11 18.699 -5.936 0.161 1.00 0.00 C ATOM 0 HA PRO A 11 20.024 -7.094 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 11 21.168 -7.508 0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.723 -6.393 -1.083 1.00 0.00 H new ATOM 0 HG2 PRO A 11 20.539 -5.519 1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 11 20.356 -4.665 -0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 11 18.416 -6.550 1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 11 18.085 -5.036 0.197 1.00 0.00 H new ATOM 99 N ILE A 12 18.686 -9.296 -0.728 1.00 0.00 N ATOM 100 CA ILE A 12 18.478 -10.722 -0.542 1.00 0.00 C ATOM 101 C ILE A 12 17.437 -11.238 -1.529 1.00 0.00 C ATOM 102 O ILE A 12 16.699 -10.458 -2.131 1.00 0.00 O ATOM 103 CB ILE A 12 18.046 -11.076 0.905 1.00 0.00 C ATOM 104 CG1 ILE A 12 16.700 -10.429 1.281 1.00 0.00 C ATOM 105 CG2 ILE A 12 19.132 -10.673 1.894 1.00 0.00 C ATOM 106 CD1 ILE A 12 16.761 -8.935 1.537 1.00 0.00 C ATOM 0 H ILE A 12 17.977 -8.709 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 12 19.436 -11.208 -0.726 1.00 0.00 H new ATOM 0 HB ILE A 12 17.907 -12.156 0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.986 -10.617 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 12 16.313 -10.921 2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 12 18.815 -10.927 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 12 20.054 -11.204 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 12 19.305 -9.599 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.767 -8.569 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 12 17.446 -8.735 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.114 -8.426 0.640 1.00 0.00 H new ATOM 118 N HIS A 13 17.426 -12.552 -1.725 1.00 0.00 N ATOM 119 CA HIS A 13 16.540 -13.188 -2.700 1.00 0.00 C ATOM 120 C HIS A 13 15.188 -13.660 -2.123 1.00 0.00 C ATOM 121 O HIS A 13 14.196 -13.593 -2.844 1.00 0.00 O ATOM 122 CB HIS A 13 17.252 -14.368 -3.373 1.00 0.00 C ATOM 123 CG HIS A 13 16.438 -15.044 -4.435 1.00 0.00 C ATOM 124 ND1 HIS A 13 16.029 -16.358 -4.350 1.00 0.00 N ATOM 125 CD2 HIS A 13 15.963 -14.580 -5.616 1.00 0.00 C ATOM 126 CE1 HIS A 13 15.339 -16.673 -5.432 1.00 0.00 C ATOM 127 NE2 HIS A 13 15.283 -15.611 -6.214 1.00 0.00 N ATOM 0 H HIS A 13 18.025 -13.204 -1.218 1.00 0.00 H new ATOM 0 HA HIS A 13 16.305 -12.412 -3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.184 -14.014 -3.814 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.518 -15.101 -2.612 1.00 0.00 H new ATOM 0 HD2 HIS A 13 16.095 -13.584 -6.013 1.00 0.00 H new ATOM 0 HE1 HIS A 13 14.896 -17.636 -5.641 1.00 0.00 H new ATOM 0 HE2 HIS A 13 14.811 -15.564 -7.117 1.00 0.00 H new ATOM 136 N PRO A 14 15.131 -14.202 -0.866 1.00 0.00 N ATOM 137 CA PRO A 14 13.894 -14.708 -0.245 1.00 0.00 C ATOM 138 C PRO A 14 12.627 -13.956 -0.657 1.00 0.00 C ATOM 139 O PRO A 14 12.658 -12.744 -0.841 1.00 0.00 O ATOM 140 CB PRO A 14 14.151 -14.489 1.246 1.00 0.00 C ATOM 141 CG PRO A 14 15.634 -14.455 1.418 1.00 0.00 C ATOM 142 CD PRO A 14 16.263 -14.416 0.045 1.00 0.00 C ATOM 0 HA PRO A 14 13.705 -15.739 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.699 -13.557 1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.710 -15.291 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.930 -13.581 1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.974 -15.332 1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.995 -13.612 -0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.785 -15.346 -0.180 1.00 0.00 H new ATOM 150 N PRO A 15 11.490 -14.679 -0.783 1.00 0.00 N ATOM 151 CA PRO A 15 10.204 -14.098 -1.190 1.00 0.00 C ATOM 152 C PRO A 15 9.954 -12.736 -0.546 1.00 0.00 C ATOM 153 O PRO A 15 10.287 -12.543 0.620 1.00 0.00 O ATOM 154 CB PRO A 15 9.198 -15.129 -0.696 1.00 0.00 C ATOM 155 CG PRO A 15 9.921 -16.426 -0.809 1.00 0.00 C ATOM 156 CD PRO A 15 11.371 -16.127 -0.520 1.00 0.00 C ATOM 0 HA PRO A 15 10.150 -13.909 -2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.895 -14.930 0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.292 -15.124 -1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.526 -17.155 -0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.803 -16.852 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.632 -16.369 0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.035 -16.706 -1.162 1.00 0.00 H new ATOM 164 N PRO A 16 9.373 -11.794 -1.326 1.00 0.00 N ATOM 165 CA PRO A 16 9.247 -10.350 -0.993 1.00 0.00 C ATOM 166 C PRO A 16 8.637 -10.003 0.373 1.00 0.00 C ATOM 167 O PRO A 16 7.628 -9.301 0.454 1.00 0.00 O ATOM 168 CB PRO A 16 8.347 -9.797 -2.104 1.00 0.00 C ATOM 169 CG PRO A 16 7.806 -10.978 -2.822 1.00 0.00 C ATOM 170 CD PRO A 16 8.809 -12.070 -2.651 1.00 0.00 C ATOM 0 HA PRO A 16 10.248 -9.923 -0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.542 -9.191 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.912 -9.155 -2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.839 -11.271 -2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.652 -10.754 -3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.345 -13.055 -2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.572 -12.042 -3.429 1.00 0.00 H new ATOM 178 N ARG A 17 9.282 -10.456 1.428 1.00 0.00 N ATOM 179 CA ARG A 17 8.965 -10.047 2.786 1.00 0.00 C ATOM 180 C ARG A 17 10.156 -9.283 3.348 1.00 0.00 C ATOM 181 O ARG A 17 10.274 -9.060 4.551 1.00 0.00 O ATOM 182 CB ARG A 17 8.640 -11.268 3.649 1.00 0.00 C ATOM 183 CG ARG A 17 9.755 -12.304 3.690 1.00 0.00 C ATOM 184 CD ARG A 17 9.274 -13.606 4.304 1.00 0.00 C ATOM 185 NE ARG A 17 8.157 -14.181 3.553 1.00 0.00 N ATOM 186 CZ ARG A 17 7.026 -14.611 4.114 1.00 0.00 C ATOM 187 NH1 ARG A 17 6.872 -14.558 5.430 1.00 0.00 N ATOM 188 NH2 ARG A 17 6.054 -15.108 3.359 1.00 0.00 N ATOM 0 H ARG A 17 10.049 -11.125 1.369 1.00 0.00 H new ATOM 0 HA ARG A 17 8.086 -9.403 2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.426 -10.937 4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.733 -11.739 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.120 -12.489 2.680 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.595 -11.916 4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.097 -14.320 4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.967 -13.430 5.335 1.00 0.00 H new ATOM 0 HE ARG A 17 8.249 -14.257 2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.620 -14.188 6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.006 -14.888 5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.171 -15.162 2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.190 -15.436 3.791 1.00 0.00 H new ATOM 202 N THR A 18 11.034 -8.891 2.432 1.00 0.00 N ATOM 203 CA THR A 18 12.239 -8.144 2.755 1.00 0.00 C ATOM 204 C THR A 18 13.007 -7.832 1.469 1.00 0.00 C ATOM 205 O THR A 18 13.744 -6.853 1.393 1.00 0.00 O ATOM 206 CB THR A 18 13.150 -8.911 3.750 1.00 0.00 C ATOM 207 OG1 THR A 18 14.307 -8.129 4.066 1.00 0.00 O ATOM 208 CG2 THR A 18 13.575 -10.260 3.186 1.00 0.00 C ATOM 0 H THR A 18 10.927 -9.085 1.436 1.00 0.00 H new ATOM 0 HA THR A 18 11.939 -7.216 3.241 1.00 0.00 H new ATOM 0 HB THR A 18 12.575 -9.089 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.873 -8.622 4.696 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.212 -10.772 3.907 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.691 -10.866 2.988 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.126 -10.109 2.258 1.00 0.00 H new ATOM 216 N SER A 19 12.800 -8.661 0.446 1.00 0.00 N ATOM 217 CA SER A 19 13.448 -8.476 -0.849 1.00 0.00 C ATOM 218 C SER A 19 12.656 -7.532 -1.736 1.00 0.00 C ATOM 219 O SER A 19 12.934 -7.402 -2.928 1.00 0.00 O ATOM 220 CB SER A 19 13.627 -9.826 -1.529 1.00 0.00 C ATOM 221 OG SER A 19 14.219 -10.750 -0.634 1.00 0.00 O ATOM 0 H SER A 19 12.184 -9.472 0.492 1.00 0.00 H new ATOM 0 HA SER A 19 14.426 -8.024 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.661 -10.203 -1.866 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.252 -9.715 -2.415 1.00 0.00 H new ATOM 0 HG SER A 19 13.723 -11.595 -0.660 1.00 0.00 H new ATOM 227 N MET A 20 11.673 -6.873 -1.144 1.00 0.00 N ATOM 228 CA MET A 20 10.889 -5.867 -1.841 1.00 0.00 C ATOM 229 C MET A 20 10.468 -4.792 -0.866 1.00 0.00 C ATOM 230 O MET A 20 9.403 -4.193 -1.007 1.00 0.00 O ATOM 231 CB MET A 20 9.660 -6.484 -2.497 1.00 0.00 C ATOM 232 CG MET A 20 9.988 -7.407 -3.653 1.00 0.00 C ATOM 233 SD MET A 20 10.619 -6.533 -5.102 1.00 0.00 S ATOM 234 CE MET A 20 9.200 -5.537 -5.556 1.00 0.00 C ATOM 0 H MET A 20 11.397 -7.019 -0.173 1.00 0.00 H new ATOM 0 HA MET A 20 11.506 -5.431 -2.626 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.099 -7.041 -1.746 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.010 -5.685 -2.854 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.727 -8.139 -3.327 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.092 -7.962 -3.932 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.014 -5.635 -6.625 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.325 -5.877 -5.002 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.397 -4.492 -5.317 1.00 0.00 H new ATOM 244 N THR A 21 11.304 -4.561 0.131 1.00 0.00 N ATOM 245 CA THR A 21 11.008 -3.564 1.132 1.00 0.00 C ATOM 246 C THR A 21 11.344 -2.189 0.591 1.00 0.00 C ATOM 247 O THR A 21 12.494 -1.890 0.285 1.00 0.00 O ATOM 248 CB THR A 21 11.782 -3.815 2.441 1.00 0.00 C ATOM 249 OG1 THR A 21 11.444 -5.112 2.960 1.00 0.00 O ATOM 250 CG2 THR A 21 11.455 -2.749 3.482 1.00 0.00 C ATOM 0 H THR A 21 12.189 -5.051 0.265 1.00 0.00 H new ATOM 0 HA THR A 21 9.944 -3.626 1.362 1.00 0.00 H new ATOM 0 HB THR A 21 12.849 -3.769 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.796 -5.202 3.870 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.014 -2.949 4.396 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.730 -1.767 3.096 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.387 -2.768 3.699 1.00 0.00 H new ATOM 258 N GLU A 22 10.332 -1.368 0.446 1.00 0.00 N ATOM 259 CA GLU A 22 10.522 -0.029 -0.054 1.00 0.00 C ATOM 260 C GLU A 22 9.963 0.957 0.948 1.00 0.00 C ATOM 261 O GLU A 22 8.778 0.917 1.266 1.00 0.00 O ATOM 262 CB GLU A 22 9.832 0.105 -1.414 1.00 0.00 C ATOM 263 CG GLU A 22 10.085 1.422 -2.122 1.00 0.00 C ATOM 264 CD GLU A 22 10.057 1.261 -3.626 1.00 0.00 C ATOM 265 OE1 GLU A 22 11.107 0.907 -4.199 1.00 0.00 O ATOM 266 OE2 GLU A 22 8.993 1.465 -4.239 1.00 0.00 O ATOM 0 H GLU A 22 9.365 -1.605 0.668 1.00 0.00 H new ATOM 0 HA GLU A 22 11.583 0.182 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.166 -0.709 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.758 -0.018 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.331 2.149 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.053 1.820 -1.816 1.00 0.00 H new ATOM 273 N GLU A 23 10.820 1.811 1.485 1.00 0.00 N ATOM 274 CA GLU A 23 10.357 2.842 2.390 1.00 0.00 C ATOM 275 C GLU A 23 9.993 4.077 1.579 1.00 0.00 C ATOM 276 O GLU A 23 10.862 4.755 1.025 1.00 0.00 O ATOM 277 CB GLU A 23 11.425 3.168 3.436 1.00 0.00 C ATOM 278 CG GLU A 23 10.886 3.916 4.643 1.00 0.00 C ATOM 279 CD GLU A 23 9.946 3.069 5.483 1.00 0.00 C ATOM 280 OE1 GLU A 23 10.429 2.372 6.401 1.00 0.00 O ATOM 281 OE2 GLU A 23 8.725 3.095 5.230 1.00 0.00 O ATOM 0 H GLU A 23 11.825 1.809 1.311 1.00 0.00 H new ATOM 0 HA GLU A 23 9.476 2.488 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.888 2.240 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.208 3.765 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.720 4.249 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.361 4.810 4.307 1.00 0.00 H new ATOM 288 N TYR A 24 8.708 4.350 1.498 1.00 0.00 N ATOM 289 CA TYR A 24 8.201 5.361 0.592 1.00 0.00 C ATOM 290 C TYR A 24 8.097 6.725 1.260 1.00 0.00 C ATOM 291 O TYR A 24 7.507 6.863 2.331 1.00 0.00 O ATOM 292 CB TYR A 24 6.832 4.937 0.070 1.00 0.00 C ATOM 293 CG TYR A 24 6.778 4.795 -1.430 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.643 5.906 -2.241 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.862 3.548 -2.034 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.593 5.786 -3.614 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.813 3.418 -3.408 1.00 0.00 C ATOM 298 CZ TYR A 24 6.677 4.540 -4.192 1.00 0.00 C ATOM 299 OH TYR A 24 6.631 4.416 -5.562 1.00 0.00 O ATOM 0 H TYR A 24 7.990 3.883 2.052 1.00 0.00 H new ATOM 0 HA TYR A 24 8.906 5.452 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.556 3.987 0.527 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.089 5.670 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.575 6.886 -1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.967 2.666 -1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.488 6.665 -4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.881 2.441 -3.864 1.00 0.00 H new ATOM 0 HH TYR A 24 6.704 3.470 -5.807 1.00 0.00 H new ATOM 309 N ARG A 25 8.678 7.729 0.611 1.00 0.00 N ATOM 310 CA ARG A 25 8.574 9.107 1.069 1.00 0.00 C ATOM 311 C ARG A 25 7.330 9.747 0.475 1.00 0.00 C ATOM 312 O ARG A 25 7.310 10.126 -0.699 1.00 0.00 O ATOM 313 CB ARG A 25 9.819 9.907 0.674 1.00 0.00 C ATOM 314 CG ARG A 25 11.093 9.399 1.322 1.00 0.00 C ATOM 315 CD ARG A 25 12.287 10.277 0.980 1.00 0.00 C ATOM 316 NE ARG A 25 12.611 10.246 -0.447 1.00 0.00 N ATOM 317 CZ ARG A 25 13.603 10.947 -0.995 1.00 0.00 C ATOM 318 NH1 ARG A 25 14.359 11.732 -0.240 1.00 0.00 N ATOM 319 NH2 ARG A 25 13.848 10.855 -2.295 1.00 0.00 N ATOM 0 H ARG A 25 9.229 7.611 -0.239 1.00 0.00 H new ATOM 0 HA ARG A 25 8.500 9.111 2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.934 9.875 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.672 10.952 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.963 9.367 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.286 8.378 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.078 11.304 1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.153 9.948 1.554 1.00 0.00 H new ATOM 0 HE ARG A 25 12.046 9.655 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.182 11.800 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.118 12.268 -0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.276 10.246 -2.880 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.608 11.393 -2.710 1.00 0.00 H new ATOM 333 N VAL A 26 6.292 9.843 1.283 1.00 0.00 N ATOM 334 CA VAL A 26 5.010 10.356 0.833 1.00 0.00 C ATOM 335 C VAL A 26 4.601 11.589 1.633 1.00 0.00 C ATOM 336 O VAL A 26 4.466 11.535 2.856 1.00 0.00 O ATOM 337 CB VAL A 26 3.920 9.259 0.920 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.093 8.429 2.174 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.528 9.863 0.888 1.00 0.00 C ATOM 0 H VAL A 26 6.312 9.569 2.265 1.00 0.00 H new ATOM 0 HA VAL A 26 5.114 10.653 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 26 4.035 8.613 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.317 7.665 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.073 7.951 2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.014 9.073 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.785 9.068 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.406 10.541 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.392 10.414 -0.042 1.00 0.00 H new ATOM 349 N PRO A 27 4.413 12.720 0.927 1.00 0.00 N ATOM 350 CA PRO A 27 4.047 14.013 1.530 1.00 0.00 C ATOM 351 C PRO A 27 2.856 13.892 2.474 1.00 0.00 C ATOM 352 O PRO A 27 1.940 13.109 2.249 1.00 0.00 O ATOM 353 CB PRO A 27 3.686 14.863 0.311 1.00 0.00 C ATOM 354 CG PRO A 27 4.514 14.301 -0.783 1.00 0.00 C ATOM 355 CD PRO A 27 4.546 12.821 -0.534 1.00 0.00 C ATOM 0 HA PRO A 27 4.847 14.431 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.623 14.797 0.080 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.910 15.916 0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.083 14.527 -1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.519 14.724 -0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.733 12.309 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.476 12.374 -0.885 1.00 0.00 H new ATOM 363 N ASP A 28 2.889 14.703 3.530 1.00 0.00 N ATOM 364 CA ASP A 28 1.971 14.573 4.663 1.00 0.00 C ATOM 365 C ASP A 28 0.501 14.733 4.252 1.00 0.00 C ATOM 366 O ASP A 28 -0.379 14.042 4.776 1.00 0.00 O ATOM 367 CB ASP A 28 2.342 15.589 5.752 1.00 0.00 C ATOM 368 CG ASP A 28 1.858 16.997 5.445 1.00 0.00 C ATOM 369 OD1 ASP A 28 2.554 17.729 4.713 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.774 17.378 5.938 1.00 0.00 O ATOM 0 H ASP A 28 3.554 15.471 3.625 1.00 0.00 H new ATOM 0 HA ASP A 28 2.076 13.562 5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.918 15.265 6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.425 15.602 5.874 1.00 0.00 H new ATOM 375 N GLY A 29 0.231 15.625 3.314 1.00 0.00 N ATOM 376 CA GLY A 29 -1.124 15.776 2.819 1.00 0.00 C ATOM 377 C GLY A 29 -1.434 14.728 1.778 1.00 0.00 C ATOM 378 O GLY A 29 -2.583 14.323 1.592 1.00 0.00 O ATOM 0 H GLY A 29 0.919 16.245 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.829 15.694 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.251 16.770 2.390 1.00 0.00 H new ATOM 382 N MET A 30 -0.382 14.249 1.138 1.00 0.00 N ATOM 383 CA MET A 30 -0.509 13.288 0.065 1.00 0.00 C ATOM 384 C MET A 30 -0.726 11.888 0.634 1.00 0.00 C ATOM 385 O MET A 30 -1.324 11.034 -0.011 1.00 0.00 O ATOM 386 CB MET A 30 0.734 13.339 -0.823 1.00 0.00 C ATOM 387 CG MET A 30 0.594 12.566 -2.120 1.00 0.00 C ATOM 388 SD MET A 30 -0.848 13.064 -3.087 1.00 0.00 S ATOM 389 CE MET A 30 -0.557 14.821 -3.279 1.00 0.00 C ATOM 0 H MET A 30 0.580 14.516 1.349 1.00 0.00 H new ATOM 0 HA MET A 30 -1.377 13.538 -0.545 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.961 14.380 -1.054 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.583 12.944 -0.266 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.493 12.708 -2.720 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.524 11.501 -1.896 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.295 15.377 -2.701 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.443 15.065 -2.922 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.642 15.091 -4.332 1.00 0.00 H new ATOM 399 N VAL A 31 -0.239 11.657 1.850 1.00 0.00 N ATOM 400 CA VAL A 31 -0.555 10.429 2.563 1.00 0.00 C ATOM 401 C VAL A 31 -1.979 10.512 3.102 1.00 0.00 C ATOM 402 O VAL A 31 -2.677 9.505 3.210 1.00 0.00 O ATOM 403 CB VAL A 31 0.451 10.114 3.700 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.550 11.258 4.687 1.00 0.00 C ATOM 405 CG2 VAL A 31 0.073 8.831 4.419 1.00 0.00 C ATOM 0 H VAL A 31 0.370 12.299 2.356 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.475 9.604 1.855 1.00 0.00 H new ATOM 0 HB VAL A 31 1.430 9.980 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.264 11.002 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.885 12.157 4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.428 11.439 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.794 8.632 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.922 8.936 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.075 8.003 3.711 1.00 0.00 H new ATOM 415 N GLY A 32 -2.421 11.727 3.410 1.00 0.00 N ATOM 416 CA GLY A 32 -3.834 11.933 3.664 1.00 0.00 C ATOM 417 C GLY A 32 -4.674 11.525 2.461 1.00 0.00 C ATOM 418 O GLY A 32 -5.828 11.122 2.604 1.00 0.00 O ATOM 0 H GLY A 32 -1.837 12.560 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.138 11.354 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.015 12.982 3.899 1.00 0.00 H new ATOM 422 N LEU A 33 -4.085 11.624 1.272 1.00 0.00 N ATOM 423 CA LEU A 33 -4.754 11.204 0.047 1.00 0.00 C ATOM 424 C LEU A 33 -4.515 9.723 -0.280 1.00 0.00 C ATOM 425 O LEU A 33 -5.324 9.112 -0.978 1.00 0.00 O ATOM 426 CB LEU A 33 -4.309 12.067 -1.134 1.00 0.00 C ATOM 427 CG LEU A 33 -4.707 13.542 -1.052 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.239 14.289 -2.291 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.213 13.679 -0.881 1.00 0.00 C ATOM 0 H LEU A 33 -3.144 11.992 1.132 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.822 11.336 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.224 12.005 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.726 11.645 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.221 13.983 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.530 15.337 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.154 14.219 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.696 13.848 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.478 14.735 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.719 13.223 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.522 13.178 0.036 1.00 0.00 H new ATOM 441 N ILE A 34 -3.421 9.136 0.212 1.00 0.00 N ATOM 442 CA ILE A 34 -3.127 7.728 -0.084 1.00 0.00 C ATOM 443 C ILE A 34 -4.113 6.826 0.652 1.00 0.00 C ATOM 444 O ILE A 34 -4.417 5.717 0.212 1.00 0.00 O ATOM 445 CB ILE A 34 -1.666 7.320 0.264 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.316 5.968 -0.363 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.457 7.239 1.763 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.453 5.937 -1.867 1.00 0.00 C ATOM 0 H ILE A 34 -2.735 9.601 0.806 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.237 7.603 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.012 8.091 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.291 5.709 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.961 5.201 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.426 6.952 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.661 8.211 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.133 6.496 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.188 4.946 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.483 6.163 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.787 6.679 -2.308 1.00 0.00 H new ATOM 460 N ILE A 35 -4.619 7.317 1.774 1.00 0.00 N ATOM 461 CA ILE A 35 -5.677 6.631 2.493 1.00 0.00 C ATOM 462 C ILE A 35 -7.027 6.928 1.861 1.00 0.00 C ATOM 463 O ILE A 35 -8.020 6.257 2.155 1.00 0.00 O ATOM 464 CB ILE A 35 -5.703 7.007 3.983 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.517 8.515 4.172 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.648 6.222 4.738 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.323 8.937 5.615 1.00 0.00 C ATOM 0 H ILE A 35 -4.312 8.189 2.205 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.471 5.563 2.425 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.680 6.746 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.654 8.840 3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.387 9.031 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.675 6.496 5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.846 5.155 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.663 6.450 4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.198 10.019 5.664 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.195 8.645 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.436 8.451 6.020 1.00 0.00 H new ATOM 479 N GLY A 36 -7.041 7.953 1.008 1.00 0.00 N ATOM 480 CA GLY A 36 -8.222 8.313 0.246 1.00 0.00 C ATOM 481 C GLY A 36 -9.395 8.696 1.115 1.00 0.00 C ATOM 482 O GLY A 36 -9.546 9.854 1.502 1.00 0.00 O ATOM 0 H GLY A 36 -6.234 8.551 0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.980 9.145 -0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.507 7.474 -0.389 1.00 0.00 H new ATOM 486 N ARG A 37 -10.204 7.702 1.442 1.00 0.00 N ATOM 487 CA ARG A 37 -11.408 7.885 2.240 1.00 0.00 C ATOM 488 C ARG A 37 -11.090 8.052 3.726 1.00 0.00 C ATOM 489 O ARG A 37 -11.897 7.701 4.587 1.00 0.00 O ATOM 490 CB ARG A 37 -12.338 6.689 2.038 1.00 0.00 C ATOM 491 CG ARG A 37 -11.632 5.343 2.163 1.00 0.00 C ATOM 492 CD ARG A 37 -12.626 4.189 2.129 1.00 0.00 C ATOM 493 NE ARG A 37 -13.361 4.141 0.868 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.558 3.573 0.718 1.00 0.00 C ATOM 495 NH1 ARG A 37 -15.159 2.980 1.741 1.00 0.00 N ATOM 496 NH2 ARG A 37 -15.156 3.589 -0.460 1.00 0.00 N ATOM 0 H ARG A 37 -10.043 6.735 1.159 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.897 8.800 1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.144 6.737 2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.798 6.759 1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.914 5.230 1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.067 5.312 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.095 3.248 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.329 4.291 2.956 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.931 4.570 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.705 2.955 2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.075 2.549 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.702 4.036 -1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.072 3.154 -0.573 1.00 0.00 H new ATOM 510 N GLY A 38 -9.911 8.574 4.025 1.00 0.00 N ATOM 511 CA GLY A 38 -9.550 8.852 5.398 1.00 0.00 C ATOM 512 C GLY A 38 -8.737 7.744 6.040 1.00 0.00 C ATOM 513 O GLY A 38 -8.200 7.924 7.134 1.00 0.00 O ATOM 0 H GLY A 38 -9.195 8.811 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.980 9.780 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.458 9.011 5.980 1.00 0.00 H new ATOM 517 N GLY A 39 -8.637 6.597 5.376 1.00 0.00 N ATOM 518 CA GLY A 39 -7.824 5.523 5.913 1.00 0.00 C ATOM 519 C GLY A 39 -8.074 4.177 5.258 1.00 0.00 C ATOM 520 O GLY A 39 -7.139 3.524 4.795 1.00 0.00 O ATOM 0 H GLY A 39 -9.097 6.394 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.772 5.783 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.014 5.437 6.983 1.00 0.00 H new ATOM 524 N GLU A 40 -9.337 3.777 5.200 1.00 0.00 N ATOM 525 CA GLU A 40 -9.709 2.425 4.780 1.00 0.00 C ATOM 526 C GLU A 40 -9.247 2.049 3.376 1.00 0.00 C ATOM 527 O GLU A 40 -9.129 0.869 3.085 1.00 0.00 O ATOM 528 CB GLU A 40 -11.221 2.229 4.868 1.00 0.00 C ATOM 529 CG GLU A 40 -11.681 1.614 6.175 1.00 0.00 C ATOM 530 CD GLU A 40 -11.026 0.273 6.445 1.00 0.00 C ATOM 531 OE1 GLU A 40 -9.937 0.247 7.058 1.00 0.00 O ATOM 532 OE2 GLU A 40 -11.596 -0.762 6.039 1.00 0.00 O ATOM 0 H GLU A 40 -10.130 4.372 5.440 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.188 1.765 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.712 3.194 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.545 1.593 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.455 2.297 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.764 1.489 6.153 1.00 0.00 H new ATOM 539 N GLN A 41 -8.984 3.021 2.507 1.00 0.00 N ATOM 540 CA GLN A 41 -8.692 2.703 1.109 1.00 0.00 C ATOM 541 C GLN A 41 -7.406 1.892 0.981 1.00 0.00 C ATOM 542 O GLN A 41 -7.407 0.815 0.385 1.00 0.00 O ATOM 543 CB GLN A 41 -8.602 3.967 0.260 1.00 0.00 C ATOM 544 CG GLN A 41 -9.324 3.848 -1.073 1.00 0.00 C ATOM 545 CD GLN A 41 -8.743 2.779 -1.978 1.00 0.00 C ATOM 546 OE1 GLN A 41 -9.181 1.629 -1.955 1.00 0.00 O ATOM 547 NE2 GLN A 41 -7.756 3.146 -2.779 1.00 0.00 N ATOM 0 H GLN A 41 -8.966 4.015 2.737 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.519 2.097 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.022 4.803 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.553 4.200 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.376 3.627 -0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.285 4.809 -1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.422 4.110 -2.768 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.330 2.465 -3.408 1.00 0.00 H new ATOM 556 N ILE A 42 -6.316 2.393 1.556 1.00 0.00 N ATOM 557 CA ILE A 42 -5.043 1.684 1.484 1.00 0.00 C ATOM 558 C ILE A 42 -5.164 0.305 2.121 1.00 0.00 C ATOM 559 O ILE A 42 -4.722 -0.684 1.543 1.00 0.00 O ATOM 560 CB ILE A 42 -3.883 2.479 2.140 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.573 1.687 2.082 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.209 2.860 3.574 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.062 1.461 0.676 1.00 0.00 C ATOM 0 H ILE A 42 -6.288 3.274 2.070 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.800 1.573 0.427 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.757 3.399 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.812 2.217 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.721 0.721 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.374 3.415 4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.105 3.481 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.382 1.957 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.132 0.894 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.804 0.903 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.881 2.423 0.196 1.00 0.00 H new ATOM 575 N ASN A 43 -5.809 0.239 3.287 1.00 0.00 N ATOM 576 CA ASN A 43 -6.004 -1.030 3.986 1.00 0.00 C ATOM 577 C ASN A 43 -6.787 -1.984 3.104 1.00 0.00 C ATOM 578 O ASN A 43 -6.463 -3.160 2.991 1.00 0.00 O ATOM 579 CB ASN A 43 -6.775 -0.839 5.298 1.00 0.00 C ATOM 580 CG ASN A 43 -6.250 0.291 6.162 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.059 0.617 6.146 1.00 0.00 O ATOM 582 ND2 ASN A 43 -7.144 0.900 6.925 1.00 0.00 N ATOM 0 H ASN A 43 -6.204 1.048 3.766 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.018 -1.435 4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.823 -0.650 5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.737 -1.767 5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.858 1.670 7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.118 0.599 6.908 1.00 0.00 H new ATOM 589 N LYS A 44 -7.812 -1.445 2.466 1.00 0.00 N ATOM 590 CA LYS A 44 -8.714 -2.220 1.638 1.00 0.00 C ATOM 591 C LYS A 44 -7.969 -2.822 0.453 1.00 0.00 C ATOM 592 O LYS A 44 -8.246 -3.946 0.049 1.00 0.00 O ATOM 593 CB LYS A 44 -9.867 -1.323 1.173 1.00 0.00 C ATOM 594 CG LYS A 44 -11.193 -2.050 1.031 1.00 0.00 C ATOM 595 CD LYS A 44 -12.362 -1.120 1.335 1.00 0.00 C ATOM 596 CE LYS A 44 -12.326 -0.637 2.775 1.00 0.00 C ATOM 597 NZ LYS A 44 -12.524 -1.744 3.748 1.00 0.00 N ATOM 0 H LYS A 44 -8.041 -0.452 2.510 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.124 -3.046 2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.987 -0.504 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.604 -0.877 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.290 -2.443 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.218 -2.904 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.332 -0.263 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.301 -1.640 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.369 -0.153 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.100 0.116 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.491 -1.365 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.448 -2.191 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.771 -2.451 3.627 1.00 0.00 H new ATOM 611 N ILE A 45 -7.002 -2.083 -0.077 1.00 0.00 N ATOM 612 CA ILE A 45 -6.213 -2.554 -1.210 1.00 0.00 C ATOM 613 C ILE A 45 -5.116 -3.519 -0.775 1.00 0.00 C ATOM 614 O ILE A 45 -4.983 -4.612 -1.328 1.00 0.00 O ATOM 615 CB ILE A 45 -5.584 -1.386 -1.986 1.00 0.00 C ATOM 616 CG1 ILE A 45 -6.684 -0.554 -2.642 1.00 0.00 C ATOM 617 CG2 ILE A 45 -4.591 -1.893 -3.028 1.00 0.00 C ATOM 618 CD1 ILE A 45 -7.661 -1.368 -3.459 1.00 0.00 C ATOM 0 H ILE A 45 -6.745 -1.155 0.259 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.905 -3.083 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.033 -0.756 -1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.232 -0.018 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.224 0.196 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.161 -1.046 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.797 -2.451 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.106 -2.544 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.412 -0.707 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.127 -1.884 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.150 -2.101 -2.817 1.00 0.00 H new ATOM 630 N GLN A 46 -4.332 -3.119 0.219 1.00 0.00 N ATOM 631 CA GLN A 46 -3.218 -3.938 0.678 1.00 0.00 C ATOM 632 C GLN A 46 -3.718 -5.268 1.242 1.00 0.00 C ATOM 633 O GLN A 46 -3.104 -6.307 1.029 1.00 0.00 O ATOM 634 CB GLN A 46 -2.362 -3.174 1.701 1.00 0.00 C ATOM 635 CG GLN A 46 -3.123 -2.660 2.913 1.00 0.00 C ATOM 636 CD GLN A 46 -2.945 -3.534 4.144 1.00 0.00 C ATOM 637 OE1 GLN A 46 -3.707 -4.470 4.381 1.00 0.00 O ATOM 638 NE2 GLN A 46 -1.946 -3.221 4.952 1.00 0.00 N ATOM 0 H GLN A 46 -4.446 -2.238 0.720 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.582 -4.163 -0.178 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.560 -3.828 2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.891 -2.328 1.200 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.789 -1.648 3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.184 -2.598 2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.333 -2.438 4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.789 -3.762 5.802 1.00 0.00 H new ATOM 647 N GLN A 47 -4.858 -5.238 1.920 1.00 0.00 N ATOM 648 CA GLN A 47 -5.438 -6.449 2.482 1.00 0.00 C ATOM 649 C GLN A 47 -6.042 -7.297 1.368 1.00 0.00 C ATOM 650 O GLN A 47 -5.954 -8.525 1.389 1.00 0.00 O ATOM 651 CB GLN A 47 -6.494 -6.088 3.536 1.00 0.00 C ATOM 652 CG GLN A 47 -6.989 -7.267 4.360 1.00 0.00 C ATOM 653 CD GLN A 47 -8.327 -7.809 3.890 1.00 0.00 C ATOM 654 OE1 GLN A 47 -8.678 -7.713 2.715 1.00 0.00 O ATOM 655 NE2 GLN A 47 -9.083 -8.380 4.810 1.00 0.00 N ATOM 0 H GLN A 47 -5.398 -4.390 2.093 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.657 -7.031 2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.076 -5.340 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.346 -5.627 3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.248 -8.065 4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.075 -6.962 5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.755 -8.440 5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.994 -8.761 4.556 1.00 0.00 H new ATOM 664 N ASP A 48 -6.642 -6.626 0.388 1.00 0.00 N ATOM 665 CA ASP A 48 -7.241 -7.303 -0.762 1.00 0.00 C ATOM 666 C ASP A 48 -6.183 -8.034 -1.582 1.00 0.00 C ATOM 667 O ASP A 48 -6.375 -9.186 -1.977 1.00 0.00 O ATOM 668 CB ASP A 48 -7.976 -6.291 -1.638 1.00 0.00 C ATOM 669 CG ASP A 48 -8.485 -6.891 -2.934 1.00 0.00 C ATOM 670 OD1 ASP A 48 -9.296 -7.840 -2.873 1.00 0.00 O ATOM 671 OD2 ASP A 48 -8.076 -6.414 -4.015 1.00 0.00 O ATOM 0 H ASP A 48 -6.727 -5.610 0.366 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.952 -8.041 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.816 -5.878 -1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.306 -5.462 -1.866 1.00 0.00 H new ATOM 676 N SER A 49 -5.070 -7.362 -1.828 1.00 0.00 N ATOM 677 CA SER A 49 -3.969 -7.958 -2.567 1.00 0.00 C ATOM 678 C SER A 49 -3.237 -8.990 -1.713 1.00 0.00 C ATOM 679 O SER A 49 -2.974 -10.107 -2.156 1.00 0.00 O ATOM 680 CB SER A 49 -3.004 -6.868 -3.035 1.00 0.00 C ATOM 681 OG SER A 49 -2.647 -6.006 -1.967 1.00 0.00 O ATOM 0 H SER A 49 -4.905 -6.402 -1.526 1.00 0.00 H new ATOM 0 HA SER A 49 -4.374 -8.470 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.107 -7.327 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.466 -6.289 -3.835 1.00 0.00 H new ATOM 0 HG SER A 49 -3.383 -5.384 -1.789 1.00 0.00 H new ATOM 687 N GLY A 50 -2.942 -8.615 -0.472 1.00 0.00 N ATOM 688 CA GLY A 50 -2.200 -9.483 0.420 1.00 0.00 C ATOM 689 C GLY A 50 -0.890 -8.857 0.853 1.00 0.00 C ATOM 690 O GLY A 50 -0.048 -9.504 1.477 1.00 0.00 O ATOM 0 H GLY A 50 -3.207 -7.717 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.805 -9.704 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.002 -10.432 -0.078 1.00 0.00 H new ATOM 694 N CYS A 51 -0.719 -7.589 0.510 1.00 0.00 N ATOM 695 CA CYS A 51 0.486 -6.850 0.842 1.00 0.00 C ATOM 696 C CYS A 51 0.396 -6.282 2.256 1.00 0.00 C ATOM 697 O CYS A 51 -0.649 -5.791 2.678 1.00 0.00 O ATOM 698 CB CYS A 51 0.691 -5.725 -0.169 1.00 0.00 C ATOM 699 SG CYS A 51 2.305 -4.921 -0.069 1.00 0.00 S ATOM 0 H CYS A 51 -1.411 -7.046 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 51 1.338 -7.528 0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.560 -6.127 -1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.086 -4.974 -0.022 1.00 0.00 H new ATOM 0 HG CYS A 51 2.831 -5.148 1.098 1.00 0.00 H new ATOM 705 N LYS A 52 1.502 -6.347 2.974 1.00 0.00 N ATOM 706 CA LYS A 52 1.570 -5.862 4.340 1.00 0.00 C ATOM 707 C LYS A 52 2.085 -4.428 4.352 1.00 0.00 C ATOM 708 O LYS A 52 3.222 -4.162 4.738 1.00 0.00 O ATOM 709 CB LYS A 52 2.497 -6.763 5.160 1.00 0.00 C ATOM 710 CG LYS A 52 2.235 -8.245 4.950 1.00 0.00 C ATOM 711 CD LYS A 52 0.824 -8.629 5.366 1.00 0.00 C ATOM 712 CE LYS A 52 0.454 -10.018 4.874 1.00 0.00 C ATOM 713 NZ LYS A 52 1.449 -11.043 5.290 1.00 0.00 N ATOM 0 H LYS A 52 2.378 -6.737 2.627 1.00 0.00 H new ATOM 0 HA LYS A 52 0.574 -5.882 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.532 -6.543 4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.380 -6.527 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.386 -8.497 3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.955 -8.827 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.742 -8.593 6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.116 -7.901 4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.528 -10.289 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.377 -10.008 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.070 -11.992 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.331 -10.908 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.643 -10.946 6.307 1.00 0.00 H new ATOM 727 N VAL A 53 1.243 -3.514 3.903 1.00 0.00 N ATOM 728 CA VAL A 53 1.607 -2.109 3.829 1.00 0.00 C ATOM 729 C VAL A 53 1.416 -1.446 5.179 1.00 0.00 C ATOM 730 O VAL A 53 0.318 -1.447 5.733 1.00 0.00 O ATOM 731 CB VAL A 53 0.767 -1.370 2.768 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.165 0.097 2.667 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.910 -2.049 1.422 1.00 0.00 C ATOM 0 H VAL A 53 0.297 -3.721 3.582 1.00 0.00 H new ATOM 0 HA VAL A 53 2.657 -2.052 3.540 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.277 -1.411 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.554 0.589 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.010 0.583 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.216 0.170 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.312 -1.518 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.957 -2.039 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.564 -3.080 1.496 1.00 0.00 H new ATOM 743 N GLN A 54 2.491 -0.897 5.714 1.00 0.00 N ATOM 744 CA GLN A 54 2.447 -0.266 7.016 1.00 0.00 C ATOM 745 C GLN A 54 2.764 1.211 6.915 1.00 0.00 C ATOM 746 O GLN A 54 3.837 1.604 6.452 1.00 0.00 O ATOM 747 CB GLN A 54 3.402 -0.970 7.977 1.00 0.00 C ATOM 748 CG GLN A 54 2.916 -2.355 8.357 1.00 0.00 C ATOM 749 CD GLN A 54 1.652 -2.303 9.193 1.00 0.00 C ATOM 750 OE1 GLN A 54 1.702 -2.375 10.421 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.517 -2.108 8.540 1.00 0.00 N ATOM 0 H GLN A 54 3.406 -0.876 5.264 1.00 0.00 H new ATOM 0 HA GLN A 54 1.435 -0.358 7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.387 -1.046 7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.517 -0.368 8.878 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.729 -2.935 7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.697 -2.874 8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.517 -2.054 7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.358 -2.012 9.055 1.00 0.00 H new ATOM 760 N ILE A 55 1.809 2.022 7.324 1.00 0.00 N ATOM 761 CA ILE A 55 1.969 3.457 7.293 1.00 0.00 C ATOM 762 C ILE A 55 2.679 3.919 8.564 1.00 0.00 C ATOM 763 O ILE A 55 2.104 3.860 9.652 1.00 0.00 O ATOM 764 CB ILE A 55 0.607 4.184 7.170 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.234 3.594 6.027 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.817 5.674 6.952 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.423 3.675 4.667 1.00 0.00 C ATOM 0 H ILE A 55 0.908 1.706 7.684 1.00 0.00 H new ATOM 0 HA ILE A 55 2.565 3.708 6.415 1.00 0.00 H new ATOM 0 HB ILE A 55 0.064 4.038 8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.450 2.550 6.252 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.190 4.116 5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.150 6.169 6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.366 6.091 7.796 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.386 5.831 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.236 3.237 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.614 4.719 4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.366 3.128 4.685 1.00 0.00 H new ATOM 779 N SER A 56 3.930 4.345 8.428 1.00 0.00 N ATOM 780 CA SER A 56 4.717 4.799 9.571 1.00 0.00 C ATOM 781 C SER A 56 4.553 6.305 9.774 1.00 0.00 C ATOM 782 O SER A 56 5.032 7.109 8.961 1.00 0.00 O ATOM 783 CB SER A 56 6.196 4.459 9.361 1.00 0.00 C ATOM 784 OG SER A 56 6.355 3.106 8.960 1.00 0.00 O ATOM 0 H SER A 56 4.423 4.386 7.536 1.00 0.00 H new ATOM 0 HA SER A 56 4.356 4.287 10.463 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.621 5.119 8.604 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.748 4.636 10.284 1.00 0.00 H new ATOM 0 HG SER A 56 7.307 2.913 8.830 1.00 0.00 H new ATOM 790 N PRO A 57 3.855 6.697 10.858 1.00 0.00 N ATOM 791 CA PRO A 57 3.648 8.104 11.207 1.00 0.00 C ATOM 792 C PRO A 57 4.957 8.803 11.555 1.00 0.00 C ATOM 793 O PRO A 57 5.261 9.868 11.018 1.00 0.00 O ATOM 794 CB PRO A 57 2.709 8.049 12.416 1.00 0.00 C ATOM 795 CG PRO A 57 2.884 6.686 12.984 1.00 0.00 C ATOM 796 CD PRO A 57 3.203 5.791 11.823 1.00 0.00 C ATOM 0 HA PRO A 57 3.236 8.677 10.377 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.963 8.816 13.147 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.675 8.222 12.119 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.687 6.671 13.721 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.978 6.356 13.493 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.863 4.974 12.115 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.303 5.340 11.405 1.00 0.00 H new ATOM 804 N ASP A 58 5.731 8.207 12.450 1.00 0.00 N ATOM 805 CA ASP A 58 7.054 8.722 12.760 1.00 0.00 C ATOM 806 C ASP A 58 8.039 8.215 11.728 1.00 0.00 C ATOM 807 O ASP A 58 8.570 7.110 11.841 1.00 0.00 O ATOM 808 CB ASP A 58 7.501 8.329 14.168 1.00 0.00 C ATOM 809 CG ASP A 58 6.953 9.263 15.227 1.00 0.00 C ATOM 810 OD1 ASP A 58 5.731 9.235 15.476 1.00 0.00 O ATOM 811 OD2 ASP A 58 7.741 10.034 15.814 1.00 0.00 O ATOM 0 H ASP A 58 5.467 7.371 12.971 1.00 0.00 H new ATOM 0 HA ASP A 58 7.017 9.811 12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.174 7.311 14.380 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.590 8.330 14.214 1.00 0.00 H new ATOM 816 N SER A 59 8.254 9.023 10.710 1.00 0.00 N ATOM 817 CA SER A 59 9.095 8.648 9.593 1.00 0.00 C ATOM 818 C SER A 59 10.571 8.692 9.971 1.00 0.00 C ATOM 819 O SER A 59 11.382 7.955 9.415 1.00 0.00 O ATOM 820 CB SER A 59 8.806 9.575 8.424 1.00 0.00 C ATOM 821 OG SER A 59 8.549 10.889 8.888 1.00 0.00 O ATOM 0 H SER A 59 7.851 9.957 10.634 1.00 0.00 H new ATOM 0 HA SER A 59 8.869 7.621 9.307 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.654 9.583 7.740 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.948 9.206 7.863 1.00 0.00 H new ATOM 0 HG SER A 59 7.834 11.291 8.352 1.00 0.00 H new ATOM 827 N GLY A 60 10.912 9.573 10.903 1.00 0.00 N ATOM 828 CA GLY A 60 12.257 9.610 11.436 1.00 0.00 C ATOM 829 C GLY A 60 13.224 10.352 10.534 1.00 0.00 C ATOM 830 O GLY A 60 13.447 11.553 10.698 1.00 0.00 O ATOM 0 H GLY A 60 10.276 10.265 11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.242 10.087 12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.613 8.590 11.583 1.00 0.00 H new ATOM 834 N GLY A 61 13.794 9.633 9.576 1.00 0.00 N ATOM 835 CA GLY A 61 14.728 10.230 8.637 1.00 0.00 C ATOM 836 C GLY A 61 14.035 11.064 7.582 1.00 0.00 C ATOM 837 O GLY A 61 14.673 11.814 6.845 1.00 0.00 O ATOM 0 H GLY A 61 13.625 8.638 9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.437 10.854 9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.304 9.442 8.152 1.00 0.00 H new ATOM 841 N LEU A 62 12.724 10.928 7.515 1.00 0.00 N ATOM 842 CA LEU A 62 11.933 11.536 6.458 1.00 0.00 C ATOM 843 C LEU A 62 11.093 12.671 7.041 1.00 0.00 C ATOM 844 O LEU A 62 10.649 12.587 8.185 1.00 0.00 O ATOM 845 CB LEU A 62 11.024 10.471 5.816 1.00 0.00 C ATOM 846 CG LEU A 62 11.707 9.423 4.907 1.00 0.00 C ATOM 847 CD1 LEU A 62 12.876 8.726 5.593 1.00 0.00 C ATOM 848 CD2 LEU A 62 10.698 8.381 4.475 1.00 0.00 C ATOM 0 H LEU A 62 12.177 10.394 8.190 1.00 0.00 H new ATOM 0 HA LEU A 62 12.593 11.942 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.506 9.941 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.263 10.984 5.229 1.00 0.00 H new ATOM 0 HG LEU A 62 12.099 9.960 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.319 8.001 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.626 9.465 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.520 8.213 6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.186 7.646 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.290 7.883 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.890 8.863 3.924 1.00 0.00 H new ATOM 860 N PRO A 63 10.886 13.762 6.281 1.00 0.00 N ATOM 861 CA PRO A 63 10.108 14.910 6.750 1.00 0.00 C ATOM 862 C PRO A 63 8.609 14.664 6.641 1.00 0.00 C ATOM 863 O PRO A 63 7.832 15.066 7.509 1.00 0.00 O ATOM 864 CB PRO A 63 10.538 16.018 5.794 1.00 0.00 C ATOM 865 CG PRO A 63 10.787 15.304 4.519 1.00 0.00 C ATOM 866 CD PRO A 63 11.399 13.979 4.910 1.00 0.00 C ATOM 0 HA PRO A 63 10.284 15.136 7.802 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.762 16.776 5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.433 16.528 6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.861 15.159 3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.459 15.872 3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.094 13.180 4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.488 14.016 4.889 1.00 0.00 H new ATOM 874 N GLU A 64 8.219 13.989 5.571 1.00 0.00 N ATOM 875 CA GLU A 64 6.835 13.648 5.343 1.00 0.00 C ATOM 876 C GLU A 64 6.550 12.277 5.937 1.00 0.00 C ATOM 877 O GLU A 64 7.235 11.858 6.868 1.00 0.00 O ATOM 878 CB GLU A 64 6.519 13.683 3.846 1.00 0.00 C ATOM 879 CG GLU A 64 7.487 12.887 2.983 1.00 0.00 C ATOM 880 CD GLU A 64 8.376 13.768 2.126 1.00 0.00 C ATOM 881 OE1 GLU A 64 7.841 14.612 1.370 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.611 13.623 2.206 1.00 0.00 O ATOM 0 H GLU A 64 8.855 13.666 4.842 1.00 0.00 H new ATOM 0 HA GLU A 64 6.192 14.379 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.511 13.298 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.520 14.720 3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.111 12.265 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.922 12.214 2.339 1.00 0.00 H new ATOM 889 N ARG A 65 5.560 11.575 5.415 1.00 0.00 N ATOM 890 CA ARG A 65 5.205 10.273 5.950 1.00 0.00 C ATOM 891 C ARG A 65 6.070 9.190 5.312 1.00 0.00 C ATOM 892 O ARG A 65 6.581 9.369 4.204 1.00 0.00 O ATOM 893 CB ARG A 65 3.725 9.978 5.701 1.00 0.00 C ATOM 894 CG ARG A 65 3.183 8.872 6.586 1.00 0.00 C ATOM 895 CD ARG A 65 3.102 9.335 8.028 1.00 0.00 C ATOM 896 NE ARG A 65 1.925 10.171 8.279 1.00 0.00 N ATOM 897 CZ ARG A 65 1.801 11.011 9.310 1.00 0.00 C ATOM 898 NH1 ARG A 65 2.816 11.221 10.138 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.661 11.662 9.493 1.00 0.00 N ATOM 0 H ARG A 65 4.991 11.882 4.626 1.00 0.00 H new ATOM 0 HA ARG A 65 5.382 10.280 7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.146 10.886 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.587 9.700 4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.194 8.572 6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.826 7.994 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.074 8.466 8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.003 9.895 8.278 1.00 0.00 H new ATOM 0 HE ARG A 65 1.148 10.107 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.703 10.739 9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.710 11.865 10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.116 11.520 8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.561 12.305 10.279 1.00 0.00 H new ATOM 913 N SER A 66 6.249 8.076 6.007 1.00 0.00 N ATOM 914 CA SER A 66 7.001 6.963 5.453 1.00 0.00 C ATOM 915 C SER A 66 6.123 5.722 5.394 1.00 0.00 C ATOM 916 O SER A 66 5.640 5.246 6.419 1.00 0.00 O ATOM 917 CB SER A 66 8.255 6.703 6.288 1.00 0.00 C ATOM 918 OG SER A 66 7.915 6.432 7.636 1.00 0.00 O ATOM 0 H SER A 66 5.887 7.921 6.948 1.00 0.00 H new ATOM 0 HA SER A 66 7.314 7.214 4.439 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.807 5.860 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.914 7.570 6.242 1.00 0.00 H new ATOM 0 HG SER A 66 8.630 5.909 8.055 1.00 0.00 H new ATOM 924 N VAL A 67 5.884 5.231 4.194 1.00 0.00 N ATOM 925 CA VAL A 67 5.073 4.039 4.009 1.00 0.00 C ATOM 926 C VAL A 67 5.960 2.851 3.685 1.00 0.00 C ATOM 927 O VAL A 67 6.694 2.875 2.700 1.00 0.00 O ATOM 928 CB VAL A 67 4.043 4.225 2.876 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.259 2.944 2.640 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.099 5.371 3.195 1.00 0.00 C ATOM 0 H VAL A 67 6.240 5.639 3.329 1.00 0.00 H new ATOM 0 HA VAL A 67 4.535 3.860 4.940 1.00 0.00 H new ATOM 0 HB VAL A 67 4.586 4.466 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.539 3.101 1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.945 2.144 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.730 2.668 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.380 5.487 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.568 5.158 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.670 6.292 3.307 1.00 0.00 H new ATOM 940 N SER A 68 5.900 1.820 4.509 1.00 0.00 N ATOM 941 CA SER A 68 6.694 0.636 4.268 1.00 0.00 C ATOM 942 C SER A 68 5.972 -0.329 3.352 1.00 0.00 C ATOM 943 O SER A 68 4.810 -0.684 3.577 1.00 0.00 O ATOM 944 CB SER A 68 7.046 -0.068 5.562 1.00 0.00 C ATOM 945 OG SER A 68 7.854 0.751 6.390 1.00 0.00 O ATOM 0 H SER A 68 5.314 1.781 5.343 1.00 0.00 H new ATOM 0 HA SER A 68 7.615 0.965 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.133 -0.337 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.572 -0.997 5.342 1.00 0.00 H new ATOM 0 HG SER A 68 8.050 1.592 5.927 1.00 0.00 H new ATOM 951 N LEU A 69 6.668 -0.741 2.316 1.00 0.00 N ATOM 952 CA LEU A 69 6.130 -1.669 1.351 1.00 0.00 C ATOM 953 C LEU A 69 6.715 -3.062 1.540 1.00 0.00 C ATOM 954 O LEU A 69 7.912 -3.270 1.349 1.00 0.00 O ATOM 955 CB LEU A 69 6.446 -1.173 -0.052 1.00 0.00 C ATOM 956 CG LEU A 69 5.568 -0.034 -0.590 1.00 0.00 C ATOM 957 CD1 LEU A 69 4.115 -0.473 -0.686 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.681 1.216 0.265 1.00 0.00 C ATOM 0 H LEU A 69 7.623 -0.441 2.120 1.00 0.00 H new ATOM 0 HA LEU A 69 5.051 -1.730 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.484 -0.841 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.368 -2.017 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 69 5.931 0.209 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.511 0.349 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.036 -1.326 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.755 -0.758 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.045 1.999 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.363 0.990 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.716 1.557 0.275 1.00 0.00 H new ATOM 970 N THR A 70 5.880 -4.001 1.964 1.00 0.00 N ATOM 971 CA THR A 70 6.271 -5.403 2.050 1.00 0.00 C ATOM 972 C THR A 70 5.040 -6.293 1.874 1.00 0.00 C ATOM 973 O THR A 70 3.930 -5.847 2.129 1.00 0.00 O ATOM 974 CB THR A 70 6.944 -5.711 3.403 1.00 0.00 C ATOM 975 OG1 THR A 70 7.998 -4.770 3.654 1.00 0.00 O ATOM 976 CG2 THR A 70 7.516 -7.113 3.399 1.00 0.00 C ATOM 0 H THR A 70 4.920 -3.816 2.256 1.00 0.00 H new ATOM 0 HA THR A 70 6.990 -5.606 1.256 1.00 0.00 H new ATOM 0 HB THR A 70 6.192 -5.633 4.188 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.419 -4.972 4.516 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.988 -7.316 4.360 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.715 -7.832 3.229 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.258 -7.201 2.605 1.00 0.00 H new ATOM 984 N GLY A 71 5.219 -7.535 1.423 1.00 0.00 N ATOM 985 CA GLY A 71 4.087 -8.439 1.307 1.00 0.00 C ATOM 986 C GLY A 71 4.400 -9.700 0.522 1.00 0.00 C ATOM 987 O GLY A 71 5.022 -10.627 1.039 1.00 0.00 O ATOM 0 H GLY A 71 6.117 -7.927 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.749 -8.716 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.261 -7.915 0.825 1.00 0.00 H new ATOM 991 N ALA A 72 3.965 -9.722 -0.731 1.00 0.00 N ATOM 992 CA ALA A 72 4.127 -10.879 -1.604 1.00 0.00 C ATOM 993 C ALA A 72 4.395 -10.392 -3.028 1.00 0.00 C ATOM 994 O ALA A 72 4.148 -9.226 -3.315 1.00 0.00 O ATOM 995 CB ALA A 72 2.877 -11.753 -1.538 1.00 0.00 C ATOM 0 H ALA A 72 3.488 -8.936 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 72 4.973 -11.484 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.002 -12.616 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.724 -12.092 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.011 -11.175 -1.862 1.00 0.00 H new ATOM 1001 N PRO A 73 4.894 -11.254 -3.940 1.00 0.00 N ATOM 1002 CA PRO A 73 5.338 -10.834 -5.282 1.00 0.00 C ATOM 1003 C PRO A 73 4.322 -9.960 -6.015 1.00 0.00 C ATOM 1004 O PRO A 73 4.641 -8.861 -6.469 1.00 0.00 O ATOM 1005 CB PRO A 73 5.550 -12.157 -6.035 1.00 0.00 C ATOM 1006 CG PRO A 73 4.977 -13.225 -5.158 1.00 0.00 C ATOM 1007 CD PRO A 73 5.063 -12.703 -3.755 1.00 0.00 C ATOM 0 HA PRO A 73 6.233 -10.215 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.052 -12.139 -7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.609 -12.333 -6.224 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.944 -13.440 -5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.535 -14.156 -5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.285 -13.124 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.020 -12.943 -3.291 1.00 0.00 H new ATOM 1015 N GLU A 74 3.099 -10.444 -6.113 1.00 0.00 N ATOM 1016 CA GLU A 74 2.048 -9.733 -6.831 1.00 0.00 C ATOM 1017 C GLU A 74 1.376 -8.692 -5.936 1.00 0.00 C ATOM 1018 O GLU A 74 0.902 -7.656 -6.409 1.00 0.00 O ATOM 1019 CB GLU A 74 1.010 -10.725 -7.381 1.00 0.00 C ATOM 1020 CG GLU A 74 0.169 -11.439 -6.321 1.00 0.00 C ATOM 1021 CD GLU A 74 0.998 -12.212 -5.313 1.00 0.00 C ATOM 1022 OE1 GLU A 74 1.433 -13.337 -5.620 1.00 0.00 O ATOM 1023 OE2 GLU A 74 1.232 -11.684 -4.212 1.00 0.00 O ATOM 0 H GLU A 74 2.804 -11.330 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 74 2.506 -9.207 -7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.340 -10.190 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.528 -11.476 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.438 -10.703 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.520 -12.124 -6.815 1.00 0.00 H new ATOM 1030 N SER A 75 1.346 -8.976 -4.644 1.00 0.00 N ATOM 1031 CA SER A 75 0.685 -8.118 -3.677 1.00 0.00 C ATOM 1032 C SER A 75 1.482 -6.842 -3.437 1.00 0.00 C ATOM 1033 O SER A 75 0.920 -5.745 -3.392 1.00 0.00 O ATOM 1034 CB SER A 75 0.509 -8.878 -2.364 1.00 0.00 C ATOM 1035 OG SER A 75 -0.110 -10.136 -2.579 1.00 0.00 O ATOM 0 H SER A 75 1.778 -9.806 -4.238 1.00 0.00 H new ATOM 0 HA SER A 75 -0.290 -7.835 -4.074 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.481 -9.024 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.094 -8.286 -1.676 1.00 0.00 H new ATOM 0 HG SER A 75 0.451 -10.680 -3.171 1.00 0.00 H new ATOM 1041 N VAL A 76 2.793 -6.991 -3.309 1.00 0.00 N ATOM 1042 CA VAL A 76 3.672 -5.869 -3.023 1.00 0.00 C ATOM 1043 C VAL A 76 3.710 -4.921 -4.215 1.00 0.00 C ATOM 1044 O VAL A 76 3.968 -3.727 -4.070 1.00 0.00 O ATOM 1045 CB VAL A 76 5.100 -6.353 -2.667 1.00 0.00 C ATOM 1046 CG1 VAL A 76 5.922 -6.670 -3.910 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.808 -5.341 -1.784 1.00 0.00 C ATOM 0 H VAL A 76 3.273 -7.886 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 76 3.277 -5.336 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 76 4.999 -7.283 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.916 -7.005 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.429 -7.457 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.010 -5.775 -4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.809 -5.702 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.881 -4.388 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.243 -5.205 -0.862 1.00 0.00 H new ATOM 1057 N GLN A 77 3.424 -5.463 -5.390 1.00 0.00 N ATOM 1058 CA GLN A 77 3.365 -4.667 -6.599 1.00 0.00 C ATOM 1059 C GLN A 77 2.086 -3.842 -6.614 1.00 0.00 C ATOM 1060 O GLN A 77 2.107 -2.665 -6.952 1.00 0.00 O ATOM 1061 CB GLN A 77 3.432 -5.565 -7.834 1.00 0.00 C ATOM 1062 CG GLN A 77 3.383 -4.799 -9.143 1.00 0.00 C ATOM 1063 CD GLN A 77 3.487 -5.710 -10.346 1.00 0.00 C ATOM 1064 OE1 GLN A 77 2.478 -6.183 -10.872 1.00 0.00 O ATOM 1065 NE2 GLN A 77 4.704 -5.963 -10.787 1.00 0.00 N ATOM 0 H GLN A 77 3.229 -6.455 -5.528 1.00 0.00 H new ATOM 0 HA GLN A 77 4.221 -3.993 -6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.351 -6.150 -7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.603 -6.272 -7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.452 -4.235 -9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.197 -4.074 -9.168 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.512 -5.550 -10.321 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.838 -6.572 -11.594 1.00 0.00 H new ATOM 1074 N LYS A 78 0.978 -4.467 -6.221 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.318 -3.796 -6.194 1.00 0.00 C ATOM 1076 C LYS A 78 -0.279 -2.608 -5.236 1.00 0.00 C ATOM 1077 O LYS A 78 -0.760 -1.512 -5.547 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.412 -4.771 -5.747 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.819 -4.261 -6.009 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.170 -4.373 -7.481 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.431 -3.597 -7.826 1.00 0.00 C ATOM 1082 NZ LYS A 78 -4.242 -2.130 -7.682 1.00 0.00 N ATOM 0 H LYS A 78 0.953 -5.440 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.541 -3.441 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.276 -5.721 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.298 -4.969 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.533 -4.832 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.899 -3.222 -5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.340 -4.001 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.307 -5.422 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.728 -3.825 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.245 -3.922 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.001 -1.631 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.271 -1.873 -6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.322 -1.858 -8.082 1.00 0.00 H new ATOM 1096 N ALA A 79 0.304 -2.843 -4.072 1.00 0.00 N ATOM 1097 CA ALA A 79 0.454 -1.810 -3.068 1.00 0.00 C ATOM 1098 C ALA A 79 1.263 -0.645 -3.615 1.00 0.00 C ATOM 1099 O ALA A 79 0.868 0.516 -3.496 1.00 0.00 O ATOM 1100 CB ALA A 79 1.126 -2.388 -1.843 1.00 0.00 C ATOM 0 H ALA A 79 0.683 -3.750 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.533 -1.438 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.238 -1.610 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.516 -3.198 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.108 -2.774 -2.115 1.00 0.00 H new ATOM 1106 N LYS A 80 2.392 -0.964 -4.235 1.00 0.00 N ATOM 1107 CA LYS A 80 3.256 0.052 -4.807 1.00 0.00 C ATOM 1108 C LYS A 80 2.611 0.711 -6.023 1.00 0.00 C ATOM 1109 O LYS A 80 3.005 1.800 -6.407 1.00 0.00 O ATOM 1110 CB LYS A 80 4.635 -0.517 -5.151 1.00 0.00 C ATOM 1111 CG LYS A 80 5.396 -0.993 -3.921 1.00 0.00 C ATOM 1112 CD LYS A 80 6.865 -1.281 -4.204 1.00 0.00 C ATOM 1113 CE LYS A 80 7.054 -2.373 -5.245 1.00 0.00 C ATOM 1114 NZ LYS A 80 7.104 -1.821 -6.626 1.00 0.00 N ATOM 0 H LYS A 80 2.728 -1.920 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 80 3.397 0.824 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.518 -1.349 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.221 0.246 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.324 -0.236 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.923 -1.895 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.351 -0.368 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.359 -1.576 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.976 -2.916 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.237 -3.091 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.398 -2.303 -7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.897 -0.802 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.052 -1.971 -7.026 1.00 0.00 H new ATOM 1128 N MET A 81 1.635 0.045 -6.638 1.00 0.00 N ATOM 1129 CA MET A 81 0.839 0.673 -7.693 1.00 0.00 C ATOM 1130 C MET A 81 0.158 1.925 -7.150 1.00 0.00 C ATOM 1131 O MET A 81 0.186 2.984 -7.780 1.00 0.00 O ATOM 1132 CB MET A 81 -0.222 -0.284 -8.253 1.00 0.00 C ATOM 1133 CG MET A 81 0.334 -1.420 -9.096 1.00 0.00 C ATOM 1134 SD MET A 81 1.138 -0.843 -10.603 1.00 0.00 S ATOM 1135 CE MET A 81 1.665 -2.396 -11.326 1.00 0.00 C ATOM 0 H MET A 81 1.378 -0.919 -6.428 1.00 0.00 H new ATOM 0 HA MET A 81 1.516 0.937 -8.505 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.785 -0.708 -7.422 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.926 0.288 -8.857 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.050 -1.990 -8.503 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.475 -2.101 -9.359 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.730 -2.290 -12.409 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.643 -2.669 -10.929 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.943 -3.175 -11.081 1.00 0.00 H new ATOM 1145 N MET A 82 -0.453 1.797 -5.973 1.00 0.00 N ATOM 1146 CA MET A 82 -1.051 2.950 -5.294 1.00 0.00 C ATOM 1147 C MET A 82 0.017 3.970 -4.921 1.00 0.00 C ATOM 1148 O MET A 82 -0.109 5.159 -5.210 1.00 0.00 O ATOM 1149 CB MET A 82 -1.787 2.526 -4.022 1.00 0.00 C ATOM 1150 CG MET A 82 -3.115 1.835 -4.263 1.00 0.00 C ATOM 1151 SD MET A 82 -3.995 1.509 -2.727 1.00 0.00 S ATOM 1152 CE MET A 82 -4.284 3.176 -2.134 1.00 0.00 C ATOM 0 H MET A 82 -0.548 0.914 -5.471 1.00 0.00 H new ATOM 0 HA MET A 82 -1.762 3.397 -5.989 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.143 1.858 -3.451 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.958 3.408 -3.405 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.734 2.456 -4.911 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.945 0.896 -4.789 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.133 3.177 -1.451 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.397 3.535 -1.612 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.498 3.831 -2.979 1.00 0.00 H new ATOM 1162 N LEU A 83 1.069 3.485 -4.285 1.00 0.00 N ATOM 1163 CA LEU A 83 2.134 4.340 -3.774 1.00 0.00 C ATOM 1164 C LEU A 83 2.796 5.141 -4.890 1.00 0.00 C ATOM 1165 O LEU A 83 2.913 6.354 -4.795 1.00 0.00 O ATOM 1166 CB LEU A 83 3.181 3.510 -3.027 1.00 0.00 C ATOM 1167 CG LEU A 83 2.940 3.346 -1.521 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.918 4.704 -0.838 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.648 2.590 -1.248 1.00 0.00 C ATOM 0 H LEU A 83 1.212 2.491 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 83 1.680 5.046 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.226 2.520 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.157 3.972 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 83 3.762 2.760 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.746 4.571 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.874 5.204 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.118 5.311 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.505 2.490 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.808 3.138 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.703 1.600 -1.700 1.00 0.00 H new ATOM 1181 N ASP A 84 3.202 4.461 -5.951 1.00 0.00 N ATOM 1182 CA ASP A 84 3.877 5.109 -7.072 1.00 0.00 C ATOM 1183 C ASP A 84 2.973 6.158 -7.698 1.00 0.00 C ATOM 1184 O ASP A 84 3.413 7.257 -8.018 1.00 0.00 O ATOM 1185 CB ASP A 84 4.284 4.070 -8.123 1.00 0.00 C ATOM 1186 CG ASP A 84 5.085 4.667 -9.263 1.00 0.00 C ATOM 1187 OD1 ASP A 84 6.318 4.800 -9.121 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.489 4.994 -10.311 1.00 0.00 O ATOM 0 H ASP A 84 3.076 3.455 -6.062 1.00 0.00 H new ATOM 0 HA ASP A 84 4.776 5.599 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.872 3.287 -7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.388 3.596 -8.524 1.00 0.00 H new ATOM 1193 N ASP A 85 1.701 5.813 -7.834 1.00 0.00 N ATOM 1194 CA ASP A 85 0.704 6.707 -8.412 1.00 0.00 C ATOM 1195 C ASP A 85 0.574 8.000 -7.599 1.00 0.00 C ATOM 1196 O ASP A 85 0.766 9.104 -8.119 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.644 5.981 -8.466 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.754 6.810 -9.089 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.339 7.662 -8.392 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.068 6.589 -10.277 1.00 0.00 O ATOM 0 H ASP A 85 1.330 4.907 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 85 1.021 6.982 -9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.528 5.058 -9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.936 5.698 -7.455 1.00 0.00 H new ATOM 1205 N ILE A 86 0.278 7.852 -6.316 1.00 0.00 N ATOM 1206 CA ILE A 86 0.005 8.993 -5.451 1.00 0.00 C ATOM 1207 C ILE A 86 1.280 9.752 -5.079 1.00 0.00 C ATOM 1208 O ILE A 86 1.281 10.978 -4.972 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.771 8.555 -4.183 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.253 8.396 -4.515 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.593 9.532 -3.036 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.570 7.130 -5.275 1.00 0.00 C ATOM 0 H ILE A 86 0.220 6.948 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.624 9.681 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.361 7.599 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.827 8.407 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.579 9.254 -5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.155 9.183 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.464 9.602 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.960 10.514 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.640 7.085 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.023 7.125 -6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.275 6.265 -4.680 1.00 0.00 H new ATOM 1224 N VAL A 87 2.375 9.044 -4.906 1.00 0.00 N ATOM 1225 CA VAL A 87 3.622 9.695 -4.556 1.00 0.00 C ATOM 1226 C VAL A 87 4.188 10.467 -5.744 1.00 0.00 C ATOM 1227 O VAL A 87 4.856 11.481 -5.569 1.00 0.00 O ATOM 1228 CB VAL A 87 4.652 8.692 -4.001 1.00 0.00 C ATOM 1229 CG1 VAL A 87 6.024 9.333 -3.851 1.00 0.00 C ATOM 1230 CG2 VAL A 87 4.186 8.157 -2.659 1.00 0.00 C ATOM 0 H VAL A 87 2.430 8.030 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 87 3.406 10.410 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 87 4.736 7.870 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.727 8.599 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.371 9.683 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.958 10.177 -3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.920 7.449 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.076 8.983 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.227 7.654 -2.781 1.00 0.00 H new ATOM 1240 N SER A 88 3.886 10.022 -6.951 1.00 0.00 N ATOM 1241 CA SER A 88 4.289 10.760 -8.136 1.00 0.00 C ATOM 1242 C SER A 88 3.506 12.067 -8.249 1.00 0.00 C ATOM 1243 O SER A 88 4.070 13.102 -8.588 1.00 0.00 O ATOM 1244 CB SER A 88 4.093 9.914 -9.387 1.00 0.00 C ATOM 1245 OG SER A 88 4.978 8.807 -9.395 1.00 0.00 O ATOM 0 H SER A 88 3.369 9.163 -7.136 1.00 0.00 H new ATOM 0 HA SER A 88 5.348 11.000 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.063 9.561 -9.434 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.261 10.525 -10.274 1.00 0.00 H new ATOM 0 HG SER A 88 4.588 8.073 -8.876 1.00 0.00 H new ATOM 1251 N ARG A 89 2.211 12.027 -7.941 1.00 0.00 N ATOM 1252 CA ARG A 89 1.387 13.234 -8.000 1.00 0.00 C ATOM 1253 C ARG A 89 1.699 14.166 -6.825 1.00 0.00 C ATOM 1254 O ARG A 89 1.436 15.367 -6.888 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.112 12.888 -8.023 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.637 12.269 -6.736 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.130 12.022 -6.797 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.899 13.258 -6.899 1.00 0.00 N ATOM 1259 CZ ARG A 89 -4.225 13.294 -6.989 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -4.919 12.164 -7.042 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.854 14.458 -7.046 1.00 0.00 N ATOM 0 H ARG A 89 1.714 11.184 -7.652 1.00 0.00 H new ATOM 0 HA ARG A 89 1.630 13.751 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.678 13.796 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.300 12.198 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.121 11.328 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.412 12.928 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.355 11.387 -7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.441 11.477 -5.906 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.391 14.143 -6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.435 11.267 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.936 12.193 -7.111 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.321 15.327 -7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.871 14.485 -7.115 1.00 0.00 H new ATOM 1275 N GLY A 90 2.266 13.608 -5.759 1.00 0.00 N ATOM 1276 CA GLY A 90 2.573 14.399 -4.580 1.00 0.00 C ATOM 1277 C GLY A 90 3.993 14.930 -4.572 1.00 0.00 C ATOM 1278 O GLY A 90 4.209 16.137 -4.517 1.00 0.00 O ATOM 0 H GLY A 90 2.518 12.622 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.878 15.237 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.414 13.790 -3.690 1.00 0.00 H new ATOM 1282 N ARG A 91 4.963 14.027 -4.626 1.00 0.00 N ATOM 1283 CA ARG A 91 6.373 14.401 -4.602 1.00 0.00 C ATOM 1284 C ARG A 91 6.804 14.966 -5.948 1.00 0.00 C ATOM 1285 O ARG A 91 7.809 15.670 -6.047 1.00 0.00 O ATOM 1286 CB ARG A 91 7.246 13.189 -4.257 1.00 0.00 C ATOM 1287 CG ARG A 91 7.229 12.801 -2.787 1.00 0.00 C ATOM 1288 CD ARG A 91 7.901 13.855 -1.920 1.00 0.00 C ATOM 1289 NE ARG A 91 9.234 14.191 -2.409 1.00 0.00 N ATOM 1290 CZ ARG A 91 10.131 14.895 -1.724 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.898 15.259 -0.465 1.00 0.00 N ATOM 1292 NH2 ARG A 91 11.282 15.207 -2.300 1.00 0.00 N ATOM 0 H ARG A 91 4.798 13.022 -4.687 1.00 0.00 H new ATOM 0 HA ARG A 91 6.502 15.166 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.913 12.337 -4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.274 13.401 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.199 12.662 -2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.736 11.845 -2.657 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.285 14.754 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.971 13.491 -0.895 1.00 0.00 H new ATOM 0 HE ARG A 91 9.496 13.864 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.022 14.998 -0.013 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.596 15.799 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.471 14.908 -3.257 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.979 15.746 -1.787 1.00 0.00 H new