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 180:sc= -0.042 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.177 USER MOD Set 2.1: A 43 ASN : amide:sc= 0 K(o=-0.029,f=-2.2) USER MOD Set 2.2: A 46 GLN : amide:sc= -0.0292 K(o=-0.029,f=-1.8) USER MOD Single : A 7 SER OG : rot -73:sc= 1.27 USER MOD Single : A 8 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.66) USER MOD Single : A 13 HIS : no HD1:sc= -0.285 X(o=-0.29,f=0.066) USER MOD Single : A 18 THR OG1 : rot -25:sc= 0.653 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 20 MET CE :methyl 164:sc= -0.197 (180deg=-0.743) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -145:sc= -3.18! (180deg=-4.93!) USER MOD Single : A 41 GLN : amide:sc= 0.0165 X(o=0.016,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0.718) USER MOD Single : A 47 GLN : amide:sc= -0.599 K(o=-0.6,f=-1.8!) USER MOD Single : A 49 SER OG : rot -79:sc= 0.851 USER MOD Single : A 51 CYS SG : rot 1:sc= -1.21! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.85! K(o=-1.9!,f=-0.78) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -141:sc= 1.32 USER MOD Single : A 66 SER OG : rot 160:sc= -2.39! USER MOD Single : A 68 SER OG : rot -14:sc= 1.26 USER MOD Single : A 75 SER OG : rot -77:sc= 0.122 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0.975 (180deg=0.811) USER MOD Single : A 80 LYS NZ :NH3+ -125:sc= 1.05 (180deg=-0.0636) USER MOD Single : A 81 MET CE :methyl 159:sc= -0.129 (180deg=-0.742) USER MOD Single : A 82 MET CE :methyl -176:sc= 0 (180deg=-0.0112) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.328 4.098 -0.806 1.00 0.00 N ATOM 32 CA SER A 7 13.397 2.648 -1.006 1.00 0.00 C ATOM 33 C SER A 7 14.066 1.971 0.192 1.00 0.00 C ATOM 34 O SER A 7 14.106 2.548 1.266 1.00 0.00 O ATOM 35 CB SER A 7 14.156 2.326 -2.302 1.00 0.00 C ATOM 36 OG SER A 7 13.481 2.847 -3.434 1.00 0.00 O ATOM 0 HA SER A 7 12.382 2.261 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.162 2.743 -2.251 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.264 1.246 -2.405 1.00 0.00 H new ATOM 0 HG SER A 7 12.684 2.307 -3.617 1.00 0.00 H new ATOM 42 N GLN A 8 14.500 0.720 0.004 1.00 0.00 N ATOM 43 CA GLN A 8 15.350 -0.007 0.967 1.00 0.00 C ATOM 44 C GLN A 8 16.001 -1.196 0.268 1.00 0.00 C ATOM 45 O GLN A 8 17.144 -1.551 0.556 1.00 0.00 O ATOM 46 CB GLN A 8 14.582 -0.542 2.190 1.00 0.00 C ATOM 47 CG GLN A 8 14.166 0.505 3.214 1.00 0.00 C ATOM 48 CD GLN A 8 15.345 1.251 3.811 1.00 0.00 C ATOM 49 OE1 GLN A 8 16.447 0.714 3.926 1.00 0.00 O ATOM 50 NE2 GLN A 8 15.122 2.497 4.190 1.00 0.00 N ATOM 0 H GLN A 8 14.272 0.174 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 8 16.085 0.713 1.326 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.688 -1.056 1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.202 -1.286 2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.492 1.220 2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.607 0.021 4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.194 2.906 4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.878 3.050 4.595 1.00 0.00 H new ATOM 59 N LEU A 9 15.231 -1.816 -0.633 1.00 0.00 N ATOM 60 CA LEU A 9 15.691 -2.956 -1.431 1.00 0.00 C ATOM 61 C LEU A 9 15.858 -4.197 -0.557 1.00 0.00 C ATOM 62 O LEU A 9 14.930 -4.585 0.155 1.00 0.00 O ATOM 63 CB LEU A 9 16.993 -2.624 -2.175 1.00 0.00 C ATOM 64 CG LEU A 9 16.881 -1.512 -3.224 1.00 0.00 C ATOM 65 CD1 LEU A 9 18.235 -1.241 -3.858 1.00 0.00 C ATOM 66 CD2 LEU A 9 15.859 -1.883 -4.290 1.00 0.00 C ATOM 0 H LEU A 9 14.269 -1.540 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 9 14.929 -3.171 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 9 17.747 -2.336 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 9 17.353 -3.529 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 9 16.544 -0.603 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.137 -0.449 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.942 -0.932 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 9 18.599 -2.148 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.793 -1.081 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.167 -2.805 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.884 -2.029 -3.824 1.00 0.00 H new ATOM 78 N GLY A 10 17.027 -4.815 -0.609 1.00 0.00 N ATOM 79 CA GLY A 10 17.261 -6.018 0.161 1.00 0.00 C ATOM 80 C GLY A 10 18.075 -7.047 -0.599 1.00 0.00 C ATOM 81 O GLY A 10 17.662 -7.506 -1.666 1.00 0.00 O ATOM 0 H GLY A 10 17.819 -4.505 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.780 -5.759 1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.304 -6.455 0.445 1.00 0.00 H new ATOM 85 N PRO A 11 19.253 -7.424 -0.071 1.00 0.00 N ATOM 86 CA PRO A 11 20.115 -8.444 -0.673 1.00 0.00 C ATOM 87 C PRO A 11 19.598 -9.859 -0.413 1.00 0.00 C ATOM 88 O PRO A 11 20.133 -10.838 -0.937 1.00 0.00 O ATOM 89 CB PRO A 11 21.472 -8.239 0.022 1.00 0.00 C ATOM 90 CG PRO A 11 21.324 -7.017 0.873 1.00 0.00 C ATOM 91 CD PRO A 11 19.857 -6.870 1.145 1.00 0.00 C ATOM 0 HA PRO A 11 20.162 -8.343 -1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 11 21.734 -9.106 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 11 22.269 -8.109 -0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 11 21.884 -7.120 1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 11 21.715 -6.137 0.362 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.552 -7.419 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 11 19.575 -5.829 1.300 1.00 0.00 H new ATOM 99 N ILE A 12 18.565 -9.958 0.412 1.00 0.00 N ATOM 100 CA ILE A 12 17.949 -11.240 0.724 1.00 0.00 C ATOM 101 C ILE A 12 16.801 -11.491 -0.251 1.00 0.00 C ATOM 102 O ILE A 12 15.797 -10.793 -0.217 1.00 0.00 O ATOM 103 CB ILE A 12 17.419 -11.267 2.174 1.00 0.00 C ATOM 104 CG1 ILE A 12 18.450 -10.651 3.124 1.00 0.00 C ATOM 105 CG2 ILE A 12 17.107 -12.694 2.594 1.00 0.00 C ATOM 106 CD1 ILE A 12 17.988 -10.573 4.561 1.00 0.00 C ATOM 0 H ILE A 12 18.134 -9.161 0.880 1.00 0.00 H new ATOM 0 HA ILE A 12 18.702 -12.022 0.627 1.00 0.00 H new ATOM 0 HB ILE A 12 16.502 -10.680 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.367 -11.238 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 12 18.696 -9.648 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 12 16.734 -12.699 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 12 16.350 -13.111 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 12 18.013 -13.297 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 12 18.772 -10.126 5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 12 17.088 -9.961 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.770 -11.576 4.928 1.00 0.00 H new ATOM 118 N HIS A 13 16.951 -12.499 -1.102 1.00 0.00 N ATOM 119 CA HIS A 13 16.083 -12.650 -2.275 1.00 0.00 C ATOM 120 C HIS A 13 14.710 -13.321 -2.037 1.00 0.00 C ATOM 121 O HIS A 13 13.904 -13.316 -2.970 1.00 0.00 O ATOM 122 CB HIS A 13 16.822 -13.394 -3.387 1.00 0.00 C ATOM 123 CG HIS A 13 17.888 -12.575 -4.045 1.00 0.00 C ATOM 124 ND1 HIS A 13 17.836 -12.196 -5.365 1.00 0.00 N ATOM 125 CD2 HIS A 13 19.043 -12.068 -3.557 1.00 0.00 C ATOM 126 CE1 HIS A 13 18.906 -11.485 -5.658 1.00 0.00 C ATOM 127 NE2 HIS A 13 19.659 -11.389 -4.580 1.00 0.00 N ATOM 0 H HIS A 13 17.662 -13.224 -1.007 1.00 0.00 H new ATOM 0 HA HIS A 13 15.848 -11.624 -2.558 1.00 0.00 H new ATOM 0 HB2 HIS A 13 17.271 -14.297 -2.973 1.00 0.00 H new ATOM 0 HB3 HIS A 13 16.102 -13.713 -4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 13 19.413 -12.177 -2.548 1.00 0.00 H new ATOM 0 HE1 HIS A 13 19.129 -11.052 -6.622 1.00 0.00 H new ATOM 0 HE2 HIS A 13 20.549 -10.894 -4.516 1.00 0.00 H new ATOM 136 N PRO A 14 14.409 -13.962 -0.868 1.00 0.00 N ATOM 137 CA PRO A 14 13.046 -14.396 -0.545 1.00 0.00 C ATOM 138 C PRO A 14 11.975 -13.433 -1.067 1.00 0.00 C ATOM 139 O PRO A 14 12.041 -12.225 -0.804 1.00 0.00 O ATOM 140 CB PRO A 14 13.058 -14.405 0.980 1.00 0.00 C ATOM 141 CG PRO A 14 14.459 -14.760 1.353 1.00 0.00 C ATOM 142 CD PRO A 14 15.345 -14.409 0.178 1.00 0.00 C ATOM 0 HA PRO A 14 12.798 -15.354 -1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.777 -13.432 1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.348 -15.131 1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.769 -14.213 2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.536 -15.822 1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.055 -13.624 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.927 -15.270 -0.151 1.00 0.00 H new ATOM 150 N PRO A 15 10.980 -13.979 -1.812 1.00 0.00 N ATOM 151 CA PRO A 15 9.932 -13.204 -2.495 1.00 0.00 C ATOM 152 C PRO A 15 9.475 -11.996 -1.693 1.00 0.00 C ATOM 153 O PRO A 15 9.118 -12.141 -0.532 1.00 0.00 O ATOM 154 CB PRO A 15 8.811 -14.225 -2.643 1.00 0.00 C ATOM 155 CG PRO A 15 9.524 -15.516 -2.843 1.00 0.00 C ATOM 156 CD PRO A 15 10.792 -15.427 -2.029 1.00 0.00 C ATOM 0 HA PRO A 15 10.274 -12.780 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.177 -14.252 -1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.166 -13.990 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.910 -16.355 -2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.749 -15.677 -3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.698 -15.963 -1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.638 -15.864 -2.560 1.00 0.00 H new ATOM 164 N PRO A 16 9.395 -10.825 -2.368 1.00 0.00 N ATOM 165 CA PRO A 16 9.395 -9.463 -1.793 1.00 0.00 C ATOM 166 C PRO A 16 8.907 -9.316 -0.350 1.00 0.00 C ATOM 167 O PRO A 16 7.933 -8.615 -0.085 1.00 0.00 O ATOM 168 CB PRO A 16 8.472 -8.693 -2.753 1.00 0.00 C ATOM 169 CG PRO A 16 8.146 -9.645 -3.855 1.00 0.00 C ATOM 170 CD PRO A 16 9.195 -10.715 -3.806 1.00 0.00 C ATOM 0 HA PRO A 16 10.420 -9.101 -1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.568 -8.360 -2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.966 -7.802 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.151 -10.069 -3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.150 -9.139 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.854 -11.650 -4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.106 -10.427 -4.330 1.00 0.00 H new ATOM 178 N ARG A 17 9.605 -9.950 0.577 1.00 0.00 N ATOM 179 CA ARG A 17 9.384 -9.721 1.989 1.00 0.00 C ATOM 180 C ARG A 17 10.685 -9.260 2.624 1.00 0.00 C ATOM 181 O ARG A 17 10.810 -9.165 3.844 1.00 0.00 O ATOM 182 CB ARG A 17 8.831 -10.970 2.684 1.00 0.00 C ATOM 183 CG ARG A 17 9.683 -12.217 2.514 1.00 0.00 C ATOM 184 CD ARG A 17 9.016 -13.419 3.160 1.00 0.00 C ATOM 185 NE ARG A 17 7.658 -13.624 2.657 1.00 0.00 N ATOM 186 CZ ARG A 17 6.606 -13.892 3.429 1.00 0.00 C ATOM 187 NH1 ARG A 17 6.747 -14.020 4.744 1.00 0.00 N ATOM 188 NH2 ARG A 17 5.410 -14.037 2.877 1.00 0.00 N ATOM 0 H ARG A 17 10.335 -10.632 0.371 1.00 0.00 H new ATOM 0 HA ARG A 17 8.631 -8.943 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.725 -10.761 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.832 -11.173 2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.844 -12.411 1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.664 -12.056 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.612 -14.311 2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.986 -13.280 4.241 1.00 0.00 H new ATOM 0 HE ARG A 17 7.507 -13.557 1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.667 -13.913 5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.935 -14.225 5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.300 -13.943 1.867 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.600 -14.242 3.462 1.00 0.00 H new ATOM 202 N THR A 18 11.642 -8.963 1.751 1.00 0.00 N ATOM 203 CA THR A 18 12.952 -8.463 2.143 1.00 0.00 C ATOM 204 C THR A 18 13.864 -8.360 0.920 1.00 0.00 C ATOM 205 O THR A 18 14.969 -7.828 1.005 1.00 0.00 O ATOM 206 CB THR A 18 13.622 -9.350 3.221 1.00 0.00 C ATOM 207 OG1 THR A 18 14.916 -8.828 3.562 1.00 0.00 O ATOM 208 CG2 THR A 18 13.759 -10.793 2.749 1.00 0.00 C ATOM 0 H THR A 18 11.528 -9.064 0.742 1.00 0.00 H new ATOM 0 HA THR A 18 12.801 -7.475 2.577 1.00 0.00 H new ATOM 0 HB THR A 18 12.982 -9.338 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.268 -8.309 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.233 -11.388 3.530 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.771 -11.200 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.371 -10.824 1.847 1.00 0.00 H new ATOM 216 N SER A 19 13.395 -8.881 -0.215 1.00 0.00 N ATOM 217 CA SER A 19 14.136 -8.786 -1.467 1.00 0.00 C ATOM 218 C SER A 19 13.946 -7.411 -2.087 1.00 0.00 C ATOM 219 O SER A 19 14.768 -6.949 -2.876 1.00 0.00 O ATOM 220 CB SER A 19 13.675 -9.874 -2.443 1.00 0.00 C ATOM 221 OG SER A 19 14.442 -9.863 -3.634 1.00 0.00 O ATOM 0 H SER A 19 12.505 -9.373 -0.290 1.00 0.00 H new ATOM 0 HA SER A 19 15.195 -8.933 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.757 -10.851 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.623 -9.725 -2.685 1.00 0.00 H new ATOM 0 HG SER A 19 14.124 -10.569 -4.234 1.00 0.00 H new ATOM 227 N MET A 20 12.845 -6.768 -1.730 1.00 0.00 N ATOM 228 CA MET A 20 12.563 -5.421 -2.184 1.00 0.00 C ATOM 229 C MET A 20 11.633 -4.724 -1.207 1.00 0.00 C ATOM 230 O MET A 20 10.461 -4.487 -1.497 1.00 0.00 O ATOM 231 CB MET A 20 11.963 -5.406 -3.594 1.00 0.00 C ATOM 232 CG MET A 20 10.809 -6.371 -3.794 1.00 0.00 C ATOM 233 SD MET A 20 9.955 -6.107 -5.361 1.00 0.00 S ATOM 234 CE MET A 20 11.337 -6.084 -6.501 1.00 0.00 C ATOM 0 H MET A 20 12.128 -7.164 -1.122 1.00 0.00 H new ATOM 0 HA MET A 20 13.510 -4.882 -2.227 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.620 -4.396 -3.819 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.748 -5.643 -4.312 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.184 -7.394 -3.755 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.100 -6.260 -2.974 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.971 -6.215 -7.519 1.00 0.00 H new ATOM 0 HE2 MET A 20 11.858 -5.130 -6.422 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.024 -6.894 -6.256 1.00 0.00 H new ATOM 244 N THR A 21 12.159 -4.416 -0.040 1.00 0.00 N ATOM 245 CA THR A 21 11.427 -3.633 0.925 1.00 0.00 C ATOM 246 C THR A 21 11.505 -2.174 0.512 1.00 0.00 C ATOM 247 O THR A 21 12.588 -1.622 0.348 1.00 0.00 O ATOM 248 CB THR A 21 11.987 -3.828 2.350 1.00 0.00 C ATOM 249 OG1 THR A 21 11.792 -5.189 2.761 1.00 0.00 O ATOM 250 CG2 THR A 21 11.314 -2.887 3.343 1.00 0.00 C ATOM 0 H THR A 21 13.092 -4.698 0.261 1.00 0.00 H new ATOM 0 HA THR A 21 10.388 -3.962 0.945 1.00 0.00 H new ATOM 0 HB THR A 21 13.052 -3.596 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.149 -5.312 3.665 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.730 -3.049 4.337 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.488 -1.854 3.041 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.242 -3.084 3.362 1.00 0.00 H new ATOM 258 N GLU A 22 10.359 -1.576 0.282 1.00 0.00 N ATOM 259 CA GLU A 22 10.309 -0.218 -0.219 1.00 0.00 C ATOM 260 C GLU A 22 9.969 0.738 0.912 1.00 0.00 C ATOM 261 O GLU A 22 8.905 0.613 1.515 1.00 0.00 O ATOM 262 CB GLU A 22 9.233 -0.123 -1.303 1.00 0.00 C ATOM 263 CG GLU A 22 9.456 0.979 -2.320 1.00 0.00 C ATOM 264 CD GLU A 22 10.466 0.584 -3.373 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.100 -0.170 -4.299 1.00 0.00 O ATOM 266 OE2 GLU A 22 11.629 1.013 -3.276 1.00 0.00 O ATOM 0 H GLU A 22 9.447 -2.007 0.433 1.00 0.00 H new ATOM 0 HA GLU A 22 11.280 0.050 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.179 -1.077 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.266 0.033 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.509 1.225 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.798 1.879 -1.810 1.00 0.00 H new ATOM 273 N GLU A 23 10.856 1.674 1.227 1.00 0.00 N ATOM 274 CA GLU A 23 10.486 2.723 2.155 1.00 0.00 C ATOM 275 C GLU A 23 9.994 3.920 1.362 1.00 0.00 C ATOM 276 O GLU A 23 10.775 4.633 0.723 1.00 0.00 O ATOM 277 CB GLU A 23 11.660 3.116 3.054 1.00 0.00 C ATOM 278 CG GLU A 23 11.236 3.825 4.329 1.00 0.00 C ATOM 279 CD GLU A 23 10.560 2.892 5.313 1.00 0.00 C ATOM 280 OE1 GLU A 23 9.330 2.707 5.226 1.00 0.00 O ATOM 281 OE2 GLU A 23 11.263 2.339 6.188 1.00 0.00 O ATOM 0 H GLU A 23 11.808 1.726 0.864 1.00 0.00 H new ATOM 0 HA GLU A 23 9.693 2.358 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.223 2.220 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.335 3.764 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.111 4.273 4.800 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.556 4.640 4.079 1.00 0.00 H new ATOM 288 N TYR A 24 8.692 4.118 1.382 1.00 0.00 N ATOM 289 CA TYR A 24 8.063 5.125 0.557 1.00 0.00 C ATOM 290 C TYR A 24 7.933 6.440 1.298 1.00 0.00 C ATOM 291 O TYR A 24 7.220 6.531 2.298 1.00 0.00 O ATOM 292 CB TYR A 24 6.683 4.648 0.114 1.00 0.00 C ATOM 293 CG TYR A 24 6.557 4.471 -1.376 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.161 5.524 -2.185 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.832 3.251 -1.974 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.042 5.369 -3.549 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.717 3.084 -3.338 1.00 0.00 C ATOM 298 CZ TYR A 24 6.322 4.144 -4.123 1.00 0.00 C ATOM 299 OH TYR A 24 6.205 3.977 -5.482 1.00 0.00 O ATOM 0 H TYR A 24 8.045 3.589 1.967 1.00 0.00 H new ATOM 0 HA TYR A 24 8.694 5.285 -0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.460 3.700 0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.934 5.365 0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.942 6.483 -1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.142 2.417 -1.361 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.732 6.200 -4.165 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.936 2.127 -3.788 1.00 0.00 H new ATOM 0 HH TYR A 24 6.440 3.056 -5.720 1.00 0.00 H new ATOM 309 N ARG A 25 8.632 7.453 0.810 1.00 0.00 N ATOM 310 CA ARG A 25 8.459 8.794 1.330 1.00 0.00 C ATOM 311 C ARG A 25 7.233 9.418 0.682 1.00 0.00 C ATOM 312 O ARG A 25 7.287 9.883 -0.460 1.00 0.00 O ATOM 313 CB ARG A 25 9.683 9.669 1.058 1.00 0.00 C ATOM 314 CG ARG A 25 11.004 9.059 1.470 1.00 0.00 C ATOM 315 CD ARG A 25 12.147 10.044 1.257 1.00 0.00 C ATOM 316 NE ARG A 25 12.360 10.372 -0.154 1.00 0.00 N ATOM 317 CZ ARG A 25 12.057 11.551 -0.708 1.00 0.00 C ATOM 318 NH1 ARG A 25 11.396 12.477 -0.021 1.00 0.00 N ATOM 319 NH2 ARG A 25 12.397 11.797 -1.963 1.00 0.00 N ATOM 0 H ARG A 25 9.319 7.370 0.060 1.00 0.00 H new ATOM 0 HA ARG A 25 8.331 8.730 2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.720 9.896 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.558 10.617 1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.962 8.765 2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.187 8.153 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.939 10.960 1.810 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.064 9.624 1.670 1.00 0.00 H new ATOM 0 HE ARG A 25 12.766 9.654 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.113 12.293 0.942 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.172 13.372 -0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.889 11.088 -2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.167 12.696 -2.387 1.00 0.00 H new ATOM 333 N VAL A 26 6.127 9.383 1.397 1.00 0.00 N ATOM 334 CA VAL A 26 4.878 9.929 0.907 1.00 0.00 C ATOM 335 C VAL A 26 4.537 11.215 1.652 1.00 0.00 C ATOM 336 O VAL A 26 4.351 11.213 2.869 1.00 0.00 O ATOM 337 CB VAL A 26 3.729 8.897 1.021 1.00 0.00 C ATOM 338 CG1 VAL A 26 3.843 8.101 2.305 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.367 9.571 0.929 1.00 0.00 C ATOM 0 H VAL A 26 6.069 8.977 2.331 1.00 0.00 H new ATOM 0 HA VAL A 26 4.999 10.164 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 26 3.820 8.209 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.025 7.383 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.794 7.569 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.792 8.777 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.582 8.819 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.264 10.294 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.278 10.083 -0.029 1.00 0.00 H new ATOM 349 N PRO A 27 4.489 12.335 0.916 1.00 0.00 N ATOM 350 CA PRO A 27 4.227 13.660 1.484 1.00 0.00 C ATOM 351 C PRO A 27 2.989 13.680 2.371 1.00 0.00 C ATOM 352 O PRO A 27 1.984 13.059 2.036 1.00 0.00 O ATOM 353 CB PRO A 27 4.016 14.543 0.256 1.00 0.00 C ATOM 354 CG PRO A 27 4.742 13.853 -0.847 1.00 0.00 C ATOM 355 CD PRO A 27 4.694 12.385 -0.539 1.00 0.00 C ATOM 0 HA PRO A 27 5.042 13.990 2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.956 14.650 0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.409 15.546 0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.275 14.063 -1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.773 14.202 -0.911 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.883 11.891 -1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.618 11.885 -0.830 1.00 0.00 H new ATOM 363 N ASP A 28 3.070 14.381 3.492 1.00 0.00 N ATOM 364 CA ASP A 28 2.048 14.312 4.540 1.00 0.00 C ATOM 365 C ASP A 28 0.627 14.511 3.984 1.00 0.00 C ATOM 366 O ASP A 28 -0.277 13.710 4.256 1.00 0.00 O ATOM 367 CB ASP A 28 2.363 15.344 5.624 1.00 0.00 C ATOM 368 CG ASP A 28 1.443 15.231 6.824 1.00 0.00 C ATOM 369 OD1 ASP A 28 0.378 15.873 6.826 1.00 0.00 O ATOM 370 OD2 ASP A 28 1.794 14.505 7.783 1.00 0.00 O ATOM 0 H ASP A 28 3.841 15.013 3.706 1.00 0.00 H new ATOM 0 HA ASP A 28 2.072 13.312 4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.396 15.219 5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.281 16.345 5.201 1.00 0.00 H new ATOM 375 N GLY A 29 0.446 15.548 3.172 1.00 0.00 N ATOM 376 CA GLY A 29 -0.851 15.805 2.567 1.00 0.00 C ATOM 377 C GLY A 29 -1.257 14.715 1.589 1.00 0.00 C ATOM 378 O GLY A 29 -2.445 14.432 1.399 1.00 0.00 O ATOM 0 H GLY A 29 1.175 16.216 2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.605 15.887 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.824 16.764 2.049 1.00 0.00 H new ATOM 382 N MET A 30 -0.263 14.073 0.990 1.00 0.00 N ATOM 383 CA MET A 30 -0.517 12.994 0.051 1.00 0.00 C ATOM 384 C MET A 30 -0.843 11.722 0.818 1.00 0.00 C ATOM 385 O MET A 30 -1.269 10.731 0.238 1.00 0.00 O ATOM 386 CB MET A 30 0.683 12.756 -0.871 1.00 0.00 C ATOM 387 CG MET A 30 1.098 13.974 -1.682 1.00 0.00 C ATOM 388 SD MET A 30 -0.260 14.693 -2.624 1.00 0.00 S ATOM 389 CE MET A 30 -0.659 13.358 -3.746 1.00 0.00 C ATOM 0 H MET A 30 0.724 14.282 1.139 1.00 0.00 H new ATOM 0 HA MET A 30 -1.364 13.278 -0.574 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.530 12.429 -0.269 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.445 11.942 -1.555 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.506 14.729 -1.010 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.898 13.692 -2.367 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.964 13.770 -4.708 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.217 12.725 -3.884 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.474 12.765 -3.331 1.00 0.00 H new ATOM 399 N VAL A 31 -0.633 11.760 2.128 1.00 0.00 N ATOM 400 CA VAL A 31 -1.054 10.676 2.998 1.00 0.00 C ATOM 401 C VAL A 31 -2.549 10.778 3.219 1.00 0.00 C ATOM 402 O VAL A 31 -3.265 9.779 3.202 1.00 0.00 O ATOM 403 CB VAL A 31 -0.339 10.712 4.358 1.00 0.00 C ATOM 404 CG1 VAL A 31 -0.706 9.499 5.196 1.00 0.00 C ATOM 405 CG2 VAL A 31 1.158 10.795 4.162 1.00 0.00 C ATOM 0 H VAL A 31 -0.173 12.533 2.609 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.793 9.735 2.513 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.668 11.602 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.187 9.548 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.782 9.487 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.412 8.591 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.651 10.820 5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.501 9.924 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.403 11.701 3.608 1.00 0.00 H new ATOM 415 N GLY A 32 -3.018 12.003 3.408 1.00 0.00 N ATOM 416 CA GLY A 32 -4.446 12.237 3.462 1.00 0.00 C ATOM 417 C GLY A 32 -5.125 11.819 2.170 1.00 0.00 C ATOM 418 O GLY A 32 -6.306 11.475 2.156 1.00 0.00 O ATOM 0 H GLY A 32 -2.439 12.835 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.876 11.683 4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.636 13.294 3.649 1.00 0.00 H new ATOM 422 N LEU A 33 -4.374 11.860 1.077 1.00 0.00 N ATOM 423 CA LEU A 33 -4.887 11.421 -0.215 1.00 0.00 C ATOM 424 C LEU A 33 -4.660 9.922 -0.466 1.00 0.00 C ATOM 425 O LEU A 33 -5.411 9.309 -1.220 1.00 0.00 O ATOM 426 CB LEU A 33 -4.254 12.241 -1.338 1.00 0.00 C ATOM 427 CG LEU A 33 -4.616 13.726 -1.328 1.00 0.00 C ATOM 428 CD1 LEU A 33 -3.891 14.455 -2.444 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.120 13.908 -1.468 1.00 0.00 C ATOM 0 H LEU A 33 -3.410 12.192 1.059 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.965 11.583 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.170 12.145 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.555 11.814 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.303 14.151 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.160 15.511 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.815 14.351 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.177 14.027 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.360 14.971 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.454 13.469 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.625 13.415 -0.637 1.00 0.00 H new ATOM 441 N ILE A 34 -3.640 9.328 0.157 1.00 0.00 N ATOM 442 CA ILE A 34 -3.356 7.904 -0.053 1.00 0.00 C ATOM 443 C ILE A 34 -4.415 7.059 0.647 1.00 0.00 C ATOM 444 O ILE A 34 -4.716 5.936 0.238 1.00 0.00 O ATOM 445 CB ILE A 34 -1.935 7.490 0.432 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.568 6.100 -0.089 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.836 7.503 1.949 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.552 6.007 -1.597 1.00 0.00 C ATOM 0 H ILE A 34 -3.005 9.800 0.801 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.385 7.727 -1.128 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.234 8.223 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.586 5.824 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.279 5.374 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.831 7.209 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.047 8.506 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.559 6.803 2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.284 4.994 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.540 6.251 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.820 6.709 -1.997 1.00 0.00 H new ATOM 460 N ILE A 35 -4.983 7.622 1.700 1.00 0.00 N ATOM 461 CA ILE A 35 -6.104 7.005 2.389 1.00 0.00 C ATOM 462 C ILE A 35 -7.409 7.361 1.690 1.00 0.00 C ATOM 463 O ILE A 35 -8.451 6.746 1.942 1.00 0.00 O ATOM 464 CB ILE A 35 -6.168 7.424 3.869 1.00 0.00 C ATOM 465 CG1 ILE A 35 -6.102 8.946 4.006 1.00 0.00 C ATOM 466 CG2 ILE A 35 -5.051 6.754 4.650 1.00 0.00 C ATOM 467 CD1 ILE A 35 -6.121 9.436 5.439 1.00 0.00 C ATOM 0 H ILE A 35 -4.684 8.512 2.099 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.956 5.926 2.356 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.121 7.097 4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.194 9.305 3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.944 9.386 3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.105 7.057 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.157 5.671 4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.088 7.052 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.071 10.525 5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.041 9.109 5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.264 9.027 5.975 1.00 0.00 H new ATOM 479 N GLY A 36 -7.333 8.372 0.823 1.00 0.00 N ATOM 480 CA GLY A 36 -8.451 8.768 -0.017 1.00 0.00 C ATOM 481 C GLY A 36 -9.654 9.255 0.763 1.00 0.00 C ATOM 482 O GLY A 36 -9.766 10.434 1.081 1.00 0.00 O ATOM 0 H GLY A 36 -6.493 8.935 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.124 9.557 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.748 7.921 -0.635 1.00 0.00 H new ATOM 486 N ARG A 37 -10.540 8.323 1.082 1.00 0.00 N ATOM 487 CA ARG A 37 -11.780 8.619 1.794 1.00 0.00 C ATOM 488 C ARG A 37 -11.529 8.890 3.278 1.00 0.00 C ATOM 489 O ARG A 37 -12.467 8.956 4.071 1.00 0.00 O ATOM 490 CB ARG A 37 -12.760 7.451 1.648 1.00 0.00 C ATOM 491 CG ARG A 37 -12.138 6.095 1.947 1.00 0.00 C ATOM 492 CD ARG A 37 -11.685 5.392 0.675 1.00 0.00 C ATOM 493 NE ARG A 37 -12.800 4.782 -0.045 1.00 0.00 N ATOM 494 CZ ARG A 37 -12.867 4.665 -1.371 1.00 0.00 C ATOM 495 NH1 ARG A 37 -11.933 5.206 -2.143 1.00 0.00 N ATOM 496 NH2 ARG A 37 -13.894 4.034 -1.924 1.00 0.00 N ATOM 0 H ARG A 37 -10.421 7.336 0.855 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.207 9.519 1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.605 7.610 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.156 7.444 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.286 6.224 2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.861 5.470 2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.183 6.109 0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.954 4.624 0.927 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.580 4.421 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.156 5.716 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.992 5.112 -3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.628 3.641 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.950 3.942 -2.938 1.00 0.00 H new ATOM 510 N GLY A 38 -10.264 9.031 3.647 1.00 0.00 N ATOM 511 CA GLY A 38 -9.923 9.340 5.022 1.00 0.00 C ATOM 512 C GLY A 38 -9.331 8.160 5.768 1.00 0.00 C ATOM 513 O GLY A 38 -9.100 8.237 6.975 1.00 0.00 O ATOM 0 H GLY A 38 -9.466 8.937 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.211 10.166 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.817 9.681 5.544 1.00 0.00 H new ATOM 517 N GLY A 39 -9.083 7.061 5.067 1.00 0.00 N ATOM 518 CA GLY A 39 -8.431 5.935 5.705 1.00 0.00 C ATOM 519 C GLY A 39 -8.752 4.607 5.057 1.00 0.00 C ATOM 520 O GLY A 39 -7.854 3.811 4.799 1.00 0.00 O ATOM 0 H GLY A 39 -9.318 6.930 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.352 6.090 5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.727 5.900 6.753 1.00 0.00 H new ATOM 524 N GLU A 40 -10.031 4.381 4.783 1.00 0.00 N ATOM 525 CA GLU A 40 -10.514 3.104 4.250 1.00 0.00 C ATOM 526 C GLU A 40 -9.686 2.596 3.062 1.00 0.00 C ATOM 527 O GLU A 40 -9.431 1.396 2.954 1.00 0.00 O ATOM 528 CB GLU A 40 -11.978 3.243 3.823 1.00 0.00 C ATOM 529 CG GLU A 40 -12.551 1.993 3.174 1.00 0.00 C ATOM 530 CD GLU A 40 -13.880 2.240 2.497 1.00 0.00 C ATOM 531 OE1 GLU A 40 -14.919 2.174 3.179 1.00 0.00 O ATOM 532 OE2 GLU A 40 -13.893 2.487 1.270 1.00 0.00 O ATOM 0 H GLU A 40 -10.766 5.075 4.922 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.413 2.371 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.579 3.495 4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.065 4.076 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.840 1.612 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.673 1.219 3.932 1.00 0.00 H new ATOM 539 N GLN A 41 -9.251 3.504 2.191 1.00 0.00 N ATOM 540 CA GLN A 41 -8.651 3.100 0.923 1.00 0.00 C ATOM 541 C GLN A 41 -7.387 2.267 1.119 1.00 0.00 C ATOM 542 O GLN A 41 -7.223 1.240 0.463 1.00 0.00 O ATOM 543 CB GLN A 41 -8.334 4.306 0.046 1.00 0.00 C ATOM 544 CG GLN A 41 -7.978 3.923 -1.379 1.00 0.00 C ATOM 545 CD GLN A 41 -7.568 5.112 -2.216 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.390 5.742 -2.878 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.290 5.431 -2.179 1.00 0.00 N ATOM 0 H GLN A 41 -9.302 4.512 2.338 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.394 2.479 0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.194 4.975 0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.505 4.861 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.165 3.197 -1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.834 3.434 -1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.643 4.880 -1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.948 6.229 -2.714 1.00 0.00 H new ATOM 556 N ILE A 42 -6.496 2.695 2.014 1.00 0.00 N ATOM 557 CA ILE A 42 -5.241 1.976 2.204 1.00 0.00 C ATOM 558 C ILE A 42 -5.511 0.538 2.625 1.00 0.00 C ATOM 559 O ILE A 42 -4.997 -0.393 2.012 1.00 0.00 O ATOM 560 CB ILE A 42 -4.279 2.655 3.221 1.00 0.00 C ATOM 561 CG1 ILE A 42 -3.028 1.794 3.426 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.955 2.930 4.555 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.141 1.717 2.201 1.00 0.00 C ATOM 0 H ILE A 42 -6.617 3.517 2.605 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.735 1.994 1.239 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.989 3.618 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.451 2.198 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.332 0.786 3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.244 3.404 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.807 3.592 4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.299 1.991 4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.275 1.092 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.702 1.285 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.807 2.719 1.930 1.00 0.00 H new ATOM 575 N ASN A 43 -6.361 0.365 3.633 1.00 0.00 N ATOM 576 CA ASN A 43 -6.679 -0.962 4.149 1.00 0.00 C ATOM 577 C ASN A 43 -7.334 -1.803 3.072 1.00 0.00 C ATOM 578 O ASN A 43 -6.993 -2.964 2.896 1.00 0.00 O ATOM 579 CB ASN A 43 -7.594 -0.875 5.372 1.00 0.00 C ATOM 580 CG ASN A 43 -6.939 -0.155 6.534 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.719 -0.209 6.706 1.00 0.00 O ATOM 582 ND2 ASN A 43 -7.738 0.537 7.335 1.00 0.00 N ATOM 0 H ASN A 43 -6.842 1.128 4.109 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.745 -1.435 4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.513 -0.357 5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.876 -1.881 5.684 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.348 1.049 8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.743 0.557 7.160 1.00 0.00 H new ATOM 589 N LYS A 44 -8.254 -1.194 2.337 1.00 0.00 N ATOM 590 CA LYS A 44 -8.956 -1.872 1.256 1.00 0.00 C ATOM 591 C LYS A 44 -7.982 -2.391 0.199 1.00 0.00 C ATOM 592 O LYS A 44 -8.146 -3.493 -0.324 1.00 0.00 O ATOM 593 CB LYS A 44 -9.969 -0.910 0.624 1.00 0.00 C ATOM 594 CG LYS A 44 -10.797 -1.525 -0.493 1.00 0.00 C ATOM 595 CD LYS A 44 -12.061 -0.721 -0.758 1.00 0.00 C ATOM 596 CE LYS A 44 -13.046 -0.835 0.397 1.00 0.00 C ATOM 597 NZ LYS A 44 -14.255 0.004 0.187 1.00 0.00 N ATOM 0 H LYS A 44 -8.534 -0.222 2.472 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.481 -2.733 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.641 -0.545 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.436 -0.044 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.200 -1.577 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.064 -2.548 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.802 0.326 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.532 -1.073 -1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.345 -1.876 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.554 -0.536 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.011 -0.310 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.026 0.999 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.575 -0.089 -0.798 1.00 0.00 H new ATOM 611 N ILE A 45 -6.961 -1.601 -0.092 1.00 0.00 N ATOM 612 CA ILE A 45 -5.998 -1.945 -1.128 1.00 0.00 C ATOM 613 C ILE A 45 -4.941 -2.930 -0.617 1.00 0.00 C ATOM 614 O ILE A 45 -4.590 -3.888 -1.313 1.00 0.00 O ATOM 615 CB ILE A 45 -5.330 -0.673 -1.712 1.00 0.00 C ATOM 616 CG1 ILE A 45 -6.182 -0.093 -2.853 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.915 -0.964 -2.203 1.00 0.00 C ATOM 618 CD1 ILE A 45 -7.602 0.263 -2.467 1.00 0.00 C ATOM 0 H ILE A 45 -6.777 -0.714 0.376 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.547 -2.440 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.263 0.064 -0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.690 0.801 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.212 -0.816 -3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.475 -0.052 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.308 -1.323 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.950 -1.725 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.125 0.664 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.117 -0.630 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.587 1.012 -1.675 1.00 0.00 H new ATOM 630 N GLN A 46 -4.440 -2.713 0.595 1.00 0.00 N ATOM 631 CA GLN A 46 -3.411 -3.593 1.139 1.00 0.00 C ATOM 632 C GLN A 46 -4.014 -4.942 1.544 1.00 0.00 C ATOM 633 O GLN A 46 -3.332 -5.967 1.535 1.00 0.00 O ATOM 634 CB GLN A 46 -2.660 -2.930 2.307 1.00 0.00 C ATOM 635 CG GLN A 46 -3.533 -2.439 3.453 1.00 0.00 C ATOM 636 CD GLN A 46 -3.461 -3.317 4.683 1.00 0.00 C ATOM 637 OE1 GLN A 46 -3.270 -4.529 4.593 1.00 0.00 O ATOM 638 NE2 GLN A 46 -3.600 -2.705 5.849 1.00 0.00 N ATOM 0 H GLN A 46 -4.723 -1.950 1.210 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.676 -3.778 0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.938 -3.644 2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.092 -2.085 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.232 -1.426 3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.568 -2.385 3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.757 -1.698 5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.550 -3.241 6.715 1.00 0.00 H new ATOM 647 N GLN A 47 -5.300 -4.938 1.875 1.00 0.00 N ATOM 648 CA GLN A 47 -6.024 -6.170 2.169 1.00 0.00 C ATOM 649 C GLN A 47 -6.288 -6.922 0.869 1.00 0.00 C ATOM 650 O GLN A 47 -6.151 -8.146 0.803 1.00 0.00 O ATOM 651 CB GLN A 47 -7.340 -5.841 2.889 1.00 0.00 C ATOM 652 CG GLN A 47 -8.076 -7.039 3.474 1.00 0.00 C ATOM 653 CD GLN A 47 -8.899 -7.796 2.449 1.00 0.00 C ATOM 654 OE1 GLN A 47 -9.412 -7.217 1.491 1.00 0.00 O ATOM 655 NE2 GLN A 47 -9.037 -9.096 2.646 1.00 0.00 N ATOM 0 H GLN A 47 -5.865 -4.092 1.947 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.426 -6.803 2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.129 -5.136 3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.003 -5.335 2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.351 -7.719 3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.731 -6.698 4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.596 -9.539 3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.584 -9.656 1.992 1.00 0.00 H new ATOM 664 N ASP A 48 -6.659 -6.166 -0.161 1.00 0.00 N ATOM 665 CA ASP A 48 -6.896 -6.713 -1.496 1.00 0.00 C ATOM 666 C ASP A 48 -5.656 -7.415 -2.036 1.00 0.00 C ATOM 667 O ASP A 48 -5.719 -8.563 -2.473 1.00 0.00 O ATOM 668 CB ASP A 48 -7.309 -5.584 -2.446 1.00 0.00 C ATOM 669 CG ASP A 48 -7.203 -5.968 -3.913 1.00 0.00 C ATOM 670 OD1 ASP A 48 -8.147 -6.592 -4.448 1.00 0.00 O ATOM 671 OD2 ASP A 48 -6.177 -5.630 -4.543 1.00 0.00 O ATOM 0 H ASP A 48 -6.804 -5.158 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.696 -7.450 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.336 -5.291 -2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.682 -4.712 -2.259 1.00 0.00 H new ATOM 676 N SER A 49 -4.532 -6.722 -1.997 1.00 0.00 N ATOM 677 CA SER A 49 -3.292 -7.246 -2.546 1.00 0.00 C ATOM 678 C SER A 49 -2.688 -8.326 -1.651 1.00 0.00 C ATOM 679 O SER A 49 -2.130 -9.313 -2.137 1.00 0.00 O ATOM 680 CB SER A 49 -2.297 -6.106 -2.744 1.00 0.00 C ATOM 681 OG SER A 49 -2.200 -5.309 -1.574 1.00 0.00 O ATOM 0 H SER A 49 -4.451 -5.791 -1.589 1.00 0.00 H new ATOM 0 HA SER A 49 -3.516 -7.708 -3.508 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.317 -6.513 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.609 -5.487 -3.585 1.00 0.00 H new ATOM 0 HG SER A 49 -2.961 -4.693 -1.534 1.00 0.00 H new ATOM 687 N GLY A 50 -2.805 -8.136 -0.345 1.00 0.00 N ATOM 688 CA GLY A 50 -2.206 -9.060 0.598 1.00 0.00 C ATOM 689 C GLY A 50 -0.857 -8.569 1.076 1.00 0.00 C ATOM 690 O GLY A 50 -0.174 -9.239 1.849 1.00 0.00 O ATOM 0 H GLY A 50 -3.306 -7.356 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.870 -9.191 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.093 -10.038 0.129 1.00 0.00 H new ATOM 694 N CYS A 51 -0.476 -7.386 0.610 1.00 0.00 N ATOM 695 CA CYS A 51 0.794 -6.791 0.981 1.00 0.00 C ATOM 696 C CYS A 51 0.701 -6.148 2.354 1.00 0.00 C ATOM 697 O CYS A 51 -0.302 -5.526 2.701 1.00 0.00 O ATOM 698 CB CYS A 51 1.215 -5.755 -0.059 1.00 0.00 C ATOM 699 SG CYS A 51 2.787 -4.932 0.292 1.00 0.00 S ATOM 0 H CYS A 51 -1.035 -6.820 -0.029 1.00 0.00 H new ATOM 0 HA CYS A 51 1.547 -7.579 1.018 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.284 -6.243 -1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.434 -4.999 -0.137 1.00 0.00 H new ATOM 0 HG CYS A 51 3.287 -5.405 1.395 1.00 0.00 H new ATOM 705 N LYS A 52 1.754 -6.313 3.130 1.00 0.00 N ATOM 706 CA LYS A 52 1.829 -5.767 4.470 1.00 0.00 C ATOM 707 C LYS A 52 2.277 -4.315 4.396 1.00 0.00 C ATOM 708 O LYS A 52 3.433 -3.991 4.672 1.00 0.00 O ATOM 709 CB LYS A 52 2.815 -6.594 5.292 1.00 0.00 C ATOM 710 CG LYS A 52 2.638 -8.087 5.081 1.00 0.00 C ATOM 711 CD LYS A 52 3.943 -8.840 5.264 1.00 0.00 C ATOM 712 CE LYS A 52 3.904 -10.179 4.549 1.00 0.00 C ATOM 713 NZ LYS A 52 2.908 -11.107 5.148 1.00 0.00 N ATOM 0 H LYS A 52 2.585 -6.832 2.847 1.00 0.00 H new ATOM 0 HA LYS A 52 0.851 -5.807 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.833 -6.311 5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.686 -6.362 6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.897 -8.468 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.251 -8.269 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.769 -8.242 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.131 -8.996 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.664 -10.021 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.892 -10.637 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.916 -12.008 4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.150 -11.280 6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.960 -10.683 5.091 1.00 0.00 H new ATOM 727 N VAL A 53 1.359 -3.453 3.997 1.00 0.00 N ATOM 728 CA VAL A 53 1.659 -2.045 3.830 1.00 0.00 C ATOM 729 C VAL A 53 1.585 -1.345 5.174 1.00 0.00 C ATOM 730 O VAL A 53 0.513 -1.215 5.765 1.00 0.00 O ATOM 731 CB VAL A 53 0.684 -1.381 2.841 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.057 0.071 2.601 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.653 -2.144 1.530 1.00 0.00 C ATOM 0 H VAL A 53 0.395 -3.707 3.782 1.00 0.00 H new ATOM 0 HA VAL A 53 2.666 -1.956 3.424 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.313 -1.407 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.352 0.516 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.023 0.616 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.064 0.124 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.042 -1.660 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.650 -2.153 1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.328 -3.168 1.713 1.00 0.00 H new ATOM 743 N GLN A 54 2.735 -0.924 5.665 1.00 0.00 N ATOM 744 CA GLN A 54 2.825 -0.340 6.990 1.00 0.00 C ATOM 745 C GLN A 54 2.929 1.169 6.930 1.00 0.00 C ATOM 746 O GLN A 54 3.971 1.724 6.573 1.00 0.00 O ATOM 747 CB GLN A 54 4.011 -0.940 7.743 1.00 0.00 C ATOM 748 CG GLN A 54 3.775 -2.388 8.117 1.00 0.00 C ATOM 749 CD GLN A 54 2.659 -2.534 9.132 1.00 0.00 C ATOM 750 OE1 GLN A 54 2.907 -2.631 10.334 1.00 0.00 O ATOM 751 NE2 GLN A 54 1.421 -2.467 8.665 1.00 0.00 N ATOM 0 H GLN A 54 3.622 -0.976 5.165 1.00 0.00 H new ATOM 0 HA GLN A 54 1.907 -0.576 7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.906 -0.867 7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.198 -0.359 8.646 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.529 -2.959 7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.693 -2.813 8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.258 -2.387 7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.631 -2.495 9.309 1.00 0.00 H new ATOM 760 N ILE A 55 1.840 1.830 7.287 1.00 0.00 N ATOM 761 CA ILE A 55 1.814 3.277 7.319 1.00 0.00 C ATOM 762 C ILE A 55 2.449 3.767 8.617 1.00 0.00 C ATOM 763 O ILE A 55 1.860 3.632 9.688 1.00 0.00 O ATOM 764 CB ILE A 55 0.373 3.842 7.212 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.354 3.292 5.975 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.399 5.363 7.169 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.332 3.608 4.667 1.00 0.00 C ATOM 0 H ILE A 55 0.964 1.384 7.558 1.00 0.00 H new ATOM 0 HA ILE A 55 2.376 3.634 6.456 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.175 3.521 8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.447 2.210 6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.365 3.698 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.620 5.742 7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.862 5.745 8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.974 5.693 6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.243 3.186 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.401 4.689 4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.334 3.178 4.668 1.00 0.00 H new ATOM 779 N SER A 56 3.661 4.299 8.529 1.00 0.00 N ATOM 780 CA SER A 56 4.351 4.801 9.710 1.00 0.00 C ATOM 781 C SER A 56 4.207 6.316 9.814 1.00 0.00 C ATOM 782 O SER A 56 4.804 7.065 9.027 1.00 0.00 O ATOM 783 CB SER A 56 5.827 4.405 9.668 1.00 0.00 C ATOM 784 OG SER A 56 5.963 3.012 9.430 1.00 0.00 O ATOM 0 H SER A 56 4.184 4.394 7.658 1.00 0.00 H new ATOM 0 HA SER A 56 3.895 4.354 10.593 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.337 4.965 8.884 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.307 4.667 10.611 1.00 0.00 H new ATOM 0 HG SER A 56 6.914 2.776 9.404 1.00 0.00 H new ATOM 790 N PRO A 57 3.385 6.776 10.779 1.00 0.00 N ATOM 791 CA PRO A 57 3.139 8.201 11.022 1.00 0.00 C ATOM 792 C PRO A 57 4.405 8.944 11.424 1.00 0.00 C ATOM 793 O PRO A 57 4.609 10.096 11.044 1.00 0.00 O ATOM 794 CB PRO A 57 2.125 8.213 12.171 1.00 0.00 C ATOM 795 CG PRO A 57 2.236 6.871 12.806 1.00 0.00 C ATOM 796 CD PRO A 57 2.622 5.926 11.709 1.00 0.00 C ATOM 0 HA PRO A 57 2.781 8.705 10.124 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.349 9.006 12.885 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.115 8.392 11.802 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.984 6.875 13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.291 6.575 13.261 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.225 5.099 12.084 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.747 5.489 11.228 1.00 0.00 H new ATOM 804 N ASP A 58 5.251 8.286 12.202 1.00 0.00 N ATOM 805 CA ASP A 58 6.541 8.851 12.553 1.00 0.00 C ATOM 806 C ASP A 58 7.605 8.252 11.656 1.00 0.00 C ATOM 807 O ASP A 58 8.087 7.144 11.896 1.00 0.00 O ATOM 808 CB ASP A 58 6.881 8.599 14.021 1.00 0.00 C ATOM 809 CG ASP A 58 8.137 9.333 14.448 1.00 0.00 C ATOM 810 OD1 ASP A 58 8.057 10.556 14.696 1.00 0.00 O ATOM 811 OD2 ASP A 58 9.205 8.698 14.540 1.00 0.00 O ATOM 0 H ASP A 58 5.067 7.365 12.600 1.00 0.00 H new ATOM 0 HA ASP A 58 6.500 9.931 12.409 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.046 8.916 14.646 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.013 7.529 14.184 1.00 0.00 H new ATOM 816 N SER A 59 7.937 8.980 10.607 1.00 0.00 N ATOM 817 CA SER A 59 8.872 8.507 9.607 1.00 0.00 C ATOM 818 C SER A 59 10.295 8.464 10.153 1.00 0.00 C ATOM 819 O SER A 59 11.076 7.570 9.825 1.00 0.00 O ATOM 820 CB SER A 59 8.797 9.423 8.398 1.00 0.00 C ATOM 821 OG SER A 59 8.713 10.771 8.815 1.00 0.00 O ATOM 0 H SER A 59 7.567 9.913 10.425 1.00 0.00 H new ATOM 0 HA SER A 59 8.603 7.490 9.322 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.677 9.282 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.928 9.167 7.791 1.00 0.00 H new ATOM 0 HG SER A 59 8.095 11.257 8.230 1.00 0.00 H new ATOM 827 N GLY A 60 10.629 9.451 10.971 1.00 0.00 N ATOM 828 CA GLY A 60 11.926 9.478 11.603 1.00 0.00 C ATOM 829 C GLY A 60 12.984 10.099 10.717 1.00 0.00 C ATOM 830 O GLY A 60 13.417 11.228 10.951 1.00 0.00 O ATOM 0 H GLY A 60 10.021 10.235 11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.862 10.038 12.536 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.223 8.462 11.862 1.00 0.00 H new ATOM 834 N GLY A 61 13.389 9.369 9.687 1.00 0.00 N ATOM 835 CA GLY A 61 14.440 9.841 8.803 1.00 0.00 C ATOM 836 C GLY A 61 13.909 10.681 7.659 1.00 0.00 C ATOM 837 O GLY A 61 14.676 11.299 6.922 1.00 0.00 O ATOM 0 H GLY A 61 13.008 8.454 9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.156 10.428 9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.981 8.985 8.399 1.00 0.00 H new ATOM 841 N LEU A 62 12.598 10.708 7.515 1.00 0.00 N ATOM 842 CA LEU A 62 11.963 11.421 6.415 1.00 0.00 C ATOM 843 C LEU A 62 11.130 12.572 6.972 1.00 0.00 C ATOM 844 O LEU A 62 10.703 12.528 8.123 1.00 0.00 O ATOM 845 CB LEU A 62 11.078 10.451 5.618 1.00 0.00 C ATOM 846 CG LEU A 62 11.730 9.100 5.290 1.00 0.00 C ATOM 847 CD1 LEU A 62 10.752 8.172 4.591 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.983 9.289 4.450 1.00 0.00 C ATOM 0 H LEU A 62 11.946 10.243 8.147 1.00 0.00 H new ATOM 0 HA LEU A 62 12.724 11.828 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.164 10.269 6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.785 10.933 4.685 1.00 0.00 H new ATOM 0 HG LEU A 62 12.018 8.636 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.243 7.224 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.893 7.995 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.417 8.630 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.425 8.317 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.723 9.787 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.701 9.899 4.999 1.00 0.00 H new ATOM 860 N PRO A 63 10.923 13.641 6.186 1.00 0.00 N ATOM 861 CA PRO A 63 10.083 14.770 6.600 1.00 0.00 C ATOM 862 C PRO A 63 8.601 14.468 6.427 1.00 0.00 C ATOM 863 O PRO A 63 7.751 14.967 7.163 1.00 0.00 O ATOM 864 CB PRO A 63 10.499 15.873 5.635 1.00 0.00 C ATOM 865 CG PRO A 63 10.850 15.143 4.391 1.00 0.00 C ATOM 866 CD PRO A 63 11.504 13.859 4.842 1.00 0.00 C ATOM 0 HA PRO A 63 10.214 15.020 7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.690 16.583 5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.347 16.441 6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.962 14.941 3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.527 15.730 3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.279 13.033 4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.589 13.952 4.882 1.00 0.00 H new ATOM 874 N GLU A 64 8.306 13.657 5.431 1.00 0.00 N ATOM 875 CA GLU A 64 6.952 13.261 5.128 1.00 0.00 C ATOM 876 C GLU A 64 6.642 11.937 5.814 1.00 0.00 C ATOM 877 O GLU A 64 7.344 11.545 6.740 1.00 0.00 O ATOM 878 CB GLU A 64 6.787 13.142 3.616 1.00 0.00 C ATOM 879 CG GLU A 64 7.806 12.216 2.970 1.00 0.00 C ATOM 880 CD GLU A 64 8.745 12.933 2.023 1.00 0.00 C ATOM 881 OE1 GLU A 64 8.258 13.579 1.073 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.975 12.831 2.214 1.00 0.00 O ATOM 0 H GLU A 64 9.005 13.254 4.808 1.00 0.00 H new ATOM 0 HA GLU A 64 6.253 14.012 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.784 12.778 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.872 14.133 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.390 11.728 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.281 11.431 2.426 1.00 0.00 H new ATOM 889 N ARG A 65 5.610 11.250 5.361 1.00 0.00 N ATOM 890 CA ARG A 65 5.232 9.976 5.945 1.00 0.00 C ATOM 891 C ARG A 65 6.110 8.872 5.376 1.00 0.00 C ATOM 892 O ARG A 65 6.579 8.976 4.240 1.00 0.00 O ATOM 893 CB ARG A 65 3.769 9.677 5.633 1.00 0.00 C ATOM 894 CG ARG A 65 3.157 8.605 6.510 1.00 0.00 C ATOM 895 CD ARG A 65 2.858 9.142 7.898 1.00 0.00 C ATOM 896 NE ARG A 65 1.646 9.966 7.925 1.00 0.00 N ATOM 897 CZ ARG A 65 1.635 11.300 7.943 1.00 0.00 C ATOM 898 NH1 ARG A 65 2.765 11.989 8.002 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.482 11.951 7.933 1.00 0.00 N ATOM 0 H ARG A 65 5.017 11.553 4.589 1.00 0.00 H new ATOM 0 HA ARG A 65 5.366 10.025 7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.191 10.594 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.686 9.370 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.238 8.237 6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.838 7.757 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.744 8.309 8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.705 9.733 8.247 1.00 0.00 H new ATOM 0 HE ARG A 65 0.747 9.485 7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.659 11.500 8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.741 13.009 8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.396 11.433 7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.472 12.971 7.947 1.00 0.00 H new ATOM 913 N SER A 66 6.340 7.820 6.144 1.00 0.00 N ATOM 914 CA SER A 66 7.116 6.704 5.635 1.00 0.00 C ATOM 915 C SER A 66 6.267 5.446 5.616 1.00 0.00 C ATOM 916 O SER A 66 5.830 4.957 6.658 1.00 0.00 O ATOM 917 CB SER A 66 8.387 6.492 6.462 1.00 0.00 C ATOM 918 OG SER A 66 8.077 6.177 7.808 1.00 0.00 O ATOM 0 H SER A 66 6.008 7.716 7.103 1.00 0.00 H new ATOM 0 HA SER A 66 7.423 6.934 4.615 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.978 5.688 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.000 7.393 6.429 1.00 0.00 H new ATOM 0 HG SER A 66 8.848 5.741 8.228 1.00 0.00 H new ATOM 924 N VAL A 67 5.999 4.953 4.427 1.00 0.00 N ATOM 925 CA VAL A 67 5.221 3.743 4.262 1.00 0.00 C ATOM 926 C VAL A 67 6.129 2.599 3.864 1.00 0.00 C ATOM 927 O VAL A 67 6.837 2.686 2.865 1.00 0.00 O ATOM 928 CB VAL A 67 4.124 3.917 3.196 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.338 2.629 3.015 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.198 5.061 3.572 1.00 0.00 C ATOM 0 H VAL A 67 6.311 5.375 3.552 1.00 0.00 H new ATOM 0 HA VAL A 67 4.740 3.524 5.215 1.00 0.00 H new ATOM 0 HB VAL A 67 4.603 4.157 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.569 2.776 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.012 1.833 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.869 2.353 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.428 5.172 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.729 4.849 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.772 5.985 3.645 1.00 0.00 H new ATOM 940 N SER A 68 6.124 1.539 4.650 1.00 0.00 N ATOM 941 CA SER A 68 6.917 0.378 4.319 1.00 0.00 C ATOM 942 C SER A 68 6.133 -0.576 3.443 1.00 0.00 C ATOM 943 O SER A 68 5.019 -0.990 3.773 1.00 0.00 O ATOM 944 CB SER A 68 7.399 -0.347 5.561 1.00 0.00 C ATOM 945 OG SER A 68 8.255 0.479 6.337 1.00 0.00 O ATOM 0 H SER A 68 5.585 1.461 5.512 1.00 0.00 H new ATOM 0 HA SER A 68 7.790 0.733 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.543 -0.654 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.928 -1.255 5.273 1.00 0.00 H new ATOM 0 HG SER A 68 8.533 1.253 5.805 1.00 0.00 H new ATOM 951 N LEU A 69 6.726 -0.897 2.321 1.00 0.00 N ATOM 952 CA LEU A 69 6.133 -1.784 1.357 1.00 0.00 C ATOM 953 C LEU A 69 6.806 -3.148 1.405 1.00 0.00 C ATOM 954 O LEU A 69 7.974 -3.284 1.030 1.00 0.00 O ATOM 955 CB LEU A 69 6.289 -1.192 -0.037 1.00 0.00 C ATOM 956 CG LEU A 69 5.348 -0.036 -0.412 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.903 -0.503 -0.435 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.507 1.146 0.527 1.00 0.00 C ATOM 0 H LEU A 69 7.644 -0.545 2.050 1.00 0.00 H new ATOM 0 HA LEU A 69 5.076 -1.905 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.316 -0.842 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.148 -1.993 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 69 5.625 0.296 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.255 0.332 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.790 -1.300 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.625 -0.876 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.825 1.942 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.278 0.835 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.533 1.511 0.482 1.00 0.00 H new ATOM 970 N THR A 70 6.093 -4.147 1.899 1.00 0.00 N ATOM 971 CA THR A 70 6.608 -5.506 1.938 1.00 0.00 C ATOM 972 C THR A 70 5.455 -6.515 1.858 1.00 0.00 C ATOM 973 O THR A 70 4.374 -6.254 2.381 1.00 0.00 O ATOM 974 CB THR A 70 7.418 -5.753 3.226 1.00 0.00 C ATOM 975 OG1 THR A 70 8.410 -4.732 3.398 1.00 0.00 O ATOM 976 CG2 THR A 70 8.100 -7.100 3.162 1.00 0.00 C ATOM 0 H THR A 70 5.153 -4.042 2.280 1.00 0.00 H new ATOM 0 HA THR A 70 7.266 -5.639 1.080 1.00 0.00 H new ATOM 0 HB THR A 70 6.730 -5.732 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.915 -4.902 4.221 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.669 -7.263 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.349 -7.883 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.774 -7.126 2.306 1.00 0.00 H new ATOM 984 N GLY A 71 5.668 -7.648 1.194 1.00 0.00 N ATOM 985 CA GLY A 71 4.632 -8.663 1.115 1.00 0.00 C ATOM 986 C GLY A 71 4.995 -9.808 0.186 1.00 0.00 C ATOM 987 O GLY A 71 5.856 -10.630 0.498 1.00 0.00 O ATOM 0 H GLY A 71 6.536 -7.881 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.441 -9.058 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.705 -8.203 0.771 1.00 0.00 H new ATOM 991 N ALA A 72 4.341 -9.853 -0.961 1.00 0.00 N ATOM 992 CA ALA A 72 4.556 -10.911 -1.935 1.00 0.00 C ATOM 993 C ALA A 72 4.757 -10.297 -3.315 1.00 0.00 C ATOM 994 O ALA A 72 4.431 -9.128 -3.501 1.00 0.00 O ATOM 995 CB ALA A 72 3.373 -11.869 -1.931 1.00 0.00 C ATOM 0 H ALA A 72 3.648 -9.160 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 72 5.450 -11.476 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.542 -12.659 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.265 -12.310 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.464 -11.325 -2.187 1.00 0.00 H new ATOM 1001 N PRO A 73 5.286 -11.057 -4.298 1.00 0.00 N ATOM 1002 CA PRO A 73 5.584 -10.541 -5.643 1.00 0.00 C ATOM 1003 C PRO A 73 4.435 -9.735 -6.240 1.00 0.00 C ATOM 1004 O PRO A 73 4.627 -8.611 -6.707 1.00 0.00 O ATOM 1005 CB PRO A 73 5.849 -11.805 -6.480 1.00 0.00 C ATOM 1006 CG PRO A 73 5.495 -12.959 -5.601 1.00 0.00 C ATOM 1007 CD PRO A 73 5.655 -12.474 -4.190 1.00 0.00 C ATOM 0 HA PRO A 73 6.426 -9.849 -5.620 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.246 -11.806 -7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.893 -11.856 -6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.473 -13.290 -5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.146 -13.811 -5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.005 -13.011 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.676 -12.601 -3.830 1.00 0.00 H new ATOM 1015 N GLU A 74 3.242 -10.304 -6.205 1.00 0.00 N ATOM 1016 CA GLU A 74 2.076 -9.648 -6.772 1.00 0.00 C ATOM 1017 C GLU A 74 1.458 -8.676 -5.769 1.00 0.00 C ATOM 1018 O GLU A 74 0.895 -7.647 -6.148 1.00 0.00 O ATOM 1019 CB GLU A 74 1.054 -10.699 -7.203 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.138 -10.134 -7.951 1.00 0.00 C ATOM 1021 CD GLU A 74 -0.991 -11.220 -8.560 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -1.848 -11.779 -7.844 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -0.799 -11.531 -9.757 1.00 0.00 O ATOM 0 H GLU A 74 3.055 -11.217 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 74 2.385 -9.074 -7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.550 -11.435 -7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.697 -11.227 -6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.744 -9.537 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.212 -9.464 -8.737 1.00 0.00 H new ATOM 1030 N SER A 75 1.596 -8.990 -4.490 1.00 0.00 N ATOM 1031 CA SER A 75 0.980 -8.196 -3.440 1.00 0.00 C ATOM 1032 C SER A 75 1.685 -6.855 -3.289 1.00 0.00 C ATOM 1033 O SER A 75 1.046 -5.803 -3.262 1.00 0.00 O ATOM 1034 CB SER A 75 1.029 -8.966 -2.121 1.00 0.00 C ATOM 1035 OG SER A 75 0.473 -10.260 -2.273 1.00 0.00 O ATOM 0 H SER A 75 2.131 -9.791 -4.154 1.00 0.00 H new ATOM 0 HA SER A 75 -0.058 -8.005 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.061 -9.047 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.482 -8.418 -1.354 1.00 0.00 H new ATOM 0 HG SER A 75 -0.505 -10.196 -2.288 1.00 0.00 H new ATOM 1041 N VAL A 76 3.009 -6.899 -3.219 1.00 0.00 N ATOM 1042 CA VAL A 76 3.810 -5.701 -3.021 1.00 0.00 C ATOM 1043 C VAL A 76 3.753 -4.825 -4.273 1.00 0.00 C ATOM 1044 O VAL A 76 3.934 -3.613 -4.206 1.00 0.00 O ATOM 1045 CB VAL A 76 5.274 -6.067 -2.660 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.151 -6.203 -3.901 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.857 -5.066 -1.673 1.00 0.00 C ATOM 0 H VAL A 76 3.553 -7.758 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 76 3.398 -5.137 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 76 5.257 -7.044 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.167 -6.460 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.753 -6.988 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.161 -5.259 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.884 -5.345 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.844 -4.070 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.261 -5.066 -0.760 1.00 0.00 H new ATOM 1057 N GLN A 77 3.464 -5.456 -5.406 1.00 0.00 N ATOM 1058 CA GLN A 77 3.337 -4.750 -6.673 1.00 0.00 C ATOM 1059 C GLN A 77 2.081 -3.883 -6.673 1.00 0.00 C ATOM 1060 O GLN A 77 2.138 -2.692 -6.976 1.00 0.00 O ATOM 1061 CB GLN A 77 3.274 -5.752 -7.822 1.00 0.00 C ATOM 1062 CG GLN A 77 3.324 -5.111 -9.198 1.00 0.00 C ATOM 1063 CD GLN A 77 3.151 -6.125 -10.307 1.00 0.00 C ATOM 1064 OE1 GLN A 77 4.119 -6.730 -10.767 1.00 0.00 O ATOM 1065 NE2 GLN A 77 1.918 -6.314 -10.751 1.00 0.00 N ATOM 0 H GLN A 77 3.313 -6.463 -5.471 1.00 0.00 H new ATOM 0 HA GLN A 77 4.208 -4.107 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.104 -6.452 -7.727 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.356 -6.333 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.542 -4.355 -9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.277 -4.597 -9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.143 -5.792 -10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.743 -6.982 -11.502 1.00 0.00 H new ATOM 1074 N LYS A 78 0.956 -4.496 -6.321 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.329 -3.802 -6.263 1.00 0.00 C ATOM 1076 C LYS A 78 -0.294 -2.690 -5.215 1.00 0.00 C ATOM 1077 O LYS A 78 -0.808 -1.588 -5.435 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.443 -4.806 -5.938 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.836 -4.200 -5.881 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.302 -3.733 -7.248 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.711 -3.165 -7.192 1.00 0.00 C ATOM 1082 NZ LYS A 78 -5.719 -4.187 -6.788 1.00 0.00 N ATOM 0 H LYS A 78 0.907 -5.483 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.528 -3.348 -7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.434 -5.596 -6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.224 -5.275 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.538 -4.937 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.838 -3.358 -5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.617 -2.974 -7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.273 -4.568 -7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.737 -2.334 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.977 -2.763 -8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.675 -3.792 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.622 -5.028 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.564 -4.454 -5.795 1.00 0.00 H new ATOM 1096 N ALA A 79 0.324 -2.987 -4.080 1.00 0.00 N ATOM 1097 CA ALA A 79 0.464 -2.018 -3.006 1.00 0.00 C ATOM 1098 C ALA A 79 1.281 -0.814 -3.467 1.00 0.00 C ATOM 1099 O ALA A 79 0.894 0.335 -3.257 1.00 0.00 O ATOM 1100 CB ALA A 79 1.125 -2.667 -1.809 1.00 0.00 C ATOM 0 H ALA A 79 0.738 -3.898 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.529 -1.670 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.227 -1.935 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.514 -3.501 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.111 -3.034 -2.093 1.00 0.00 H new ATOM 1106 N LYS A 80 2.398 -1.088 -4.131 1.00 0.00 N ATOM 1107 CA LYS A 80 3.294 -0.033 -4.578 1.00 0.00 C ATOM 1108 C LYS A 80 2.710 0.681 -5.776 1.00 0.00 C ATOM 1109 O LYS A 80 3.100 1.794 -6.088 1.00 0.00 O ATOM 1110 CB LYS A 80 4.685 -0.566 -4.914 1.00 0.00 C ATOM 1111 CG LYS A 80 5.478 -1.012 -3.698 1.00 0.00 C ATOM 1112 CD LYS A 80 6.952 -1.180 -4.026 1.00 0.00 C ATOM 1113 CE LYS A 80 7.178 -2.238 -5.093 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.597 -2.279 -5.540 1.00 0.00 N ATOM 0 H LYS A 80 2.703 -2.031 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 80 3.401 0.671 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.586 -1.407 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.245 0.209 -5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.363 -0.280 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.077 -1.955 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.359 -0.228 -4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.496 -1.454 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.892 -3.215 -4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.533 -2.035 -5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.639 -2.163 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.127 -1.509 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.018 -3.193 -5.276 1.00 0.00 H new ATOM 1128 N MET A 81 1.798 0.014 -6.463 1.00 0.00 N ATOM 1129 CA MET A 81 1.058 0.622 -7.548 1.00 0.00 C ATOM 1130 C MET A 81 0.262 1.826 -7.037 1.00 0.00 C ATOM 1131 O MET A 81 0.294 2.900 -7.638 1.00 0.00 O ATOM 1132 CB MET A 81 0.147 -0.435 -8.176 1.00 0.00 C ATOM 1133 CG MET A 81 -1.152 0.107 -8.732 1.00 0.00 C ATOM 1134 SD MET A 81 -0.919 1.205 -10.150 1.00 0.00 S ATOM 1135 CE MET A 81 -0.141 0.091 -11.319 1.00 0.00 C ATOM 0 H MET A 81 1.553 -0.960 -6.283 1.00 0.00 H new ATOM 0 HA MET A 81 1.743 0.990 -8.312 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.690 -0.935 -8.978 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.081 -1.192 -7.426 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.789 -0.727 -9.027 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.679 0.647 -7.945 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.269 0.477 -12.330 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.922 0.011 -11.093 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.603 -0.894 -11.246 1.00 0.00 H new ATOM 1145 N MET A 82 -0.429 1.650 -5.912 1.00 0.00 N ATOM 1146 CA MET A 82 -1.196 2.747 -5.316 1.00 0.00 C ATOM 1147 C MET A 82 -0.275 3.801 -4.717 1.00 0.00 C ATOM 1148 O MET A 82 -0.534 4.999 -4.826 1.00 0.00 O ATOM 1149 CB MET A 82 -2.153 2.235 -4.241 1.00 0.00 C ATOM 1150 CG MET A 82 -3.344 1.479 -4.794 1.00 0.00 C ATOM 1151 SD MET A 82 -4.288 2.446 -5.987 1.00 0.00 S ATOM 1152 CE MET A 82 -5.591 1.286 -6.387 1.00 0.00 C ATOM 0 H MET A 82 -0.475 0.770 -5.398 1.00 0.00 H new ATOM 0 HA MET A 82 -1.779 3.201 -6.117 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.605 1.584 -3.560 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.512 3.081 -3.654 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.998 0.561 -5.269 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.997 1.186 -3.972 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.224 1.705 -7.169 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.152 0.352 -6.737 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.192 1.093 -5.498 1.00 0.00 H new ATOM 1162 N LEU A 83 0.798 3.349 -4.082 1.00 0.00 N ATOM 1163 CA LEU A 83 1.784 4.257 -3.511 1.00 0.00 C ATOM 1164 C LEU A 83 2.413 5.111 -4.605 1.00 0.00 C ATOM 1165 O LEU A 83 2.479 6.330 -4.484 1.00 0.00 O ATOM 1166 CB LEU A 83 2.867 3.480 -2.750 1.00 0.00 C ATOM 1167 CG LEU A 83 2.621 3.287 -1.246 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.572 4.632 -0.537 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.338 2.509 -0.992 1.00 0.00 C ATOM 0 H LEU A 83 1.008 2.360 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 83 1.275 4.912 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.974 2.498 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.817 3.998 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 83 3.452 2.708 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.397 4.476 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.520 5.152 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.764 5.233 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.192 2.389 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.493 3.053 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.409 1.527 -1.461 1.00 0.00 H new ATOM 1181 N ASP A 84 2.847 4.461 -5.675 1.00 0.00 N ATOM 1182 CA ASP A 84 3.429 5.148 -6.821 1.00 0.00 C ATOM 1183 C ASP A 84 2.445 6.159 -7.379 1.00 0.00 C ATOM 1184 O ASP A 84 2.796 7.304 -7.619 1.00 0.00 O ATOM 1185 CB ASP A 84 3.810 4.138 -7.907 1.00 0.00 C ATOM 1186 CG ASP A 84 4.431 4.787 -9.127 1.00 0.00 C ATOM 1187 OD1 ASP A 84 5.671 4.933 -9.159 1.00 0.00 O ATOM 1188 OD2 ASP A 84 3.683 5.138 -10.064 1.00 0.00 O ATOM 0 H ASP A 84 2.806 3.447 -5.774 1.00 0.00 H new ATOM 0 HA ASP A 84 4.328 5.671 -6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.510 3.413 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.921 3.585 -8.209 1.00 0.00 H new ATOM 1193 N ASP A 85 1.203 5.724 -7.546 1.00 0.00 N ATOM 1194 CA ASP A 85 0.129 6.569 -8.067 1.00 0.00 C ATOM 1195 C ASP A 85 0.108 7.936 -7.375 1.00 0.00 C ATOM 1196 O ASP A 85 0.259 8.980 -8.021 1.00 0.00 O ATOM 1197 CB ASP A 85 -1.213 5.854 -7.865 1.00 0.00 C ATOM 1198 CG ASP A 85 -2.388 6.564 -8.519 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.659 7.734 -8.185 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -3.066 5.935 -9.357 1.00 0.00 O ATOM 0 H ASP A 85 0.908 4.773 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 85 0.303 6.741 -9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.141 4.844 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.407 5.758 -6.797 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.036 7.919 -6.057 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.178 9.148 -5.287 1.00 0.00 C ATOM 1207 C ILE A 86 1.158 9.838 -5.044 1.00 0.00 C ATOM 1208 O ILE A 86 1.278 11.049 -5.201 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.886 8.886 -3.933 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.398 8.792 -4.134 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.553 9.958 -2.907 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.848 7.503 -4.784 1.00 0.00 C ATOM 0 H ILE A 86 -0.058 7.066 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.795 9.815 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.519 7.935 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.891 8.892 -3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.727 9.631 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.068 9.739 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.523 9.974 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.875 10.931 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.932 7.510 -4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.385 7.410 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.552 6.659 -4.162 1.00 0.00 H new ATOM 1224 N VAL A 87 2.163 9.076 -4.674 1.00 0.00 N ATOM 1225 CA VAL A 87 3.450 9.647 -4.315 1.00 0.00 C ATOM 1226 C VAL A 87 4.149 10.246 -5.539 1.00 0.00 C ATOM 1227 O VAL A 87 4.921 11.200 -5.420 1.00 0.00 O ATOM 1228 CB VAL A 87 4.331 8.589 -3.616 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.725 9.113 -3.327 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.670 8.154 -2.322 1.00 0.00 C ATOM 0 H VAL A 87 2.118 8.059 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 87 3.282 10.462 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 87 4.431 7.739 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.311 8.337 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.209 9.395 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.658 9.985 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.292 7.407 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.550 9.017 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.692 7.725 -2.539 1.00 0.00 H new ATOM 1240 N SER A 88 3.846 9.711 -6.713 1.00 0.00 N ATOM 1241 CA SER A 88 4.374 10.249 -7.961 1.00 0.00 C ATOM 1242 C SER A 88 3.608 11.507 -8.367 1.00 0.00 C ATOM 1243 O SER A 88 4.203 12.470 -8.856 1.00 0.00 O ATOM 1244 CB SER A 88 4.290 9.193 -9.067 1.00 0.00 C ATOM 1245 OG SER A 88 4.837 9.649 -10.292 1.00 0.00 O ATOM 0 H SER A 88 3.235 8.902 -6.829 1.00 0.00 H new ATOM 0 HA SER A 88 5.420 10.517 -7.811 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.818 8.294 -8.748 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.248 8.913 -9.220 1.00 0.00 H new ATOM 0 HG SER A 88 4.763 8.942 -10.967 1.00 0.00 H new ATOM 1251 N ARG A 89 2.290 11.508 -8.152 1.00 0.00 N ATOM 1252 CA ARG A 89 1.481 12.682 -8.470 1.00 0.00 C ATOM 1253 C ARG A 89 1.756 13.796 -7.460 1.00 0.00 C ATOM 1254 O ARG A 89 1.513 14.971 -7.731 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.023 12.349 -8.501 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.682 12.274 -7.128 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.198 12.294 -7.227 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.771 10.964 -7.426 1.00 0.00 N ATOM 1259 CZ ARG A 89 -4.012 10.630 -7.060 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -4.810 11.529 -6.488 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.451 9.397 -7.254 1.00 0.00 N ATOM 0 H ARG A 89 1.769 10.721 -7.765 1.00 0.00 H new ATOM 0 HA ARG A 89 1.763 13.020 -9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.537 13.104 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.161 11.394 -9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.363 11.363 -6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.347 13.113 -6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.611 12.730 -6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.495 12.940 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.191 10.251 -7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.475 12.479 -6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.756 11.268 -6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.842 8.700 -7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.398 9.143 -6.974 1.00 0.00 H new ATOM 1275 N GLY A 90 2.271 13.408 -6.297 1.00 0.00 N ATOM 1276 CA GLY A 90 2.597 14.368 -5.262 1.00 0.00 C ATOM 1277 C GLY A 90 3.995 14.928 -5.415 1.00 0.00 C ATOM 1278 O GLY A 90 4.183 15.993 -6.002 1.00 0.00 O ATOM 0 H GLY A 90 2.469 12.437 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.876 15.185 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.504 13.892 -4.286 1.00 0.00 H new ATOM 1282 N ARG A 91 4.986 14.199 -4.917 1.00 0.00 N ATOM 1283 CA ARG A 91 6.368 14.671 -4.952 1.00 0.00 C ATOM 1284 C ARG A 91 7.078 14.211 -6.223 1.00 0.00 C ATOM 1285 O ARG A 91 8.078 13.490 -6.171 1.00 0.00 O ATOM 1286 CB ARG A 91 7.149 14.206 -3.714 1.00 0.00 C ATOM 1287 CG ARG A 91 6.945 12.741 -3.367 1.00 0.00 C ATOM 1288 CD ARG A 91 8.099 12.193 -2.543 1.00 0.00 C ATOM 1289 NE ARG A 91 9.302 12.027 -3.359 1.00 0.00 N ATOM 1290 CZ ARG A 91 9.829 10.845 -3.674 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.334 9.730 -3.151 1.00 0.00 N ATOM 1292 NH2 ARG A 91 10.866 10.772 -4.496 1.00 0.00 N ATOM 0 H ARG A 91 4.862 13.283 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 91 6.336 15.761 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.211 14.385 -3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.852 14.815 -2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.014 12.625 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.844 12.160 -4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.310 12.868 -1.714 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.816 11.234 -2.109 1.00 0.00 H new ATOM 0 HE ARG A 91 9.765 12.867 -3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.546 9.776 -2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.741 8.827 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.265 11.624 -4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.265 9.864 -4.734 1.00 0.00 H new