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 -67:sc= 1.3 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -151:sc= 0.953 (180deg=0.388) USER MOD Set 2.1: A 31 CYS SG : rot -54:sc= 0.116 USER MOD Set 2.2: A 41 MET CE :methyl 168:sc= -0.109 (180deg=-0.431) USER MOD Single : A 4 SER OG : rot 32:sc= 0.0589 USER MOD Single : A 6 GLN : amide:sc= 0.552 K(o=0.55,f=-3.8!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc= 0.00542 USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= 2.43 (180deg=1.87) USER MOD Single : A 33 GLN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 34 TYR OH : rot 175:sc= 0.419 USER MOD Single : A 36 GLN : amide:sc= -0.241 K(o=-0.24,f=-3.4!) USER MOD Single : A 37 ASN : amide:sc= 0.901 K(o=0.9,f=-0.69) USER MOD Single : A 49 CYS SG : rot 93:sc= 0.206 USER MOD Single : A 50 THR OG1 : rot 81:sc= 1.04 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0957 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 76:sc= 0.329 USER MOD Single : A 67 HIS : no HE2:sc= 0.0028 X(o=0.0028,f=-0.037) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -135:sc= 0.0281 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 4 8.883 1.246 0.165 1.00 0.00 N ATOM 40 CA SER A 4 9.989 1.881 -0.564 1.00 0.00 C ATOM 41 C SER A 4 11.054 2.490 0.374 1.00 0.00 C ATOM 42 O SER A 4 10.741 3.306 1.247 1.00 0.00 O ATOM 43 CB SER A 4 9.437 2.956 -1.518 1.00 0.00 C ATOM 44 OG SER A 4 8.539 2.385 -2.469 1.00 0.00 O ATOM 0 HA SER A 4 10.488 1.100 -1.137 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.922 3.727 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.262 3.443 -2.038 1.00 0.00 H new ATOM 0 HG SER A 4 8.070 1.627 -2.062 1.00 0.00 H new ATOM 50 N ALA A 5 12.327 2.119 0.181 1.00 0.00 N ATOM 51 CA ALA A 5 13.436 2.453 1.087 1.00 0.00 C ATOM 52 C ALA A 5 13.693 3.962 1.257 1.00 0.00 C ATOM 53 O ALA A 5 14.184 4.395 2.302 1.00 0.00 O ATOM 54 CB ALA A 5 14.685 1.729 0.567 1.00 0.00 C ATOM 0 H ALA A 5 12.621 1.567 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 5 13.167 2.120 2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.532 1.953 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.507 0.654 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.905 2.065 -0.446 1.00 0.00 H new ATOM 60 N GLN A 6 13.322 4.770 0.261 1.00 0.00 N ATOM 61 CA GLN A 6 13.412 6.232 0.285 1.00 0.00 C ATOM 62 C GLN A 6 12.571 6.846 1.421 1.00 0.00 C ATOM 63 O GLN A 6 12.946 7.891 1.957 1.00 0.00 O ATOM 64 CB GLN A 6 12.950 6.795 -1.070 1.00 0.00 C ATOM 65 CG GLN A 6 13.840 6.427 -2.279 1.00 0.00 C ATOM 66 CD GLN A 6 13.643 5.013 -2.852 1.00 0.00 C ATOM 67 OE1 GLN A 6 12.775 4.242 -2.462 1.00 0.00 O ATOM 68 NE2 GLN A 6 14.449 4.602 -3.813 1.00 0.00 N ATOM 0 H GLN A 6 12.938 4.413 -0.614 1.00 0.00 H new ATOM 0 HA GLN A 6 14.453 6.500 0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.937 6.442 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.900 7.881 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.656 7.149 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.884 6.537 -1.984 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.183 5.219 -4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.338 3.668 -4.207 1.00 0.00 H new ATOM 77 N GLN A 7 11.468 6.201 1.821 1.00 0.00 N ATOM 78 CA GLN A 7 10.603 6.680 2.904 1.00 0.00 C ATOM 79 C GLN A 7 11.280 6.548 4.279 1.00 0.00 C ATOM 80 O GLN A 7 11.063 7.387 5.154 1.00 0.00 O ATOM 81 CB GLN A 7 9.268 5.915 2.882 1.00 0.00 C ATOM 82 CG GLN A 7 8.487 6.113 1.572 1.00 0.00 C ATOM 83 CD GLN A 7 7.145 5.385 1.596 1.00 0.00 C ATOM 84 OE1 GLN A 7 6.983 4.285 1.074 1.00 0.00 O ATOM 85 NE2 GLN A 7 6.127 5.952 2.213 1.00 0.00 N ATOM 0 H GLN A 7 11.150 5.328 1.400 1.00 0.00 H new ATOM 0 HA GLN A 7 10.414 7.741 2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.462 4.852 3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.653 6.244 3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.320 7.177 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.083 5.749 0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.242 6.865 2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.225 5.477 2.251 1.00 0.00 H new ATOM 94 N LEU A 8 12.132 5.522 4.464 1.00 0.00 N ATOM 95 CA LEU A 8 12.934 5.330 5.671 1.00 0.00 C ATOM 96 C LEU A 8 14.188 6.213 5.644 1.00 0.00 C ATOM 97 O LEU A 8 14.536 6.820 6.655 1.00 0.00 O ATOM 98 CB LEU A 8 13.239 3.823 5.811 1.00 0.00 C ATOM 99 CG LEU A 8 13.864 3.442 7.173 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.378 2.059 7.629 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.402 3.435 7.133 1.00 0.00 C ATOM 0 H LEU A 8 12.279 4.796 3.763 1.00 0.00 H new ATOM 0 HA LEU A 8 12.385 5.647 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.316 3.260 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.917 3.522 5.013 1.00 0.00 H new ATOM 0 HG LEU A 8 13.541 4.206 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.831 1.813 8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.293 2.070 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.665 1.311 6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.790 3.161 8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.743 2.711 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.763 4.427 6.864 1.00 0.00 H new ATOM 113 N ALA A 9 14.847 6.334 4.484 1.00 0.00 N ATOM 114 CA ALA A 9 16.072 7.122 4.308 1.00 0.00 C ATOM 115 C ALA A 9 15.904 8.613 4.666 1.00 0.00 C ATOM 116 O ALA A 9 16.846 9.229 5.164 1.00 0.00 O ATOM 117 CB ALA A 9 16.558 6.927 2.868 1.00 0.00 C ATOM 0 H ALA A 9 14.537 5.878 3.626 1.00 0.00 H new ATOM 0 HA ALA A 9 16.822 6.760 5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.470 7.504 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.762 5.871 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.789 7.268 2.175 1.00 0.00 H new ATOM 123 N GLU A 10 14.702 9.171 4.472 1.00 0.00 N ATOM 124 CA GLU A 10 14.354 10.542 4.875 1.00 0.00 C ATOM 125 C GLU A 10 14.455 10.774 6.394 1.00 0.00 C ATOM 126 O GLU A 10 14.762 11.889 6.811 1.00 0.00 O ATOM 127 CB GLU A 10 12.926 10.871 4.410 1.00 0.00 C ATOM 128 CG GLU A 10 12.821 11.182 2.911 1.00 0.00 C ATOM 129 CD GLU A 10 13.407 12.557 2.551 1.00 0.00 C ATOM 130 OE1 GLU A 10 12.771 13.593 2.870 1.00 0.00 O ATOM 131 OE2 GLU A 10 14.493 12.614 1.929 1.00 0.00 O ATOM 0 H GLU A 10 13.931 8.676 4.024 1.00 0.00 H new ATOM 0 HA GLU A 10 15.081 11.200 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.274 10.029 4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.557 11.726 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.342 10.409 2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.774 11.147 2.609 1.00 0.00 H new ATOM 138 N GLU A 11 14.236 9.752 7.231 1.00 0.00 N ATOM 139 CA GLU A 11 14.310 9.879 8.692 1.00 0.00 C ATOM 140 C GLU A 11 15.763 9.962 9.191 1.00 0.00 C ATOM 141 O GLU A 11 16.068 10.722 10.113 1.00 0.00 O ATOM 142 CB GLU A 11 13.596 8.698 9.376 1.00 0.00 C ATOM 143 CG GLU A 11 12.117 8.544 9.003 1.00 0.00 C ATOM 144 CD GLU A 11 11.288 9.778 9.393 1.00 0.00 C ATOM 145 OE1 GLU A 11 11.094 10.017 10.606 1.00 0.00 O ATOM 146 OE2 GLU A 11 10.802 10.501 8.491 1.00 0.00 O ATOM 0 H GLU A 11 14.002 8.811 6.913 1.00 0.00 H new ATOM 0 HA GLU A 11 13.809 10.810 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.119 7.777 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.674 8.820 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.031 8.375 7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.709 7.663 9.498 1.00 0.00 H new ATOM 153 N LEU A 12 16.679 9.219 8.552 1.00 0.00 N ATOM 154 CA LEU A 12 18.099 9.143 8.913 1.00 0.00 C ATOM 155 C LEU A 12 18.773 10.520 8.922 1.00 0.00 C ATOM 156 O LEU A 12 19.616 10.782 9.780 1.00 0.00 O ATOM 157 CB LEU A 12 18.819 8.209 7.920 1.00 0.00 C ATOM 158 CG LEU A 12 18.226 6.793 7.777 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.040 6.008 6.741 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.201 6.013 9.096 1.00 0.00 C ATOM 0 H LEU A 12 16.444 8.639 7.747 1.00 0.00 H new ATOM 0 HA LEU A 12 18.169 8.749 9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.818 8.683 6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.860 8.116 8.228 1.00 0.00 H new ATOM 0 HG LEU A 12 17.191 6.911 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.625 5.006 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.997 6.521 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.077 5.939 7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.772 5.025 8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.217 5.907 9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.596 6.551 9.825 1.00 0.00 H new ATOM 172 N GLN A 13 18.386 11.407 8.003 1.00 0.00 N ATOM 173 CA GLN A 13 18.935 12.760 7.878 1.00 0.00 C ATOM 174 C GLN A 13 18.391 13.735 8.941 1.00 0.00 C ATOM 175 O GLN A 13 18.979 14.800 9.143 1.00 0.00 O ATOM 176 CB GLN A 13 18.673 13.290 6.457 1.00 0.00 C ATOM 177 CG GLN A 13 19.408 12.468 5.384 1.00 0.00 C ATOM 178 CD GLN A 13 19.280 13.081 3.989 1.00 0.00 C ATOM 179 OE1 GLN A 13 18.548 12.594 3.136 1.00 0.00 O ATOM 180 NE2 GLN A 13 19.957 14.174 3.704 1.00 0.00 N ATOM 0 H GLN A 13 17.667 11.201 7.310 1.00 0.00 H new ATOM 0 HA GLN A 13 20.009 12.696 8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 13 17.602 13.271 6.256 1.00 0.00 H new ATOM 0 HB3 GLN A 13 18.990 14.331 6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 13 20.463 12.391 5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 13 19.008 11.454 5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 13 20.570 14.591 4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 13 19.868 14.604 2.783 1.00 0.00 H new ATOM 189 N ILE A 14 17.303 13.397 9.654 1.00 0.00 N ATOM 190 CA ILE A 14 16.802 14.181 10.799 1.00 0.00 C ATOM 191 C ILE A 14 17.673 13.898 12.035 1.00 0.00 C ATOM 192 O ILE A 14 18.048 14.825 12.764 1.00 0.00 O ATOM 193 CB ILE A 14 15.305 13.877 11.075 1.00 0.00 C ATOM 194 CG1 ILE A 14 14.441 14.134 9.815 1.00 0.00 C ATOM 195 CG2 ILE A 14 14.795 14.721 12.262 1.00 0.00 C ATOM 196 CD1 ILE A 14 12.963 13.753 9.966 1.00 0.00 C ATOM 0 H ILE A 14 16.743 12.569 9.452 1.00 0.00 H new ATOM 0 HA ILE A 14 16.870 15.242 10.560 1.00 0.00 H new ATOM 0 HB ILE A 14 15.216 12.822 11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.506 15.191 9.556 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.864 13.574 8.980 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.744 14.496 12.443 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.376 14.483 13.153 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.905 15.780 12.029 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.435 13.967 9.037 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.883 12.690 10.193 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.519 14.331 10.776 1.00 0.00 H new ATOM 208 N PHE A 15 18.025 12.626 12.255 1.00 0.00 N ATOM 209 CA PHE A 15 18.797 12.164 13.413 1.00 0.00 C ATOM 210 C PHE A 15 20.323 12.213 13.214 1.00 0.00 C ATOM 211 O PHE A 15 21.073 12.168 14.198 1.00 0.00 O ATOM 212 CB PHE A 15 18.336 10.742 13.752 1.00 0.00 C ATOM 213 CG PHE A 15 16.858 10.626 14.095 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.345 11.249 15.252 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.990 9.889 13.271 1.00 0.00 C ATOM 216 CE1 PHE A 15 14.980 11.131 15.574 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.624 9.775 13.588 1.00 0.00 C ATOM 218 CZ PHE A 15 14.120 10.395 14.744 1.00 0.00 C ATOM 0 H PHE A 15 17.774 11.871 11.616 1.00 0.00 H new ATOM 0 HA PHE A 15 18.603 12.850 14.237 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.552 10.091 12.905 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.922 10.374 14.594 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.002 11.818 15.893 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.375 9.405 12.386 1.00 0.00 H new ATOM 0 HE1 PHE A 15 14.593 11.608 16.462 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.964 9.212 12.944 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.073 10.305 14.993 1.00 0.00 H new ATOM 228 N GLY A 16 20.802 12.298 11.967 1.00 0.00 N ATOM 229 CA GLY A 16 22.230 12.299 11.617 1.00 0.00 C ATOM 230 C GLY A 16 22.839 10.897 11.508 1.00 0.00 C ATOM 231 O GLY A 16 24.042 10.736 11.736 1.00 0.00 O ATOM 0 H GLY A 16 20.193 12.370 11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.362 12.817 10.667 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.779 12.866 12.369 1.00 0.00 H new ATOM 235 N LEU A 17 22.029 9.879 11.196 1.00 0.00 N ATOM 236 CA LEU A 17 22.457 8.482 11.039 1.00 0.00 C ATOM 237 C LEU A 17 23.253 8.272 9.737 1.00 0.00 C ATOM 238 O LEU A 17 22.992 8.910 8.714 1.00 0.00 O ATOM 239 CB LEU A 17 21.225 7.557 11.109 1.00 0.00 C ATOM 240 CG LEU A 17 20.701 7.322 12.542 1.00 0.00 C ATOM 241 CD1 LEU A 17 19.312 6.682 12.478 1.00 0.00 C ATOM 242 CD2 LEU A 17 21.638 6.412 13.352 1.00 0.00 C ATOM 0 H LEU A 17 21.029 10.007 11.041 1.00 0.00 H new ATOM 0 HA LEU A 17 23.133 8.229 11.856 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.425 7.987 10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.479 6.595 10.663 1.00 0.00 H new ATOM 0 HG LEU A 17 20.654 8.290 13.042 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.941 6.516 13.489 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.630 7.345 11.946 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.374 5.729 11.953 1.00 0.00 H new ATOM 0 HD21 LEU A 17 21.233 6.272 14.354 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.723 5.445 12.857 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.623 6.873 13.420 1.00 0.00 H new ATOM 254 N ASP A 18 24.214 7.347 9.781 1.00 0.00 N ATOM 255 CA ASP A 18 25.203 7.081 8.720 1.00 0.00 C ATOM 256 C ASP A 18 24.925 5.786 7.924 1.00 0.00 C ATOM 257 O ASP A 18 25.761 5.347 7.133 1.00 0.00 O ATOM 258 CB ASP A 18 26.603 7.040 9.361 1.00 0.00 C ATOM 259 CG ASP A 18 27.006 8.382 9.994 1.00 0.00 C ATOM 260 OD1 ASP A 18 27.258 9.349 9.240 1.00 0.00 O ATOM 261 OD2 ASP A 18 27.085 8.457 11.245 1.00 0.00 O ATOM 0 H ASP A 18 24.334 6.735 10.588 1.00 0.00 H new ATOM 0 HA ASP A 18 25.134 7.887 7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 18 26.626 6.262 10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 18 27.337 6.765 8.603 1.00 0.00 H new ATOM 266 N CYS A 19 23.761 5.157 8.137 1.00 0.00 N ATOM 267 CA CYS A 19 23.406 3.842 7.590 1.00 0.00 C ATOM 268 C CYS A 19 23.482 3.792 6.046 1.00 0.00 C ATOM 269 O CYS A 19 22.827 4.578 5.356 1.00 0.00 O ATOM 270 CB CYS A 19 22.010 3.450 8.098 1.00 0.00 C ATOM 271 SG CYS A 19 21.961 3.398 9.912 1.00 0.00 S ATOM 0 H CYS A 19 23.021 5.561 8.711 1.00 0.00 H new ATOM 0 HA CYS A 19 24.141 3.118 7.941 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.273 4.165 7.732 1.00 0.00 H new ATOM 0 HB3 CYS A 19 21.735 2.475 7.696 1.00 0.00 H new ATOM 0 HG CYS A 19 20.767 3.066 10.305 1.00 0.00 H new ATOM 277 N GLU A 20 24.247 2.832 5.516 1.00 0.00 N ATOM 278 CA GLU A 20 24.348 2.525 4.084 1.00 0.00 C ATOM 279 C GLU A 20 23.146 1.722 3.575 1.00 0.00 C ATOM 280 O GLU A 20 22.362 1.200 4.364 1.00 0.00 O ATOM 281 CB GLU A 20 25.673 1.804 3.786 1.00 0.00 C ATOM 282 CG GLU A 20 25.819 0.423 4.439 1.00 0.00 C ATOM 283 CD GLU A 20 27.185 -0.192 4.097 1.00 0.00 C ATOM 284 OE1 GLU A 20 27.335 -0.756 2.987 1.00 0.00 O ATOM 285 OE2 GLU A 20 28.114 -0.110 4.939 1.00 0.00 O ATOM 0 H GLU A 20 24.833 2.226 6.091 1.00 0.00 H new ATOM 0 HA GLU A 20 24.338 3.470 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.774 1.692 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.496 2.436 4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.714 0.513 5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 20 25.021 -0.235 4.095 1.00 0.00 H new ATOM 292 N GLU A 21 23.021 1.570 2.252 1.00 0.00 N ATOM 293 CA GLU A 21 21.947 0.798 1.606 1.00 0.00 C ATOM 294 C GLU A 21 21.816 -0.629 2.165 1.00 0.00 C ATOM 295 O GLU A 21 20.699 -1.118 2.351 1.00 0.00 O ATOM 296 CB GLU A 21 22.180 0.736 0.084 1.00 0.00 C ATOM 297 CG GLU A 21 22.066 2.114 -0.590 1.00 0.00 C ATOM 298 CD GLU A 21 22.286 2.000 -2.107 1.00 0.00 C ATOM 299 OE1 GLU A 21 23.450 2.107 -2.569 1.00 0.00 O ATOM 300 OE2 GLU A 21 21.298 1.793 -2.855 1.00 0.00 O ATOM 0 H GLU A 21 23.673 1.986 1.587 1.00 0.00 H new ATOM 0 HA GLU A 21 21.014 1.318 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 21 23.169 0.321 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.455 0.056 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.083 2.540 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.801 2.795 -0.162 1.00 0.00 H new ATOM 307 N ALA A 22 22.947 -1.273 2.480 1.00 0.00 N ATOM 308 CA ALA A 22 22.997 -2.624 3.044 1.00 0.00 C ATOM 309 C ALA A 22 22.489 -2.705 4.500 1.00 0.00 C ATOM 310 O ALA A 22 22.095 -3.788 4.943 1.00 0.00 O ATOM 311 CB ALA A 22 24.433 -3.151 2.932 1.00 0.00 C ATOM 0 H ALA A 22 23.870 -0.860 2.347 1.00 0.00 H new ATOM 0 HA ALA A 22 22.316 -3.250 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 22 24.485 -4.157 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.730 -3.177 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 22 25.106 -2.495 3.484 1.00 0.00 H new ATOM 317 N LEU A 23 22.461 -1.584 5.236 1.00 0.00 N ATOM 318 CA LEU A 23 21.793 -1.468 6.542 1.00 0.00 C ATOM 319 C LEU A 23 20.342 -0.992 6.374 1.00 0.00 C ATOM 320 O LEU A 23 19.462 -1.536 7.030 1.00 0.00 O ATOM 321 CB LEU A 23 22.595 -0.536 7.467 1.00 0.00 C ATOM 322 CG LEU A 23 24.007 -1.038 7.844 1.00 0.00 C ATOM 323 CD1 LEU A 23 24.697 -0.021 8.761 1.00 0.00 C ATOM 324 CD2 LEU A 23 23.983 -2.403 8.547 1.00 0.00 C ATOM 0 H LEU A 23 22.909 -0.718 4.936 1.00 0.00 H new ATOM 0 HA LEU A 23 21.757 -2.453 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.690 0.436 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.025 -0.382 8.383 1.00 0.00 H new ATOM 0 HG LEU A 23 24.558 -1.152 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.692 -0.383 9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.782 0.935 8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.108 0.108 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.002 -2.706 8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.399 -2.329 9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.531 -3.144 7.888 1.00 0.00 H new ATOM 336 N ILE A 24 20.061 -0.047 5.473 1.00 0.00 N ATOM 337 CA ILE A 24 18.698 0.443 5.175 1.00 0.00 C ATOM 338 C ILE A 24 17.756 -0.712 4.820 1.00 0.00 C ATOM 339 O ILE A 24 16.667 -0.808 5.398 1.00 0.00 O ATOM 340 CB ILE A 24 18.741 1.531 4.070 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.377 2.815 4.647 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.342 1.839 3.502 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.737 3.883 3.610 1.00 0.00 C ATOM 0 H ILE A 24 20.782 0.412 4.916 1.00 0.00 H new ATOM 0 HA ILE A 24 18.293 0.908 6.074 1.00 0.00 H new ATOM 0 HB ILE A 24 19.344 1.152 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.687 3.250 5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.280 2.541 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.423 2.606 2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.918 0.933 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.695 2.196 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.177 4.745 4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.454 3.473 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.837 4.193 3.079 1.00 0.00 H new ATOM 355 N GLU A 25 18.184 -1.623 3.942 1.00 0.00 N ATOM 356 CA GLU A 25 17.379 -2.796 3.586 1.00 0.00 C ATOM 357 C GLU A 25 17.063 -3.686 4.803 1.00 0.00 C ATOM 358 O GLU A 25 15.988 -4.283 4.869 1.00 0.00 O ATOM 359 CB GLU A 25 18.025 -3.593 2.438 1.00 0.00 C ATOM 360 CG GLU A 25 19.320 -4.326 2.802 1.00 0.00 C ATOM 361 CD GLU A 25 19.849 -5.133 1.607 1.00 0.00 C ATOM 362 OE1 GLU A 25 20.610 -4.582 0.771 1.00 0.00 O ATOM 363 OE2 GLU A 25 19.506 -6.335 1.490 1.00 0.00 O ATOM 0 H GLU A 25 19.084 -1.571 3.464 1.00 0.00 H new ATOM 0 HA GLU A 25 16.420 -2.425 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.303 -4.323 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 25 18.232 -2.910 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 25 20.073 -3.605 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 25 19.140 -4.993 3.645 1.00 0.00 H new ATOM 370 N LYS A 26 17.942 -3.732 5.816 1.00 0.00 N ATOM 371 CA LYS A 26 17.702 -4.480 7.055 1.00 0.00 C ATOM 372 C LYS A 26 16.654 -3.818 7.968 1.00 0.00 C ATOM 373 O LYS A 26 15.908 -4.541 8.632 1.00 0.00 O ATOM 374 CB LYS A 26 19.041 -4.769 7.764 1.00 0.00 C ATOM 375 CG LYS A 26 18.921 -5.645 9.020 1.00 0.00 C ATOM 376 CD LYS A 26 18.283 -7.024 8.789 1.00 0.00 C ATOM 377 CE LYS A 26 18.002 -7.711 10.127 1.00 0.00 C ATOM 378 NZ LYS A 26 17.339 -9.023 9.925 1.00 0.00 N ATOM 0 H LYS A 26 18.841 -3.250 5.797 1.00 0.00 H new ATOM 0 HA LYS A 26 17.255 -5.438 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.713 -5.258 7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.503 -3.821 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.916 -5.787 9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.332 -5.109 9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.355 -6.913 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.948 -7.643 8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.936 -7.852 10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.369 -7.071 10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.764 -9.254 10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.727 -8.977 9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.061 -9.759 9.787 1.00 0.00 H new ATOM 392 N LEU A 27 16.512 -2.484 7.963 1.00 0.00 N ATOM 393 CA LEU A 27 15.404 -1.797 8.653 1.00 0.00 C ATOM 394 C LEU A 27 14.111 -1.837 7.826 1.00 0.00 C ATOM 395 O LEU A 27 13.042 -2.069 8.386 1.00 0.00 O ATOM 396 CB LEU A 27 15.769 -0.344 9.026 1.00 0.00 C ATOM 397 CG LEU A 27 16.840 -0.135 10.113 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.585 -0.989 11.365 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.256 -0.375 9.585 1.00 0.00 C ATOM 0 H LEU A 27 17.155 -1.853 7.485 1.00 0.00 H new ATOM 0 HA LEU A 27 15.228 -2.342 9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.106 0.161 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.858 0.159 9.351 1.00 0.00 H new ATOM 0 HG LEU A 27 16.761 0.912 10.405 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.369 -0.803 12.099 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.618 -0.727 11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.587 -2.044 11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.976 -0.215 10.388 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.340 -1.399 9.221 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.463 0.318 8.770 1.00 0.00 H new ATOM 411 N VAL A 28 14.203 -1.687 6.500 1.00 0.00 N ATOM 412 CA VAL A 28 13.052 -1.827 5.578 1.00 0.00 C ATOM 413 C VAL A 28 12.441 -3.237 5.668 1.00 0.00 C ATOM 414 O VAL A 28 11.218 -3.373 5.649 1.00 0.00 O ATOM 415 CB VAL A 28 13.451 -1.471 4.125 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.371 -1.830 3.087 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.765 0.031 3.999 1.00 0.00 C ATOM 0 H VAL A 28 15.078 -1.464 6.026 1.00 0.00 H new ATOM 0 HA VAL A 28 12.286 -1.116 5.888 1.00 0.00 H new ATOM 0 HB VAL A 28 14.335 -2.071 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.717 -1.553 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.178 -2.902 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.453 -1.289 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.043 0.260 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.884 0.611 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.590 0.287 4.663 1.00 0.00 H new ATOM 427 N GLU A 29 13.265 -4.281 5.843 1.00 0.00 N ATOM 428 CA GLU A 29 12.813 -5.649 6.117 1.00 0.00 C ATOM 429 C GLU A 29 11.882 -5.703 7.339 1.00 0.00 C ATOM 430 O GLU A 29 10.816 -6.313 7.261 1.00 0.00 O ATOM 431 CB GLU A 29 14.024 -6.580 6.303 1.00 0.00 C ATOM 432 CG GLU A 29 13.630 -8.042 6.554 1.00 0.00 C ATOM 433 CD GLU A 29 14.870 -8.932 6.713 1.00 0.00 C ATOM 434 OE1 GLU A 29 15.435 -8.998 7.831 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.283 -9.578 5.722 1.00 0.00 O ATOM 0 H GLU A 29 14.280 -4.195 5.797 1.00 0.00 H new ATOM 0 HA GLU A 29 12.237 -5.994 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.654 -6.528 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.623 -6.223 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.015 -8.107 7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.023 -8.405 5.725 1.00 0.00 H new ATOM 442 N LEU A 30 12.225 -5.029 8.446 1.00 0.00 N ATOM 443 CA LEU A 30 11.415 -5.060 9.674 1.00 0.00 C ATOM 444 C LEU A 30 9.999 -4.529 9.422 1.00 0.00 C ATOM 445 O LEU A 30 9.026 -5.129 9.868 1.00 0.00 O ATOM 446 CB LEU A 30 12.075 -4.273 10.825 1.00 0.00 C ATOM 447 CG LEU A 30 13.564 -4.557 11.084 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.043 -3.761 12.301 1.00 0.00 C ATOM 449 CD2 LEU A 30 13.866 -6.047 11.289 1.00 0.00 C ATOM 0 H LEU A 30 13.063 -4.452 8.517 1.00 0.00 H new ATOM 0 HA LEU A 30 11.350 -6.106 9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.961 -3.209 10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.523 -4.482 11.742 1.00 0.00 H new ATOM 0 HG LEU A 30 14.103 -4.243 10.190 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.099 -3.967 12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.908 -2.696 12.115 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.464 -4.053 13.177 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.933 -6.181 11.467 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.306 -6.417 12.147 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.574 -6.603 10.398 1.00 0.00 H new ATOM 461 N CYS A 31 9.871 -3.458 8.637 1.00 0.00 N ATOM 462 CA CYS A 31 8.590 -2.878 8.212 1.00 0.00 C ATOM 463 C CYS A 31 7.708 -3.832 7.375 1.00 0.00 C ATOM 464 O CYS A 31 6.488 -3.656 7.336 1.00 0.00 O ATOM 465 CB CYS A 31 8.866 -1.560 7.467 1.00 0.00 C ATOM 466 SG CYS A 31 9.656 -0.377 8.600 1.00 0.00 S ATOM 0 H CYS A 31 10.677 -2.954 8.267 1.00 0.00 H new ATOM 0 HA CYS A 31 8.003 -2.688 9.111 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.511 -1.744 6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.934 -1.145 7.083 1.00 0.00 H new ATOM 0 HG CYS A 31 8.922 -0.239 9.664 1.00 0.00 H new ATOM 472 N VAL A 32 8.296 -4.849 6.733 1.00 0.00 N ATOM 473 CA VAL A 32 7.573 -5.915 6.005 1.00 0.00 C ATOM 474 C VAL A 32 7.298 -7.123 6.917 1.00 0.00 C ATOM 475 O VAL A 32 6.195 -7.669 6.890 1.00 0.00 O ATOM 476 CB VAL A 32 8.349 -6.349 4.735 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.639 -7.484 3.974 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.532 -5.164 3.766 1.00 0.00 C ATOM 0 H VAL A 32 9.309 -4.962 6.701 1.00 0.00 H new ATOM 0 HA VAL A 32 6.613 -5.507 5.690 1.00 0.00 H new ATOM 0 HB VAL A 32 9.318 -6.707 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.222 -7.752 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.544 -8.354 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.648 -7.151 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.079 -5.496 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.555 -4.785 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.091 -4.371 4.263 1.00 0.00 H new ATOM 488 N GLN A 33 8.276 -7.534 7.733 1.00 0.00 N ATOM 489 CA GLN A 33 8.197 -8.713 8.602 1.00 0.00 C ATOM 490 C GLN A 33 7.277 -8.509 9.815 1.00 0.00 C ATOM 491 O GLN A 33 6.497 -9.398 10.157 1.00 0.00 O ATOM 492 CB GLN A 33 9.635 -9.067 9.042 1.00 0.00 C ATOM 493 CG GLN A 33 9.754 -10.256 10.015 1.00 0.00 C ATOM 494 CD GLN A 33 9.249 -11.574 9.421 1.00 0.00 C ATOM 495 OE1 GLN A 33 10.005 -12.389 8.904 1.00 0.00 O ATOM 496 NE2 GLN A 33 7.956 -11.833 9.461 1.00 0.00 N ATOM 0 H GLN A 33 9.167 -7.043 7.809 1.00 0.00 H new ATOM 0 HA GLN A 33 7.749 -9.534 8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.225 -9.287 8.152 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.080 -8.189 9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.797 -10.373 10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.190 -10.034 10.921 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.315 -11.164 9.888 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.597 -12.702 9.065 1.00 0.00 H new ATOM 505 N TYR A 34 7.374 -7.352 10.477 1.00 0.00 N ATOM 506 CA TYR A 34 6.632 -7.006 11.698 1.00 0.00 C ATOM 507 C TYR A 34 5.407 -6.108 11.442 1.00 0.00 C ATOM 508 O TYR A 34 4.509 -6.040 12.283 1.00 0.00 O ATOM 509 CB TYR A 34 7.601 -6.305 12.669 1.00 0.00 C ATOM 510 CG TYR A 34 8.668 -7.226 13.233 1.00 0.00 C ATOM 511 CD1 TYR A 34 8.371 -8.078 14.317 1.00 0.00 C ATOM 512 CD2 TYR A 34 9.949 -7.261 12.651 1.00 0.00 C ATOM 513 CE1 TYR A 34 9.347 -8.965 14.812 1.00 0.00 C ATOM 514 CE2 TYR A 34 10.928 -8.146 13.136 1.00 0.00 C ATOM 515 CZ TYR A 34 10.627 -9.007 14.217 1.00 0.00 C ATOM 516 OH TYR A 34 11.576 -9.866 14.685 1.00 0.00 O ATOM 0 H TYR A 34 7.993 -6.602 10.168 1.00 0.00 H new ATOM 0 HA TYR A 34 6.242 -7.932 12.121 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.085 -5.476 12.152 1.00 0.00 H new ATOM 0 HB3 TYR A 34 7.030 -5.877 13.493 1.00 0.00 H new ATOM 0 HD1 TYR A 34 7.391 -8.050 14.770 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.182 -6.604 11.826 1.00 0.00 H new ATOM 0 HE1 TYR A 34 9.117 -9.612 15.645 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.908 -8.168 12.684 1.00 0.00 H new ATOM 0 HH TYR A 34 12.369 -9.822 14.111 1.00 0.00 H new ATOM 526 N GLY A 35 5.357 -5.408 10.296 1.00 0.00 N ATOM 527 CA GLY A 35 4.264 -4.505 9.899 1.00 0.00 C ATOM 528 C GLY A 35 4.272 -3.136 10.600 1.00 0.00 C ATOM 529 O GLY A 35 3.395 -2.310 10.336 1.00 0.00 O ATOM 0 H GLY A 35 6.100 -5.457 9.599 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.316 -4.346 8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.313 -4.997 10.103 1.00 0.00 H new ATOM 533 N GLN A 36 5.237 -2.891 11.489 1.00 0.00 N ATOM 534 CA GLN A 36 5.411 -1.631 12.219 1.00 0.00 C ATOM 535 C GLN A 36 6.158 -0.605 11.349 1.00 0.00 C ATOM 536 O GLN A 36 7.032 -0.966 10.561 1.00 0.00 O ATOM 537 CB GLN A 36 6.124 -1.946 13.550 1.00 0.00 C ATOM 538 CG GLN A 36 6.503 -0.738 14.436 1.00 0.00 C ATOM 539 CD GLN A 36 5.321 0.063 14.999 1.00 0.00 C ATOM 540 OE1 GLN A 36 4.180 -0.031 14.557 1.00 0.00 O ATOM 541 NE2 GLN A 36 5.542 0.882 16.007 1.00 0.00 N ATOM 0 H GLN A 36 5.943 -3.587 11.729 1.00 0.00 H new ATOM 0 HA GLN A 36 4.450 -1.171 12.451 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.482 -2.607 14.132 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.034 -2.502 13.325 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.107 -1.096 15.270 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.131 -0.065 13.853 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.482 0.976 16.391 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.773 1.422 16.404 1.00 0.00 H new ATOM 550 N ASN A 37 5.812 0.678 11.462 1.00 0.00 N ATOM 551 CA ASN A 37 6.335 1.744 10.599 1.00 0.00 C ATOM 552 C ASN A 37 7.807 2.133 10.887 1.00 0.00 C ATOM 553 O ASN A 37 8.353 1.866 11.959 1.00 0.00 O ATOM 554 CB ASN A 37 5.380 2.951 10.648 1.00 0.00 C ATOM 555 CG ASN A 37 5.434 3.707 11.973 1.00 0.00 C ATOM 556 OD1 ASN A 37 4.938 3.250 12.994 1.00 0.00 O ATOM 557 ND2 ASN A 37 6.040 4.881 11.999 1.00 0.00 N ATOM 0 H ASN A 37 5.152 1.013 12.164 1.00 0.00 H new ATOM 0 HA ASN A 37 6.368 1.354 9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.628 3.635 9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.360 2.607 10.475 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.095 5.407 12.871 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.453 5.261 11.147 1.00 0.00 H new ATOM 564 N GLU A 38 8.433 2.800 9.911 1.00 0.00 N ATOM 565 CA GLU A 38 9.854 3.184 9.875 1.00 0.00 C ATOM 566 C GLU A 38 10.365 3.942 11.109 1.00 0.00 C ATOM 567 O GLU A 38 11.462 3.647 11.587 1.00 0.00 O ATOM 568 CB GLU A 38 10.142 3.963 8.576 1.00 0.00 C ATOM 569 CG GLU A 38 9.582 5.396 8.463 1.00 0.00 C ATOM 570 CD GLU A 38 8.054 5.461 8.627 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.320 5.202 7.648 1.00 0.00 O ATOM 572 OE2 GLU A 38 7.591 5.724 9.764 1.00 0.00 O ATOM 0 H GLU A 38 7.935 3.105 9.075 1.00 0.00 H new ATOM 0 HA GLU A 38 10.417 2.251 9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.223 4.014 8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.749 3.382 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.050 6.023 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.855 5.811 7.493 1.00 0.00 H new ATOM 579 N GLU A 39 9.582 4.871 11.665 1.00 0.00 N ATOM 580 CA GLU A 39 9.951 5.644 12.862 1.00 0.00 C ATOM 581 C GLU A 39 10.184 4.717 14.074 1.00 0.00 C ATOM 582 O GLU A 39 11.127 4.927 14.836 1.00 0.00 O ATOM 583 CB GLU A 39 8.855 6.682 13.155 1.00 0.00 C ATOM 584 CG GLU A 39 9.234 7.662 14.270 1.00 0.00 C ATOM 585 CD GLU A 39 8.089 8.639 14.562 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.127 8.260 15.275 1.00 0.00 O ATOM 587 OE2 GLU A 39 8.139 9.802 14.094 1.00 0.00 O ATOM 0 H GLU A 39 8.663 5.113 11.295 1.00 0.00 H new ATOM 0 HA GLU A 39 10.890 6.165 12.674 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.642 7.242 12.245 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.937 6.163 13.432 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.483 7.108 15.175 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.126 8.218 13.981 1.00 0.00 H new ATOM 594 N GLY A 40 9.379 3.653 14.205 1.00 0.00 N ATOM 595 CA GLY A 40 9.512 2.624 15.244 1.00 0.00 C ATOM 596 C GLY A 40 10.734 1.716 15.060 1.00 0.00 C ATOM 597 O GLY A 40 11.115 1.012 15.997 1.00 0.00 O ATOM 0 H GLY A 40 8.597 3.481 13.574 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.575 3.110 16.218 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.612 2.010 15.252 1.00 0.00 H new ATOM 601 N MET A 41 11.369 1.752 13.879 1.00 0.00 N ATOM 602 CA MET A 41 12.663 1.119 13.618 1.00 0.00 C ATOM 603 C MET A 41 13.805 2.109 13.848 1.00 0.00 C ATOM 604 O MET A 41 14.708 1.844 14.641 1.00 0.00 O ATOM 605 CB MET A 41 12.718 0.549 12.182 1.00 0.00 C ATOM 606 CG MET A 41 11.539 -0.355 11.812 1.00 0.00 C ATOM 607 SD MET A 41 11.149 -1.654 13.012 1.00 0.00 S ATOM 608 CE MET A 41 9.594 -2.196 12.267 1.00 0.00 C ATOM 0 H MET A 41 10.987 2.233 13.065 1.00 0.00 H new ATOM 0 HA MET A 41 12.781 0.291 14.317 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.758 1.379 11.477 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.643 -0.015 12.064 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.655 0.268 11.676 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.750 -0.824 10.851 1.00 0.00 H new ATOM 0 HE1 MET A 41 9.280 -3.135 12.723 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.828 -1.439 12.432 1.00 0.00 H new ATOM 0 HE3 MET A 41 9.735 -2.342 11.196 1.00 0.00 H new ATOM 618 N VAL A 42 13.757 3.267 13.187 1.00 0.00 N ATOM 619 CA VAL A 42 14.861 4.248 13.146 1.00 0.00 C ATOM 620 C VAL A 42 15.094 4.914 14.514 1.00 0.00 C ATOM 621 O VAL A 42 16.246 5.087 14.919 1.00 0.00 O ATOM 622 CB VAL A 42 14.608 5.303 12.042 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.636 6.447 12.050 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.665 4.649 10.646 1.00 0.00 C ATOM 0 H VAL A 42 12.939 3.561 12.654 1.00 0.00 H new ATOM 0 HA VAL A 42 15.775 3.706 12.901 1.00 0.00 H new ATOM 0 HB VAL A 42 13.621 5.714 12.254 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.402 7.152 11.252 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.601 6.961 13.010 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.635 6.040 11.893 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.485 5.405 9.882 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.648 4.205 10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.902 3.874 10.576 1.00 0.00 H new ATOM 634 N GLY A 43 14.031 5.250 15.261 1.00 0.00 N ATOM 635 CA GLY A 43 14.130 5.946 16.554 1.00 0.00 C ATOM 636 C GLY A 43 14.676 5.064 17.676 1.00 0.00 C ATOM 637 O GLY A 43 15.530 5.492 18.450 1.00 0.00 O ATOM 0 H GLY A 43 13.071 5.045 14.983 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.774 6.818 16.441 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.144 6.313 16.837 1.00 0.00 H new ATOM 641 N GLU A 44 14.227 3.813 17.741 1.00 0.00 N ATOM 642 CA GLU A 44 14.644 2.848 18.766 1.00 0.00 C ATOM 643 C GLU A 44 16.068 2.312 18.534 1.00 0.00 C ATOM 644 O GLU A 44 16.749 1.953 19.500 1.00 0.00 O ATOM 645 CB GLU A 44 13.622 1.700 18.839 1.00 0.00 C ATOM 646 CG GLU A 44 12.447 1.969 19.794 1.00 0.00 C ATOM 647 CD GLU A 44 11.770 3.331 19.570 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.065 3.509 18.551 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.927 4.226 20.429 1.00 0.00 O ATOM 0 H GLU A 44 13.554 3.432 17.076 1.00 0.00 H new ATOM 0 HA GLU A 44 14.671 3.370 19.723 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.229 1.513 17.840 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.134 0.791 19.156 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.705 1.180 19.674 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.806 1.916 20.822 1.00 0.00 H new ATOM 656 N LEU A 45 16.565 2.307 17.288 1.00 0.00 N ATOM 657 CA LEU A 45 17.947 1.925 16.969 1.00 0.00 C ATOM 658 C LEU A 45 18.973 2.907 17.559 1.00 0.00 C ATOM 659 O LEU A 45 20.048 2.497 18.004 1.00 0.00 O ATOM 660 CB LEU A 45 18.076 1.821 15.437 1.00 0.00 C ATOM 661 CG LEU A 45 19.415 1.225 14.967 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.559 -0.251 15.378 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.523 1.367 13.448 1.00 0.00 C ATOM 0 H LEU A 45 16.016 2.569 16.470 1.00 0.00 H new ATOM 0 HA LEU A 45 18.168 0.960 17.426 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.261 1.207 15.054 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.958 2.814 15.003 1.00 0.00 H new ATOM 0 HG LEU A 45 20.224 1.774 15.449 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.517 -0.634 15.028 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.511 -0.333 16.464 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.751 -0.833 14.934 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.470 0.946 13.110 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.699 0.834 12.973 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.477 2.422 13.177 1.00 0.00 H new ATOM 675 N ILE A 46 18.634 4.199 17.600 1.00 0.00 N ATOM 676 CA ILE A 46 19.459 5.254 18.212 1.00 0.00 C ATOM 677 C ILE A 46 19.603 5.006 19.717 1.00 0.00 C ATOM 678 O ILE A 46 20.716 5.062 20.245 1.00 0.00 O ATOM 679 CB ILE A 46 18.861 6.648 17.927 1.00 0.00 C ATOM 680 CG1 ILE A 46 18.849 6.920 16.406 1.00 0.00 C ATOM 681 CG2 ILE A 46 19.640 7.765 18.647 1.00 0.00 C ATOM 682 CD1 ILE A 46 17.876 8.031 16.024 1.00 0.00 C ATOM 0 H ILE A 46 17.763 4.551 17.202 1.00 0.00 H new ATOM 0 HA ILE A 46 20.454 5.225 17.767 1.00 0.00 H new ATOM 0 HB ILE A 46 17.841 6.650 18.310 1.00 0.00 H new ATOM 0 HG12 ILE A 46 19.853 7.191 16.080 1.00 0.00 H new ATOM 0 HG13 ILE A 46 18.578 6.006 15.878 1.00 0.00 H new ATOM 0 HG21 ILE A 46 19.186 8.730 18.420 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.610 7.594 19.723 1.00 0.00 H new ATOM 0 HG23 ILE A 46 20.676 7.763 18.308 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.904 8.184 14.945 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.867 7.750 16.324 1.00 0.00 H new ATOM 0 HD13 ILE A 46 18.161 8.954 16.529 1.00 0.00 H new ATOM 694 N ALA A 47 18.505 4.677 20.402 1.00 0.00 N ATOM 695 CA ALA A 47 18.498 4.347 21.823 1.00 0.00 C ATOM 696 C ALA A 47 19.339 3.094 22.126 1.00 0.00 C ATOM 697 O ALA A 47 20.091 3.097 23.102 1.00 0.00 O ATOM 698 CB ALA A 47 17.040 4.195 22.279 1.00 0.00 C ATOM 0 H ALA A 47 17.580 4.633 19.973 1.00 0.00 H new ATOM 0 HA ALA A 47 18.966 5.154 22.387 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.015 3.948 23.340 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.507 5.131 22.111 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.562 3.398 21.709 1.00 0.00 H new ATOM 704 N PHE A 48 19.274 2.058 21.276 1.00 0.00 N ATOM 705 CA PHE A 48 20.102 0.856 21.406 1.00 0.00 C ATOM 706 C PHE A 48 21.595 1.175 21.294 1.00 0.00 C ATOM 707 O PHE A 48 22.378 0.766 22.150 1.00 0.00 O ATOM 708 CB PHE A 48 19.661 -0.180 20.361 1.00 0.00 C ATOM 709 CG PHE A 48 20.348 -1.540 20.421 1.00 0.00 C ATOM 710 CD1 PHE A 48 20.643 -2.158 21.654 1.00 0.00 C ATOM 711 CD2 PHE A 48 20.628 -2.221 19.221 1.00 0.00 C ATOM 712 CE1 PHE A 48 21.173 -3.461 21.681 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.162 -3.514 19.250 1.00 0.00 C ATOM 714 CZ PHE A 48 21.431 -4.142 20.478 1.00 0.00 C ATOM 0 H PHE A 48 18.641 2.033 20.476 1.00 0.00 H new ATOM 0 HA PHE A 48 19.956 0.437 22.402 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.587 -0.335 20.466 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.827 0.243 19.370 1.00 0.00 H new ATOM 0 HD1 PHE A 48 20.462 -1.630 22.579 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.430 -1.743 18.273 1.00 0.00 H new ATOM 0 HE1 PHE A 48 21.382 -3.939 22.627 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.368 -4.032 18.325 1.00 0.00 H new ATOM 0 HZ PHE A 48 21.834 -5.144 20.498 1.00 0.00 H new ATOM 724 N CYS A 49 21.990 1.951 20.276 1.00 0.00 N ATOM 725 CA CYS A 49 23.365 2.421 20.076 1.00 0.00 C ATOM 726 C CYS A 49 23.872 3.279 21.258 1.00 0.00 C ATOM 727 O CYS A 49 25.015 3.109 21.704 1.00 0.00 O ATOM 728 CB CYS A 49 23.391 3.194 18.744 1.00 0.00 C ATOM 729 SG CYS A 49 25.100 3.624 18.300 1.00 0.00 S ATOM 0 H CYS A 49 21.348 2.276 19.553 1.00 0.00 H new ATOM 0 HA CYS A 49 24.048 1.572 20.034 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.944 2.589 17.955 1.00 0.00 H new ATOM 0 HB3 CYS A 49 22.791 4.100 18.829 1.00 0.00 H new ATOM 0 HG CYS A 49 25.597 2.695 17.538 1.00 0.00 H new ATOM 735 N THR A 50 23.020 4.170 21.784 1.00 0.00 N ATOM 736 CA THR A 50 23.338 5.125 22.860 1.00 0.00 C ATOM 737 C THR A 50 23.441 4.442 24.219 1.00 0.00 C ATOM 738 O THR A 50 24.481 4.545 24.871 1.00 0.00 O ATOM 739 CB THR A 50 22.303 6.261 22.894 1.00 0.00 C ATOM 740 OG1 THR A 50 22.284 6.903 21.640 1.00 0.00 O ATOM 741 CG2 THR A 50 22.651 7.326 23.935 1.00 0.00 C ATOM 0 H THR A 50 22.056 4.250 21.462 1.00 0.00 H new ATOM 0 HA THR A 50 24.317 5.551 22.642 1.00 0.00 H new ATOM 0 HB THR A 50 21.341 5.813 23.145 1.00 0.00 H new ATOM 0 HG1 THR A 50 21.745 6.378 21.012 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.892 8.108 23.923 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.686 6.870 24.924 1.00 0.00 H new ATOM 0 HG23 THR A 50 23.623 7.760 23.701 1.00 0.00 H new ATOM 749 N SER A 51 22.405 3.733 24.659 1.00 0.00 N ATOM 750 CA SER A 51 22.300 3.244 26.046 1.00 0.00 C ATOM 751 C SER A 51 23.266 2.097 26.388 1.00 0.00 C ATOM 752 O SER A 51 23.685 1.973 27.545 1.00 0.00 O ATOM 753 CB SER A 51 20.858 2.813 26.344 1.00 0.00 C ATOM 754 OG SER A 51 19.958 3.911 26.242 1.00 0.00 O ATOM 0 H SER A 51 21.612 3.477 24.071 1.00 0.00 H new ATOM 0 HA SER A 51 22.590 4.083 26.679 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.559 2.029 25.648 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.803 2.387 27.346 1.00 0.00 H new ATOM 0 HG SER A 51 19.047 3.606 26.435 1.00 0.00 H new ATOM 760 N THR A 52 23.660 1.274 25.401 1.00 0.00 N ATOM 761 CA THR A 52 24.725 0.256 25.554 1.00 0.00 C ATOM 762 C THR A 52 26.108 0.762 25.123 1.00 0.00 C ATOM 763 O THR A 52 27.110 0.100 25.392 1.00 0.00 O ATOM 764 CB THR A 52 24.381 -1.057 24.839 1.00 0.00 C ATOM 765 OG1 THR A 52 24.350 -0.848 23.452 1.00 0.00 O ATOM 766 CG2 THR A 52 23.040 -1.637 25.278 1.00 0.00 C ATOM 0 H THR A 52 23.249 1.293 24.468 1.00 0.00 H new ATOM 0 HA THR A 52 24.778 0.053 26.624 1.00 0.00 H new ATOM 0 HB THR A 52 25.157 -1.773 25.108 1.00 0.00 H new ATOM 0 HG1 THR A 52 23.594 -0.268 23.225 1.00 0.00 H new ATOM 0 HG21 THR A 52 22.851 -2.565 24.738 1.00 0.00 H new ATOM 0 HG22 THR A 52 23.064 -1.838 26.349 1.00 0.00 H new ATOM 0 HG23 THR A 52 22.246 -0.923 25.061 1.00 0.00 H new ATOM 774 N HIS A 53 26.171 1.940 24.493 1.00 0.00 N ATOM 775 CA HIS A 53 27.382 2.729 24.208 1.00 0.00 C ATOM 776 C HIS A 53 28.248 2.112 23.085 1.00 0.00 C ATOM 777 O HIS A 53 29.466 1.948 23.206 1.00 0.00 O ATOM 778 CB HIS A 53 28.139 3.028 25.524 1.00 0.00 C ATOM 779 CG HIS A 53 29.074 4.212 25.437 1.00 0.00 C ATOM 780 ND1 HIS A 53 28.706 5.539 25.511 1.00 0.00 N ATOM 781 CD2 HIS A 53 30.436 4.180 25.292 1.00 0.00 C ATOM 782 CE1 HIS A 53 29.821 6.283 25.414 1.00 0.00 C ATOM 783 NE2 HIS A 53 30.908 5.498 25.276 1.00 0.00 N ATOM 0 H HIS A 53 25.329 2.399 24.146 1.00 0.00 H new ATOM 0 HA HIS A 53 27.087 3.693 23.795 1.00 0.00 H new ATOM 0 HB2 HIS A 53 27.413 3.208 26.316 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.711 2.146 25.811 1.00 0.00 H new ATOM 0 HD2 HIS A 53 31.042 3.290 25.205 1.00 0.00 H new ATOM 0 HE1 HIS A 53 29.843 7.362 25.443 1.00 0.00 H new ATOM 0 HE2 HIS A 53 31.877 5.802 25.180 1.00 0.00 H new ATOM 791 N LYS A 54 27.613 1.734 21.971 1.00 0.00 N ATOM 792 CA LYS A 54 28.254 1.002 20.862 1.00 0.00 C ATOM 793 C LYS A 54 29.201 1.882 20.029 1.00 0.00 C ATOM 794 O LYS A 54 30.257 1.427 19.594 1.00 0.00 O ATOM 795 CB LYS A 54 27.173 0.394 19.952 1.00 0.00 C ATOM 796 CG LYS A 54 26.127 -0.428 20.712 1.00 0.00 C ATOM 797 CD LYS A 54 25.201 -1.145 19.724 1.00 0.00 C ATOM 798 CE LYS A 54 24.010 -1.815 20.417 1.00 0.00 C ATOM 799 NZ LYS A 54 24.432 -2.864 21.381 1.00 0.00 N ATOM 0 H LYS A 54 26.625 1.928 21.807 1.00 0.00 H new ATOM 0 HA LYS A 54 28.863 0.216 21.308 1.00 0.00 H new ATOM 0 HB2 LYS A 54 26.671 1.196 19.412 1.00 0.00 H new ATOM 0 HB3 LYS A 54 27.652 -0.241 19.207 1.00 0.00 H new ATOM 0 HG2 LYS A 54 26.622 -1.157 21.353 1.00 0.00 H new ATOM 0 HG3 LYS A 54 25.543 0.224 21.362 1.00 0.00 H new ATOM 0 HD2 LYS A 54 24.834 -0.428 18.990 1.00 0.00 H new ATOM 0 HD3 LYS A 54 25.770 -1.898 19.178 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.425 -1.059 20.940 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.358 -2.258 19.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 23.691 -3.590 21.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 25.316 -3.302 21.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 24.585 -2.435 22.316 1.00 0.00 H new ATOM 813 N VAL A 55 28.789 3.130 19.800 1.00 0.00 N ATOM 814 CA VAL A 55 29.438 4.149 18.953 1.00 0.00 C ATOM 815 C VAL A 55 29.476 3.678 17.491 1.00 0.00 C ATOM 816 O VAL A 55 30.459 3.093 17.028 1.00 0.00 O ATOM 817 CB VAL A 55 30.835 4.594 19.476 1.00 0.00 C ATOM 818 CG1 VAL A 55 31.359 5.794 18.674 1.00 0.00 C ATOM 819 CG2 VAL A 55 30.783 5.004 20.960 1.00 0.00 C ATOM 0 H VAL A 55 27.935 3.486 20.228 1.00 0.00 H new ATOM 0 HA VAL A 55 28.827 5.050 19.006 1.00 0.00 H new ATOM 0 HB VAL A 55 31.498 3.737 19.358 1.00 0.00 H new ATOM 0 HG11 VAL A 55 32.336 6.088 19.056 1.00 0.00 H new ATOM 0 HG12 VAL A 55 31.448 5.518 17.623 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.665 6.628 18.772 1.00 0.00 H new ATOM 0 HG21 VAL A 55 31.777 5.308 21.288 1.00 0.00 H new ATOM 0 HG22 VAL A 55 30.090 5.836 21.084 1.00 0.00 H new ATOM 0 HG23 VAL A 55 30.446 4.158 21.559 1.00 0.00 H new ATOM 829 N GLY A 56 28.369 3.923 16.775 1.00 0.00 N ATOM 830 CA GLY A 56 28.144 3.470 15.396 1.00 0.00 C ATOM 831 C GLY A 56 27.338 2.173 15.294 1.00 0.00 C ATOM 832 O GLY A 56 26.954 1.572 16.301 1.00 0.00 O ATOM 0 H GLY A 56 27.585 4.456 17.150 1.00 0.00 H new ATOM 0 HA2 GLY A 56 27.623 4.254 14.847 1.00 0.00 H new ATOM 0 HA3 GLY A 56 29.109 3.326 14.909 1.00 0.00 H new ATOM 836 N LEU A 57 27.059 1.762 14.050 1.00 0.00 N ATOM 837 CA LEU A 57 26.175 0.649 13.690 1.00 0.00 C ATOM 838 C LEU A 57 26.830 -0.271 12.643 1.00 0.00 C ATOM 839 O LEU A 57 27.612 0.191 11.808 1.00 0.00 O ATOM 840 CB LEU A 57 24.853 1.233 13.140 1.00 0.00 C ATOM 841 CG LEU A 57 23.963 1.905 14.213 1.00 0.00 C ATOM 842 CD1 LEU A 57 22.983 2.879 13.551 1.00 0.00 C ATOM 843 CD2 LEU A 57 23.183 0.869 15.024 1.00 0.00 C ATOM 0 H LEU A 57 27.462 2.218 13.231 1.00 0.00 H new ATOM 0 HA LEU A 57 25.981 0.044 14.576 1.00 0.00 H new ATOM 0 HB2 LEU A 57 25.086 1.965 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.286 0.434 12.662 1.00 0.00 H new ATOM 0 HG LEU A 57 24.619 2.448 14.893 1.00 0.00 H new ATOM 0 HD11 LEU A 57 22.362 3.346 14.315 1.00 0.00 H new ATOM 0 HD12 LEU A 57 23.540 3.648 13.016 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.349 2.337 12.850 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.569 1.377 15.768 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.542 0.292 14.357 1.00 0.00 H new ATOM 0 HD23 LEU A 57 23.881 0.199 15.526 1.00 0.00 H new ATOM 855 N THR A 58 26.485 -1.564 12.686 1.00 0.00 N ATOM 856 CA THR A 58 26.998 -2.642 11.823 1.00 0.00 C ATOM 857 C THR A 58 25.901 -3.669 11.559 1.00 0.00 C ATOM 858 O THR A 58 24.877 -3.691 12.240 1.00 0.00 O ATOM 859 CB THR A 58 28.209 -3.354 12.455 1.00 0.00 C ATOM 860 OG1 THR A 58 27.790 -4.025 13.624 1.00 0.00 O ATOM 861 CG2 THR A 58 29.369 -2.424 12.811 1.00 0.00 C ATOM 0 H THR A 58 25.802 -1.908 13.361 1.00 0.00 H new ATOM 0 HA THR A 58 27.318 -2.183 10.887 1.00 0.00 H new ATOM 0 HB THR A 58 28.585 -4.044 11.700 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.555 -4.482 14.031 1.00 0.00 H new ATOM 0 HG21 THR A 58 30.180 -3.005 13.250 1.00 0.00 H new ATOM 0 HG22 THR A 58 29.726 -1.926 11.909 1.00 0.00 H new ATOM 0 HG23 THR A 58 29.029 -1.676 13.528 1.00 0.00 H new ATOM 869 N SER A 59 26.127 -4.578 10.618 1.00 0.00 N ATOM 870 CA SER A 59 25.219 -5.702 10.348 1.00 0.00 C ATOM 871 C SER A 59 25.055 -6.653 11.547 1.00 0.00 C ATOM 872 O SER A 59 23.986 -7.243 11.714 1.00 0.00 O ATOM 873 CB SER A 59 25.714 -6.470 9.115 1.00 0.00 C ATOM 874 OG SER A 59 27.085 -6.841 9.246 1.00 0.00 O ATOM 0 H SER A 59 26.948 -4.562 10.014 1.00 0.00 H new ATOM 0 HA SER A 59 24.231 -5.283 10.159 1.00 0.00 H new ATOM 0 HB2 SER A 59 25.106 -7.364 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.586 -5.853 8.225 1.00 0.00 H new ATOM 0 HG SER A 59 27.370 -7.330 8.446 1.00 0.00 H new ATOM 880 N GLU A 60 26.067 -6.762 12.419 1.00 0.00 N ATOM 881 CA GLU A 60 26.016 -7.537 13.661 1.00 0.00 C ATOM 882 C GLU A 60 25.151 -6.838 14.728 1.00 0.00 C ATOM 883 O GLU A 60 24.390 -7.486 15.449 1.00 0.00 O ATOM 884 CB GLU A 60 27.451 -7.737 14.175 1.00 0.00 C ATOM 885 CG GLU A 60 27.578 -8.775 15.299 1.00 0.00 C ATOM 886 CD GLU A 60 27.332 -10.204 14.789 1.00 0.00 C ATOM 887 OE1 GLU A 60 28.272 -10.816 14.224 1.00 0.00 O ATOM 888 OE2 GLU A 60 26.206 -10.735 14.958 1.00 0.00 O ATOM 0 H GLU A 60 26.965 -6.301 12.274 1.00 0.00 H new ATOM 0 HA GLU A 60 25.555 -8.503 13.458 1.00 0.00 H new ATOM 0 HB2 GLU A 60 28.084 -8.041 13.342 1.00 0.00 H new ATOM 0 HB3 GLU A 60 27.833 -6.781 14.534 1.00 0.00 H new ATOM 0 HG2 GLU A 60 28.573 -8.713 15.740 1.00 0.00 H new ATOM 0 HG3 GLU A 60 26.864 -8.544 16.089 1.00 0.00 H new ATOM 895 N ILE A 61 25.214 -5.504 14.811 1.00 0.00 N ATOM 896 CA ILE A 61 24.364 -4.701 15.706 1.00 0.00 C ATOM 897 C ILE A 61 22.907 -4.720 15.222 1.00 0.00 C ATOM 898 O ILE A 61 22.000 -4.893 16.035 1.00 0.00 O ATOM 899 CB ILE A 61 24.951 -3.271 15.846 1.00 0.00 C ATOM 900 CG1 ILE A 61 26.311 -3.330 16.581 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.974 -2.347 16.598 1.00 0.00 C ATOM 902 CD1 ILE A 61 27.138 -2.043 16.506 1.00 0.00 C ATOM 0 H ILE A 61 25.861 -4.944 14.255 1.00 0.00 H new ATOM 0 HA ILE A 61 24.356 -5.137 16.705 1.00 0.00 H new ATOM 0 HB ILE A 61 25.103 -2.860 14.848 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.132 -3.569 17.629 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.899 -4.148 16.163 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.408 -1.351 16.683 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.034 -2.288 16.049 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.788 -2.748 17.594 1.00 0.00 H new ATOM 0 HD11 ILE A 61 28.073 -2.179 17.049 1.00 0.00 H new ATOM 0 HD12 ILE A 61 27.355 -1.810 15.463 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.576 -1.223 16.952 1.00 0.00 H new ATOM 914 N LEU A 62 22.654 -4.644 13.912 1.00 0.00 N ATOM 915 CA LEU A 62 21.300 -4.742 13.349 1.00 0.00 C ATOM 916 C LEU A 62 20.697 -6.151 13.465 1.00 0.00 C ATOM 917 O LEU A 62 19.483 -6.279 13.628 1.00 0.00 O ATOM 918 CB LEU A 62 21.288 -4.231 11.895 1.00 0.00 C ATOM 919 CG LEU A 62 21.031 -2.721 11.703 1.00 0.00 C ATOM 920 CD1 LEU A 62 19.659 -2.322 12.259 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.111 -1.815 12.305 1.00 0.00 C ATOM 0 H LEU A 62 23.382 -4.513 13.209 1.00 0.00 H new ATOM 0 HA LEU A 62 20.655 -4.100 13.949 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.247 -4.476 11.438 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.524 -4.781 11.345 1.00 0.00 H new ATOM 0 HG LEU A 62 21.060 -2.565 10.625 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.503 -1.253 12.111 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.880 -2.878 11.738 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.617 -2.551 13.324 1.00 0.00 H new ATOM 0 HD21 LEU A 62 21.852 -0.772 12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.178 -1.992 13.378 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.072 -2.036 11.840 1.00 0.00 H new ATOM 933 N ASN A 63 21.516 -7.208 13.461 1.00 0.00 N ATOM 934 CA ASN A 63 21.091 -8.568 13.818 1.00 0.00 C ATOM 935 C ASN A 63 20.696 -8.678 15.313 1.00 0.00 C ATOM 936 O ASN A 63 19.813 -9.455 15.684 1.00 0.00 O ATOM 937 CB ASN A 63 22.234 -9.531 13.448 1.00 0.00 C ATOM 938 CG ASN A 63 21.925 -10.982 13.796 1.00 0.00 C ATOM 939 OD1 ASN A 63 20.939 -11.557 13.350 1.00 0.00 O ATOM 940 ND2 ASN A 63 22.757 -11.613 14.600 1.00 0.00 N ATOM 0 H ASN A 63 22.502 -7.144 13.208 1.00 0.00 H new ATOM 0 HA ASN A 63 20.192 -8.833 13.261 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.435 -9.454 12.379 1.00 0.00 H new ATOM 0 HB3 ASN A 63 23.143 -9.224 13.966 1.00 0.00 H new ATOM 0 HD21 ASN A 63 22.582 -12.585 14.854 1.00 0.00 H new ATOM 0 HD22 ASN A 63 23.576 -11.129 14.968 1.00 0.00 H new ATOM 947 N SER A 64 21.304 -7.871 16.183 1.00 0.00 N ATOM 948 CA SER A 64 20.960 -7.803 17.613 1.00 0.00 C ATOM 949 C SER A 64 19.708 -6.941 17.889 1.00 0.00 C ATOM 950 O SER A 64 18.967 -7.237 18.826 1.00 0.00 O ATOM 951 CB SER A 64 22.160 -7.281 18.422 1.00 0.00 C ATOM 952 OG SER A 64 23.313 -8.097 18.250 1.00 0.00 O ATOM 0 H SER A 64 22.058 -7.237 15.917 1.00 0.00 H new ATOM 0 HA SER A 64 20.718 -8.817 17.931 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.389 -6.261 18.114 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.896 -7.244 19.479 1.00 0.00 H new ATOM 0 HG SER A 64 23.715 -7.915 17.375 1.00 0.00 H new ATOM 958 N PHE A 65 19.426 -5.919 17.070 1.00 0.00 N ATOM 959 CA PHE A 65 18.319 -4.975 17.265 1.00 0.00 C ATOM 960 C PHE A 65 16.925 -5.630 17.282 1.00 0.00 C ATOM 961 O PHE A 65 16.051 -5.189 18.035 1.00 0.00 O ATOM 962 CB PHE A 65 18.405 -3.880 16.195 1.00 0.00 C ATOM 963 CG PHE A 65 17.268 -2.876 16.266 1.00 0.00 C ATOM 964 CD1 PHE A 65 17.137 -2.042 17.393 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.306 -2.814 15.238 1.00 0.00 C ATOM 966 CE1 PHE A 65 16.043 -1.163 17.499 1.00 0.00 C ATOM 967 CE2 PHE A 65 15.214 -1.931 15.339 1.00 0.00 C ATOM 968 CZ PHE A 65 15.083 -1.106 16.473 1.00 0.00 C ATOM 0 H PHE A 65 19.975 -5.722 16.233 1.00 0.00 H new ATOM 0 HA PHE A 65 18.434 -4.545 18.260 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.353 -3.352 16.301 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.408 -4.345 15.209 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.878 -2.077 18.178 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.407 -3.447 14.369 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.941 -0.532 18.369 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.479 -1.886 14.549 1.00 0.00 H new ATOM 0 HZ PHE A 65 14.245 -0.429 16.555 1.00 0.00 H new ATOM 978 N GLU A 66 16.707 -6.711 16.526 1.00 0.00 N ATOM 979 CA GLU A 66 15.445 -7.466 16.575 1.00 0.00 C ATOM 980 C GLU A 66 15.189 -8.080 17.963 1.00 0.00 C ATOM 981 O GLU A 66 14.056 -8.135 18.427 1.00 0.00 O ATOM 982 CB GLU A 66 15.444 -8.587 15.526 1.00 0.00 C ATOM 983 CG GLU A 66 15.337 -8.069 14.090 1.00 0.00 C ATOM 984 CD GLU A 66 15.199 -9.239 13.106 1.00 0.00 C ATOM 985 OE1 GLU A 66 14.100 -9.834 13.019 1.00 0.00 O ATOM 986 OE2 GLU A 66 16.191 -9.568 12.409 1.00 0.00 O ATOM 0 H GLU A 66 17.391 -7.086 15.869 1.00 0.00 H new ATOM 0 HA GLU A 66 14.647 -6.755 16.361 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.359 -9.171 15.627 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.611 -9.261 15.725 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.476 -7.406 13.999 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.220 -7.480 13.843 1.00 0.00 H new ATOM 993 N HIS A 67 16.249 -8.505 18.656 1.00 0.00 N ATOM 994 CA HIS A 67 16.177 -9.079 19.999 1.00 0.00 C ATOM 995 C HIS A 67 16.046 -8.009 21.101 1.00 0.00 C ATOM 996 O HIS A 67 15.592 -8.311 22.206 1.00 0.00 O ATOM 997 CB HIS A 67 17.438 -9.926 20.228 1.00 0.00 C ATOM 998 CG HIS A 67 17.590 -11.071 19.251 1.00 0.00 C ATOM 999 ND1 HIS A 67 18.277 -11.061 18.055 1.00 0.00 N ATOM 1000 CD2 HIS A 67 17.049 -12.326 19.385 1.00 0.00 C ATOM 1001 CE1 HIS A 67 18.151 -12.274 17.488 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.416 -13.089 18.265 1.00 0.00 N ATOM 0 H HIS A 67 17.200 -8.458 18.290 1.00 0.00 H new ATOM 0 HA HIS A 67 15.278 -9.692 20.061 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.315 -9.282 20.158 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.417 -10.326 21.242 1.00 0.00 H new ATOM 0 HD1 HIS A 67 18.792 -10.270 17.668 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.444 -12.668 20.212 1.00 0.00 H new ATOM 0 HE1 HIS A 67 18.581 -12.555 16.538 1.00 0.00 H new ATOM 1010 N GLU A 68 16.448 -6.768 20.797 1.00 0.00 N ATOM 1011 CA GLU A 68 16.437 -5.633 21.720 1.00 0.00 C ATOM 1012 C GLU A 68 15.027 -5.048 21.903 1.00 0.00 C ATOM 1013 O GLU A 68 14.635 -4.773 23.040 1.00 0.00 O ATOM 1014 CB GLU A 68 17.419 -4.575 21.186 1.00 0.00 C ATOM 1015 CG GLU A 68 17.382 -3.230 21.913 1.00 0.00 C ATOM 1016 CD GLU A 68 17.780 -3.277 23.402 1.00 0.00 C ATOM 1017 OE1 GLU A 68 18.462 -4.230 23.852 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.421 -2.325 24.139 1.00 0.00 O ATOM 0 H GLU A 68 16.800 -6.522 19.872 1.00 0.00 H new ATOM 0 HA GLU A 68 16.750 -5.969 22.709 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.430 -4.976 21.248 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.208 -4.406 20.130 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.048 -2.538 21.397 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.375 -2.821 21.835 1.00 0.00 H new ATOM 1025 N PHE A 69 14.276 -4.841 20.810 1.00 0.00 N ATOM 1026 CA PHE A 69 12.984 -4.144 20.853 1.00 0.00 C ATOM 1027 C PHE A 69 11.846 -4.899 20.156 1.00 0.00 C ATOM 1028 O PHE A 69 10.771 -5.023 20.744 1.00 0.00 O ATOM 1029 CB PHE A 69 13.155 -2.736 20.261 1.00 0.00 C ATOM 1030 CG PHE A 69 11.946 -1.845 20.499 1.00 0.00 C ATOM 1031 CD1 PHE A 69 11.846 -1.105 21.695 1.00 0.00 C ATOM 1032 CD2 PHE A 69 10.894 -1.788 19.559 1.00 0.00 C ATOM 1033 CE1 PHE A 69 10.716 -0.311 21.950 1.00 0.00 C ATOM 1034 CE2 PHE A 69 9.761 -0.996 19.814 1.00 0.00 C ATOM 1035 CZ PHE A 69 9.669 -0.260 21.008 1.00 0.00 C ATOM 0 H PHE A 69 14.547 -5.151 19.877 1.00 0.00 H new ATOM 0 HA PHE A 69 12.685 -4.083 21.899 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.037 -2.268 20.698 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.335 -2.817 19.189 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.645 -1.149 22.421 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.960 -2.354 18.642 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.650 0.259 22.865 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.960 -0.953 19.091 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.796 0.345 21.204 1.00 0.00 H new ATOM 1045 N LEU A 70 12.050 -5.412 18.934 1.00 0.00 N ATOM 1046 CA LEU A 70 10.970 -5.996 18.127 1.00 0.00 C ATOM 1047 C LEU A 70 10.437 -7.292 18.752 1.00 0.00 C ATOM 1048 O LEU A 70 9.227 -7.479 18.829 1.00 0.00 O ATOM 1049 CB LEU A 70 11.435 -6.221 16.669 1.00 0.00 C ATOM 1050 CG LEU A 70 11.474 -4.993 15.731 1.00 0.00 C ATOM 1051 CD1 LEU A 70 10.079 -4.362 15.582 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.489 -3.934 16.164 1.00 0.00 C ATOM 0 H LEU A 70 12.963 -5.434 18.480 1.00 0.00 H new ATOM 0 HA LEU A 70 10.144 -5.285 18.110 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.435 -6.653 16.699 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.779 -6.966 16.219 1.00 0.00 H new ATOM 0 HG LEU A 70 11.802 -5.369 14.762 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.138 -3.501 14.917 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.390 -5.096 15.164 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.719 -4.041 16.559 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.465 -3.099 15.463 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.238 -3.576 17.163 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.488 -4.370 16.175 1.00 0.00 H new ATOM 1064 N SER A 71 11.319 -8.154 19.260 1.00 0.00 N ATOM 1065 CA SER A 71 10.932 -9.378 19.978 1.00 0.00 C ATOM 1066 C SER A 71 10.262 -9.091 21.339 1.00 0.00 C ATOM 1067 O SER A 71 9.377 -9.840 21.765 1.00 0.00 O ATOM 1068 CB SER A 71 12.187 -10.251 20.159 1.00 0.00 C ATOM 1069 OG SER A 71 11.865 -11.540 20.672 1.00 0.00 O ATOM 0 H SER A 71 12.328 -8.026 19.187 1.00 0.00 H new ATOM 0 HA SER A 71 10.183 -9.902 19.384 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.697 -10.358 19.201 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.881 -9.753 20.836 1.00 0.00 H new ATOM 0 HG SER A 71 12.685 -12.066 20.772 1.00 0.00 H new ATOM 1075 N LYS A 72 10.645 -8.003 22.028 1.00 0.00 N ATOM 1076 CA LYS A 72 10.170 -7.689 23.386 1.00 0.00 C ATOM 1077 C LYS A 72 8.867 -6.865 23.418 1.00 0.00 C ATOM 1078 O LYS A 72 7.865 -7.291 24.001 1.00 0.00 O ATOM 1079 CB LYS A 72 11.280 -6.946 24.159 1.00 0.00 C ATOM 1080 CG LYS A 72 12.632 -7.672 24.229 1.00 0.00 C ATOM 1081 CD LYS A 72 13.515 -7.026 25.308 1.00 0.00 C ATOM 1082 CE LYS A 72 14.998 -7.412 25.184 1.00 0.00 C ATOM 1083 NZ LYS A 72 15.226 -8.877 25.262 1.00 0.00 N ATOM 0 H LYS A 72 11.297 -7.312 21.656 1.00 0.00 H new ATOM 0 HA LYS A 72 9.936 -8.642 23.861 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.433 -5.972 23.695 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.932 -6.763 25.176 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.477 -8.727 24.456 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.131 -7.624 23.261 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.421 -5.942 25.245 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.150 -7.320 26.292 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.386 -7.040 24.236 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.563 -6.920 25.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.031 -9.070 25.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.374 -9.341 25.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.433 -9.247 24.312 1.00 0.00 H new