USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 52 THR OG1 : rot -70:sc= 1.63 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -148:sc= 0.691 (180deg=0.225) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc=-0.00207 X(o=-0.0021,f=-0.43) USER MOD Single : A 19 CYS SG : rot 180:sc=-0.00558 USER MOD Single : A 26 LYS NZ :NH3+ -148:sc= 1.26 (180deg=0.896) USER MOD Single : A 31 CYS SG : rot -20:sc= 0.00746 USER MOD Single : A 33 GLN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A 34 TYR OH : rot 8:sc= 0.226 USER MOD Single : A 36 GLN : amide:sc= 0.729 K(o=0.73,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 41 MET CE :methyl 174:sc= -0.976 (180deg=-1.11) USER MOD Single : A 49 CYS SG : rot 11:sc= 0.0426 USER MOD Single : A 50 THR OG1 : rot -170:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= 0.308 K(o=0.31,f=-1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 77:sc= 0.807 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0.644 (180deg=0.609) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 4 9.577 0.799 1.729 1.00 0.00 N ATOM 40 CA SER A 4 10.444 1.607 0.851 1.00 0.00 C ATOM 41 C SER A 4 11.689 2.178 1.560 1.00 0.00 C ATOM 42 O SER A 4 11.610 2.817 2.613 1.00 0.00 O ATOM 43 CB SER A 4 9.683 2.735 0.135 1.00 0.00 C ATOM 44 OG SER A 4 10.525 3.369 -0.820 1.00 0.00 O ATOM 0 HA SER A 4 10.795 0.899 0.100 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.800 2.330 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.333 3.466 0.864 1.00 0.00 H new ATOM 0 HG SER A 4 10.029 4.084 -1.270 1.00 0.00 H new ATOM 50 N ALA A 5 12.858 2.010 0.926 1.00 0.00 N ATOM 51 CA ALA A 5 14.141 2.522 1.408 1.00 0.00 C ATOM 52 C ALA A 5 14.167 4.056 1.514 1.00 0.00 C ATOM 53 O ALA A 5 14.711 4.599 2.477 1.00 0.00 O ATOM 54 CB ALA A 5 15.231 2.003 0.457 1.00 0.00 C ATOM 0 H ALA A 5 12.936 1.503 0.045 1.00 0.00 H new ATOM 0 HA ALA A 5 14.315 2.164 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.204 2.366 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.230 0.913 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.033 2.361 -0.553 1.00 0.00 H new ATOM 60 N GLN A 6 13.537 4.751 0.564 1.00 0.00 N ATOM 61 CA GLN A 6 13.518 6.216 0.502 1.00 0.00 C ATOM 62 C GLN A 6 12.668 6.836 1.621 1.00 0.00 C ATOM 63 O GLN A 6 12.961 7.950 2.066 1.00 0.00 O ATOM 64 CB GLN A 6 13.014 6.671 -0.878 1.00 0.00 C ATOM 65 CG GLN A 6 13.955 6.242 -2.020 1.00 0.00 C ATOM 66 CD GLN A 6 13.510 6.799 -3.373 1.00 0.00 C ATOM 67 OE1 GLN A 6 12.867 6.135 -4.182 1.00 0.00 O ATOM 68 NE2 GLN A 6 13.822 8.045 -3.682 1.00 0.00 N ATOM 0 H GLN A 6 13.019 4.307 -0.194 1.00 0.00 H new ATOM 0 HA GLN A 6 14.539 6.568 0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.022 6.256 -1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.911 7.756 -0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.967 6.584 -1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.990 5.154 -2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.355 8.615 -3.025 1.00 0.00 H new ATOM 0 HE22 GLN A 6 13.529 8.437 -4.577 1.00 0.00 H new ATOM 77 N GLN A 7 11.647 6.127 2.117 1.00 0.00 N ATOM 78 CA GLN A 7 10.805 6.590 3.227 1.00 0.00 C ATOM 79 C GLN A 7 11.465 6.334 4.591 1.00 0.00 C ATOM 80 O GLN A 7 11.219 7.085 5.535 1.00 0.00 O ATOM 81 CB GLN A 7 9.425 5.914 3.169 1.00 0.00 C ATOM 82 CG GLN A 7 8.643 6.284 1.895 1.00 0.00 C ATOM 83 CD GLN A 7 7.161 5.881 1.938 1.00 0.00 C ATOM 84 OE1 GLN A 7 6.270 6.690 1.707 1.00 0.00 O ATOM 85 NE2 GLN A 7 6.831 4.637 2.235 1.00 0.00 N ATOM 0 H GLN A 7 11.380 5.211 1.758 1.00 0.00 H new ATOM 0 HA GLN A 7 10.682 7.667 3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.551 4.832 3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.845 6.203 4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.713 7.360 1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.116 5.805 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.558 3.949 2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.849 4.364 2.269 1.00 0.00 H new ATOM 94 N LEU A 8 12.327 5.311 4.705 1.00 0.00 N ATOM 95 CA LEU A 8 13.048 4.980 5.936 1.00 0.00 C ATOM 96 C LEU A 8 14.308 5.838 6.118 1.00 0.00 C ATOM 97 O LEU A 8 14.553 6.358 7.207 1.00 0.00 O ATOM 98 CB LEU A 8 13.339 3.462 5.935 1.00 0.00 C ATOM 99 CG LEU A 8 13.751 2.923 7.327 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.156 1.528 7.546 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.277 2.864 7.498 1.00 0.00 C ATOM 0 H LEU A 8 12.543 4.683 3.930 1.00 0.00 H new ATOM 0 HA LEU A 8 12.429 5.216 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.452 2.928 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.134 3.251 5.220 1.00 0.00 H new ATOM 0 HG LEU A 8 13.360 3.617 8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.451 1.157 8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.069 1.583 7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.524 0.850 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.517 2.480 8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.703 2.206 6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.695 3.864 7.385 1.00 0.00 H new ATOM 113 N ALA A 9 15.108 6.010 5.062 1.00 0.00 N ATOM 114 CA ALA A 9 16.426 6.636 5.133 1.00 0.00 C ATOM 115 C ALA A 9 16.414 8.144 5.471 1.00 0.00 C ATOM 116 O ALA A 9 17.407 8.664 5.979 1.00 0.00 O ATOM 117 CB ALA A 9 17.148 6.378 3.806 1.00 0.00 C ATOM 0 H ALA A 9 14.852 5.713 4.120 1.00 0.00 H new ATOM 0 HA ALA A 9 16.954 6.180 5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.136 6.837 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.251 5.304 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.571 6.810 2.988 1.00 0.00 H new ATOM 123 N GLU A 10 15.308 8.850 5.215 1.00 0.00 N ATOM 124 CA GLU A 10 15.213 10.301 5.396 1.00 0.00 C ATOM 125 C GLU A 10 15.272 10.734 6.875 1.00 0.00 C ATOM 126 O GLU A 10 15.848 11.777 7.196 1.00 0.00 O ATOM 127 CB GLU A 10 13.938 10.812 4.707 1.00 0.00 C ATOM 128 CG GLU A 10 13.904 12.344 4.610 1.00 0.00 C ATOM 129 CD GLU A 10 12.762 12.823 3.698 1.00 0.00 C ATOM 130 OE1 GLU A 10 12.980 12.954 2.467 1.00 0.00 O ATOM 131 OE2 GLU A 10 11.646 13.089 4.200 1.00 0.00 O ATOM 0 H GLU A 10 14.446 8.426 4.873 1.00 0.00 H new ATOM 0 HA GLU A 10 16.088 10.755 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.872 10.385 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.065 10.465 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.780 12.770 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.857 12.707 4.224 1.00 0.00 H new ATOM 138 N GLU A 11 14.741 9.920 7.801 1.00 0.00 N ATOM 139 CA GLU A 11 14.745 10.216 9.240 1.00 0.00 C ATOM 140 C GLU A 11 16.115 9.995 9.915 1.00 0.00 C ATOM 141 O GLU A 11 16.378 10.616 10.944 1.00 0.00 O ATOM 142 CB GLU A 11 13.656 9.388 9.950 1.00 0.00 C ATOM 143 CG GLU A 11 12.316 10.124 10.074 1.00 0.00 C ATOM 144 CD GLU A 11 11.741 10.589 8.726 1.00 0.00 C ATOM 145 OE1 GLU A 11 11.374 9.727 7.895 1.00 0.00 O ATOM 146 OE2 GLU A 11 11.615 11.818 8.512 1.00 0.00 O ATOM 0 H GLU A 11 14.294 9.033 7.569 1.00 0.00 H new ATOM 0 HA GLU A 11 14.530 11.280 9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.502 8.458 9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.007 9.117 10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.594 9.468 10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.446 10.991 10.722 1.00 0.00 H new ATOM 153 N LEU A 12 17.000 9.166 9.345 1.00 0.00 N ATOM 154 CA LEU A 12 18.327 8.850 9.896 1.00 0.00 C ATOM 155 C LEU A 12 19.137 10.118 10.227 1.00 0.00 C ATOM 156 O LEU A 12 19.646 10.265 11.338 1.00 0.00 O ATOM 157 CB LEU A 12 19.103 7.976 8.879 1.00 0.00 C ATOM 158 CG LEU A 12 18.523 6.572 8.602 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.350 5.906 7.493 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.552 5.671 9.843 1.00 0.00 C ATOM 0 H LEU A 12 16.809 8.684 8.466 1.00 0.00 H new ATOM 0 HA LEU A 12 18.184 8.308 10.831 1.00 0.00 H new ATOM 0 HB2 LEU A 12 19.157 8.517 7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 12 20.125 7.859 9.238 1.00 0.00 H new ATOM 0 HG LEU A 12 17.482 6.697 8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.950 4.913 7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.300 6.512 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.388 5.820 7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.133 4.696 9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.581 5.549 10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.962 6.127 10.638 1.00 0.00 H new ATOM 172 N GLN A 13 19.195 11.057 9.280 1.00 0.00 N ATOM 173 CA GLN A 13 19.993 12.285 9.373 1.00 0.00 C ATOM 174 C GLN A 13 19.428 13.320 10.371 1.00 0.00 C ATOM 175 O GLN A 13 20.134 14.267 10.722 1.00 0.00 O ATOM 176 CB GLN A 13 20.128 12.894 7.965 1.00 0.00 C ATOM 177 CG GLN A 13 21.018 12.060 7.017 1.00 0.00 C ATOM 178 CD GLN A 13 22.513 12.073 7.380 1.00 0.00 C ATOM 179 OE1 GLN A 13 22.987 12.799 8.251 1.00 0.00 O ATOM 180 NE2 GLN A 13 23.327 11.278 6.712 1.00 0.00 N ATOM 0 H GLN A 13 18.676 10.984 8.405 1.00 0.00 H new ATOM 0 HA GLN A 13 20.972 12.013 9.768 1.00 0.00 H new ATOM 0 HB2 GLN A 13 19.136 12.995 7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 13 20.543 13.898 8.050 1.00 0.00 H new ATOM 0 HG2 GLN A 13 20.664 11.029 7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 13 20.899 12.436 6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 13 22.958 10.666 5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.325 11.276 6.923 1.00 0.00 H new ATOM 189 N ILE A 14 18.195 13.141 10.867 1.00 0.00 N ATOM 190 CA ILE A 14 17.622 13.989 11.928 1.00 0.00 C ATOM 191 C ILE A 14 18.275 13.651 13.280 1.00 0.00 C ATOM 192 O ILE A 14 18.614 14.553 14.054 1.00 0.00 O ATOM 193 CB ILE A 14 16.079 13.841 11.982 1.00 0.00 C ATOM 194 CG1 ILE A 14 15.462 14.158 10.597 1.00 0.00 C ATOM 195 CG2 ILE A 14 15.479 14.748 13.074 1.00 0.00 C ATOM 196 CD1 ILE A 14 13.934 14.012 10.531 1.00 0.00 C ATOM 0 H ILE A 14 17.566 12.405 10.546 1.00 0.00 H new ATOM 0 HA ILE A 14 17.835 15.034 11.701 1.00 0.00 H new ATOM 0 HB ILE A 14 15.838 12.809 12.238 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.729 15.178 10.319 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.910 13.498 9.854 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.396 14.627 13.093 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.892 14.471 14.044 1.00 0.00 H new ATOM 0 HG23 ILE A 14 15.724 15.788 12.858 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.589 14.253 9.526 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.656 12.987 10.774 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.472 14.693 11.246 1.00 0.00 H new ATOM 208 N PHE A 15 18.509 12.359 13.541 1.00 0.00 N ATOM 209 CA PHE A 15 19.220 11.856 14.723 1.00 0.00 C ATOM 210 C PHE A 15 20.752 11.843 14.550 1.00 0.00 C ATOM 211 O PHE A 15 21.485 11.685 15.532 1.00 0.00 O ATOM 212 CB PHE A 15 18.709 10.438 15.019 1.00 0.00 C ATOM 213 CG PHE A 15 17.218 10.347 15.285 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.701 10.797 16.514 1.00 0.00 C ATOM 215 CD2 PHE A 15 16.346 9.829 14.308 1.00 0.00 C ATOM 216 CE1 PHE A 15 15.318 10.734 16.763 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.967 9.771 14.556 1.00 0.00 C ATOM 218 CZ PHE A 15 14.451 10.221 15.785 1.00 0.00 C ATOM 0 H PHE A 15 18.200 11.613 12.918 1.00 0.00 H new ATOM 0 HA PHE A 15 19.017 12.532 15.554 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.954 9.794 14.175 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.244 10.046 15.884 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.367 11.191 17.267 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.740 9.476 13.366 1.00 0.00 H new ATOM 0 HE1 PHE A 15 14.923 11.080 17.707 1.00 0.00 H new ATOM 0 HE2 PHE A 15 14.300 9.380 13.802 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.389 10.172 15.976 1.00 0.00 H new ATOM 228 N GLY A 16 21.240 11.998 13.315 1.00 0.00 N ATOM 229 CA GLY A 16 22.665 11.944 12.953 1.00 0.00 C ATOM 230 C GLY A 16 23.157 10.552 12.536 1.00 0.00 C ATOM 231 O GLY A 16 24.366 10.351 12.439 1.00 0.00 O ATOM 0 H GLY A 16 20.636 12.170 12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.847 12.641 12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 16 23.257 12.287 13.802 1.00 0.00 H new ATOM 235 N LEU A 17 22.249 9.596 12.300 1.00 0.00 N ATOM 236 CA LEU A 17 22.576 8.290 11.716 1.00 0.00 C ATOM 237 C LEU A 17 22.867 8.416 10.212 1.00 0.00 C ATOM 238 O LEU A 17 22.428 9.353 9.540 1.00 0.00 O ATOM 239 CB LEU A 17 21.425 7.284 11.939 1.00 0.00 C ATOM 240 CG LEU A 17 21.041 6.968 13.398 1.00 0.00 C ATOM 241 CD1 LEU A 17 19.935 5.904 13.379 1.00 0.00 C ATOM 242 CD2 LEU A 17 22.227 6.462 14.229 1.00 0.00 C ATOM 0 H LEU A 17 21.258 9.709 12.511 1.00 0.00 H new ATOM 0 HA LEU A 17 23.471 7.921 12.217 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.539 7.666 11.431 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.694 6.348 11.450 1.00 0.00 H new ATOM 0 HG LEU A 17 20.701 7.891 13.868 1.00 0.00 H new ATOM 0 HD11 LEU A 17 19.645 5.662 14.402 1.00 0.00 H new ATOM 0 HD12 LEU A 17 19.070 6.288 12.838 1.00 0.00 H new ATOM 0 HD13 LEU A 17 20.303 5.005 12.884 1.00 0.00 H new ATOM 0 HD21 LEU A 17 21.896 6.256 15.247 1.00 0.00 H new ATOM 0 HD22 LEU A 17 22.620 5.548 13.783 1.00 0.00 H new ATOM 0 HD23 LEU A 17 23.008 7.222 14.248 1.00 0.00 H new ATOM 254 N ASP A 18 23.555 7.412 9.671 1.00 0.00 N ATOM 255 CA ASP A 18 23.793 7.222 8.243 1.00 0.00 C ATOM 256 C ASP A 18 24.011 5.725 7.952 1.00 0.00 C ATOM 257 O ASP A 18 24.766 5.051 8.658 1.00 0.00 O ATOM 258 CB ASP A 18 25.002 8.055 7.794 1.00 0.00 C ATOM 259 CG ASP A 18 25.269 7.918 6.286 1.00 0.00 C ATOM 260 OD1 ASP A 18 24.395 8.330 5.491 1.00 0.00 O ATOM 261 OD2 ASP A 18 26.352 7.406 5.910 1.00 0.00 O ATOM 0 H ASP A 18 23.979 6.679 10.240 1.00 0.00 H new ATOM 0 HA ASP A 18 22.924 7.561 7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.830 9.103 8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.886 7.739 8.349 1.00 0.00 H new ATOM 266 N CYS A 19 23.341 5.216 6.909 1.00 0.00 N ATOM 267 CA CYS A 19 23.344 3.802 6.519 1.00 0.00 C ATOM 268 C CYS A 19 23.634 3.621 5.016 1.00 0.00 C ATOM 269 O CYS A 19 23.214 4.438 4.189 1.00 0.00 O ATOM 270 CB CYS A 19 21.975 3.191 6.870 1.00 0.00 C ATOM 271 SG CYS A 19 21.733 3.101 8.666 1.00 0.00 S ATOM 0 H CYS A 19 22.766 5.795 6.297 1.00 0.00 H new ATOM 0 HA CYS A 19 24.139 3.293 7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.182 3.791 6.424 1.00 0.00 H new ATOM 0 HB3 CYS A 19 21.899 2.192 6.440 1.00 0.00 H new ATOM 0 HG CYS A 19 20.568 2.583 8.922 1.00 0.00 H new ATOM 277 N GLU A 20 24.289 2.515 4.668 1.00 0.00 N ATOM 278 CA GLU A 20 24.322 2.000 3.294 1.00 0.00 C ATOM 279 C GLU A 20 22.997 1.312 2.928 1.00 0.00 C ATOM 280 O GLU A 20 22.243 0.886 3.807 1.00 0.00 O ATOM 281 CB GLU A 20 25.512 1.052 3.086 1.00 0.00 C ATOM 282 CG GLU A 20 25.528 -0.201 3.977 1.00 0.00 C ATOM 283 CD GLU A 20 26.806 -1.017 3.730 1.00 0.00 C ATOM 284 OE1 GLU A 20 26.851 -1.798 2.750 1.00 0.00 O ATOM 285 OE2 GLU A 20 27.779 -0.880 4.509 1.00 0.00 O ATOM 0 H GLU A 20 24.815 1.946 5.331 1.00 0.00 H new ATOM 0 HA GLU A 20 24.452 2.850 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.522 0.734 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.432 1.610 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.472 0.090 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.651 -0.814 3.769 1.00 0.00 H new ATOM 292 N GLU A 21 22.742 1.152 1.630 1.00 0.00 N ATOM 293 CA GLU A 21 21.526 0.530 1.097 1.00 0.00 C ATOM 294 C GLU A 21 21.287 -0.880 1.663 1.00 0.00 C ATOM 295 O GLU A 21 20.141 -1.242 1.929 1.00 0.00 O ATOM 296 CB GLU A 21 21.575 0.473 -0.443 1.00 0.00 C ATOM 297 CG GLU A 21 21.722 1.833 -1.143 1.00 0.00 C ATOM 298 CD GLU A 21 23.186 2.167 -1.469 1.00 0.00 C ATOM 299 OE1 GLU A 21 23.975 2.432 -0.534 1.00 0.00 O ATOM 300 OE2 GLU A 21 23.561 2.169 -2.666 1.00 0.00 O ATOM 0 H GLU A 21 23.388 1.457 0.902 1.00 0.00 H new ATOM 0 HA GLU A 21 20.692 1.156 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.409 -0.163 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.664 -0.006 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.139 1.830 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.307 2.614 -0.506 1.00 0.00 H new ATOM 307 N ALA A 22 22.348 -1.660 1.922 1.00 0.00 N ATOM 308 CA ALA A 22 22.247 -3.000 2.506 1.00 0.00 C ATOM 309 C ALA A 22 21.737 -2.984 3.962 1.00 0.00 C ATOM 310 O ALA A 22 21.058 -3.928 4.381 1.00 0.00 O ATOM 311 CB ALA A 22 23.618 -3.677 2.397 1.00 0.00 C ATOM 0 H ALA A 22 23.307 -1.373 1.729 1.00 0.00 H new ATOM 0 HA ALA A 22 21.503 -3.568 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.565 -4.677 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.907 -3.747 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.359 -3.088 2.938 1.00 0.00 H new ATOM 317 N LEU A 23 22.023 -1.924 4.738 1.00 0.00 N ATOM 318 CA LEU A 23 21.489 -1.738 6.093 1.00 0.00 C ATOM 319 C LEU A 23 20.104 -1.078 6.068 1.00 0.00 C ATOM 320 O LEU A 23 19.250 -1.446 6.864 1.00 0.00 O ATOM 321 CB LEU A 23 22.483 -0.945 6.965 1.00 0.00 C ATOM 322 CG LEU A 23 23.841 -1.638 7.188 1.00 0.00 C ATOM 323 CD1 LEU A 23 24.670 -0.805 8.172 1.00 0.00 C ATOM 324 CD2 LEU A 23 23.716 -3.083 7.701 1.00 0.00 C ATOM 0 H LEU A 23 22.637 -1.167 4.437 1.00 0.00 H new ATOM 0 HA LEU A 23 21.362 -2.723 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.658 0.026 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.023 -0.756 7.935 1.00 0.00 H new ATOM 0 HG LEU A 23 24.334 -1.701 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.633 -1.288 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.829 0.192 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.138 -0.726 9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.710 -3.509 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.188 -3.086 8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.161 -3.679 6.977 1.00 0.00 H new ATOM 336 N ILE A 24 19.826 -0.174 5.128 1.00 0.00 N ATOM 337 CA ILE A 24 18.462 0.370 4.925 1.00 0.00 C ATOM 338 C ILE A 24 17.487 -0.767 4.569 1.00 0.00 C ATOM 339 O ILE A 24 16.431 -0.901 5.196 1.00 0.00 O ATOM 340 CB ILE A 24 18.467 1.499 3.868 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.319 2.704 4.335 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.027 1.972 3.586 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.746 3.651 3.209 1.00 0.00 C ATOM 0 H ILE A 24 20.523 0.205 4.487 1.00 0.00 H new ATOM 0 HA ILE A 24 18.115 0.819 5.856 1.00 0.00 H new ATOM 0 HB ILE A 24 18.907 1.095 2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.752 3.270 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.211 2.330 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.045 2.767 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.436 1.136 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.581 2.348 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.339 4.466 3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.343 3.103 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.861 4.058 2.721 1.00 0.00 H new ATOM 355 N GLU A 25 17.869 -1.640 3.635 1.00 0.00 N ATOM 356 CA GLU A 25 17.139 -2.868 3.297 1.00 0.00 C ATOM 357 C GLU A 25 16.934 -3.765 4.527 1.00 0.00 C ATOM 358 O GLU A 25 15.848 -4.314 4.695 1.00 0.00 O ATOM 359 CB GLU A 25 17.887 -3.646 2.200 1.00 0.00 C ATOM 360 CG GLU A 25 17.701 -3.044 0.797 1.00 0.00 C ATOM 361 CD GLU A 25 16.319 -3.363 0.209 1.00 0.00 C ATOM 362 OE1 GLU A 25 16.128 -4.486 -0.314 1.00 0.00 O ATOM 363 OE2 GLU A 25 15.428 -2.480 0.233 1.00 0.00 O ATOM 0 H GLU A 25 18.714 -1.512 3.078 1.00 0.00 H new ATOM 0 HA GLU A 25 16.156 -2.575 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 25 18.950 -3.669 2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.539 -4.679 2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.832 -1.963 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.475 -3.429 0.133 1.00 0.00 H new ATOM 370 N LYS A 26 17.918 -3.885 5.428 1.00 0.00 N ATOM 371 CA LYS A 26 17.747 -4.642 6.674 1.00 0.00 C ATOM 372 C LYS A 26 16.587 -4.099 7.527 1.00 0.00 C ATOM 373 O LYS A 26 15.743 -4.889 7.950 1.00 0.00 O ATOM 374 CB LYS A 26 19.082 -4.742 7.438 1.00 0.00 C ATOM 375 CG LYS A 26 19.017 -5.505 8.773 1.00 0.00 C ATOM 376 CD LYS A 26 18.566 -6.966 8.657 1.00 0.00 C ATOM 377 CE LYS A 26 18.477 -7.585 10.058 1.00 0.00 C ATOM 378 NZ LYS A 26 18.022 -8.998 10.001 1.00 0.00 N ATOM 0 H LYS A 26 18.842 -3.467 5.317 1.00 0.00 H new ATOM 0 HA LYS A 26 17.457 -5.661 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.815 -5.229 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.448 -3.734 7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.002 -5.479 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.335 -4.981 9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.597 -7.021 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.270 -7.528 8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.453 -7.535 10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.787 -7.004 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.470 -9.220 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.428 -9.138 9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.849 -9.627 9.950 1.00 0.00 H new ATOM 392 N LEU A 27 16.476 -2.777 7.734 1.00 0.00 N ATOM 393 CA LEU A 27 15.345 -2.192 8.469 1.00 0.00 C ATOM 394 C LEU A 27 14.036 -2.257 7.670 1.00 0.00 C ATOM 395 O LEU A 27 12.999 -2.552 8.263 1.00 0.00 O ATOM 396 CB LEU A 27 15.634 -0.746 8.916 1.00 0.00 C ATOM 397 CG LEU A 27 16.631 -0.527 10.074 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.310 -1.366 11.321 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.074 -0.766 9.629 1.00 0.00 C ATOM 0 H LEU A 27 17.157 -2.093 7.402 1.00 0.00 H new ATOM 0 HA LEU A 27 15.218 -2.802 9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.004 -0.197 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.686 -0.290 9.202 1.00 0.00 H new ATOM 0 HG LEU A 27 16.521 0.519 10.359 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.049 -1.164 12.096 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.318 -1.105 11.689 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.335 -2.425 11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.746 -0.602 10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.180 -1.791 9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.326 -0.075 8.824 1.00 0.00 H new ATOM 411 N VAL A 28 14.063 -2.053 6.351 1.00 0.00 N ATOM 412 CA VAL A 28 12.865 -2.200 5.491 1.00 0.00 C ATOM 413 C VAL A 28 12.304 -3.634 5.566 1.00 0.00 C ATOM 414 O VAL A 28 11.089 -3.803 5.705 1.00 0.00 O ATOM 415 CB VAL A 28 13.148 -1.783 4.027 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.022 -2.165 3.051 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.345 -0.259 3.932 1.00 0.00 C ATOM 0 H VAL A 28 14.905 -1.783 5.843 1.00 0.00 H new ATOM 0 HA VAL A 28 12.105 -1.519 5.875 1.00 0.00 H new ATOM 0 HB VAL A 28 14.050 -2.324 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.288 -1.842 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.883 -3.246 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.096 -1.678 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.543 0.018 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.443 0.247 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.189 0.038 4.555 1.00 0.00 H new ATOM 427 N GLU A 29 13.159 -4.663 5.570 1.00 0.00 N ATOM 428 CA GLU A 29 12.744 -6.054 5.786 1.00 0.00 C ATOM 429 C GLU A 29 12.073 -6.248 7.153 1.00 0.00 C ATOM 430 O GLU A 29 11.073 -6.969 7.223 1.00 0.00 O ATOM 431 CB GLU A 29 13.944 -7.009 5.642 1.00 0.00 C ATOM 432 CG GLU A 29 14.367 -7.242 4.186 1.00 0.00 C ATOM 433 CD GLU A 29 13.374 -8.145 3.434 1.00 0.00 C ATOM 434 OE1 GLU A 29 13.420 -9.384 3.625 1.00 0.00 O ATOM 435 OE2 GLU A 29 12.553 -7.633 2.637 1.00 0.00 O ATOM 0 H GLU A 29 14.162 -4.554 5.423 1.00 0.00 H new ATOM 0 HA GLU A 29 12.007 -6.292 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.790 -6.604 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.693 -7.967 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.445 -6.283 3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.358 -7.696 4.165 1.00 0.00 H new ATOM 442 N LEU A 30 12.530 -5.579 8.222 1.00 0.00 N ATOM 443 CA LEU A 30 11.823 -5.612 9.510 1.00 0.00 C ATOM 444 C LEU A 30 10.438 -4.974 9.379 1.00 0.00 C ATOM 445 O LEU A 30 9.454 -5.579 9.794 1.00 0.00 O ATOM 446 CB LEU A 30 12.620 -4.949 10.657 1.00 0.00 C ATOM 447 CG LEU A 30 14.079 -5.377 10.876 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.595 -4.794 12.199 1.00 0.00 C ATOM 449 CD2 LEU A 30 14.292 -6.895 10.862 1.00 0.00 C ATOM 0 H LEU A 30 13.379 -5.013 8.221 1.00 0.00 H new ATOM 0 HA LEU A 30 11.712 -6.663 9.777 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.612 -3.872 10.488 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.078 -5.130 11.585 1.00 0.00 H new ATOM 0 HG LEU A 30 14.644 -4.982 10.031 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.630 -5.099 12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.539 -3.706 12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.983 -5.162 13.022 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.347 -7.116 11.023 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.700 -7.353 11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.980 -7.297 9.898 1.00 0.00 H new ATOM 461 N CYS A 31 10.323 -3.795 8.757 1.00 0.00 N ATOM 462 CA CYS A 31 9.035 -3.118 8.554 1.00 0.00 C ATOM 463 C CYS A 31 8.019 -3.968 7.768 1.00 0.00 C ATOM 464 O CYS A 31 6.824 -3.938 8.062 1.00 0.00 O ATOM 465 CB CYS A 31 9.284 -1.769 7.854 1.00 0.00 C ATOM 466 SG CYS A 31 10.218 -0.664 8.943 1.00 0.00 S ATOM 0 H CYS A 31 11.120 -3.282 8.380 1.00 0.00 H new ATOM 0 HA CYS A 31 8.586 -2.956 9.534 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.834 -1.928 6.927 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.333 -1.309 7.586 1.00 0.00 H new ATOM 0 HG CYS A 31 10.102 -1.067 10.173 1.00 0.00 H new ATOM 472 N VAL A 32 8.508 -4.738 6.794 1.00 0.00 N ATOM 473 CA VAL A 32 7.696 -5.640 5.958 1.00 0.00 C ATOM 474 C VAL A 32 7.287 -6.913 6.725 1.00 0.00 C ATOM 475 O VAL A 32 6.142 -7.344 6.601 1.00 0.00 O ATOM 476 CB VAL A 32 8.439 -5.969 4.639 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.771 -7.082 3.814 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.513 -4.703 3.767 1.00 0.00 C ATOM 0 H VAL A 32 9.499 -4.756 6.555 1.00 0.00 H new ATOM 0 HA VAL A 32 6.771 -5.125 5.700 1.00 0.00 H new ATOM 0 HB VAL A 32 9.428 -6.325 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.347 -7.257 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.734 -7.999 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.758 -6.780 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.035 -4.931 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.504 -4.358 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.052 -3.922 4.304 1.00 0.00 H new ATOM 488 N GLN A 33 8.184 -7.505 7.527 1.00 0.00 N ATOM 489 CA GLN A 33 7.922 -8.749 8.260 1.00 0.00 C ATOM 490 C GLN A 33 7.090 -8.527 9.537 1.00 0.00 C ATOM 491 O GLN A 33 6.086 -9.204 9.750 1.00 0.00 O ATOM 492 CB GLN A 33 9.275 -9.406 8.590 1.00 0.00 C ATOM 493 CG GLN A 33 9.109 -10.798 9.215 1.00 0.00 C ATOM 494 CD GLN A 33 10.458 -11.464 9.491 1.00 0.00 C ATOM 495 OE1 GLN A 33 10.961 -12.261 8.711 1.00 0.00 O ATOM 496 NE2 GLN A 33 11.106 -11.160 10.599 1.00 0.00 N ATOM 0 H GLN A 33 9.119 -7.129 7.685 1.00 0.00 H new ATOM 0 HA GLN A 33 7.322 -9.405 7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.869 -9.487 7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.830 -8.766 9.276 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.549 -10.713 10.146 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.523 -11.429 8.546 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.702 -10.497 11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.011 -11.587 10.794 1.00 0.00 H new ATOM 505 N TYR A 34 7.490 -7.580 10.391 1.00 0.00 N ATOM 506 CA TYR A 34 6.852 -7.287 11.683 1.00 0.00 C ATOM 507 C TYR A 34 5.616 -6.379 11.562 1.00 0.00 C ATOM 508 O TYR A 34 4.788 -6.334 12.474 1.00 0.00 O ATOM 509 CB TYR A 34 7.907 -6.658 12.616 1.00 0.00 C ATOM 510 CG TYR A 34 8.997 -7.614 13.078 1.00 0.00 C ATOM 511 CD1 TYR A 34 10.177 -7.783 12.326 1.00 0.00 C ATOM 512 CD2 TYR A 34 8.845 -8.335 14.274 1.00 0.00 C ATOM 513 CE1 TYR A 34 11.191 -8.656 12.762 1.00 0.00 C ATOM 514 CE2 TYR A 34 9.848 -9.222 14.713 1.00 0.00 C ATOM 515 CZ TYR A 34 11.031 -9.380 13.963 1.00 0.00 C ATOM 516 OH TYR A 34 12.016 -10.208 14.403 1.00 0.00 O ATOM 0 H TYR A 34 8.290 -6.977 10.199 1.00 0.00 H new ATOM 0 HA TYR A 34 6.483 -8.225 12.097 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.373 -5.818 12.101 1.00 0.00 H new ATOM 0 HB3 TYR A 34 7.402 -6.253 13.493 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.305 -7.236 11.404 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.949 -8.208 14.864 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.092 -8.772 12.178 1.00 0.00 H new ATOM 0 HE2 TYR A 34 9.710 -9.782 15.626 1.00 0.00 H new ATOM 0 HH TYR A 34 12.814 -10.093 13.846 1.00 0.00 H new ATOM 526 N GLY A 35 5.480 -5.642 10.449 1.00 0.00 N ATOM 527 CA GLY A 35 4.358 -4.729 10.165 1.00 0.00 C ATOM 528 C GLY A 35 4.445 -3.365 10.864 1.00 0.00 C ATOM 529 O GLY A 35 3.507 -2.569 10.769 1.00 0.00 O ATOM 0 H GLY A 35 6.169 -5.665 9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.303 -4.567 9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.429 -5.215 10.462 1.00 0.00 H new ATOM 533 N GLN A 36 5.537 -3.092 11.581 1.00 0.00 N ATOM 534 CA GLN A 36 5.767 -1.852 12.324 1.00 0.00 C ATOM 535 C GLN A 36 6.379 -0.763 11.417 1.00 0.00 C ATOM 536 O GLN A 36 7.129 -1.062 10.484 1.00 0.00 O ATOM 537 CB GLN A 36 6.657 -2.179 13.535 1.00 0.00 C ATOM 538 CG GLN A 36 6.926 -0.979 14.454 1.00 0.00 C ATOM 539 CD GLN A 36 7.658 -1.397 15.726 1.00 0.00 C ATOM 540 OE1 GLN A 36 7.051 -1.636 16.763 1.00 0.00 O ATOM 541 NE2 GLN A 36 8.969 -1.520 15.698 1.00 0.00 N ATOM 0 H GLN A 36 6.312 -3.751 11.663 1.00 0.00 H new ATOM 0 HA GLN A 36 4.822 -1.442 12.680 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.185 -2.971 14.117 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.609 -2.571 13.178 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.519 -0.237 13.920 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.981 -0.503 14.717 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.481 -1.323 14.838 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.472 -1.812 16.536 1.00 0.00 H new ATOM 550 N ASN A 37 6.064 0.511 11.693 1.00 0.00 N ATOM 551 CA ASN A 37 6.502 1.647 10.877 1.00 0.00 C ATOM 552 C ASN A 37 8.016 1.920 10.910 1.00 0.00 C ATOM 553 O ASN A 37 8.705 1.708 11.915 1.00 0.00 O ATOM 554 CB ASN A 37 5.728 2.908 11.289 1.00 0.00 C ATOM 555 CG ASN A 37 4.329 2.936 10.686 1.00 0.00 C ATOM 556 OD1 ASN A 37 3.346 2.603 11.333 1.00 0.00 O ATOM 557 ND2 ASN A 37 4.215 3.323 9.422 1.00 0.00 N ATOM 0 H ASN A 37 5.494 0.781 12.495 1.00 0.00 H new ATOM 0 HA ASN A 37 6.281 1.375 9.845 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.656 2.951 12.376 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.279 3.793 10.970 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.298 3.346 8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.045 3.598 8.896 1.00 0.00 H new ATOM 564 N GLU A 38 8.507 2.481 9.807 1.00 0.00 N ATOM 565 CA GLU A 38 9.879 2.940 9.577 1.00 0.00 C ATOM 566 C GLU A 38 10.390 3.940 10.639 1.00 0.00 C ATOM 567 O GLU A 38 11.508 3.785 11.140 1.00 0.00 O ATOM 568 CB GLU A 38 9.975 3.501 8.141 1.00 0.00 C ATOM 569 CG GLU A 38 9.233 4.816 7.822 1.00 0.00 C ATOM 570 CD GLU A 38 7.767 4.824 8.273 1.00 0.00 C ATOM 571 OE1 GLU A 38 6.973 3.954 7.841 1.00 0.00 O ATOM 572 OE2 GLU A 38 7.430 5.640 9.161 1.00 0.00 O ATOM 0 H GLU A 38 7.916 2.639 8.991 1.00 0.00 H new ATOM 0 HA GLU A 38 10.546 2.085 9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.030 3.650 7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.605 2.736 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.756 5.643 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.274 4.994 6.747 1.00 0.00 H new ATOM 579 N GLU A 39 9.566 4.904 11.068 1.00 0.00 N ATOM 580 CA GLU A 39 9.917 5.846 12.142 1.00 0.00 C ATOM 581 C GLU A 39 10.074 5.171 13.519 1.00 0.00 C ATOM 582 O GLU A 39 10.799 5.685 14.372 1.00 0.00 O ATOM 583 CB GLU A 39 8.921 7.017 12.168 1.00 0.00 C ATOM 584 CG GLU A 39 7.456 6.678 12.516 1.00 0.00 C ATOM 585 CD GLU A 39 7.170 6.554 14.024 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.417 7.526 14.778 1.00 0.00 O ATOM 587 OE2 GLU A 39 6.652 5.494 14.454 1.00 0.00 O ATOM 0 H GLU A 39 8.635 5.054 10.680 1.00 0.00 H new ATOM 0 HA GLU A 39 10.906 6.245 11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.280 7.752 12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.935 7.497 11.189 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.809 7.449 12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.188 5.740 12.030 1.00 0.00 H new ATOM 594 N GLY A 40 9.477 3.989 13.717 1.00 0.00 N ATOM 595 CA GLY A 40 9.699 3.141 14.894 1.00 0.00 C ATOM 596 C GLY A 40 11.024 2.385 14.787 1.00 0.00 C ATOM 597 O GLY A 40 11.801 2.369 15.744 1.00 0.00 O ATOM 0 H GLY A 40 8.815 3.589 13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.699 3.756 15.794 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.879 2.430 14.994 1.00 0.00 H new ATOM 601 N MET A 41 11.317 1.801 13.613 1.00 0.00 N ATOM 602 CA MET A 41 12.593 1.133 13.319 1.00 0.00 C ATOM 603 C MET A 41 13.776 2.100 13.444 1.00 0.00 C ATOM 604 O MET A 41 14.774 1.742 14.064 1.00 0.00 O ATOM 605 CB MET A 41 12.550 0.491 11.920 1.00 0.00 C ATOM 606 CG MET A 41 12.098 -0.972 11.977 1.00 0.00 C ATOM 607 SD MET A 41 10.454 -1.266 12.690 1.00 0.00 S ATOM 608 CE MET A 41 10.435 -3.059 12.502 1.00 0.00 C ATOM 0 H MET A 41 10.663 1.780 12.831 1.00 0.00 H new ATOM 0 HA MET A 41 12.740 0.345 14.058 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.871 1.056 11.282 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.538 0.548 11.464 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.111 -1.376 10.965 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.830 -1.536 12.555 1.00 0.00 H new ATOM 0 HE1 MET A 41 9.544 -3.466 12.980 1.00 0.00 H new ATOM 0 HE2 MET A 41 10.427 -3.314 11.442 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.323 -3.483 12.970 1.00 0.00 H new ATOM 618 N VAL A 42 13.668 3.318 12.910 1.00 0.00 N ATOM 619 CA VAL A 42 14.712 4.355 13.057 1.00 0.00 C ATOM 620 C VAL A 42 14.772 4.910 14.488 1.00 0.00 C ATOM 621 O VAL A 42 15.867 5.090 15.016 1.00 0.00 O ATOM 622 CB VAL A 42 14.524 5.497 12.030 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.491 6.672 12.266 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.746 4.969 10.599 1.00 0.00 C ATOM 0 H VAL A 42 12.861 3.621 12.364 1.00 0.00 H new ATOM 0 HA VAL A 42 15.668 3.872 12.853 1.00 0.00 H new ATOM 0 HB VAL A 42 13.504 5.860 12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.315 7.444 11.517 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.324 7.086 13.260 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.519 6.318 12.188 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.611 5.782 9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.758 4.573 10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.027 4.178 10.387 1.00 0.00 H new ATOM 634 N GLY A 43 13.622 5.156 15.132 1.00 0.00 N ATOM 635 CA GLY A 43 13.557 5.829 16.436 1.00 0.00 C ATOM 636 C GLY A 43 14.021 4.963 17.603 1.00 0.00 C ATOM 637 O GLY A 43 14.813 5.427 18.425 1.00 0.00 O ATOM 0 H GLY A 43 12.709 4.893 14.762 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.169 6.730 16.399 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.531 6.148 16.619 1.00 0.00 H new ATOM 641 N GLU A 44 13.591 3.699 17.669 1.00 0.00 N ATOM 642 CA GLU A 44 13.973 2.785 18.756 1.00 0.00 C ATOM 643 C GLU A 44 15.433 2.305 18.650 1.00 0.00 C ATOM 644 O GLU A 44 16.018 1.889 19.654 1.00 0.00 O ATOM 645 CB GLU A 44 13.001 1.594 18.830 1.00 0.00 C ATOM 646 CG GLU A 44 11.552 1.991 19.150 1.00 0.00 C ATOM 647 CD GLU A 44 11.419 2.726 20.494 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.710 2.130 21.559 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.005 3.908 20.500 1.00 0.00 O ATOM 0 H GLU A 44 12.971 3.280 16.975 1.00 0.00 H new ATOM 0 HA GLU A 44 13.904 3.352 19.684 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.020 1.063 17.878 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.353 0.897 19.591 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.170 2.629 18.353 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.930 1.096 19.167 1.00 0.00 H new ATOM 656 N LEU A 45 16.059 2.409 17.471 1.00 0.00 N ATOM 657 CA LEU A 45 17.481 2.108 17.268 1.00 0.00 C ATOM 658 C LEU A 45 18.398 3.104 17.998 1.00 0.00 C ATOM 659 O LEU A 45 19.495 2.738 18.413 1.00 0.00 O ATOM 660 CB LEU A 45 17.734 2.062 15.750 1.00 0.00 C ATOM 661 CG LEU A 45 19.133 1.604 15.305 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.433 0.156 15.722 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.207 1.737 13.774 1.00 0.00 C ATOM 0 H LEU A 45 15.585 2.709 16.619 1.00 0.00 H new ATOM 0 HA LEU A 45 17.726 1.141 17.707 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.997 1.396 15.301 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.554 3.057 15.343 1.00 0.00 H new ATOM 0 HG LEU A 45 19.880 2.230 15.792 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.432 -0.120 15.385 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.380 0.072 16.807 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.700 -0.512 15.270 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.190 1.419 13.428 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.441 1.110 13.317 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.042 2.777 13.491 1.00 0.00 H new ATOM 675 N ILE A 46 17.936 4.337 18.235 1.00 0.00 N ATOM 676 CA ILE A 46 18.642 5.350 19.050 1.00 0.00 C ATOM 677 C ILE A 46 18.776 4.879 20.508 1.00 0.00 C ATOM 678 O ILE A 46 19.860 4.970 21.092 1.00 0.00 O ATOM 679 CB ILE A 46 17.900 6.710 18.954 1.00 0.00 C ATOM 680 CG1 ILE A 46 17.663 7.179 17.500 1.00 0.00 C ATOM 681 CG2 ILE A 46 18.627 7.811 19.743 1.00 0.00 C ATOM 682 CD1 ILE A 46 18.930 7.279 16.633 1.00 0.00 C ATOM 0 H ILE A 46 17.047 4.671 17.863 1.00 0.00 H new ATOM 0 HA ILE A 46 19.651 5.483 18.660 1.00 0.00 H new ATOM 0 HB ILE A 46 16.922 6.534 19.402 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.967 6.490 17.021 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.179 8.156 17.524 1.00 0.00 H new ATOM 0 HG21 ILE A 46 18.077 8.748 19.651 1.00 0.00 H new ATOM 0 HG22 ILE A 46 18.687 7.527 20.794 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.633 7.940 19.344 1.00 0.00 H new ATOM 0 HD11 ILE A 46 18.660 7.615 15.632 1.00 0.00 H new ATOM 0 HD12 ILE A 46 19.622 7.992 17.081 1.00 0.00 H new ATOM 0 HD13 ILE A 46 19.406 6.301 16.571 1.00 0.00 H new ATOM 694 N ALA A 47 17.705 4.320 21.065 1.00 0.00 N ATOM 695 CA ALA A 47 17.665 3.759 22.418 1.00 0.00 C ATOM 696 C ALA A 47 18.546 2.499 22.596 1.00 0.00 C ATOM 697 O ALA A 47 18.771 2.070 23.733 1.00 0.00 O ATOM 698 CB ALA A 47 16.196 3.496 22.778 1.00 0.00 C ATOM 0 H ALA A 47 16.814 4.241 20.575 1.00 0.00 H new ATOM 0 HA ALA A 47 18.098 4.483 23.108 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.137 3.077 23.783 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.639 4.432 22.742 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.767 2.791 22.065 1.00 0.00 H new ATOM 704 N PHE A 48 19.050 1.922 21.498 1.00 0.00 N ATOM 705 CA PHE A 48 20.110 0.919 21.510 1.00 0.00 C ATOM 706 C PHE A 48 21.482 1.576 21.310 1.00 0.00 C ATOM 707 O PHE A 48 22.318 1.558 22.217 1.00 0.00 O ATOM 708 CB PHE A 48 19.806 -0.156 20.448 1.00 0.00 C ATOM 709 CG PHE A 48 20.717 -1.377 20.438 1.00 0.00 C ATOM 710 CD1 PHE A 48 21.173 -1.967 21.637 1.00 0.00 C ATOM 711 CD2 PHE A 48 21.041 -1.981 19.208 1.00 0.00 C ATOM 712 CE1 PHE A 48 21.947 -3.142 21.606 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.811 -3.159 19.175 1.00 0.00 C ATOM 714 CZ PHE A 48 22.262 -3.739 20.374 1.00 0.00 C ATOM 0 H PHE A 48 18.722 2.148 20.559 1.00 0.00 H new ATOM 0 HA PHE A 48 20.144 0.428 22.482 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.780 -0.496 20.591 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.852 0.313 19.465 1.00 0.00 H new ATOM 0 HD1 PHE A 48 20.926 -1.513 22.585 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.697 -1.538 18.285 1.00 0.00 H new ATOM 0 HE1 PHE A 48 22.298 -3.584 22.527 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.056 -3.618 18.228 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.851 -4.644 20.348 1.00 0.00 H new ATOM 724 N CYS A 49 21.729 2.156 20.133 1.00 0.00 N ATOM 725 CA CYS A 49 23.066 2.523 19.667 1.00 0.00 C ATOM 726 C CYS A 49 23.648 3.771 20.349 1.00 0.00 C ATOM 727 O CYS A 49 24.845 3.782 20.663 1.00 0.00 O ATOM 728 CB CYS A 49 23.002 2.673 18.141 1.00 0.00 C ATOM 729 SG CYS A 49 22.506 1.083 17.422 1.00 0.00 S ATOM 0 H CYS A 49 20.992 2.387 19.467 1.00 0.00 H new ATOM 0 HA CYS A 49 23.760 1.730 19.946 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.289 3.451 17.867 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.973 2.978 17.750 1.00 0.00 H new ATOM 0 HG CYS A 49 22.098 0.288 18.366 1.00 0.00 H new ATOM 735 N THR A 50 22.826 4.795 20.609 1.00 0.00 N ATOM 736 CA THR A 50 23.263 6.020 21.295 1.00 0.00 C ATOM 737 C THR A 50 23.372 5.779 22.794 1.00 0.00 C ATOM 738 O THR A 50 24.360 6.178 23.406 1.00 0.00 O ATOM 739 CB THR A 50 22.331 7.193 20.962 1.00 0.00 C ATOM 740 OG1 THR A 50 22.301 7.324 19.551 1.00 0.00 O ATOM 741 CG2 THR A 50 22.841 8.516 21.541 1.00 0.00 C ATOM 0 H THR A 50 21.839 4.799 20.350 1.00 0.00 H new ATOM 0 HA THR A 50 24.256 6.291 20.936 1.00 0.00 H new ATOM 0 HB THR A 50 21.350 6.988 21.390 1.00 0.00 H new ATOM 0 HG1 THR A 50 21.844 8.157 19.309 1.00 0.00 H new ATOM 0 HG21 THR A 50 22.150 9.318 21.280 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.911 8.436 22.626 1.00 0.00 H new ATOM 0 HG23 THR A 50 23.826 8.738 21.130 1.00 0.00 H new ATOM 749 N SER A 51 22.425 5.048 23.386 1.00 0.00 N ATOM 750 CA SER A 51 22.433 4.728 24.823 1.00 0.00 C ATOM 751 C SER A 51 23.629 3.862 25.254 1.00 0.00 C ATOM 752 O SER A 51 24.241 4.140 26.294 1.00 0.00 O ATOM 753 CB SER A 51 21.123 4.036 25.219 1.00 0.00 C ATOM 754 OG SER A 51 20.005 4.876 24.968 1.00 0.00 O ATOM 0 H SER A 51 21.627 4.658 22.885 1.00 0.00 H new ATOM 0 HA SER A 51 22.531 5.680 25.346 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.016 3.106 24.660 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.153 3.771 26.276 1.00 0.00 H new ATOM 0 HG SER A 51 19.182 4.411 25.227 1.00 0.00 H new ATOM 760 N THR A 52 24.006 2.846 24.460 1.00 0.00 N ATOM 761 CA THR A 52 25.194 1.997 24.728 1.00 0.00 C ATOM 762 C THR A 52 26.492 2.568 24.155 1.00 0.00 C ATOM 763 O THR A 52 27.565 2.058 24.474 1.00 0.00 O ATOM 764 CB THR A 52 24.986 0.545 24.277 1.00 0.00 C ATOM 765 OG1 THR A 52 24.787 0.491 22.887 1.00 0.00 O ATOM 766 CG2 THR A 52 23.795 -0.130 24.964 1.00 0.00 C ATOM 0 H THR A 52 23.501 2.585 23.613 1.00 0.00 H new ATOM 0 HA THR A 52 25.305 1.998 25.812 1.00 0.00 H new ATOM 0 HB THR A 52 25.890 0.006 24.562 1.00 0.00 H new ATOM 0 HG1 THR A 52 23.910 0.870 22.667 1.00 0.00 H new ATOM 0 HG21 THR A 52 23.700 -1.154 24.604 1.00 0.00 H new ATOM 0 HG22 THR A 52 23.954 -0.138 26.042 1.00 0.00 H new ATOM 0 HG23 THR A 52 22.883 0.421 24.736 1.00 0.00 H new ATOM 774 N HIS A 53 26.412 3.639 23.361 1.00 0.00 N ATOM 775 CA HIS A 53 27.532 4.449 22.851 1.00 0.00 C ATOM 776 C HIS A 53 28.395 3.676 21.827 1.00 0.00 C ATOM 777 O HIS A 53 29.626 3.594 21.933 1.00 0.00 O ATOM 778 CB HIS A 53 28.347 5.083 24.004 1.00 0.00 C ATOM 779 CG HIS A 53 27.611 6.109 24.835 1.00 0.00 C ATOM 780 ND1 HIS A 53 26.559 5.883 25.691 1.00 0.00 N ATOM 781 CD2 HIS A 53 27.910 7.444 24.921 1.00 0.00 C ATOM 782 CE1 HIS A 53 26.224 7.047 26.266 1.00 0.00 C ATOM 783 NE2 HIS A 53 27.027 8.039 25.836 1.00 0.00 N ATOM 0 H HIS A 53 25.511 3.989 23.035 1.00 0.00 H new ATOM 0 HA HIS A 53 27.109 5.284 22.292 1.00 0.00 H new ATOM 0 HB2 HIS A 53 28.691 4.286 24.663 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.235 5.553 23.582 1.00 0.00 H new ATOM 0 HD1 HIS A 53 26.110 4.983 25.860 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.692 7.952 24.377 1.00 0.00 H new ATOM 0 HE1 HIS A 53 25.420 7.172 26.977 1.00 0.00 H new ATOM 791 N LYS A 54 27.750 3.067 20.827 1.00 0.00 N ATOM 792 CA LYS A 54 28.400 2.251 19.787 1.00 0.00 C ATOM 793 C LYS A 54 29.247 3.086 18.800 1.00 0.00 C ATOM 794 O LYS A 54 29.040 4.292 18.632 1.00 0.00 O ATOM 795 CB LYS A 54 27.338 1.427 19.033 1.00 0.00 C ATOM 796 CG LYS A 54 26.506 0.551 19.976 1.00 0.00 C ATOM 797 CD LYS A 54 25.603 -0.416 19.197 1.00 0.00 C ATOM 798 CE LYS A 54 24.513 -1.040 20.075 1.00 0.00 C ATOM 799 NZ LYS A 54 25.072 -1.876 21.164 1.00 0.00 N ATOM 0 H LYS A 54 26.738 3.127 20.712 1.00 0.00 H new ATOM 0 HA LYS A 54 29.097 1.582 20.292 1.00 0.00 H new ATOM 0 HB2 LYS A 54 26.677 2.101 18.489 1.00 0.00 H new ATOM 0 HB3 LYS A 54 27.829 0.796 18.293 1.00 0.00 H new ATOM 0 HG2 LYS A 54 27.170 -0.016 20.628 1.00 0.00 H new ATOM 0 HG3 LYS A 54 25.894 1.185 20.618 1.00 0.00 H new ATOM 0 HD2 LYS A 54 25.136 0.116 18.368 1.00 0.00 H new ATOM 0 HD3 LYS A 54 26.213 -1.208 18.764 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.901 -0.248 20.507 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.855 -1.649 19.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 24.420 -2.659 21.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 25.992 -2.260 20.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 25.197 -1.296 22.018 1.00 0.00 H new ATOM 813 N VAL A 55 30.163 2.415 18.085 1.00 0.00 N ATOM 814 CA VAL A 55 31.060 3.035 17.076 1.00 0.00 C ATOM 815 C VAL A 55 30.355 3.425 15.768 1.00 0.00 C ATOM 816 O VAL A 55 30.888 4.204 14.978 1.00 0.00 O ATOM 817 CB VAL A 55 32.259 2.096 16.792 1.00 0.00 C ATOM 818 CG1 VAL A 55 31.893 0.869 15.927 1.00 0.00 C ATOM 819 CG2 VAL A 55 33.467 2.835 16.195 1.00 0.00 C ATOM 0 H VAL A 55 30.310 1.411 18.187 1.00 0.00 H new ATOM 0 HA VAL A 55 31.411 3.972 17.509 1.00 0.00 H new ATOM 0 HB VAL A 55 32.547 1.720 17.774 1.00 0.00 H new ATOM 0 HG11 VAL A 55 32.781 0.257 15.769 1.00 0.00 H new ATOM 0 HG12 VAL A 55 31.131 0.279 16.437 1.00 0.00 H new ATOM 0 HG13 VAL A 55 31.508 1.205 14.964 1.00 0.00 H new ATOM 0 HG21 VAL A 55 34.276 2.126 16.017 1.00 0.00 H new ATOM 0 HG22 VAL A 55 33.179 3.301 15.252 1.00 0.00 H new ATOM 0 HG23 VAL A 55 33.804 3.603 16.891 1.00 0.00 H new ATOM 829 N GLY A 56 29.167 2.868 15.540 1.00 0.00 N ATOM 830 CA GLY A 56 28.434 2.972 14.277 1.00 0.00 C ATOM 831 C GLY A 56 27.269 1.983 14.174 1.00 0.00 C ATOM 832 O GLY A 56 26.671 1.622 15.191 1.00 0.00 O ATOM 0 H GLY A 56 28.675 2.319 16.244 1.00 0.00 H new ATOM 0 HA2 GLY A 56 28.052 3.987 14.169 1.00 0.00 H new ATOM 0 HA3 GLY A 56 29.122 2.801 13.449 1.00 0.00 H new ATOM 836 N LEU A 57 26.962 1.547 12.951 1.00 0.00 N ATOM 837 CA LEU A 57 25.956 0.528 12.623 1.00 0.00 C ATOM 838 C LEU A 57 26.571 -0.540 11.705 1.00 0.00 C ATOM 839 O LEU A 57 27.391 -0.223 10.834 1.00 0.00 O ATOM 840 CB LEU A 57 24.748 1.206 11.942 1.00 0.00 C ATOM 841 CG LEU A 57 23.840 1.993 12.908 1.00 0.00 C ATOM 842 CD1 LEU A 57 22.900 2.909 12.116 1.00 0.00 C ATOM 843 CD2 LEU A 57 22.985 1.062 13.773 1.00 0.00 C ATOM 0 H LEU A 57 27.429 1.911 12.120 1.00 0.00 H new ATOM 0 HA LEU A 57 25.617 0.038 13.536 1.00 0.00 H new ATOM 0 HB2 LEU A 57 25.113 1.884 11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.152 0.443 11.441 1.00 0.00 H new ATOM 0 HG LEU A 57 24.493 2.577 13.557 1.00 0.00 H new ATOM 0 HD11 LEU A 57 22.262 3.461 12.807 1.00 0.00 H new ATOM 0 HD12 LEU A 57 23.488 3.611 11.525 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.280 2.307 11.452 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.360 1.657 14.439 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.351 0.449 13.132 1.00 0.00 H new ATOM 0 HD23 LEU A 57 23.634 0.417 14.364 1.00 0.00 H new ATOM 855 N THR A 58 26.181 -1.804 11.917 1.00 0.00 N ATOM 856 CA THR A 58 26.716 -3.004 11.242 1.00 0.00 C ATOM 857 C THR A 58 25.633 -4.064 11.111 1.00 0.00 C ATOM 858 O THR A 58 24.613 -4.018 11.802 1.00 0.00 O ATOM 859 CB THR A 58 27.911 -3.621 11.999 1.00 0.00 C ATOM 860 OG1 THR A 58 27.477 -4.079 13.262 1.00 0.00 O ATOM 861 CG2 THR A 58 29.080 -2.659 12.218 1.00 0.00 C ATOM 0 H THR A 58 25.452 -2.033 12.593 1.00 0.00 H new ATOM 0 HA THR A 58 27.058 -2.680 10.259 1.00 0.00 H new ATOM 0 HB THR A 58 28.277 -4.432 11.369 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.233 -4.473 13.745 1.00 0.00 H new ATOM 0 HG21 THR A 58 29.877 -3.172 12.757 1.00 0.00 H new ATOM 0 HG22 THR A 58 29.455 -2.317 11.254 1.00 0.00 H new ATOM 0 HG23 THR A 58 28.742 -1.802 12.800 1.00 0.00 H new ATOM 869 N SER A 59 25.874 -5.076 10.283 1.00 0.00 N ATOM 870 CA SER A 59 25.010 -6.260 10.176 1.00 0.00 C ATOM 871 C SER A 59 24.811 -7.007 11.505 1.00 0.00 C ATOM 872 O SER A 59 23.749 -7.590 11.723 1.00 0.00 O ATOM 873 CB SER A 59 25.579 -7.208 9.109 1.00 0.00 C ATOM 874 OG SER A 59 26.944 -7.523 9.361 1.00 0.00 O ATOM 0 H SER A 59 26.681 -5.103 9.659 1.00 0.00 H new ATOM 0 HA SER A 59 24.021 -5.905 9.886 1.00 0.00 H new ATOM 0 HB2 SER A 59 24.992 -8.126 9.087 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.487 -6.747 8.126 1.00 0.00 H new ATOM 0 HG SER A 59 27.274 -8.129 8.665 1.00 0.00 H new ATOM 880 N GLU A 60 25.785 -6.943 12.421 1.00 0.00 N ATOM 881 CA GLU A 60 25.675 -7.492 13.778 1.00 0.00 C ATOM 882 C GLU A 60 24.793 -6.613 14.679 1.00 0.00 C ATOM 883 O GLU A 60 23.970 -7.134 15.436 1.00 0.00 O ATOM 884 CB GLU A 60 27.088 -7.657 14.373 1.00 0.00 C ATOM 885 CG GLU A 60 27.067 -8.371 15.732 1.00 0.00 C ATOM 886 CD GLU A 60 28.495 -8.588 16.266 1.00 0.00 C ATOM 887 OE1 GLU A 60 29.110 -9.638 15.958 1.00 0.00 O ATOM 888 OE2 GLU A 60 29.015 -7.713 16.999 1.00 0.00 O ATOM 0 H GLU A 60 26.686 -6.501 12.237 1.00 0.00 H new ATOM 0 HA GLU A 60 25.190 -8.467 13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.709 -8.222 13.678 1.00 0.00 H new ATOM 0 HB3 GLU A 60 27.549 -6.676 14.487 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.494 -7.781 16.447 1.00 0.00 H new ATOM 0 HG3 GLU A 60 26.562 -9.332 15.634 1.00 0.00 H new ATOM 895 N ILE A 61 24.911 -5.283 14.594 1.00 0.00 N ATOM 896 CA ILE A 61 24.101 -4.347 15.396 1.00 0.00 C ATOM 897 C ILE A 61 22.630 -4.383 14.960 1.00 0.00 C ATOM 898 O ILE A 61 21.757 -4.424 15.823 1.00 0.00 O ATOM 899 CB ILE A 61 24.735 -2.932 15.361 1.00 0.00 C ATOM 900 CG1 ILE A 61 26.082 -2.954 16.120 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.805 -1.871 15.977 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.950 -1.706 15.895 1.00 0.00 C ATOM 0 H ILE A 61 25.570 -4.821 13.968 1.00 0.00 H new ATOM 0 HA ILE A 61 24.102 -4.659 16.440 1.00 0.00 H new ATOM 0 HB ILE A 61 24.897 -2.661 14.318 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.884 -3.058 17.187 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.645 -3.835 15.813 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.287 -0.894 15.932 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.869 -1.839 15.419 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.599 -2.127 17.016 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.876 -1.800 16.462 1.00 0.00 H new ATOM 0 HD12 ILE A 61 27.182 -1.610 14.834 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.408 -0.821 16.229 1.00 0.00 H new ATOM 914 N LEU A 62 22.331 -4.442 13.657 1.00 0.00 N ATOM 915 CA LEU A 62 20.948 -4.553 13.174 1.00 0.00 C ATOM 916 C LEU A 62 20.362 -5.969 13.342 1.00 0.00 C ATOM 917 O LEU A 62 19.144 -6.103 13.471 1.00 0.00 O ATOM 918 CB LEU A 62 20.823 -4.044 11.723 1.00 0.00 C ATOM 919 CG LEU A 62 20.880 -2.514 11.502 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.052 -1.732 12.532 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.298 -1.942 11.472 1.00 0.00 C ATOM 0 H LEU A 62 23.031 -4.415 12.915 1.00 0.00 H new ATOM 0 HA LEU A 62 20.342 -3.906 13.808 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.620 -4.500 11.135 1.00 0.00 H new ATOM 0 HB3 LEU A 62 19.879 -4.409 11.317 1.00 0.00 H new ATOM 0 HG LEU A 62 20.442 -2.382 10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.130 -0.664 12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.008 -2.038 12.468 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.429 -1.937 13.534 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.252 -0.865 11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.794 -2.148 12.421 1.00 0.00 H new ATOM 0 HD23 LEU A 62 22.860 -2.405 10.661 1.00 0.00 H new ATOM 933 N ASN A 63 21.190 -7.018 13.403 1.00 0.00 N ATOM 934 CA ASN A 63 20.758 -8.333 13.891 1.00 0.00 C ATOM 935 C ASN A 63 20.415 -8.284 15.394 1.00 0.00 C ATOM 936 O ASN A 63 19.384 -8.802 15.821 1.00 0.00 O ATOM 937 CB ASN A 63 21.855 -9.366 13.589 1.00 0.00 C ATOM 938 CG ASN A 63 21.522 -10.743 14.154 1.00 0.00 C ATOM 939 OD1 ASN A 63 20.769 -11.512 13.560 1.00 0.00 O ATOM 940 ND2 ASN A 63 22.061 -11.093 15.308 1.00 0.00 N ATOM 0 H ASN A 63 22.169 -6.981 13.119 1.00 0.00 H new ATOM 0 HA ASN A 63 19.846 -8.630 13.374 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.993 -9.442 12.510 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.801 -9.022 14.008 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.853 -12.006 15.712 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.685 -10.450 15.795 1.00 0.00 H new ATOM 947 N SER A 64 21.242 -7.618 16.203 1.00 0.00 N ATOM 948 CA SER A 64 21.007 -7.450 17.644 1.00 0.00 C ATOM 949 C SER A 64 19.772 -6.580 17.946 1.00 0.00 C ATOM 950 O SER A 64 19.065 -6.836 18.923 1.00 0.00 O ATOM 951 CB SER A 64 22.248 -6.848 18.328 1.00 0.00 C ATOM 952 OG SER A 64 23.390 -7.684 18.179 1.00 0.00 O ATOM 0 H SER A 64 22.101 -7.176 15.877 1.00 0.00 H new ATOM 0 HA SER A 64 20.813 -8.444 18.046 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.458 -5.867 17.902 1.00 0.00 H new ATOM 0 HB3 SER A 64 22.042 -6.699 19.388 1.00 0.00 H new ATOM 0 HG SER A 64 23.747 -7.591 17.271 1.00 0.00 H new ATOM 958 N PHE A 65 19.446 -5.602 17.087 1.00 0.00 N ATOM 959 CA PHE A 65 18.256 -4.750 17.210 1.00 0.00 C ATOM 960 C PHE A 65 16.939 -5.551 17.198 1.00 0.00 C ATOM 961 O PHE A 65 15.998 -5.180 17.908 1.00 0.00 O ATOM 962 CB PHE A 65 18.264 -3.688 16.101 1.00 0.00 C ATOM 963 CG PHE A 65 17.040 -2.790 16.110 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.833 -1.896 17.180 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.080 -2.884 15.085 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.669 -1.108 17.222 1.00 0.00 C ATOM 967 CE2 PHE A 65 14.919 -2.092 15.128 1.00 0.00 C ATOM 968 CZ PHE A 65 14.714 -1.198 16.195 1.00 0.00 C ATOM 0 H PHE A 65 20.015 -5.378 16.271 1.00 0.00 H new ATOM 0 HA PHE A 65 18.303 -4.262 18.183 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.157 -3.072 16.206 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.332 -4.186 15.134 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.568 -1.816 17.967 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.236 -3.567 14.263 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.508 -0.430 18.047 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.184 -2.170 14.341 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.826 -0.583 16.225 1.00 0.00 H new ATOM 978 N GLU A 66 16.874 -6.664 16.460 1.00 0.00 N ATOM 979 CA GLU A 66 15.717 -7.565 16.503 1.00 0.00 C ATOM 980 C GLU A 66 15.547 -8.168 17.905 1.00 0.00 C ATOM 981 O GLU A 66 14.446 -8.175 18.443 1.00 0.00 O ATOM 982 CB GLU A 66 15.840 -8.700 15.471 1.00 0.00 C ATOM 983 CG GLU A 66 15.729 -8.201 14.031 1.00 0.00 C ATOM 984 CD GLU A 66 15.761 -9.375 13.046 1.00 0.00 C ATOM 985 OE1 GLU A 66 14.719 -10.052 12.872 1.00 0.00 O ATOM 986 OE2 GLU A 66 16.822 -9.620 12.427 1.00 0.00 O ATOM 0 H GLU A 66 17.612 -6.964 15.823 1.00 0.00 H new ATOM 0 HA GLU A 66 14.839 -6.967 16.256 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.797 -9.204 15.604 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.061 -9.440 15.656 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.803 -7.640 13.906 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.548 -7.516 13.814 1.00 0.00 H new ATOM 993 N HIS A 67 16.623 -8.641 18.533 1.00 0.00 N ATOM 994 CA HIS A 67 16.588 -9.161 19.906 1.00 0.00 C ATOM 995 C HIS A 67 16.322 -8.055 20.956 1.00 0.00 C ATOM 996 O HIS A 67 15.693 -8.310 21.985 1.00 0.00 O ATOM 997 CB HIS A 67 17.921 -9.875 20.188 1.00 0.00 C ATOM 998 CG HIS A 67 17.932 -10.624 21.499 1.00 0.00 C ATOM 999 ND1 HIS A 67 18.503 -10.202 22.679 1.00 0.00 N ATOM 1000 CD2 HIS A 67 17.384 -11.857 21.733 1.00 0.00 C ATOM 1001 CE1 HIS A 67 18.292 -11.153 23.608 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.617 -12.191 23.075 1.00 0.00 N ATOM 0 H HIS A 67 17.548 -8.676 18.105 1.00 0.00 H new ATOM 0 HA HIS A 67 15.756 -9.860 19.991 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.130 -10.573 19.377 1.00 0.00 H new ATOM 0 HB3 HIS A 67 18.726 -9.140 20.191 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.863 -12.466 21.010 1.00 0.00 H new ATOM 0 HE1 HIS A 67 18.618 -11.093 24.636 1.00 0.00 H new ATOM 0 HE2 HIS A 67 17.333 -13.047 23.552 1.00 0.00 H new ATOM 1010 N GLU A 68 16.781 -6.829 20.695 1.00 0.00 N ATOM 1011 CA GLU A 68 16.698 -5.697 21.620 1.00 0.00 C ATOM 1012 C GLU A 68 15.271 -5.147 21.800 1.00 0.00 C ATOM 1013 O GLU A 68 14.982 -4.597 22.869 1.00 0.00 O ATOM 1014 CB GLU A 68 17.659 -4.596 21.127 1.00 0.00 C ATOM 1015 CG GLU A 68 17.817 -3.392 22.071 1.00 0.00 C ATOM 1016 CD GLU A 68 18.244 -3.794 23.493 1.00 0.00 C ATOM 1017 OE1 GLU A 68 19.186 -4.603 23.662 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.628 -3.313 24.473 1.00 0.00 O ATOM 0 H GLU A 68 17.232 -6.590 19.812 1.00 0.00 H new ATOM 0 HA GLU A 68 16.991 -6.050 22.609 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.641 -5.040 20.963 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.307 -4.235 20.160 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.556 -2.707 21.656 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.872 -2.850 22.121 1.00 0.00 H new ATOM 1025 N PHE A 69 14.364 -5.308 20.825 1.00 0.00 N ATOM 1026 CA PHE A 69 13.010 -4.748 20.908 1.00 0.00 C ATOM 1027 C PHE A 69 11.944 -5.556 20.155 1.00 0.00 C ATOM 1028 O PHE A 69 10.899 -5.844 20.739 1.00 0.00 O ATOM 1029 CB PHE A 69 13.036 -3.282 20.439 1.00 0.00 C ATOM 1030 CG PHE A 69 11.735 -2.528 20.670 1.00 0.00 C ATOM 1031 CD1 PHE A 69 11.266 -2.314 21.985 1.00 0.00 C ATOM 1032 CD2 PHE A 69 10.993 -2.026 19.581 1.00 0.00 C ATOM 1033 CE1 PHE A 69 10.066 -1.612 22.201 1.00 0.00 C ATOM 1034 CE2 PHE A 69 9.792 -1.329 19.802 1.00 0.00 C ATOM 1035 CZ PHE A 69 9.330 -1.116 21.112 1.00 0.00 C ATOM 0 H PHE A 69 14.547 -5.825 19.965 1.00 0.00 H new ATOM 0 HA PHE A 69 12.709 -4.802 21.954 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.841 -2.761 20.957 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.273 -3.257 19.375 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.830 -2.690 22.826 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.349 -2.178 18.573 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.709 -1.454 23.208 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.223 -0.956 18.963 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.412 -0.573 21.281 1.00 0.00 H new ATOM 1045 N LEU A 70 12.170 -5.945 18.891 1.00 0.00 N ATOM 1046 CA LEU A 70 11.140 -6.599 18.068 1.00 0.00 C ATOM 1047 C LEU A 70 10.790 -8.005 18.575 1.00 0.00 C ATOM 1048 O LEU A 70 9.612 -8.335 18.699 1.00 0.00 O ATOM 1049 CB LEU A 70 11.588 -6.625 16.589 1.00 0.00 C ATOM 1050 CG LEU A 70 11.269 -5.374 15.732 1.00 0.00 C ATOM 1051 CD1 LEU A 70 9.765 -5.038 15.742 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.092 -4.151 16.163 1.00 0.00 C ATOM 0 H LEU A 70 13.062 -5.817 18.414 1.00 0.00 H new ATOM 0 HA LEU A 70 10.225 -6.012 18.149 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.666 -6.785 16.565 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.126 -7.489 16.111 1.00 0.00 H new ATOM 0 HG LEU A 70 11.554 -5.626 14.710 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.585 -4.155 15.129 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.201 -5.880 15.339 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.443 -4.842 16.765 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.834 -3.299 15.534 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.873 -3.913 17.204 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.154 -4.372 16.057 1.00 0.00 H new ATOM 1064 N SER A 71 11.783 -8.806 18.939 1.00 0.00 N ATOM 1065 CA SER A 71 11.593 -10.143 19.514 1.00 0.00 C ATOM 1066 C SER A 71 10.965 -10.107 20.923 1.00 0.00 C ATOM 1067 O SER A 71 10.325 -11.069 21.344 1.00 0.00 O ATOM 1068 CB SER A 71 12.951 -10.857 19.550 1.00 0.00 C ATOM 1069 OG SER A 71 12.824 -12.245 19.833 1.00 0.00 O ATOM 0 H SER A 71 12.764 -8.545 18.843 1.00 0.00 H new ATOM 0 HA SER A 71 10.890 -10.686 18.883 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.452 -10.729 18.591 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.584 -10.391 20.305 1.00 0.00 H new ATOM 0 HG SER A 71 13.712 -12.659 19.845 1.00 0.00 H new ATOM 1075 N LYS A 72 11.076 -8.988 21.646 1.00 0.00 N ATOM 1076 CA LYS A 72 10.368 -8.758 22.918 1.00 0.00 C ATOM 1077 C LYS A 72 8.886 -8.367 22.718 1.00 0.00 C ATOM 1078 O LYS A 72 8.077 -8.502 23.641 1.00 0.00 O ATOM 1079 CB LYS A 72 11.101 -7.654 23.711 1.00 0.00 C ATOM 1080 CG LYS A 72 12.575 -7.968 24.020 1.00 0.00 C ATOM 1081 CD LYS A 72 13.206 -6.788 24.774 1.00 0.00 C ATOM 1082 CE LYS A 72 14.696 -7.036 25.022 1.00 0.00 C ATOM 1083 NZ LYS A 72 15.374 -5.798 25.486 1.00 0.00 N ATOM 0 H LYS A 72 11.666 -8.205 21.365 1.00 0.00 H new ATOM 0 HA LYS A 72 10.372 -9.697 23.472 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.051 -6.723 23.146 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.573 -7.486 24.650 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.646 -8.876 24.620 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.119 -8.154 23.094 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.076 -5.872 24.198 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.694 -6.642 25.725 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.818 -7.822 25.767 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.167 -7.390 24.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.342 -6.026 25.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.410 -5.109 24.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.846 -5.391 26.284 1.00 0.00 H new