USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 807 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 82 SER OG : rot 180:sc= -0.233 USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0.0586 USER MOD Set 2.1: A 8 GLN : amide:sc= -11.1! C(o=-11!,f=-12!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -144:sc= 0.0195 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -6:sc= 0.909 USER MOD Single : A 7 SER OG : rot 180:sc= -1.12 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.932 K(o=-0.93,f=-1.7!) USER MOD Single : A 18 ASN : amide:sc= -13.1! C(o=-13!,f=-16!) USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -0.038 (180deg=-0.265) USER MOD Single : A 40 TYR OH : rot -140:sc= -0.415 USER MOD Single : A 43 CYS SG : rot 83:sc= -2.94! USER MOD Single : A 44 SER OG : rot -47:sc= 1.16 USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= -0.0413 (180deg=-0.206) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 165:sc= -1.3 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -153:sc= -4.51! (180deg=-7.42!) USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0201) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -150:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.0234 X(o=0.023,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -150:sc= -0.183 (180deg=-0.849) USER MOD Single : A 74 THR OG1 : rot -93:sc= 1.18 USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= -1.29 (180deg=-1.87) USER MOD Single : A 78 TYR OH : rot 10:sc= -1.58 USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.095) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0967 K(o=-0.097,f=-1.4!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot -24:sc= -3.28! USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 5.056 8.901 -1.224 1.00 0.00 N ATOM 12 CA VAL A 2 3.861 8.075 -1.159 1.00 0.00 C ATOM 13 C VAL A 2 2.651 8.912 -1.561 1.00 0.00 C ATOM 14 O VAL A 2 2.571 10.095 -1.228 1.00 0.00 O ATOM 15 CB VAL A 2 3.664 7.474 0.251 1.00 0.00 C ATOM 16 CG1 VAL A 2 2.497 6.502 0.257 1.00 0.00 C ATOM 17 CG2 VAL A 2 4.937 6.780 0.713 1.00 0.00 C ATOM 0 HA VAL A 2 3.974 7.241 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 2 3.440 8.285 0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.373 6.089 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.586 7.025 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.693 5.694 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.783 6.362 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.188 5.979 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.753 7.501 0.745 1.00 0.00 H new ATOM 27 N LYS A 3 1.732 8.314 -2.309 1.00 0.00 N ATOM 28 CA LYS A 3 0.557 9.037 -2.785 1.00 0.00 C ATOM 29 C LYS A 3 -0.658 8.780 -1.920 1.00 0.00 C ATOM 30 O LYS A 3 -0.909 7.661 -1.497 1.00 0.00 O ATOM 31 CB LYS A 3 0.244 8.656 -4.230 1.00 0.00 C ATOM 32 CG LYS A 3 0.208 9.860 -5.140 1.00 0.00 C ATOM 33 CD LYS A 3 -0.810 9.712 -6.262 1.00 0.00 C ATOM 34 CE LYS A 3 -1.288 11.067 -6.760 1.00 0.00 C ATOM 35 NZ LYS A 3 -0.781 11.367 -8.128 1.00 0.00 N ATOM 0 H LYS A 3 1.776 7.337 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 3 0.792 10.100 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.995 7.953 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.717 8.144 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.029 10.748 -4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.197 10.016 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.366 9.155 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.662 9.132 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.378 11.088 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.957 11.844 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.129 12.299 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.259 11.372 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.118 10.640 -8.790 1.00 0.00 H new ATOM 49 N ILE A 4 -1.421 9.834 -1.679 1.00 0.00 N ATOM 50 CA ILE A 4 -2.632 9.722 -0.878 1.00 0.00 C ATOM 51 C ILE A 4 -3.841 10.145 -1.695 1.00 0.00 C ATOM 52 O ILE A 4 -3.990 11.321 -2.028 1.00 0.00 O ATOM 53 CB ILE A 4 -2.563 10.592 0.396 1.00 0.00 C ATOM 54 CG1 ILE A 4 -3.816 10.387 1.254 1.00 0.00 C ATOM 55 CG2 ILE A 4 -2.395 12.062 0.034 1.00 0.00 C ATOM 56 CD1 ILE A 4 -3.516 9.889 2.652 1.00 0.00 C ATOM 0 H ILE A 4 -1.226 10.774 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.723 8.678 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.694 10.282 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.359 11.330 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.475 9.675 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.349 12.658 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.474 12.194 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.242 12.387 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.449 9.766 3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.000 8.930 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.883 10.611 3.167 1.00 0.00 H new ATOM 68 N VAL A 5 -4.701 9.193 -2.025 1.00 0.00 N ATOM 69 CA VAL A 5 -5.877 9.503 -2.807 1.00 0.00 C ATOM 70 C VAL A 5 -7.066 9.823 -1.902 1.00 0.00 C ATOM 71 O VAL A 5 -7.214 9.243 -0.827 1.00 0.00 O ATOM 72 CB VAL A 5 -6.213 8.359 -3.782 1.00 0.00 C ATOM 73 CG1 VAL A 5 -4.954 7.604 -4.188 1.00 0.00 C ATOM 74 CG2 VAL A 5 -7.246 7.400 -3.201 1.00 0.00 C ATOM 0 H VAL A 5 -4.604 8.212 -1.765 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.660 10.391 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.650 8.813 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.217 6.801 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.261 8.289 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.482 7.181 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.454 6.609 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.858 6.961 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.166 7.944 -2.984 1.00 0.00 H new ATOM 84 N THR A 6 -7.897 10.769 -2.333 1.00 0.00 N ATOM 85 CA THR A 6 -9.054 11.184 -1.546 1.00 0.00 C ATOM 86 C THR A 6 -10.365 10.611 -2.081 1.00 0.00 C ATOM 87 O THR A 6 -11.443 11.021 -1.651 1.00 0.00 O ATOM 88 CB THR A 6 -9.168 12.719 -1.497 1.00 0.00 C ATOM 89 OG1 THR A 6 -10.391 13.102 -0.859 1.00 0.00 O ATOM 90 CG2 THR A 6 -9.115 13.312 -2.898 1.00 0.00 C ATOM 0 H THR A 6 -7.791 11.261 -3.220 1.00 0.00 H new ATOM 0 HA THR A 6 -8.891 10.790 -0.543 1.00 0.00 H new ATOM 0 HB THR A 6 -8.324 13.103 -0.924 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.933 12.304 -0.684 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.197 14.397 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.169 13.046 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.940 12.918 -3.491 1.00 0.00 H new ATOM 98 N SER A 7 -10.285 9.665 -3.013 1.00 0.00 N ATOM 99 CA SER A 7 -11.494 9.066 -3.573 1.00 0.00 C ATOM 100 C SER A 7 -11.401 7.543 -3.603 1.00 0.00 C ATOM 101 O SER A 7 -10.310 6.977 -3.679 1.00 0.00 O ATOM 102 CB SER A 7 -11.745 9.602 -4.985 1.00 0.00 C ATOM 103 OG SER A 7 -10.623 10.321 -5.468 1.00 0.00 O ATOM 0 H SER A 7 -9.411 9.301 -3.392 1.00 0.00 H new ATOM 0 HA SER A 7 -12.330 9.340 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.966 8.773 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.621 10.251 -4.980 1.00 0.00 H new ATOM 0 HG SER A 7 -10.810 10.650 -6.372 1.00 0.00 H new ATOM 109 N GLN A 8 -12.557 6.886 -3.547 1.00 0.00 N ATOM 110 CA GLN A 8 -12.608 5.425 -3.572 1.00 0.00 C ATOM 111 C GLN A 8 -12.263 4.895 -4.965 1.00 0.00 C ATOM 112 O GLN A 8 -11.410 4.020 -5.111 1.00 0.00 O ATOM 113 CB GLN A 8 -13.999 4.931 -3.112 1.00 0.00 C ATOM 114 CG GLN A 8 -14.563 3.755 -3.901 1.00 0.00 C ATOM 115 CD GLN A 8 -13.946 2.428 -3.505 1.00 0.00 C ATOM 116 OE1 GLN A 8 -14.633 1.410 -3.440 1.00 0.00 O ATOM 117 NE2 GLN A 8 -12.647 2.431 -3.233 1.00 0.00 N ATOM 0 H GLN A 8 -13.468 7.339 -3.484 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.863 5.037 -2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.937 4.647 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.702 5.762 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.642 3.707 -3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.396 3.924 -4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.114 3.298 -3.299 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.182 1.566 -2.958 1.00 0.00 H new ATOM 126 N SER A 9 -12.915 5.443 -5.980 1.00 0.00 N ATOM 127 CA SER A 9 -12.661 5.040 -7.356 1.00 0.00 C ATOM 128 C SER A 9 -11.219 5.351 -7.724 1.00 0.00 C ATOM 129 O SER A 9 -10.585 4.611 -8.471 1.00 0.00 O ATOM 130 CB SER A 9 -13.614 5.760 -8.311 1.00 0.00 C ATOM 131 OG SER A 9 -13.811 7.107 -7.917 1.00 0.00 O ATOM 0 H SER A 9 -13.624 6.169 -5.877 1.00 0.00 H new ATOM 0 HA SER A 9 -12.831 3.967 -7.444 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.211 5.729 -9.323 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.572 5.241 -8.333 1.00 0.00 H new ATOM 0 HG SER A 9 -14.423 7.545 -8.545 1.00 0.00 H new ATOM 137 N GLU A 10 -10.703 6.449 -7.179 1.00 0.00 N ATOM 138 CA GLU A 10 -9.328 6.851 -7.435 1.00 0.00 C ATOM 139 C GLU A 10 -8.373 5.763 -6.963 1.00 0.00 C ATOM 140 O GLU A 10 -7.394 5.445 -7.638 1.00 0.00 O ATOM 141 CB GLU A 10 -9.014 8.171 -6.729 1.00 0.00 C ATOM 142 CG GLU A 10 -7.673 8.767 -7.125 1.00 0.00 C ATOM 143 CD GLU A 10 -7.702 9.406 -8.499 1.00 0.00 C ATOM 144 OE1 GLU A 10 -8.446 8.909 -9.370 1.00 0.00 O ATOM 145 OE2 GLU A 10 -6.979 10.404 -8.705 1.00 0.00 O ATOM 0 H GLU A 10 -11.217 7.074 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.201 6.996 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.802 8.890 -6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.027 8.009 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.379 9.514 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.913 7.986 -7.108 1.00 0.00 H new ATOM 152 N PHE A 11 -8.676 5.181 -5.804 1.00 0.00 N ATOM 153 CA PHE A 11 -7.855 4.112 -5.252 1.00 0.00 C ATOM 154 C PHE A 11 -7.901 2.909 -6.173 1.00 0.00 C ATOM 155 O PHE A 11 -6.870 2.369 -6.561 1.00 0.00 O ATOM 156 CB PHE A 11 -8.375 3.725 -3.861 1.00 0.00 C ATOM 157 CG PHE A 11 -8.102 2.305 -3.463 1.00 0.00 C ATOM 158 CD1 PHE A 11 -6.805 1.846 -3.313 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.150 1.437 -3.226 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.562 0.541 -2.934 1.00 0.00 C ATOM 161 CE2 PHE A 11 -8.916 0.135 -2.844 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.622 -0.314 -2.697 1.00 0.00 C ATOM 0 H PHE A 11 -9.482 5.433 -5.232 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.825 4.456 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.925 4.388 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.451 3.896 -3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.976 2.514 -3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.166 1.784 -3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.547 0.189 -2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.745 -0.533 -2.660 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.436 -1.334 -2.396 1.00 0.00 H new ATOM 172 N ASP A 12 -9.114 2.515 -6.521 1.00 0.00 N ATOM 173 CA ASP A 12 -9.332 1.380 -7.410 1.00 0.00 C ATOM 174 C ASP A 12 -8.824 1.682 -8.811 1.00 0.00 C ATOM 175 O ASP A 12 -8.427 0.780 -9.550 1.00 0.00 O ATOM 176 CB ASP A 12 -10.818 1.053 -7.482 1.00 0.00 C ATOM 177 CG ASP A 12 -11.341 0.424 -6.206 1.00 0.00 C ATOM 178 OD1 ASP A 12 -11.125 -0.791 -6.011 1.00 0.00 O ATOM 179 OD2 ASP A 12 -11.964 1.146 -5.400 1.00 0.00 O ATOM 0 H ASP A 12 -9.971 2.966 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.782 0.528 -7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.377 1.966 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.997 0.375 -8.316 1.00 0.00 H new ATOM 184 N SER A 13 -8.855 2.956 -9.173 1.00 0.00 N ATOM 185 CA SER A 13 -8.414 3.387 -10.491 1.00 0.00 C ATOM 186 C SER A 13 -6.932 3.150 -10.662 1.00 0.00 C ATOM 187 O SER A 13 -6.485 2.652 -11.695 1.00 0.00 O ATOM 188 CB SER A 13 -8.727 4.866 -10.706 1.00 0.00 C ATOM 189 OG SER A 13 -8.447 5.260 -12.038 1.00 0.00 O ATOM 0 H SER A 13 -9.182 3.711 -8.570 1.00 0.00 H new ATOM 0 HA SER A 13 -8.953 2.799 -11.234 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.777 5.055 -10.481 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.139 5.469 -10.014 1.00 0.00 H new ATOM 0 HG SER A 13 -8.658 6.211 -12.149 1.00 0.00 H new ATOM 195 N ILE A 14 -6.169 3.503 -9.642 1.00 0.00 N ATOM 196 CA ILE A 14 -4.731 3.315 -9.689 1.00 0.00 C ATOM 197 C ILE A 14 -4.389 1.840 -9.828 1.00 0.00 C ATOM 198 O ILE A 14 -3.431 1.463 -10.501 1.00 0.00 O ATOM 199 CB ILE A 14 -4.074 3.840 -8.400 1.00 0.00 C ATOM 200 CG1 ILE A 14 -4.295 5.349 -8.232 1.00 0.00 C ATOM 201 CG2 ILE A 14 -2.591 3.507 -8.392 1.00 0.00 C ATOM 202 CD1 ILE A 14 -4.470 6.098 -9.534 1.00 0.00 C ATOM 0 H ILE A 14 -6.518 3.918 -8.778 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.356 3.868 -10.550 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.548 3.344 -7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.177 5.509 -7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.447 5.772 -7.694 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.138 3.884 -7.475 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.461 2.426 -8.443 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.109 3.972 -9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.621 7.157 -9.327 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.579 5.972 -10.149 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.336 5.705 -10.066 1.00 0.00 H new ATOM 214 N ILE A 15 -5.171 1.026 -9.155 1.00 0.00 N ATOM 215 CA ILE A 15 -4.962 -0.421 -9.151 1.00 0.00 C ATOM 216 C ILE A 15 -4.998 -1.015 -10.565 1.00 0.00 C ATOM 217 O ILE A 15 -4.183 -1.871 -10.909 1.00 0.00 O ATOM 218 CB ILE A 15 -6.019 -1.132 -8.268 1.00 0.00 C ATOM 219 CG1 ILE A 15 -6.184 -0.386 -6.958 1.00 0.00 C ATOM 220 CG2 ILE A 15 -5.605 -2.566 -7.969 1.00 0.00 C ATOM 221 CD1 ILE A 15 -4.900 -0.330 -6.173 1.00 0.00 C ATOM 0 H ILE A 15 -5.966 1.336 -8.596 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.968 -0.589 -8.736 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.962 -1.142 -8.815 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.530 0.628 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.954 -0.872 -6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.364 -3.042 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.503 -3.118 -8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.651 -2.567 -7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.066 0.213 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.567 -1.343 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.136 0.180 -6.760 1.00 0.00 H new ATOM 233 N SER A 16 -5.970 -0.581 -11.358 1.00 0.00 N ATOM 234 CA SER A 16 -6.163 -1.089 -12.726 1.00 0.00 C ATOM 235 C SER A 16 -5.350 -0.362 -13.815 1.00 0.00 C ATOM 236 O SER A 16 -5.130 -0.917 -14.891 1.00 0.00 O ATOM 237 CB SER A 16 -7.649 -1.034 -13.086 1.00 0.00 C ATOM 238 OG SER A 16 -8.261 -2.302 -12.920 1.00 0.00 O ATOM 0 H SER A 16 -6.648 0.129 -11.080 1.00 0.00 H new ATOM 0 HA SER A 16 -5.788 -2.112 -12.711 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.152 -0.299 -12.458 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.764 -0.703 -14.118 1.00 0.00 H new ATOM 0 HG SER A 16 -9.210 -2.240 -13.155 1.00 0.00 H new ATOM 244 N GLN A 17 -4.973 0.888 -13.573 1.00 0.00 N ATOM 245 CA GLN A 17 -4.266 1.687 -14.590 1.00 0.00 C ATOM 246 C GLN A 17 -2.755 1.461 -14.624 1.00 0.00 C ATOM 247 O GLN A 17 -2.031 2.215 -15.275 1.00 0.00 O ATOM 248 CB GLN A 17 -4.545 3.171 -14.366 1.00 0.00 C ATOM 249 CG GLN A 17 -5.518 3.786 -15.361 1.00 0.00 C ATOM 250 CD GLN A 17 -6.523 2.801 -15.934 1.00 0.00 C ATOM 251 OE1 GLN A 17 -6.239 2.099 -16.905 1.00 0.00 O ATOM 252 NE2 GLN A 17 -7.708 2.751 -15.336 1.00 0.00 N ATOM 0 H GLN A 17 -5.139 1.375 -12.692 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.652 1.353 -15.553 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.941 3.306 -13.359 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.603 3.716 -14.414 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.058 4.596 -14.872 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.952 4.229 -16.180 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.900 3.351 -14.534 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.426 2.112 -15.679 1.00 0.00 H new ATOM 261 N ASN A 18 -2.277 0.434 -13.947 1.00 0.00 N ATOM 262 CA ASN A 18 -0.847 0.137 -13.937 1.00 0.00 C ATOM 263 C ASN A 18 -0.599 -1.364 -13.749 1.00 0.00 C ATOM 264 O ASN A 18 -1.475 -2.091 -13.281 1.00 0.00 O ATOM 265 CB ASN A 18 -0.107 0.962 -12.866 1.00 0.00 C ATOM 266 CG ASN A 18 -1.013 1.549 -11.787 1.00 0.00 C ATOM 267 OD1 ASN A 18 -0.971 1.121 -10.640 1.00 0.00 O ATOM 268 ND2 ASN A 18 -1.814 2.555 -12.130 1.00 0.00 N ATOM 0 H ASN A 18 -2.849 -0.208 -13.398 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.443 0.425 -14.908 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.642 0.329 -12.390 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.428 1.775 -13.356 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.414 2.991 -11.430 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.828 2.890 -13.093 1.00 0.00 H new ATOM 275 N GLU A 19 0.593 -1.824 -14.138 1.00 0.00 N ATOM 276 CA GLU A 19 0.951 -3.243 -14.034 1.00 0.00 C ATOM 277 C GLU A 19 1.076 -3.688 -12.590 1.00 0.00 C ATOM 278 O GLU A 19 0.462 -4.675 -12.193 1.00 0.00 O ATOM 279 CB GLU A 19 2.255 -3.522 -14.784 1.00 0.00 C ATOM 280 CG GLU A 19 2.432 -4.980 -15.176 1.00 0.00 C ATOM 281 CD GLU A 19 3.049 -5.143 -16.552 1.00 0.00 C ATOM 282 OE1 GLU A 19 2.388 -4.776 -17.546 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.192 -5.638 -16.635 1.00 0.00 O ATOM 0 H GLU A 19 1.328 -1.234 -14.528 1.00 0.00 H new ATOM 0 HA GLU A 19 0.145 -3.817 -14.491 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.286 -2.906 -15.683 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.095 -3.218 -14.160 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.062 -5.477 -14.438 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.463 -5.478 -15.155 1.00 0.00 H new ATOM 290 N LEU A 20 1.849 -2.962 -11.795 1.00 0.00 N ATOM 291 CA LEU A 20 2.003 -3.314 -10.399 1.00 0.00 C ATOM 292 C LEU A 20 1.688 -2.108 -9.548 1.00 0.00 C ATOM 293 O LEU A 20 2.136 -0.997 -9.829 1.00 0.00 O ATOM 294 CB LEU A 20 3.413 -3.803 -10.106 1.00 0.00 C ATOM 295 CG LEU A 20 3.561 -4.665 -8.848 1.00 0.00 C ATOM 296 CD1 LEU A 20 2.513 -5.766 -8.817 1.00 0.00 C ATOM 297 CD2 LEU A 20 4.959 -5.259 -8.775 1.00 0.00 C ATOM 0 H LEU A 20 2.371 -2.137 -12.091 1.00 0.00 H new ATOM 0 HA LEU A 20 1.314 -4.125 -10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.766 -4.377 -10.963 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.068 -2.937 -10.011 1.00 0.00 H new ATOM 0 HG LEU A 20 3.407 -4.027 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.640 -6.364 -7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.518 -5.321 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.629 -6.404 -9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.049 -5.869 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.137 -5.879 -9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.695 -4.455 -8.743 1.00 0.00 H new ATOM 309 N VAL A 21 0.893 -2.328 -8.525 1.00 0.00 N ATOM 310 CA VAL A 21 0.491 -1.254 -7.649 1.00 0.00 C ATOM 311 C VAL A 21 0.664 -1.633 -6.207 1.00 0.00 C ATOM 312 O VAL A 21 0.058 -2.592 -5.731 1.00 0.00 O ATOM 313 CB VAL A 21 -0.974 -0.849 -7.885 1.00 0.00 C ATOM 314 CG1 VAL A 21 -1.204 0.591 -7.457 1.00 0.00 C ATOM 315 CG2 VAL A 21 -1.339 -1.041 -9.342 1.00 0.00 C ATOM 0 H VAL A 21 0.513 -3.242 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 21 1.136 -0.407 -7.880 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.617 -1.489 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.246 0.860 -7.631 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.974 0.697 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.557 1.250 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.378 -0.751 -9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.692 -0.422 -9.964 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.209 -2.088 -9.615 1.00 0.00 H new ATOM 325 N ILE A 22 1.462 -0.861 -5.491 1.00 0.00 N ATOM 326 CA ILE A 22 1.646 -1.139 -4.083 1.00 0.00 C ATOM 327 C ILE A 22 0.978 -0.038 -3.295 1.00 0.00 C ATOM 328 O ILE A 22 1.234 1.147 -3.501 1.00 0.00 O ATOM 329 CB ILE A 22 3.129 -1.254 -3.683 1.00 0.00 C ATOM 330 CG1 ILE A 22 3.279 -1.195 -2.158 1.00 0.00 C ATOM 331 CG2 ILE A 22 3.950 -0.164 -4.351 1.00 0.00 C ATOM 332 CD1 ILE A 22 2.387 -2.171 -1.420 1.00 0.00 C ATOM 0 H ILE A 22 1.979 -0.059 -5.851 1.00 0.00 H new ATOM 0 HA ILE A 22 1.196 -2.107 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 22 3.506 -2.218 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.318 -1.396 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.055 -0.184 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.995 -0.263 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.869 -0.259 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.577 0.813 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.548 -2.071 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.344 -1.957 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.626 -3.188 -1.730 1.00 0.00 H new ATOM 344 N VAL A 23 0.091 -0.451 -2.415 1.00 0.00 N ATOM 345 CA VAL A 23 -0.664 0.476 -1.607 1.00 0.00 C ATOM 346 C VAL A 23 -0.665 0.036 -0.167 1.00 0.00 C ATOM 347 O VAL A 23 -0.723 -1.157 0.131 1.00 0.00 O ATOM 348 CB VAL A 23 -2.115 0.608 -2.111 1.00 0.00 C ATOM 349 CG1 VAL A 23 -2.796 -0.748 -2.137 1.00 0.00 C ATOM 350 CG2 VAL A 23 -2.905 1.593 -1.257 1.00 0.00 C ATOM 0 H VAL A 23 -0.124 -1.433 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.183 1.451 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.085 0.997 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.819 -0.635 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.250 -1.416 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.808 -1.168 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.925 1.666 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.925 1.245 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.431 2.574 -1.300 1.00 0.00 H new ATOM 360 N ASP A 24 -0.595 0.998 0.724 1.00 0.00 N ATOM 361 CA ASP A 24 -0.583 0.696 2.132 1.00 0.00 C ATOM 362 C ASP A 24 -1.877 1.136 2.805 1.00 0.00 C ATOM 363 O ASP A 24 -2.115 2.325 3.017 1.00 0.00 O ATOM 364 CB ASP A 24 0.655 1.333 2.786 1.00 0.00 C ATOM 365 CG ASP A 24 0.344 2.355 3.865 1.00 0.00 C ATOM 366 OD1 ASP A 24 0.003 3.502 3.515 1.00 0.00 O ATOM 367 OD2 ASP A 24 0.450 2.010 5.059 1.00 0.00 O ATOM 0 H ASP A 24 -0.546 1.991 0.498 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.520 -0.384 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.268 0.543 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.253 1.813 2.011 1.00 0.00 H new ATOM 372 N PHE A 25 -2.686 0.155 3.183 1.00 0.00 N ATOM 373 CA PHE A 25 -3.921 0.423 3.895 1.00 0.00 C ATOM 374 C PHE A 25 -3.490 0.545 5.341 1.00 0.00 C ATOM 375 O PHE A 25 -2.947 -0.401 5.912 1.00 0.00 O ATOM 376 CB PHE A 25 -4.903 -0.732 3.660 1.00 0.00 C ATOM 377 CG PHE A 25 -5.107 -1.024 2.191 1.00 0.00 C ATOM 378 CD1 PHE A 25 -5.788 -0.128 1.381 1.00 0.00 C ATOM 379 CD2 PHE A 25 -4.599 -2.181 1.615 1.00 0.00 C ATOM 380 CE1 PHE A 25 -5.958 -0.376 0.028 1.00 0.00 C ATOM 381 CE2 PHE A 25 -4.770 -2.438 0.262 1.00 0.00 C ATOM 382 CZ PHE A 25 -5.448 -1.535 -0.537 1.00 0.00 C ATOM 0 H PHE A 25 -2.506 -0.833 3.007 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.442 1.323 3.568 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.532 -1.628 4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.863 -0.488 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.192 0.777 1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.064 -2.891 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.489 0.335 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.373 -3.345 -0.168 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.579 -1.731 -1.591 1.00 0.00 H new ATOM 392 N PHE A 26 -3.617 1.747 5.894 1.00 0.00 N ATOM 393 CA PHE A 26 -3.109 2.005 7.227 1.00 0.00 C ATOM 394 C PHE A 26 -4.161 2.874 8.089 1.00 0.00 C ATOM 395 O PHE A 26 -5.197 3.217 7.516 1.00 0.00 O ATOM 396 CB PHE A 26 -1.784 2.784 7.143 1.00 0.00 C ATOM 397 CG PHE A 26 -1.952 4.186 6.589 1.00 0.00 C ATOM 398 CD1 PHE A 26 -2.460 4.386 5.309 1.00 0.00 C ATOM 399 CD2 PHE A 26 -1.619 5.304 7.349 1.00 0.00 C ATOM 400 CE1 PHE A 26 -2.624 5.660 4.797 1.00 0.00 C ATOM 401 CE2 PHE A 26 -1.784 6.579 6.838 1.00 0.00 C ATOM 402 CZ PHE A 26 -2.283 6.757 5.562 1.00 0.00 C ATOM 0 H PHE A 26 -4.062 2.546 5.442 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.952 1.043 7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.341 2.843 8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.085 2.233 6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.731 3.532 4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.228 5.175 8.347 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.018 5.796 3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.522 7.438 7.438 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.406 7.753 5.164 1.00 0.00 H new ATOM 412 N ALA A 27 -3.945 3.304 9.432 1.00 0.00 N ATOM 413 CA ALA A 27 -4.925 4.120 10.125 1.00 0.00 C ATOM 414 C ALA A 27 -4.131 5.130 11.023 1.00 0.00 C ATOM 415 O ALA A 27 -3.109 4.783 11.612 1.00 0.00 O ATOM 416 CB ALA A 27 -5.932 3.183 10.871 1.00 0.00 C ATOM 0 H ALA A 27 -3.116 3.076 9.981 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.549 4.719 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.672 3.788 11.395 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.434 2.540 10.148 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.392 2.568 11.590 1.00 0.00 H new ATOM 422 N GLU A 28 -4.565 6.393 10.998 1.00 0.00 N ATOM 423 CA GLU A 28 -3.904 7.588 11.688 1.00 0.00 C ATOM 424 C GLU A 28 -3.555 7.611 13.323 1.00 0.00 C ATOM 425 O GLU A 28 -3.080 8.666 13.741 1.00 0.00 O ATOM 426 CB GLU A 28 -4.910 8.724 11.551 1.00 0.00 C ATOM 427 CG GLU A 28 -4.251 10.067 11.724 1.00 0.00 C ATOM 428 CD GLU A 28 -5.088 11.041 12.531 1.00 0.00 C ATOM 429 OE1 GLU A 28 -6.280 10.750 12.761 1.00 0.00 O ATOM 430 OE2 GLU A 28 -4.550 12.094 12.932 1.00 0.00 O ATOM 0 H GLU A 28 -5.409 6.658 10.491 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.927 7.612 11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.386 8.674 10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.698 8.605 12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.287 9.932 12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.051 10.496 10.742 1.00 0.00 H new ATOM 437 N TRP A 29 -3.843 6.600 14.302 1.00 0.00 N ATOM 438 CA TRP A 29 -3.616 6.799 15.803 1.00 0.00 C ATOM 439 C TRP A 29 -2.482 5.780 16.281 1.00 0.00 C ATOM 440 O TRP A 29 -2.257 5.718 17.490 1.00 0.00 O ATOM 441 CB TRP A 29 -5.121 6.577 16.466 1.00 0.00 C ATOM 442 CG TRP A 29 -6.099 5.422 15.924 1.00 0.00 C ATOM 443 CD1 TRP A 29 -7.326 5.413 15.070 1.00 0.00 C ATOM 444 CD2 TRP A 29 -6.002 4.044 16.362 1.00 0.00 C ATOM 445 NE1 TRP A 29 -7.715 4.109 14.864 1.00 0.00 N ATOM 446 CE2 TRP A 29 -6.955 3.274 15.634 1.00 0.00 C ATOM 447 CE3 TRP A 29 -5.144 3.365 17.252 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -7.052 1.891 15.766 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -5.268 1.994 17.387 1.00 0.00 C ATOM 450 CH2 TRP A 29 -6.201 1.270 16.636 1.00 0.00 C ATOM 0 H TRP A 29 -4.218 5.682 14.062 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.242 7.776 16.108 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.978 6.401 17.532 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.656 7.521 16.368 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.826 6.287 14.679 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.458 3.811 14.232 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.402 3.907 17.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.777 1.327 15.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.632 1.472 18.086 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.249 0.197 16.747 1.00 0.00 H new ATOM 461 N CYS A 30 -1.762 4.912 15.387 1.00 0.00 N ATOM 462 CA CYS A 30 -0.784 3.977 15.929 1.00 0.00 C ATOM 463 C CYS A 30 0.663 4.417 15.697 1.00 0.00 C ATOM 464 O CYS A 30 0.961 5.190 14.786 1.00 0.00 O ATOM 465 CB CYS A 30 -1.003 2.592 15.293 1.00 0.00 C ATOM 466 SG CYS A 30 -1.359 2.593 13.490 1.00 0.00 S ATOM 0 H CYS A 30 -1.876 4.889 14.374 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.937 3.943 17.008 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.114 1.987 15.469 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.829 2.102 15.808 1.00 0.00 H new ATOM 471 N GLY A 31 1.564 3.892 16.526 1.00 0.00 N ATOM 472 CA GLY A 31 2.975 4.197 16.386 1.00 0.00 C ATOM 473 C GLY A 31 3.591 3.584 15.132 1.00 0.00 C ATOM 474 O GLY A 31 4.274 4.276 14.378 1.00 0.00 O ATOM 0 H GLY A 31 1.339 3.259 17.294 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.107 5.279 16.359 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.510 3.833 17.263 1.00 0.00 H new ATOM 478 N PRO A 32 3.365 2.271 14.881 1.00 0.00 N ATOM 479 CA PRO A 32 3.914 1.561 13.707 1.00 0.00 C ATOM 480 C PRO A 32 3.497 2.160 12.377 1.00 0.00 C ATOM 481 O PRO A 32 4.331 2.335 11.489 1.00 0.00 O ATOM 482 CB PRO A 32 3.341 0.148 13.829 1.00 0.00 C ATOM 483 CG PRO A 32 2.181 0.288 14.756 1.00 0.00 C ATOM 484 CD PRO A 32 2.573 1.361 15.724 1.00 0.00 C ATOM 0 HA PRO A 32 5.003 1.613 13.710 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.028 -0.237 12.859 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.082 -0.547 14.224 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.275 0.560 14.214 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.975 -0.650 15.272 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.703 1.858 16.154 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.157 0.965 16.555 1.00 0.00 H new ATOM 492 N CYS A 33 2.207 2.458 12.216 1.00 0.00 N ATOM 493 CA CYS A 33 1.740 3.010 10.948 1.00 0.00 C ATOM 494 C CYS A 33 2.633 4.175 10.505 1.00 0.00 C ATOM 495 O CYS A 33 3.158 4.174 9.391 1.00 0.00 O ATOM 496 CB CYS A 33 0.277 3.464 11.054 1.00 0.00 C ATOM 497 SG CYS A 33 -0.222 4.085 12.697 1.00 0.00 S ATOM 0 H CYS A 33 1.486 2.331 12.927 1.00 0.00 H new ATOM 0 HA CYS A 33 1.799 2.224 10.195 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.101 4.248 10.317 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.368 2.626 10.788 1.00 0.00 H new ATOM 502 N LYS A 34 2.826 5.146 11.387 1.00 0.00 N ATOM 503 CA LYS A 34 3.687 6.292 11.094 1.00 0.00 C ATOM 504 C LYS A 34 5.161 5.879 10.982 1.00 0.00 C ATOM 505 O LYS A 34 5.925 6.457 10.211 1.00 0.00 O ATOM 506 CB LYS A 34 3.526 7.365 12.172 1.00 0.00 C ATOM 507 CG LYS A 34 2.203 8.109 12.095 1.00 0.00 C ATOM 508 CD LYS A 34 1.982 8.985 13.319 1.00 0.00 C ATOM 509 CE LYS A 34 1.702 10.428 12.930 1.00 0.00 C ATOM 510 NZ LYS A 34 2.858 11.048 12.226 1.00 0.00 N ATOM 0 H LYS A 34 2.399 5.166 12.313 1.00 0.00 H new ATOM 0 HA LYS A 34 3.378 6.698 10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.615 6.899 13.153 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.342 8.082 12.084 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.184 8.726 11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.386 7.392 12.007 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.146 8.595 13.900 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.863 8.944 13.960 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.823 10.466 12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.469 11.006 13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.808 12.082 12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.745 10.704 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.830 10.791 11.219 1.00 0.00 H new ATOM 524 N ARG A 35 5.546 4.897 11.794 1.00 0.00 N ATOM 525 CA ARG A 35 6.927 4.401 11.855 1.00 0.00 C ATOM 526 C ARG A 35 7.333 3.618 10.610 1.00 0.00 C ATOM 527 O ARG A 35 8.517 3.537 10.281 1.00 0.00 O ATOM 528 CB ARG A 35 7.115 3.526 13.096 1.00 0.00 C ATOM 529 CG ARG A 35 8.265 3.972 13.986 1.00 0.00 C ATOM 530 CD ARG A 35 9.525 3.160 13.724 1.00 0.00 C ATOM 531 NE ARG A 35 9.999 2.483 14.929 1.00 0.00 N ATOM 532 CZ ARG A 35 11.229 1.991 15.068 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.109 2.098 14.080 1.00 0.00 N ATOM 534 NH2 ARG A 35 11.578 1.390 16.197 1.00 0.00 N ATOM 0 H ARG A 35 4.910 4.419 12.432 1.00 0.00 H new ATOM 0 HA ARG A 35 7.573 5.277 11.909 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.193 3.532 13.677 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.288 2.497 12.782 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.470 5.029 13.814 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.977 3.870 15.032 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.326 2.421 12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.308 3.817 13.345 1.00 0.00 H new ATOM 0 HE ARG A 35 9.350 2.381 15.709 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.845 2.559 13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.050 1.720 14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.905 1.305 16.959 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.520 1.013 16.304 1.00 0.00 H new ATOM 548 N ILE A 36 6.362 3.024 9.938 1.00 0.00 N ATOM 549 CA ILE A 36 6.631 2.235 8.750 1.00 0.00 C ATOM 550 C ILE A 36 6.742 3.121 7.511 1.00 0.00 C ATOM 551 O ILE A 36 7.222 2.680 6.469 1.00 0.00 O ATOM 552 CB ILE A 36 5.538 1.166 8.526 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.892 0.267 7.338 1.00 0.00 C ATOM 554 CG2 ILE A 36 4.180 1.813 8.313 1.00 0.00 C ATOM 555 CD1 ILE A 36 7.319 -0.234 7.351 1.00 0.00 C ATOM 0 H ILE A 36 5.377 3.074 10.197 1.00 0.00 H new ATOM 0 HA ILE A 36 7.585 1.733 8.910 1.00 0.00 H new ATOM 0 HB ILE A 36 5.486 0.549 9.423 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.217 -0.589 7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.720 0.819 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.429 1.039 8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.917 2.404 9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.219 2.461 7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.492 -0.863 6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.003 0.615 7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.492 -0.815 8.257 1.00 0.00 H new ATOM 567 N ALA A 37 6.295 4.373 7.633 1.00 0.00 N ATOM 568 CA ALA A 37 6.342 5.321 6.522 1.00 0.00 C ATOM 569 C ALA A 37 7.779 5.658 6.111 1.00 0.00 C ATOM 570 O ALA A 37 8.109 5.636 4.925 1.00 0.00 O ATOM 571 CB ALA A 37 5.589 6.590 6.887 1.00 0.00 C ATOM 0 H ALA A 37 5.896 4.752 8.492 1.00 0.00 H new ATOM 0 HA ALA A 37 5.862 4.846 5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.630 7.290 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.549 6.346 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.047 7.045 7.765 1.00 0.00 H new ATOM 577 N PRO A 38 8.653 5.991 7.082 1.00 0.00 N ATOM 578 CA PRO A 38 10.050 6.351 6.802 1.00 0.00 C ATOM 579 C PRO A 38 10.758 5.313 5.940 1.00 0.00 C ATOM 580 O PRO A 38 11.423 5.661 4.965 1.00 0.00 O ATOM 581 CB PRO A 38 10.686 6.407 8.192 1.00 0.00 C ATOM 582 CG PRO A 38 9.559 6.725 9.111 1.00 0.00 C ATOM 583 CD PRO A 38 8.341 6.070 8.518 1.00 0.00 C ATOM 0 HA PRO A 38 10.124 7.284 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.153 5.457 8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.464 7.169 8.241 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.755 6.347 10.114 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.419 7.802 9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.169 5.082 8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.441 6.657 8.701 1.00 0.00 H new ATOM 591 N PHE A 39 10.594 4.038 6.276 1.00 0.00 N ATOM 592 CA PHE A 39 11.207 2.978 5.487 1.00 0.00 C ATOM 593 C PHE A 39 10.482 2.871 4.162 1.00 0.00 C ATOM 594 O PHE A 39 11.086 2.638 3.117 1.00 0.00 O ATOM 595 CB PHE A 39 11.153 1.640 6.211 1.00 0.00 C ATOM 596 CG PHE A 39 11.657 0.504 5.366 1.00 0.00 C ATOM 597 CD1 PHE A 39 13.016 0.270 5.234 1.00 0.00 C ATOM 598 CD2 PHE A 39 10.771 -0.316 4.688 1.00 0.00 C ATOM 599 CE1 PHE A 39 13.480 -0.762 4.442 1.00 0.00 C ATOM 600 CE2 PHE A 39 11.229 -1.350 3.899 1.00 0.00 C ATOM 601 CZ PHE A 39 12.583 -1.573 3.774 1.00 0.00 C ATOM 0 H PHE A 39 10.050 3.717 7.077 1.00 0.00 H new ATOM 0 HA PHE A 39 12.256 3.227 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 39 11.747 1.701 7.123 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.126 1.436 6.512 1.00 0.00 H new ATOM 0 HD1 PHE A 39 13.720 0.901 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.709 -0.144 4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 39 14.542 -0.935 4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.527 -1.985 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 39 12.943 -2.381 3.154 1.00 0.00 H new ATOM 611 N TYR A 40 9.176 3.071 4.227 1.00 0.00 N ATOM 612 CA TYR A 40 8.331 3.028 3.048 1.00 0.00 C ATOM 613 C TYR A 40 8.790 4.095 2.062 1.00 0.00 C ATOM 614 O TYR A 40 8.738 3.901 0.847 1.00 0.00 O ATOM 615 CB TYR A 40 6.877 3.281 3.453 1.00 0.00 C ATOM 616 CG TYR A 40 5.844 2.538 2.633 1.00 0.00 C ATOM 617 CD1 TYR A 40 6.121 1.302 2.058 1.00 0.00 C ATOM 618 CD2 TYR A 40 4.579 3.077 2.449 1.00 0.00 C ATOM 619 CE1 TYR A 40 5.164 0.630 1.321 1.00 0.00 C ATOM 620 CE2 TYR A 40 3.618 2.412 1.717 1.00 0.00 C ATOM 621 CZ TYR A 40 3.915 1.189 1.153 1.00 0.00 C ATOM 622 OH TYR A 40 2.958 0.523 0.422 1.00 0.00 O ATOM 0 H TYR A 40 8.675 3.267 5.094 1.00 0.00 H new ATOM 0 HA TYR A 40 8.404 2.048 2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.754 3.005 4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.676 4.350 3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.098 0.861 2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.342 4.035 2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.394 -0.328 0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.638 2.847 1.586 1.00 0.00 H new ATOM 0 HH TYR A 40 2.461 1.164 -0.128 1.00 0.00 H new ATOM 632 N GLU A 41 9.251 5.219 2.601 1.00 0.00 N ATOM 633 CA GLU A 41 9.737 6.321 1.774 1.00 0.00 C ATOM 634 C GLU A 41 10.977 5.904 0.998 1.00 0.00 C ATOM 635 O GLU A 41 11.104 6.198 -0.190 1.00 0.00 O ATOM 636 CB GLU A 41 10.052 7.540 2.637 1.00 0.00 C ATOM 637 CG GLU A 41 8.935 7.891 3.596 1.00 0.00 C ATOM 638 CD GLU A 41 8.714 9.387 3.716 1.00 0.00 C ATOM 639 OE1 GLU A 41 7.968 9.945 2.885 1.00 0.00 O ATOM 640 OE2 GLU A 41 9.288 9.999 4.641 1.00 0.00 O ATOM 0 H GLU A 41 9.299 5.392 3.605 1.00 0.00 H new ATOM 0 HA GLU A 41 8.951 6.583 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.964 7.351 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.250 8.395 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.012 7.417 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.165 7.482 4.580 1.00 0.00 H new ATOM 647 N GLU A 42 11.886 5.207 1.670 1.00 0.00 N ATOM 648 CA GLU A 42 13.108 4.742 1.025 1.00 0.00 C ATOM 649 C GLU A 42 12.753 3.799 -0.123 1.00 0.00 C ATOM 650 O GLU A 42 13.330 3.862 -1.208 1.00 0.00 O ATOM 651 CB GLU A 42 14.006 4.023 2.034 1.00 0.00 C ATOM 652 CG GLU A 42 14.136 4.752 3.362 1.00 0.00 C ATOM 653 CD GLU A 42 15.578 4.909 3.804 1.00 0.00 C ATOM 654 OE1 GLU A 42 16.382 5.460 3.022 1.00 0.00 O ATOM 655 OE2 GLU A 42 15.904 4.482 4.932 1.00 0.00 O ATOM 0 H GLU A 42 11.801 4.953 2.654 1.00 0.00 H new ATOM 0 HA GLU A 42 13.650 5.603 0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.608 3.024 2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.998 3.897 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.677 5.737 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.583 4.207 4.127 1.00 0.00 H new ATOM 662 N CYS A 43 11.783 2.934 0.144 1.00 0.00 N ATOM 663 CA CYS A 43 11.290 1.960 -0.821 1.00 0.00 C ATOM 664 C CYS A 43 10.659 2.637 -2.040 1.00 0.00 C ATOM 665 O CYS A 43 10.736 2.128 -3.156 1.00 0.00 O ATOM 666 CB CYS A 43 10.269 1.066 -0.109 1.00 0.00 C ATOM 667 SG CYS A 43 10.887 0.345 1.425 1.00 0.00 S ATOM 0 H CYS A 43 11.311 2.889 1.047 1.00 0.00 H new ATOM 0 HA CYS A 43 12.124 1.365 -1.193 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.375 1.651 0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.969 0.264 -0.783 1.00 0.00 H new ATOM 0 HG CYS A 43 10.757 1.204 2.392 1.00 0.00 H new ATOM 673 N SER A 44 10.010 3.769 -1.811 1.00 0.00 N ATOM 674 CA SER A 44 9.330 4.502 -2.877 1.00 0.00 C ATOM 675 C SER A 44 10.279 5.184 -3.875 1.00 0.00 C ATOM 676 O SER A 44 9.870 5.496 -4.993 1.00 0.00 O ATOM 677 CB SER A 44 8.409 5.552 -2.258 1.00 0.00 C ATOM 678 OG SER A 44 9.156 6.620 -1.701 1.00 0.00 O ATOM 0 H SER A 44 9.938 4.205 -0.892 1.00 0.00 H new ATOM 0 HA SER A 44 8.767 3.763 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.729 5.937 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.795 5.091 -1.484 1.00 0.00 H new ATOM 0 HG SER A 44 9.893 6.259 -1.165 1.00 0.00 H new ATOM 684 N LYS A 45 11.518 5.462 -3.473 1.00 0.00 N ATOM 685 CA LYS A 45 12.455 6.163 -4.365 1.00 0.00 C ATOM 686 C LYS A 45 13.388 5.236 -5.165 1.00 0.00 C ATOM 687 O LYS A 45 13.923 5.645 -6.195 1.00 0.00 O ATOM 688 CB LYS A 45 13.289 7.192 -3.585 1.00 0.00 C ATOM 689 CG LYS A 45 13.572 6.825 -2.135 1.00 0.00 C ATOM 690 CD LYS A 45 14.663 7.703 -1.544 1.00 0.00 C ATOM 691 CE LYS A 45 14.081 8.826 -0.700 1.00 0.00 C ATOM 692 NZ LYS A 45 13.170 9.700 -1.490 1.00 0.00 N ATOM 0 H LYS A 45 11.896 5.221 -2.557 1.00 0.00 H new ATOM 0 HA LYS A 45 11.824 6.667 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.239 7.333 -4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.769 8.150 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.660 6.930 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.872 5.779 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.329 7.095 -0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.266 8.126 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.536 8.401 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.891 9.426 -0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.902 10.527 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.656 10.017 -2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.316 9.167 -1.750 1.00 0.00 H new ATOM 706 N THR A 46 13.589 4.007 -4.706 1.00 0.00 N ATOM 707 CA THR A 46 14.465 3.062 -5.405 1.00 0.00 C ATOM 708 C THR A 46 13.638 2.088 -6.240 1.00 0.00 C ATOM 709 O THR A 46 14.022 1.682 -7.337 1.00 0.00 O ATOM 710 CB THR A 46 15.336 2.280 -4.392 1.00 0.00 C ATOM 711 OG1 THR A 46 16.554 2.993 -4.145 1.00 0.00 O ATOM 712 CG2 THR A 46 15.664 0.876 -4.885 1.00 0.00 C ATOM 0 H THR A 46 13.161 3.638 -3.857 1.00 0.00 H new ATOM 0 HA THR A 46 15.119 3.628 -6.068 1.00 0.00 H new ATOM 0 HB THR A 46 14.761 2.187 -3.471 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.100 2.494 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.277 0.364 -4.143 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.740 0.319 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 46 16.211 0.939 -5.826 1.00 0.00 H new ATOM 720 N TYR A 47 12.507 1.727 -5.673 1.00 0.00 N ATOM 721 CA TYR A 47 11.553 0.800 -6.260 1.00 0.00 C ATOM 722 C TYR A 47 10.592 1.501 -7.232 1.00 0.00 C ATOM 723 O TYR A 47 9.499 0.999 -7.493 1.00 0.00 O ATOM 724 CB TYR A 47 10.770 0.071 -5.172 1.00 0.00 C ATOM 725 CG TYR A 47 11.633 -0.470 -4.056 1.00 0.00 C ATOM 726 CD1 TYR A 47 12.905 -0.967 -4.300 1.00 0.00 C ATOM 727 CD2 TYR A 47 11.168 -0.471 -2.757 1.00 0.00 C ATOM 728 CE1 TYR A 47 13.690 -1.452 -3.270 1.00 0.00 C ATOM 729 CE2 TYR A 47 11.944 -0.949 -1.716 1.00 0.00 C ATOM 730 CZ TYR A 47 13.204 -1.440 -1.979 1.00 0.00 C ATOM 731 OH TYR A 47 13.981 -1.915 -0.949 1.00 0.00 O ATOM 0 H TYR A 47 12.213 2.080 -4.762 1.00 0.00 H new ATOM 0 HA TYR A 47 12.125 0.070 -6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.032 0.753 -4.750 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.219 -0.754 -5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.288 -0.975 -5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.179 -0.091 -2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.678 -1.838 -3.475 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.565 -0.937 -0.705 1.00 0.00 H new ATOM 0 HH TYR A 47 13.604 -1.622 -0.093 1.00 0.00 H new ATOM 741 N THR A 48 10.944 2.713 -7.666 1.00 0.00 N ATOM 742 CA THR A 48 10.054 3.542 -8.489 1.00 0.00 C ATOM 743 C THR A 48 9.518 2.864 -9.761 1.00 0.00 C ATOM 744 O THR A 48 8.746 3.480 -10.496 1.00 0.00 O ATOM 745 CB THR A 48 10.769 4.839 -8.909 1.00 0.00 C ATOM 746 OG1 THR A 48 11.979 4.527 -9.609 1.00 0.00 O ATOM 747 CG2 THR A 48 11.088 5.698 -7.696 1.00 0.00 C ATOM 0 H THR A 48 11.844 3.146 -7.461 1.00 0.00 H new ATOM 0 HA THR A 48 9.195 3.736 -7.847 1.00 0.00 H new ATOM 0 HB THR A 48 10.103 5.398 -9.566 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.427 5.357 -9.874 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.593 6.609 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.163 5.958 -7.181 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.737 5.144 -7.018 1.00 0.00 H new ATOM 755 N LYS A 49 9.848 1.595 -9.997 1.00 0.00 N ATOM 756 CA LYS A 49 9.298 0.882 -11.149 1.00 0.00 C ATOM 757 C LYS A 49 7.888 0.350 -10.808 1.00 0.00 C ATOM 758 O LYS A 49 7.245 -0.326 -11.612 1.00 0.00 O ATOM 759 CB LYS A 49 10.214 -0.276 -11.551 1.00 0.00 C ATOM 760 CG LYS A 49 11.679 -0.065 -11.190 1.00 0.00 C ATOM 761 CD LYS A 49 12.083 -0.887 -9.974 1.00 0.00 C ATOM 762 CE LYS A 49 13.255 -1.804 -10.285 1.00 0.00 C ATOM 763 NZ LYS A 49 14.555 -1.198 -9.886 1.00 0.00 N ATOM 0 H LYS A 49 10.483 1.047 -9.417 1.00 0.00 H new ATOM 0 HA LYS A 49 9.228 1.573 -11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.860 -1.188 -11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.135 -0.431 -12.627 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.306 -0.338 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.856 0.992 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.350 -0.219 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.234 -1.482 -9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.122 -2.753 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.270 -2.025 -11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.329 -1.854 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.695 -0.305 -10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.551 -1.010 -8.863 1.00 0.00 H new ATOM 777 N MET A 50 7.442 0.673 -9.590 1.00 0.00 N ATOM 778 CA MET A 50 6.141 0.275 -9.038 1.00 0.00 C ATOM 779 C MET A 50 5.444 1.520 -8.505 1.00 0.00 C ATOM 780 O MET A 50 6.110 2.449 -8.045 1.00 0.00 O ATOM 781 CB MET A 50 6.405 -0.736 -7.914 1.00 0.00 C ATOM 782 CG MET A 50 6.054 -2.177 -8.256 1.00 0.00 C ATOM 783 SD MET A 50 6.318 -2.591 -10.002 1.00 0.00 S ATOM 784 CE MET A 50 8.083 -2.882 -10.056 1.00 0.00 C ATOM 0 H MET A 50 7.992 1.235 -8.941 1.00 0.00 H new ATOM 0 HA MET A 50 5.500 -0.183 -9.791 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.459 -0.688 -7.642 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.835 -0.437 -7.034 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.653 -2.845 -7.638 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.010 -2.358 -8.002 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.456 -2.672 -11.058 1.00 0.00 H new ATOM 0 HE2 MET A 50 8.581 -2.229 -9.339 1.00 0.00 H new ATOM 0 HE3 MET A 50 8.288 -3.922 -9.803 1.00 0.00 H new ATOM 794 N VAL A 51 4.117 1.567 -8.577 1.00 0.00 N ATOM 795 CA VAL A 51 3.405 2.753 -8.100 1.00 0.00 C ATOM 796 C VAL A 51 2.978 2.591 -6.654 1.00 0.00 C ATOM 797 O VAL A 51 2.329 1.614 -6.279 1.00 0.00 O ATOM 798 CB VAL A 51 2.164 3.115 -8.951 1.00 0.00 C ATOM 799 CG1 VAL A 51 2.392 4.415 -9.703 1.00 0.00 C ATOM 800 CG2 VAL A 51 1.806 2.001 -9.912 1.00 0.00 C ATOM 0 H VAL A 51 3.526 0.824 -8.949 1.00 0.00 H new ATOM 0 HA VAL A 51 4.119 3.571 -8.193 1.00 0.00 H new ATOM 0 HB VAL A 51 1.324 3.249 -8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.508 4.652 -10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.578 5.219 -8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.253 4.308 -10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.930 2.289 -10.493 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.644 1.818 -10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.586 1.093 -9.351 1.00 0.00 H new ATOM 810 N PHE A 52 3.370 3.566 -5.849 1.00 0.00 N ATOM 811 CA PHE A 52 3.060 3.567 -4.426 1.00 0.00 C ATOM 812 C PHE A 52 1.966 4.571 -4.085 1.00 0.00 C ATOM 813 O PHE A 52 2.047 5.749 -4.433 1.00 0.00 O ATOM 814 CB PHE A 52 4.301 3.902 -3.590 1.00 0.00 C ATOM 815 CG PHE A 52 5.344 2.823 -3.548 1.00 0.00 C ATOM 816 CD1 PHE A 52 5.929 2.394 -4.714 1.00 0.00 C ATOM 817 CD2 PHE A 52 5.753 2.262 -2.348 1.00 0.00 C ATOM 818 CE1 PHE A 52 6.908 1.417 -4.705 1.00 0.00 C ATOM 819 CE2 PHE A 52 6.735 1.285 -2.325 1.00 0.00 C ATOM 820 CZ PHE A 52 7.314 0.862 -3.508 1.00 0.00 C ATOM 0 H PHE A 52 3.909 4.375 -6.160 1.00 0.00 H new ATOM 0 HA PHE A 52 2.711 2.562 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.754 4.810 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.986 4.122 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.619 2.827 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.302 2.590 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.354 1.089 -5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.048 0.854 -1.385 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.080 0.101 -3.495 1.00 0.00 H new ATOM 830 N ILE A 53 0.955 4.086 -3.386 1.00 0.00 N ATOM 831 CA ILE A 53 -0.173 4.913 -2.957 1.00 0.00 C ATOM 832 C ILE A 53 -0.641 4.482 -1.567 1.00 0.00 C ATOM 833 O ILE A 53 -0.559 3.308 -1.219 1.00 0.00 O ATOM 834 CB ILE A 53 -1.358 4.786 -3.932 1.00 0.00 C ATOM 835 CG1 ILE A 53 -1.547 3.320 -4.335 1.00 0.00 C ATOM 836 CG2 ILE A 53 -1.141 5.668 -5.154 1.00 0.00 C ATOM 837 CD1 ILE A 53 -0.576 2.847 -5.397 1.00 0.00 C ATOM 0 H ILE A 53 0.887 3.110 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 53 0.166 5.949 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.266 5.126 -3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.437 2.693 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.565 3.182 -4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.988 5.565 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.051 6.708 -4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.228 5.363 -5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.772 1.800 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.701 3.448 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.445 2.952 -5.029 1.00 0.00 H new ATOM 849 N LYS A 54 -1.153 5.419 -0.783 1.00 0.00 N ATOM 850 CA LYS A 54 -1.652 5.099 0.548 1.00 0.00 C ATOM 851 C LYS A 54 -3.124 5.489 0.651 1.00 0.00 C ATOM 852 O LYS A 54 -3.528 6.576 0.237 1.00 0.00 O ATOM 853 CB LYS A 54 -0.801 5.762 1.646 1.00 0.00 C ATOM 854 CG LYS A 54 -1.188 7.189 2.007 1.00 0.00 C ATOM 855 CD LYS A 54 -0.112 8.176 1.585 1.00 0.00 C ATOM 856 CE LYS A 54 0.854 8.465 2.722 1.00 0.00 C ATOM 857 NZ LYS A 54 1.550 9.769 2.543 1.00 0.00 N ATOM 0 H LYS A 54 -1.234 6.402 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.570 4.024 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.861 5.150 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.241 5.757 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.130 7.446 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.351 7.263 3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.437 7.775 0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.578 9.105 1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.311 8.470 3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.592 7.665 2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.260 9.889 3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.020 9.787 1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.857 10.543 2.595 1.00 0.00 H new ATOM 871 N VAL A 55 -3.917 4.574 1.175 1.00 0.00 N ATOM 872 CA VAL A 55 -5.349 4.775 1.315 1.00 0.00 C ATOM 873 C VAL A 55 -5.799 4.410 2.725 1.00 0.00 C ATOM 874 O VAL A 55 -5.657 3.268 3.163 1.00 0.00 O ATOM 875 CB VAL A 55 -6.113 3.952 0.233 1.00 0.00 C ATOM 876 CG1 VAL A 55 -7.429 3.360 0.736 1.00 0.00 C ATOM 877 CG2 VAL A 55 -6.356 4.812 -0.997 1.00 0.00 C ATOM 0 H VAL A 55 -3.588 3.671 1.516 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.582 5.828 1.158 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.476 3.105 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.907 2.801 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.231 2.692 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.089 4.164 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.890 4.230 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.952 5.682 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.401 5.141 -1.405 1.00 0.00 H new ATOM 887 N ASP A 56 -6.324 5.403 3.434 1.00 0.00 N ATOM 888 CA ASP A 56 -6.776 5.213 4.805 1.00 0.00 C ATOM 889 C ASP A 56 -8.163 4.584 4.846 1.00 0.00 C ATOM 890 O ASP A 56 -8.916 4.641 3.875 1.00 0.00 O ATOM 891 CB ASP A 56 -6.742 6.555 5.553 1.00 0.00 C ATOM 892 CG ASP A 56 -7.895 7.465 5.187 1.00 0.00 C ATOM 893 OD1 ASP A 56 -7.916 7.959 4.041 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.772 7.688 6.048 1.00 0.00 O ATOM 0 H ASP A 56 -6.447 6.351 3.079 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.099 4.521 5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.761 6.367 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.802 7.063 5.335 1.00 0.00 H new ATOM 899 N VAL A 57 -8.476 3.959 5.975 1.00 0.00 N ATOM 900 CA VAL A 57 -9.754 3.287 6.152 1.00 0.00 C ATOM 901 C VAL A 57 -10.850 4.260 6.587 1.00 0.00 C ATOM 902 O VAL A 57 -12.040 3.968 6.463 1.00 0.00 O ATOM 903 CB VAL A 57 -9.654 2.157 7.207 1.00 0.00 C ATOM 904 CG1 VAL A 57 -8.418 1.299 6.978 1.00 0.00 C ATOM 905 CG2 VAL A 57 -9.645 2.729 8.620 1.00 0.00 C ATOM 0 H VAL A 57 -7.858 3.905 6.784 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.014 2.863 5.182 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.535 1.525 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.375 0.515 7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.468 0.847 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.525 1.921 7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.574 1.915 9.342 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.789 3.394 8.738 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.565 3.288 8.792 1.00 0.00 H new ATOM 915 N ASP A 58 -10.438 5.398 7.136 1.00 0.00 N ATOM 916 CA ASP A 58 -11.376 6.396 7.635 1.00 0.00 C ATOM 917 C ASP A 58 -12.054 7.182 6.514 1.00 0.00 C ATOM 918 O ASP A 58 -13.261 7.418 6.557 1.00 0.00 O ATOM 919 CB ASP A 58 -10.658 7.361 8.580 1.00 0.00 C ATOM 920 CG ASP A 58 -10.335 6.727 9.919 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.249 6.135 10.531 1.00 0.00 O ATOM 922 OD2 ASP A 58 -9.168 6.821 10.354 1.00 0.00 O ATOM 0 H ASP A 58 -9.456 5.652 7.247 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.158 5.858 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.735 7.704 8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.282 8.241 8.739 1.00 0.00 H new ATOM 927 N GLU A 59 -11.274 7.607 5.529 1.00 0.00 N ATOM 928 CA GLU A 59 -11.810 8.392 4.420 1.00 0.00 C ATOM 929 C GLU A 59 -12.671 7.550 3.487 1.00 0.00 C ATOM 930 O GLU A 59 -13.705 8.013 3.005 1.00 0.00 O ATOM 931 CB GLU A 59 -10.675 9.035 3.623 1.00 0.00 C ATOM 932 CG GLU A 59 -10.026 10.216 4.328 1.00 0.00 C ATOM 933 CD GLU A 59 -10.145 11.504 3.536 1.00 0.00 C ATOM 934 OE1 GLU A 59 -11.231 11.757 2.973 1.00 0.00 O ATOM 935 OE2 GLU A 59 -9.152 12.260 3.480 1.00 0.00 O ATOM 0 H GLU A 59 -10.272 7.424 5.473 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.441 9.168 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.914 8.282 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.062 9.366 2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.489 10.351 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.973 9.997 4.502 1.00 0.00 H new ATOM 942 N VAL A 60 -12.239 6.325 3.214 1.00 0.00 N ATOM 943 CA VAL A 60 -12.985 5.454 2.315 1.00 0.00 C ATOM 944 C VAL A 60 -13.157 4.052 2.889 1.00 0.00 C ATOM 945 O VAL A 60 -12.414 3.133 2.545 1.00 0.00 O ATOM 946 CB VAL A 60 -12.303 5.355 0.934 1.00 0.00 C ATOM 947 CG1 VAL A 60 -12.880 6.388 -0.021 1.00 0.00 C ATOM 948 CG2 VAL A 60 -10.794 5.523 1.060 1.00 0.00 C ATOM 0 H VAL A 60 -11.387 5.916 3.597 1.00 0.00 H new ATOM 0 HA VAL A 60 -13.970 5.906 2.199 1.00 0.00 H new ATOM 0 HB VAL A 60 -12.500 4.363 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.387 6.303 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.949 6.215 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.718 7.387 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.336 5.449 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.571 6.499 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.393 4.741 1.705 1.00 0.00 H new ATOM 958 N SER A 61 -14.160 3.892 3.747 1.00 0.00 N ATOM 959 CA SER A 61 -14.451 2.597 4.350 1.00 0.00 C ATOM 960 C SER A 61 -14.803 1.587 3.267 1.00 0.00 C ATOM 961 O SER A 61 -14.515 0.397 3.390 1.00 0.00 O ATOM 962 CB SER A 61 -15.599 2.720 5.355 1.00 0.00 C ATOM 963 OG SER A 61 -15.194 2.303 6.647 1.00 0.00 O ATOM 0 H SER A 61 -14.785 4.643 4.040 1.00 0.00 H new ATOM 0 HA SER A 61 -13.564 2.251 4.881 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.942 3.754 5.394 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.443 2.116 5.023 1.00 0.00 H new ATOM 0 HG SER A 61 -15.945 2.393 7.270 1.00 0.00 H new ATOM 969 N GLU A 62 -15.423 2.079 2.198 1.00 0.00 N ATOM 970 CA GLU A 62 -15.810 1.231 1.079 1.00 0.00 C ATOM 971 C GLU A 62 -14.596 0.492 0.524 1.00 0.00 C ATOM 972 O GLU A 62 -14.718 -0.609 -0.009 1.00 0.00 O ATOM 973 CB GLU A 62 -16.462 2.068 -0.022 1.00 0.00 C ATOM 974 CG GLU A 62 -17.853 2.568 0.337 1.00 0.00 C ATOM 975 CD GLU A 62 -18.835 2.434 -0.810 1.00 0.00 C ATOM 976 OE1 GLU A 62 -18.517 2.905 -1.923 1.00 0.00 O ATOM 977 OE2 GLU A 62 -19.924 1.861 -0.596 1.00 0.00 O ATOM 0 H GLU A 62 -15.668 3.063 2.085 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.532 0.497 1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.823 2.923 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.523 1.472 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.225 2.010 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.793 3.614 0.638 1.00 0.00 H new ATOM 984 N VAL A 63 -13.424 1.103 0.661 1.00 0.00 N ATOM 985 CA VAL A 63 -12.189 0.499 0.180 1.00 0.00 C ATOM 986 C VAL A 63 -11.846 -0.735 1.000 1.00 0.00 C ATOM 987 O VAL A 63 -11.453 -1.768 0.457 1.00 0.00 O ATOM 988 CB VAL A 63 -11.012 1.500 0.237 1.00 0.00 C ATOM 989 CG1 VAL A 63 -9.693 0.811 -0.080 1.00 0.00 C ATOM 990 CG2 VAL A 63 -11.252 2.667 -0.712 1.00 0.00 C ATOM 0 H VAL A 63 -13.304 2.015 1.101 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.348 0.212 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.951 1.891 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.882 1.538 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.513 0.019 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.738 0.382 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.412 3.360 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.347 2.293 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.168 3.184 -0.428 1.00 0.00 H new ATOM 1000 N THR A 64 -12.009 -0.621 2.308 1.00 0.00 N ATOM 1001 CA THR A 64 -11.730 -1.724 3.210 1.00 0.00 C ATOM 1002 C THR A 64 -12.579 -2.940 2.850 1.00 0.00 C ATOM 1003 O THR A 64 -12.083 -4.066 2.799 1.00 0.00 O ATOM 1004 CB THR A 64 -12.004 -1.315 4.671 1.00 0.00 C ATOM 1005 OG1 THR A 64 -11.071 -0.307 5.078 1.00 0.00 O ATOM 1006 CG2 THR A 64 -11.903 -2.510 5.611 1.00 0.00 C ATOM 0 H THR A 64 -12.335 0.228 2.769 1.00 0.00 H new ATOM 0 HA THR A 64 -10.676 -1.984 3.107 1.00 0.00 H new ATOM 0 HB THR A 64 -13.020 -0.923 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 64 -10.908 -0.382 6.042 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.102 -2.187 6.633 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.634 -3.264 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.901 -2.935 5.553 1.00 0.00 H new ATOM 1014 N GLU A 65 -13.863 -2.701 2.602 1.00 0.00 N ATOM 1015 CA GLU A 65 -14.787 -3.775 2.245 1.00 0.00 C ATOM 1016 C GLU A 65 -14.504 -4.316 0.845 1.00 0.00 C ATOM 1017 O GLU A 65 -14.615 -5.518 0.601 1.00 0.00 O ATOM 1018 CB GLU A 65 -16.234 -3.286 2.331 1.00 0.00 C ATOM 1019 CG GLU A 65 -16.561 -2.183 1.341 1.00 0.00 C ATOM 1020 CD GLU A 65 -18.042 -1.860 1.295 1.00 0.00 C ATOM 1021 OE1 GLU A 65 -18.745 -2.156 2.284 1.00 0.00 O ATOM 1022 OE2 GLU A 65 -18.499 -1.313 0.269 1.00 0.00 O ATOM 0 H GLU A 65 -14.288 -1.775 2.641 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.639 -4.586 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.904 -4.128 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.428 -2.926 3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.005 -1.284 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.227 -2.481 0.347 1.00 0.00 H new ATOM 1029 N LYS A 66 -14.147 -3.423 -0.075 1.00 0.00 N ATOM 1030 CA LYS A 66 -13.861 -3.816 -1.453 1.00 0.00 C ATOM 1031 C LYS A 66 -12.740 -4.844 -1.511 1.00 0.00 C ATOM 1032 O LYS A 66 -12.791 -5.791 -2.296 1.00 0.00 O ATOM 1033 CB LYS A 66 -13.475 -2.593 -2.285 1.00 0.00 C ATOM 1034 CG LYS A 66 -14.640 -1.664 -2.570 1.00 0.00 C ATOM 1035 CD LYS A 66 -15.376 -2.063 -3.841 1.00 0.00 C ATOM 1036 CE LYS A 66 -15.139 -1.065 -4.964 1.00 0.00 C ATOM 1037 NZ LYS A 66 -16.361 -0.267 -5.265 1.00 0.00 N ATOM 0 H LYS A 66 -14.049 -2.424 0.108 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.765 -4.265 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.697 -2.038 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.047 -2.927 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.332 -1.679 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.276 -0.641 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.046 -3.052 -4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.444 -2.134 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.326 -0.394 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.822 -1.597 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.415 -0.086 -6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.204 -0.795 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.318 0.639 -4.755 1.00 0.00 H new ATOM 1051 N GLU A 67 -11.729 -4.649 -0.677 1.00 0.00 N ATOM 1052 CA GLU A 67 -10.592 -5.559 -0.635 1.00 0.00 C ATOM 1053 C GLU A 67 -10.797 -6.654 0.410 1.00 0.00 C ATOM 1054 O GLU A 67 -9.930 -7.507 0.600 1.00 0.00 O ATOM 1055 CB GLU A 67 -9.306 -4.785 -0.335 1.00 0.00 C ATOM 1056 CG GLU A 67 -8.721 -4.084 -1.550 1.00 0.00 C ATOM 1057 CD GLU A 67 -8.501 -5.025 -2.718 1.00 0.00 C ATOM 1058 OE1 GLU A 67 -8.233 -6.220 -2.475 1.00 0.00 O ATOM 1059 OE2 GLU A 67 -8.598 -4.567 -3.876 1.00 0.00 O ATOM 0 H GLU A 67 -11.672 -3.870 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.507 -6.034 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.509 -4.044 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.564 -5.473 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.389 -3.280 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.772 -3.623 -1.276 1.00 0.00 H new ATOM 1066 N ASN A 68 -11.948 -6.635 1.082 1.00 0.00 N ATOM 1067 CA ASN A 68 -12.253 -7.631 2.091 1.00 0.00 C ATOM 1068 C ASN A 68 -11.126 -7.733 3.114 1.00 0.00 C ATOM 1069 O ASN A 68 -10.701 -8.829 3.481 1.00 0.00 O ATOM 1070 CB ASN A 68 -12.493 -8.980 1.426 1.00 0.00 C ATOM 1071 CG ASN A 68 -13.684 -9.702 2.017 1.00 0.00 C ATOM 1072 OD1 ASN A 68 -14.639 -10.029 1.313 1.00 0.00 O ATOM 1073 ND2 ASN A 68 -13.633 -9.956 3.317 1.00 0.00 N ATOM 0 H ASN A 68 -12.680 -5.938 0.941 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.157 -7.327 2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.652 -8.834 0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.603 -9.600 1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.406 -10.441 3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.821 -9.666 3.862 1.00 0.00 H new ATOM 1080 N ILE A 69 -10.645 -6.581 3.564 1.00 0.00 N ATOM 1081 CA ILE A 69 -9.563 -6.531 4.539 1.00 0.00 C ATOM 1082 C ILE A 69 -10.065 -6.892 5.936 1.00 0.00 C ATOM 1083 O ILE A 69 -11.122 -6.425 6.359 1.00 0.00 O ATOM 1084 CB ILE A 69 -8.904 -5.141 4.593 1.00 0.00 C ATOM 1085 CG1 ILE A 69 -8.945 -4.433 3.219 1.00 0.00 C ATOM 1086 CG2 ILE A 69 -7.475 -5.286 5.088 1.00 0.00 C ATOM 1087 CD1 ILE A 69 -7.687 -3.660 2.895 1.00 0.00 C ATOM 0 H ILE A 69 -10.988 -5.667 3.269 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.821 -7.261 4.215 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.467 -4.515 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.113 -5.178 2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.795 -3.751 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.003 -4.305 5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.478 -5.729 6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.918 -5.929 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.790 -3.191 1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.528 -2.891 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.835 -4.340 2.884 1.00 0.00 H new ATOM 1099 N THR A 70 -9.316 -7.741 6.648 1.00 0.00 N ATOM 1100 CA THR A 70 -9.716 -8.163 7.981 1.00 0.00 C ATOM 1101 C THR A 70 -8.819 -7.592 9.081 1.00 0.00 C ATOM 1102 O THR A 70 -9.265 -7.422 10.216 1.00 0.00 O ATOM 1103 CB THR A 70 -9.723 -9.698 8.090 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.387 -10.185 8.263 1.00 0.00 O ATOM 1105 CG2 THR A 70 -10.340 -10.328 6.849 1.00 0.00 C ATOM 0 H THR A 70 -8.437 -8.143 6.321 1.00 0.00 H new ATOM 0 HA THR A 70 -10.722 -7.771 8.130 1.00 0.00 H new ATOM 0 HB THR A 70 -10.325 -9.974 8.956 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.402 -11.162 8.333 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.333 -11.413 6.950 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.367 -9.980 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.762 -10.042 5.970 1.00 0.00 H new ATOM 1113 N SER A 71 -7.550 -7.320 8.768 1.00 0.00 N ATOM 1114 CA SER A 71 -6.629 -6.800 9.788 1.00 0.00 C ATOM 1115 C SER A 71 -5.609 -5.790 9.245 1.00 0.00 C ATOM 1116 O SER A 71 -5.044 -5.968 8.166 1.00 0.00 O ATOM 1117 CB SER A 71 -5.889 -7.959 10.456 1.00 0.00 C ATOM 1118 OG SER A 71 -5.334 -7.563 11.698 1.00 0.00 O ATOM 0 H SER A 71 -7.142 -7.446 7.842 1.00 0.00 H new ATOM 0 HA SER A 71 -7.245 -6.264 10.510 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.575 -8.792 10.610 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.097 -8.316 9.798 1.00 0.00 H new ATOM 0 HG SER A 71 -4.868 -8.323 12.105 1.00 0.00 H new ATOM 1124 N MET A 72 -5.374 -4.739 10.039 1.00 0.00 N ATOM 1125 CA MET A 72 -4.413 -3.679 9.709 1.00 0.00 C ATOM 1126 C MET A 72 -3.289 -3.634 10.747 1.00 0.00 C ATOM 1127 O MET A 72 -3.472 -4.083 11.879 1.00 0.00 O ATOM 1128 CB MET A 72 -5.125 -2.318 9.635 1.00 0.00 C ATOM 1129 CG MET A 72 -5.157 -1.548 10.950 1.00 0.00 C ATOM 1130 SD MET A 72 -6.072 -2.413 12.241 1.00 0.00 S ATOM 1131 CE MET A 72 -5.009 -2.136 13.655 1.00 0.00 C ATOM 0 H MET A 72 -5.847 -4.599 10.932 1.00 0.00 H new ATOM 0 HA MET A 72 -3.976 -3.898 8.735 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.631 -1.705 8.882 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.149 -2.476 9.296 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.136 -1.373 11.289 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.609 -0.570 10.783 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.099 -2.973 14.347 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.975 -2.050 13.321 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.305 -1.216 14.158 1.00 0.00 H new ATOM 1141 N PRO A 73 -2.118 -3.068 10.395 1.00 0.00 N ATOM 1142 CA PRO A 73 -1.839 -2.512 9.061 1.00 0.00 C ATOM 1143 C PRO A 73 -1.649 -3.596 8.001 1.00 0.00 C ATOM 1144 O PRO A 73 -1.116 -4.668 8.288 1.00 0.00 O ATOM 1145 CB PRO A 73 -0.533 -1.743 9.275 1.00 0.00 C ATOM 1146 CG PRO A 73 0.147 -2.491 10.363 1.00 0.00 C ATOM 1147 CD PRO A 73 -0.947 -2.952 11.286 1.00 0.00 C ATOM 0 HA PRO A 73 -2.663 -1.901 8.693 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.071 -1.720 8.368 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.721 -0.707 9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.706 -3.338 9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.860 -1.856 10.888 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.702 -3.905 11.755 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.123 -2.237 12.090 1.00 0.00 H new ATOM 1155 N THR A 74 -2.082 -3.311 6.778 1.00 0.00 N ATOM 1156 CA THR A 74 -1.949 -4.263 5.680 1.00 0.00 C ATOM 1157 C THR A 74 -1.328 -3.625 4.428 1.00 0.00 C ATOM 1158 O THR A 74 -1.748 -2.554 3.990 1.00 0.00 O ATOM 1159 CB THR A 74 -3.317 -4.866 5.309 1.00 0.00 C ATOM 1160 OG1 THR A 74 -4.300 -4.473 6.279 1.00 0.00 O ATOM 1161 CG2 THR A 74 -3.234 -6.387 5.224 1.00 0.00 C ATOM 0 H THR A 74 -2.528 -2.430 6.522 1.00 0.00 H new ATOM 0 HA THR A 74 -1.281 -5.049 6.033 1.00 0.00 H new ATOM 0 HB THR A 74 -3.610 -4.488 4.330 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.369 -5.162 6.972 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.212 -6.791 4.961 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.508 -6.670 4.462 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.923 -6.789 6.188 1.00 0.00 H new ATOM 1169 N PHE A 75 -0.349 -4.321 3.844 1.00 0.00 N ATOM 1170 CA PHE A 75 0.324 -3.870 2.618 1.00 0.00 C ATOM 1171 C PHE A 75 0.028 -4.859 1.502 1.00 0.00 C ATOM 1172 O PHE A 75 0.398 -6.030 1.587 1.00 0.00 O ATOM 1173 CB PHE A 75 1.846 -3.757 2.818 1.00 0.00 C ATOM 1174 CG PHE A 75 2.285 -2.630 3.725 1.00 0.00 C ATOM 1175 CD1 PHE A 75 1.368 -1.718 4.227 1.00 0.00 C ATOM 1176 CD2 PHE A 75 3.622 -2.491 4.083 1.00 0.00 C ATOM 1177 CE1 PHE A 75 1.772 -0.693 5.061 1.00 0.00 C ATOM 1178 CE2 PHE A 75 4.028 -1.466 4.920 1.00 0.00 C ATOM 1179 CZ PHE A 75 3.102 -0.567 5.408 1.00 0.00 C ATOM 0 H PHE A 75 -0.000 -5.209 4.204 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.052 -2.880 2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.215 -4.698 3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.317 -3.625 1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.325 -1.810 3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.352 -3.191 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.046 0.010 5.442 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.069 -1.370 5.191 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.417 0.234 6.060 1.00 0.00 H new ATOM 1189 N LYS A 76 -0.658 -4.395 0.466 1.00 0.00 N ATOM 1190 CA LYS A 76 -1.017 -5.265 -0.645 1.00 0.00 C ATOM 1191 C LYS A 76 -0.437 -4.781 -1.956 1.00 0.00 C ATOM 1192 O LYS A 76 -0.548 -3.607 -2.310 1.00 0.00 O ATOM 1193 CB LYS A 76 -2.537 -5.364 -0.782 1.00 0.00 C ATOM 1194 CG LYS A 76 -3.103 -6.653 -0.236 1.00 0.00 C ATOM 1195 CD LYS A 76 -2.818 -6.762 1.244 1.00 0.00 C ATOM 1196 CE LYS A 76 -3.741 -5.855 2.048 1.00 0.00 C ATOM 1197 NZ LYS A 76 -4.900 -6.602 2.607 1.00 0.00 N ATOM 0 H LYS A 76 -0.975 -3.430 0.372 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.598 -6.246 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.997 -4.524 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.807 -5.274 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.178 -6.689 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.666 -7.502 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.946 -7.795 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.780 -6.494 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.180 -5.394 2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.102 -5.047 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.308 -6.067 3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.620 -6.729 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.583 -7.533 2.945 1.00 0.00 H new ATOM 1211 N VAL A 77 0.136 -5.712 -2.696 1.00 0.00 N ATOM 1212 CA VAL A 77 0.682 -5.406 -4.001 1.00 0.00 C ATOM 1213 C VAL A 77 -0.281 -5.922 -5.052 1.00 0.00 C ATOM 1214 O VAL A 77 -0.680 -7.086 -5.024 1.00 0.00 O ATOM 1215 CB VAL A 77 2.084 -6.014 -4.213 1.00 0.00 C ATOM 1216 CG1 VAL A 77 2.595 -5.719 -5.619 1.00 0.00 C ATOM 1217 CG2 VAL A 77 3.049 -5.469 -3.172 1.00 0.00 C ATOM 0 H VAL A 77 0.234 -6.687 -2.413 1.00 0.00 H new ATOM 0 HA VAL A 77 0.800 -4.325 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 77 2.014 -7.096 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.585 -6.157 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.912 -6.148 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.654 -4.641 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.036 -5.903 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.110 -4.385 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.693 -5.728 -2.175 1.00 0.00 H new ATOM 1227 N TYR A 78 -0.690 -5.048 -5.949 1.00 0.00 N ATOM 1228 CA TYR A 78 -1.641 -5.424 -6.975 1.00 0.00 C ATOM 1229 C TYR A 78 -0.979 -5.487 -8.346 1.00 0.00 C ATOM 1230 O TYR A 78 -0.355 -4.527 -8.792 1.00 0.00 O ATOM 1231 CB TYR A 78 -2.804 -4.434 -6.982 1.00 0.00 C ATOM 1232 CG TYR A 78 -3.624 -4.442 -5.709 1.00 0.00 C ATOM 1233 CD1 TYR A 78 -3.294 -3.609 -4.647 1.00 0.00 C ATOM 1234 CD2 TYR A 78 -4.727 -5.277 -5.566 1.00 0.00 C ATOM 1235 CE1 TYR A 78 -4.038 -3.608 -3.482 1.00 0.00 C ATOM 1236 CE2 TYR A 78 -5.475 -5.280 -4.404 1.00 0.00 C ATOM 1237 CZ TYR A 78 -5.126 -4.444 -3.365 1.00 0.00 C ATOM 1238 OH TYR A 78 -5.870 -4.444 -2.207 1.00 0.00 O ATOM 0 H TYR A 78 -0.381 -4.077 -5.989 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.020 -6.421 -6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.412 -3.430 -7.144 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.457 -4.661 -7.825 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.442 -2.951 -4.733 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.004 -5.934 -6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.767 -2.954 -2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.329 -5.934 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.594 -3.693 -1.641 1.00 0.00 H new ATOM 1248 N LYS A 79 -1.119 -6.631 -9.006 1.00 0.00 N ATOM 1249 CA LYS A 79 -0.538 -6.839 -10.320 1.00 0.00 C ATOM 1250 C LYS A 79 -1.634 -7.072 -11.346 1.00 0.00 C ATOM 1251 O LYS A 79 -2.536 -7.885 -11.142 1.00 0.00 O ATOM 1252 CB LYS A 79 0.411 -8.034 -10.275 1.00 0.00 C ATOM 1253 CG LYS A 79 1.084 -8.319 -11.599 1.00 0.00 C ATOM 1254 CD LYS A 79 2.574 -8.022 -11.542 1.00 0.00 C ATOM 1255 CE LYS A 79 3.292 -8.528 -12.780 1.00 0.00 C ATOM 1256 NZ LYS A 79 3.394 -10.013 -12.796 1.00 0.00 N ATOM 0 H LYS A 79 -1.635 -7.433 -8.645 1.00 0.00 H new ATOM 0 HA LYS A 79 0.022 -5.950 -10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.175 -7.853 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.145 -8.918 -9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.930 -9.364 -11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.621 -7.716 -12.381 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.728 -6.947 -11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.005 -8.487 -10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.761 -8.191 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.292 -8.095 -12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.058 -10.307 -13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.737 -10.347 -11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.457 -10.423 -12.986 1.00 0.00 H new ATOM 1270 N ASN A 80 -1.557 -6.332 -12.440 1.00 0.00 N ATOM 1271 CA ASN A 80 -2.545 -6.423 -13.501 1.00 0.00 C ATOM 1272 C ASN A 80 -3.937 -6.100 -12.965 1.00 0.00 C ATOM 1273 O ASN A 80 -4.934 -6.662 -13.417 1.00 0.00 O ATOM 1274 CB ASN A 80 -2.535 -7.820 -14.125 1.00 0.00 C ATOM 1275 CG ASN A 80 -1.565 -7.927 -15.288 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -1.829 -7.417 -16.376 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -0.435 -8.592 -15.066 1.00 0.00 N ATOM 0 H ASN A 80 -0.814 -5.656 -12.617 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.288 -5.694 -14.270 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.268 -8.553 -13.364 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.539 -8.069 -14.469 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.252 -8.694 -15.813 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.255 -9.000 -14.149 1.00 0.00 H new ATOM 1284 N GLY A 81 -3.995 -5.168 -12.015 1.00 0.00 N ATOM 1285 CA GLY A 81 -5.263 -4.759 -11.449 1.00 0.00 C ATOM 1286 C GLY A 81 -5.866 -5.771 -10.496 1.00 0.00 C ATOM 1287 O GLY A 81 -7.088 -5.910 -10.439 1.00 0.00 O ATOM 0 H GLY A 81 -3.181 -4.690 -11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.127 -3.815 -10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.968 -4.573 -12.259 1.00 0.00 H new ATOM 1291 N SER A 82 -5.032 -6.474 -9.733 1.00 0.00 N ATOM 1292 CA SER A 82 -5.549 -7.450 -8.786 1.00 0.00 C ATOM 1293 C SER A 82 -4.515 -7.779 -7.726 1.00 0.00 C ATOM 1294 O SER A 82 -3.379 -7.321 -7.799 1.00 0.00 O ATOM 1295 CB SER A 82 -5.990 -8.723 -9.509 1.00 0.00 C ATOM 1296 OG SER A 82 -6.528 -9.667 -8.599 1.00 0.00 O ATOM 0 H SER A 82 -4.016 -6.387 -9.752 1.00 0.00 H new ATOM 0 HA SER A 82 -6.417 -7.011 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.736 -8.476 -10.265 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.140 -9.161 -10.032 1.00 0.00 H new ATOM 0 HG SER A 82 -6.804 -10.471 -9.087 1.00 0.00 H new ATOM 1302 N SER A 83 -4.917 -8.562 -6.732 1.00 0.00 N ATOM 1303 CA SER A 83 -4.018 -8.923 -5.649 1.00 0.00 C ATOM 1304 C SER A 83 -2.925 -9.864 -6.136 1.00 0.00 C ATOM 1305 O SER A 83 -3.184 -10.782 -6.915 1.00 0.00 O ATOM 1306 CB SER A 83 -4.797 -9.567 -4.503 1.00 0.00 C ATOM 1307 OG SER A 83 -5.874 -10.347 -4.992 1.00 0.00 O ATOM 0 H SER A 83 -5.855 -8.956 -6.656 1.00 0.00 H new ATOM 0 HA SER A 83 -3.545 -8.011 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.129 -10.194 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.178 -8.792 -3.838 1.00 0.00 H new ATOM 0 HG SER A 83 -6.355 -10.749 -4.239 1.00 0.00 H new ATOM 1313 N VAL A 84 -1.697 -9.623 -5.682 1.00 0.00 N ATOM 1314 CA VAL A 84 -0.566 -10.439 -6.084 1.00 0.00 C ATOM 1315 C VAL A 84 0.167 -10.993 -4.864 1.00 0.00 C ATOM 1316 O VAL A 84 0.479 -12.182 -4.799 1.00 0.00 O ATOM 1317 CB VAL A 84 0.388 -9.623 -6.992 1.00 0.00 C ATOM 1318 CG1 VAL A 84 1.403 -8.818 -6.202 1.00 0.00 C ATOM 1319 CG2 VAL A 84 1.077 -10.531 -7.999 1.00 0.00 C ATOM 0 H VAL A 84 -1.465 -8.868 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.936 -11.289 -6.657 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.227 -8.903 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.045 -8.267 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.883 -8.117 -5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.012 -9.492 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.743 -9.939 -8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.656 -11.288 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.327 -11.018 -8.623 1.00 0.00 H new ATOM 1329 N ASP A 85 0.415 -10.125 -3.892 1.00 0.00 N ATOM 1330 CA ASP A 85 1.085 -10.516 -2.659 1.00 0.00 C ATOM 1331 C ASP A 85 0.653 -9.597 -1.523 1.00 0.00 C ATOM 1332 O ASP A 85 0.494 -8.393 -1.722 1.00 0.00 O ATOM 1333 CB ASP A 85 2.602 -10.481 -2.835 1.00 0.00 C ATOM 1334 CG ASP A 85 3.190 -11.870 -2.995 1.00 0.00 C ATOM 1335 OD1 ASP A 85 3.154 -12.405 -4.123 1.00 0.00 O ATOM 1336 OD2 ASP A 85 3.686 -12.423 -1.991 1.00 0.00 O ATOM 0 H ASP A 85 0.160 -9.138 -3.935 1.00 0.00 H new ATOM 0 HA ASP A 85 0.800 -11.539 -2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.851 -9.879 -3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.055 -9.993 -1.972 1.00 0.00 H new ATOM 1341 N THR A 86 0.435 -10.163 -0.341 1.00 0.00 N ATOM 1342 CA THR A 86 -0.008 -9.374 0.794 1.00 0.00 C ATOM 1343 C THR A 86 0.939 -9.480 1.986 1.00 0.00 C ATOM 1344 O THR A 86 1.541 -10.527 2.225 1.00 0.00 O ATOM 1345 CB THR A 86 -1.416 -9.804 1.233 1.00 0.00 C ATOM 1346 OG1 THR A 86 -1.383 -11.147 1.730 1.00 0.00 O ATOM 1347 CG2 THR A 86 -2.397 -9.713 0.071 1.00 0.00 C ATOM 0 H THR A 86 0.558 -11.157 -0.148 1.00 0.00 H new ATOM 0 HA THR A 86 -0.019 -8.336 0.463 1.00 0.00 H new ATOM 0 HB THR A 86 -1.749 -9.131 2.023 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.283 -11.414 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.387 -10.022 0.406 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.440 -8.685 -0.289 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.066 -10.366 -0.736 1.00 0.00 H new ATOM 1355 N LEU A 87 1.061 -8.381 2.731 1.00 0.00 N ATOM 1356 CA LEU A 87 1.926 -8.334 3.899 1.00 0.00 C ATOM 1357 C LEU A 87 1.143 -7.846 5.122 1.00 0.00 C ATOM 1358 O LEU A 87 0.593 -6.744 5.117 1.00 0.00 O ATOM 1359 CB LEU A 87 3.128 -7.427 3.595 1.00 0.00 C ATOM 1360 CG LEU A 87 3.481 -6.366 4.641 1.00 0.00 C ATOM 1361 CD1 LEU A 87 3.855 -7.000 5.967 1.00 0.00 C ATOM 1362 CD2 LEU A 87 4.615 -5.502 4.128 1.00 0.00 C ATOM 0 H LEU A 87 0.567 -7.509 2.541 1.00 0.00 H new ATOM 0 HA LEU A 87 2.295 -9.333 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.002 -8.061 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.939 -6.920 2.649 1.00 0.00 H new ATOM 0 HG LEU A 87 2.602 -5.744 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.100 -6.219 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.015 -7.587 6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.719 -7.650 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.864 -4.748 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.489 -6.125 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.309 -5.011 3.204 1.00 0.00 H new ATOM 1374 N LEU A 88 1.093 -8.674 6.165 1.00 0.00 N ATOM 1375 CA LEU A 88 0.372 -8.326 7.389 1.00 0.00 C ATOM 1376 C LEU A 88 1.307 -7.646 8.382 1.00 0.00 C ATOM 1377 O LEU A 88 2.462 -8.043 8.533 1.00 0.00 O ATOM 1378 CB LEU A 88 -0.249 -9.576 8.026 1.00 0.00 C ATOM 1379 CG LEU A 88 -1.488 -10.138 7.316 1.00 0.00 C ATOM 1380 CD1 LEU A 88 -1.104 -11.292 6.403 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -2.528 -10.582 8.334 1.00 0.00 C ATOM 0 H LEU A 88 1.543 -9.589 6.187 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.428 -7.634 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.510 -10.357 8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.518 -9.341 9.056 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.922 -9.348 6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.996 -11.677 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.396 -10.942 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.645 -12.085 6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.400 -10.978 7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.104 -11.356 8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.826 -9.730 8.945 1.00 0.00 H new ATOM 1393 N GLY A 89 0.810 -6.600 9.036 1.00 0.00 N ATOM 1394 CA GLY A 89 1.632 -5.865 9.977 1.00 0.00 C ATOM 1395 C GLY A 89 2.694 -5.077 9.245 1.00 0.00 C ATOM 1396 O GLY A 89 3.276 -5.578 8.283 1.00 0.00 O ATOM 0 H GLY A 89 -0.143 -6.251 8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.009 -5.190 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.101 -6.556 10.677 1.00 0.00 H new ATOM 1400 N ALA A 90 2.944 -3.840 9.662 1.00 0.00 N ATOM 1401 CA ALA A 90 3.937 -3.033 8.974 1.00 0.00 C ATOM 1402 C ALA A 90 5.331 -3.254 9.539 1.00 0.00 C ATOM 1403 O ALA A 90 5.663 -2.788 10.629 1.00 0.00 O ATOM 1404 CB ALA A 90 3.559 -1.564 9.052 1.00 0.00 C ATOM 0 H ALA A 90 2.485 -3.386 10.452 1.00 0.00 H new ATOM 0 HA ALA A 90 3.955 -3.343 7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.309 -0.967 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.587 -1.413 8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.509 -1.256 10.096 1.00 0.00 H new ATOM 1410 N ASN A 91 6.150 -3.935 8.753 1.00 0.00 N ATOM 1411 CA ASN A 91 7.533 -4.200 9.107 1.00 0.00 C ATOM 1412 C ASN A 91 8.436 -3.646 8.015 1.00 0.00 C ATOM 1413 O ASN A 91 8.189 -3.885 6.833 1.00 0.00 O ATOM 1414 CB ASN A 91 7.761 -5.701 9.296 1.00 0.00 C ATOM 1415 CG ASN A 91 7.227 -6.203 10.623 1.00 0.00 C ATOM 1416 OD1 ASN A 91 7.206 -5.473 11.613 1.00 0.00 O ATOM 1417 ND2 ASN A 91 6.794 -7.458 10.649 1.00 0.00 N ATOM 0 H ASN A 91 5.873 -4.320 7.850 1.00 0.00 H new ATOM 0 HA ASN A 91 7.770 -3.710 10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.278 -6.244 8.484 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.828 -5.915 9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.425 -7.852 11.514 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.830 -8.028 9.804 1.00 0.00 H new ATOM 1424 N ASP A 92 9.473 -2.909 8.385 1.00 0.00 N ATOM 1425 CA ASP A 92 10.364 -2.350 7.378 1.00 0.00 C ATOM 1426 C ASP A 92 11.095 -3.479 6.644 1.00 0.00 C ATOM 1427 O ASP A 92 11.245 -3.460 5.425 1.00 0.00 O ATOM 1428 CB ASP A 92 11.383 -1.417 8.036 1.00 0.00 C ATOM 1429 CG ASP A 92 12.205 -2.118 9.100 1.00 0.00 C ATOM 1430 OD1 ASP A 92 11.613 -2.851 9.920 1.00 0.00 O ATOM 1431 OD2 ASP A 92 13.440 -1.935 9.112 1.00 0.00 O ATOM 0 H ASP A 92 9.715 -2.688 9.351 1.00 0.00 H new ATOM 0 HA ASP A 92 9.772 -1.780 6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.049 -1.014 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.861 -0.571 8.483 1.00 0.00 H new ATOM 1436 N SER A 93 11.539 -4.465 7.417 1.00 0.00 N ATOM 1437 CA SER A 93 12.254 -5.627 6.899 1.00 0.00 C ATOM 1438 C SER A 93 11.361 -6.589 6.112 1.00 0.00 C ATOM 1439 O SER A 93 11.795 -7.181 5.125 1.00 0.00 O ATOM 1440 CB SER A 93 12.915 -6.374 8.051 1.00 0.00 C ATOM 1441 OG SER A 93 13.912 -5.581 8.671 1.00 0.00 O ATOM 0 H SER A 93 11.412 -4.480 8.429 1.00 0.00 H new ATOM 0 HA SER A 93 13.002 -5.250 6.201 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.161 -6.655 8.786 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.359 -7.298 7.681 1.00 0.00 H new ATOM 0 HG SER A 93 14.319 -6.084 9.408 1.00 0.00 H new ATOM 1447 N ALA A 94 10.128 -6.773 6.573 1.00 0.00 N ATOM 1448 CA ALA A 94 9.206 -7.701 5.920 1.00 0.00 C ATOM 1449 C ALA A 94 8.768 -7.146 4.595 1.00 0.00 C ATOM 1450 O ALA A 94 8.700 -7.859 3.594 1.00 0.00 O ATOM 1451 CB ALA A 94 8.006 -7.991 6.807 1.00 0.00 C ATOM 0 H ALA A 94 9.745 -6.297 7.390 1.00 0.00 H new ATOM 0 HA ALA A 94 9.727 -8.643 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.336 -8.684 6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.344 -8.435 7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.476 -7.062 7.017 1.00 0.00 H new ATOM 1457 N LEU A 95 8.506 -5.861 4.586 1.00 0.00 N ATOM 1458 CA LEU A 95 8.118 -5.200 3.374 1.00 0.00 C ATOM 1459 C LEU A 95 9.331 -5.079 2.469 1.00 0.00 C ATOM 1460 O LEU A 95 9.208 -5.045 1.245 1.00 0.00 O ATOM 1461 CB LEU A 95 7.561 -3.821 3.677 1.00 0.00 C ATOM 1462 CG LEU A 95 7.716 -2.825 2.536 1.00 0.00 C ATOM 1463 CD1 LEU A 95 6.454 -2.800 1.702 1.00 0.00 C ATOM 1464 CD2 LEU A 95 8.099 -1.456 3.067 1.00 0.00 C ATOM 0 H LEU A 95 8.556 -5.257 5.406 1.00 0.00 H new ATOM 0 HA LEU A 95 7.342 -5.783 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.503 -3.914 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.060 -3.425 4.561 1.00 0.00 H new ATOM 0 HG LEU A 95 8.530 -3.140 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.571 -2.086 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.270 -3.793 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.611 -2.504 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.205 -0.760 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.323 -1.098 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.045 -1.526 3.604 1.00 0.00 H new ATOM 1476 N LYS A 96 10.511 -5.014 3.081 1.00 0.00 N ATOM 1477 CA LYS A 96 11.735 -4.893 2.332 1.00 0.00 C ATOM 1478 C LYS A 96 11.810 -6.026 1.328 1.00 0.00 C ATOM 1479 O LYS A 96 12.013 -5.805 0.138 1.00 0.00 O ATOM 1480 CB LYS A 96 12.930 -4.951 3.288 1.00 0.00 C ATOM 1481 CG LYS A 96 14.283 -4.848 2.606 1.00 0.00 C ATOM 1482 CD LYS A 96 14.316 -3.745 1.561 1.00 0.00 C ATOM 1483 CE LYS A 96 15.424 -3.986 0.561 1.00 0.00 C ATOM 1484 NZ LYS A 96 16.632 -3.166 0.854 1.00 0.00 N ATOM 0 H LYS A 96 10.634 -5.044 4.093 1.00 0.00 H new ATOM 0 HA LYS A 96 11.757 -3.940 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.839 -4.142 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.888 -5.886 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.052 -4.660 3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.524 -5.801 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.357 -3.699 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.463 -2.781 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.693 -5.042 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.064 -3.754 -0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.366 -3.363 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.382 -2.157 0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.993 -3.405 1.800 1.00 0.00 H new ATOM 1498 N GLN A 97 11.614 -7.239 1.823 1.00 0.00 N ATOM 1499 CA GLN A 97 11.629 -8.420 0.976 1.00 0.00 C ATOM 1500 C GLN A 97 10.378 -8.506 0.092 1.00 0.00 C ATOM 1501 O GLN A 97 10.459 -8.978 -1.042 1.00 0.00 O ATOM 1502 CB GLN A 97 11.790 -9.696 1.815 1.00 0.00 C ATOM 1503 CG GLN A 97 10.612 -10.010 2.727 1.00 0.00 C ATOM 1504 CD GLN A 97 10.876 -11.200 3.626 1.00 0.00 C ATOM 1505 OE1 GLN A 97 10.889 -12.345 3.175 1.00 0.00 O ATOM 1506 NE2 GLN A 97 11.091 -10.932 4.910 1.00 0.00 N ATOM 0 H GLN A 97 11.442 -7.430 2.810 1.00 0.00 H new ATOM 0 HA GLN A 97 12.491 -8.331 0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.946 -10.539 1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.689 -9.603 2.424 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.389 -9.137 3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.729 -10.206 2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.071 -9.967 5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.276 -11.691 5.565 1.00 0.00 H new ATOM 1515 N LEU A 98 9.218 -8.059 0.597 1.00 0.00 N ATOM 1516 CA LEU A 98 7.994 -8.114 -0.181 1.00 0.00 C ATOM 1517 C LEU A 98 8.047 -7.146 -1.359 1.00 0.00 C ATOM 1518 O LEU A 98 7.757 -7.510 -2.498 1.00 0.00 O ATOM 1519 CB LEU A 98 6.802 -7.795 0.721 1.00 0.00 C ATOM 1520 CG LEU A 98 5.512 -7.475 -0.023 1.00 0.00 C ATOM 1521 CD1 LEU A 98 4.362 -8.345 0.468 1.00 0.00 C ATOM 1522 CD2 LEU A 98 5.170 -6.000 0.112 1.00 0.00 C ATOM 0 H LEU A 98 9.113 -7.662 1.531 1.00 0.00 H new ATOM 0 HA LEU A 98 7.882 -9.120 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.625 -8.645 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.060 -6.947 1.356 1.00 0.00 H new ATOM 0 HG LEU A 98 5.668 -7.697 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.455 -8.093 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.605 -9.395 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.202 -8.170 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.245 -5.790 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.041 -5.751 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.978 -5.399 -0.307 1.00 0.00 H new ATOM 1534 N ILE A 99 8.422 -5.913 -1.060 1.00 0.00 N ATOM 1535 CA ILE A 99 8.529 -4.866 -2.052 1.00 0.00 C ATOM 1536 C ILE A 99 9.700 -5.133 -2.994 1.00 0.00 C ATOM 1537 O ILE A 99 9.634 -4.843 -4.187 1.00 0.00 O ATOM 1538 CB ILE A 99 8.607 -3.486 -1.336 1.00 0.00 C ATOM 1539 CG1 ILE A 99 7.816 -2.440 -2.106 1.00 0.00 C ATOM 1540 CG2 ILE A 99 10.030 -3.005 -1.110 1.00 0.00 C ATOM 1541 CD1 ILE A 99 8.257 -2.318 -3.538 1.00 0.00 C ATOM 0 H ILE A 99 8.661 -5.613 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 99 7.641 -4.851 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 99 8.165 -3.628 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.757 -2.697 -2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.923 -1.474 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.012 -2.038 -0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.564 -3.726 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.537 -2.905 -2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.659 -1.557 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.309 -2.033 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.124 -3.275 -4.042 1.00 0.00 H new ATOM 1553 N GLU A 100 10.760 -5.711 -2.454 1.00 0.00 N ATOM 1554 CA GLU A 100 11.935 -6.043 -3.241 1.00 0.00 C ATOM 1555 C GLU A 100 11.660 -7.129 -4.279 1.00 0.00 C ATOM 1556 O GLU A 100 12.257 -7.140 -5.353 1.00 0.00 O ATOM 1557 CB GLU A 100 13.065 -6.489 -2.326 1.00 0.00 C ATOM 1558 CG GLU A 100 14.002 -5.361 -1.945 1.00 0.00 C ATOM 1559 CD GLU A 100 15.434 -5.826 -1.765 1.00 0.00 C ATOM 1560 OE1 GLU A 100 15.636 -7.013 -1.436 1.00 0.00 O ATOM 1561 OE2 GLU A 100 16.353 -5.001 -1.954 1.00 0.00 O ATOM 0 H GLU A 100 10.830 -5.961 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 100 12.221 -5.140 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.641 -6.923 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.635 -7.276 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.969 -4.590 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.654 -4.902 -1.020 1.00 0.00 H new ATOM 1568 N LYS A 101 10.799 -8.068 -3.927 1.00 0.00 N ATOM 1569 CA LYS A 101 10.491 -9.194 -4.794 1.00 0.00 C ATOM 1570 C LYS A 101 9.746 -8.800 -6.062 1.00 0.00 C ATOM 1571 O LYS A 101 10.051 -9.293 -7.147 1.00 0.00 O ATOM 1572 CB LYS A 101 9.634 -10.178 -4.016 1.00 0.00 C ATOM 1573 CG LYS A 101 10.329 -11.494 -3.698 1.00 0.00 C ATOM 1574 CD LYS A 101 10.044 -12.559 -4.749 1.00 0.00 C ATOM 1575 CE LYS A 101 8.560 -12.690 -5.034 1.00 0.00 C ATOM 1576 NZ LYS A 101 8.250 -13.912 -5.827 1.00 0.00 N ATOM 0 H LYS A 101 10.297 -8.073 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 101 11.441 -9.629 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.320 -9.711 -3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.730 -10.386 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.404 -11.329 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.000 -11.851 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.570 -12.309 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.434 -13.518 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.011 -12.720 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.216 -11.809 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.226 -13.963 -6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.753 -13.872 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.555 -14.755 -5.299 1.00 0.00 H new ATOM 1590 N TYR A 102 8.752 -7.940 -5.921 1.00 0.00 N ATOM 1591 CA TYR A 102 7.953 -7.526 -7.064 1.00 0.00 C ATOM 1592 C TYR A 102 8.405 -6.192 -7.600 1.00 0.00 C ATOM 1593 O TYR A 102 8.053 -5.805 -8.714 1.00 0.00 O ATOM 1594 CB TYR A 102 6.475 -7.441 -6.692 1.00 0.00 C ATOM 1595 CG TYR A 102 6.124 -8.232 -5.463 1.00 0.00 C ATOM 1596 CD1 TYR A 102 6.611 -9.515 -5.294 1.00 0.00 C ATOM 1597 CD2 TYR A 102 5.316 -7.695 -4.477 1.00 0.00 C ATOM 1598 CE1 TYR A 102 6.310 -10.249 -4.173 1.00 0.00 C ATOM 1599 CE2 TYR A 102 5.005 -8.423 -3.343 1.00 0.00 C ATOM 1600 CZ TYR A 102 5.507 -9.701 -3.195 1.00 0.00 C ATOM 1601 OH TYR A 102 5.211 -10.428 -2.066 1.00 0.00 O ATOM 0 H TYR A 102 8.479 -7.517 -5.034 1.00 0.00 H new ATOM 0 HA TYR A 102 8.090 -8.281 -7.839 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.207 -6.397 -6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.876 -7.799 -7.529 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.240 -9.948 -6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.923 -6.696 -4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 102 6.700 -11.250 -4.058 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.374 -7.995 -2.578 1.00 0.00 H new ATOM 0 HH TYR A 102 5.299 -11.384 -2.261 1.00 0.00 H new ATOM 1611 N ALA A 103 9.161 -5.477 -6.794 1.00 0.00 N ATOM 1612 CA ALA A 103 9.625 -4.164 -7.195 1.00 0.00 C ATOM 1613 C ALA A 103 11.135 -4.117 -7.337 1.00 0.00 C ATOM 1614 O ALA A 103 11.660 -3.420 -8.206 1.00 0.00 O ATOM 1615 CB ALA A 103 9.126 -3.122 -6.215 1.00 0.00 C ATOM 0 H ALA A 103 9.465 -5.777 -5.868 1.00 0.00 H new ATOM 0 HA ALA A 103 9.215 -3.942 -8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.478 -2.137 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.036 -3.130 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.505 -3.349 -5.218 1.00 0.00 H new ATOM 1621 N ALA A 104 11.838 -4.867 -6.499 1.00 0.00 N ATOM 1622 CA ALA A 104 13.298 -4.893 -6.580 1.00 0.00 C ATOM 1623 C ALA A 104 13.791 -6.152 -7.285 1.00 0.00 C ATOM 1624 CB ALA A 104 13.935 -4.774 -5.205 1.00 0.00 C ATOM 0 H ALA A 104 11.435 -5.455 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 104 13.601 -4.028 -7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.020 -4.797 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.632 -3.834 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.610 -5.606 -4.580 1.00 0.00 H new