USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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 72 TYR OH : rot 166:sc= 0.467 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -167:sc= 0.517 (180deg=0) USER MOD Set 2.1: A 31 ASN : amide:sc= 0.317 K(o=0.89,f=-5.8!) USER MOD Set 2.2: A 34 ASN : amide:sc= 0.577 K(o=0.89,f=-4!) USER MOD Single : A 13 SER OG : rot 72:sc= 0.0606 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc=-0.00644 (180deg=-0.0971) USER MOD Single : A 20 HIS : no HD1:sc= -0.137 K(o=-0.14,f=-0.82) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= -0.0076 (180deg=-0.0956) USER MOD Single : A 26 SER OG : rot -114:sc= 0.185 USER MOD Single : A 28 GLN : amide:sc= -0.753 K(o=-0.75,f=-1.8) USER MOD Single : A 30 MET CE :methyl -179:sc= -1.4 (180deg=-1.41) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0198 (180deg=-0.235) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0.746 (180deg=0.633) USER MOD Single : A 39 CYS SG : rot 72:sc= -0.203 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 95:sc= -4.49! USER MOD Single : A 43 LYS NZ :NH3+ -120:sc= 0.966 (180deg=-1.23!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -170:sc= 0.326 USER MOD Single : A 51 THR OG1 : rot -39:sc= 0.959 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 149:sc= 0.509 (180deg=0.321) USER MOD Single : A 63 LYS NZ :NH3+ 134:sc= 1.15 (180deg=-1.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -2.85! K(o=-2.9!,f=-0.16) USER MOD Single : A 77 LYS NZ :NH3+ -132:sc= 0.903 (180deg=0.126) USER MOD Single : A 84 THR OG1 : rot -10:sc= 0.829 USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= 1.23 (180deg=-0.199) USER MOD Single : A 88 LYS NZ :NH3+ -164:sc= -0.0281 (180deg=-0.234) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0.162 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 81:sc= 0.248 USER MOD Single : A 101 GLN : amide:sc= -0.713 K(o=-0.71,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 163:sc= -0.134 (180deg=-0.54) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 14.157 0.915 1.163 1.00 0.00 N ATOM 78 CA ILE A 7 13.807 -0.312 1.890 1.00 0.00 C ATOM 79 C ILE A 7 14.121 -1.552 1.035 1.00 0.00 C ATOM 80 O ILE A 7 14.466 -2.610 1.563 1.00 0.00 O ATOM 81 CB ILE A 7 12.302 -0.327 2.279 1.00 0.00 C ATOM 82 CG1 ILE A 7 11.938 0.911 3.121 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.943 -1.611 3.032 1.00 0.00 C ATOM 84 CD1 ILE A 7 12.661 0.988 4.453 1.00 0.00 C ATOM 0 HA ILE A 7 14.405 -0.335 2.801 1.00 0.00 H new ATOM 0 HB ILE A 7 11.720 -0.297 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.164 1.808 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.863 0.911 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.885 -1.596 3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.149 -2.474 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.540 -1.678 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.350 1.887 4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.416 0.110 5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.737 1.022 4.282 1.00 0.00 H new ATOM 96 N ALA A 8 14.002 -1.396 -0.291 1.00 0.00 N ATOM 97 CA ALA A 8 14.232 -2.488 -1.256 1.00 0.00 C ATOM 98 C ALA A 8 13.181 -3.606 -1.127 1.00 0.00 C ATOM 99 O ALA A 8 12.347 -3.793 -2.014 1.00 0.00 O ATOM 100 CB ALA A 8 15.642 -3.055 -1.110 1.00 0.00 C ATOM 0 H ALA A 8 13.744 -0.511 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 8 14.130 -2.060 -2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.788 -3.859 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.372 -2.266 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.774 -3.445 -0.101 1.00 0.00 H new ATOM 106 N GLY A 9 13.220 -4.339 -0.010 1.00 0.00 N ATOM 107 CA GLY A 9 12.254 -5.410 0.239 1.00 0.00 C ATOM 108 C GLY A 9 10.799 -4.972 0.063 1.00 0.00 C ATOM 109 O GLY A 9 9.935 -5.785 -0.276 1.00 0.00 O ATOM 0 H GLY A 9 13.907 -4.210 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.460 -6.239 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.392 -5.785 1.253 1.00 0.00 H new ATOM 113 N LEU A 10 10.529 -3.686 0.298 1.00 0.00 N ATOM 114 CA LEU A 10 9.191 -3.119 0.089 1.00 0.00 C ATOM 115 C LEU A 10 8.796 -3.168 -1.397 1.00 0.00 C ATOM 116 O LEU A 10 7.643 -3.443 -1.733 1.00 0.00 O ATOM 117 CB LEU A 10 9.144 -1.671 0.597 1.00 0.00 C ATOM 118 CG LEU A 10 7.766 -0.986 0.526 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.746 -1.721 1.397 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.867 0.483 0.937 1.00 0.00 C ATOM 0 H LEU A 10 11.220 -3.015 0.634 1.00 0.00 H new ATOM 0 HA LEU A 10 8.477 -3.720 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.484 -1.657 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.854 -1.079 0.020 1.00 0.00 H new ATOM 0 HG LEU A 10 7.423 -1.028 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.781 -1.218 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.644 -2.749 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.085 -1.720 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.882 0.946 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.240 0.550 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.552 1.002 0.266 1.00 0.00 H new ATOM 132 N GLU A 11 9.761 -2.914 -2.284 1.00 0.00 N ATOM 133 CA GLU A 11 9.512 -2.979 -3.728 1.00 0.00 C ATOM 134 C GLU A 11 9.225 -4.426 -4.155 1.00 0.00 C ATOM 135 O GLU A 11 8.269 -4.685 -4.887 1.00 0.00 O ATOM 136 CB GLU A 11 10.697 -2.400 -4.522 1.00 0.00 C ATOM 137 CG GLU A 11 10.463 -2.352 -6.032 1.00 0.00 C ATOM 138 CD GLU A 11 11.545 -1.585 -6.786 1.00 0.00 C ATOM 139 OE1 GLU A 11 12.704 -2.055 -6.813 1.00 0.00 O ATOM 140 OE2 GLU A 11 11.240 -0.512 -7.355 1.00 0.00 O ATOM 0 H GLU A 11 10.717 -2.663 -2.031 1.00 0.00 H new ATOM 0 HA GLU A 11 8.635 -2.371 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.904 -1.392 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.585 -2.999 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.414 -3.370 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.496 -1.889 -6.228 1.00 0.00 H new ATOM 147 N GLU A 12 10.043 -5.368 -3.680 1.00 0.00 N ATOM 148 CA GLU A 12 9.776 -6.800 -3.888 1.00 0.00 C ATOM 149 C GLU A 12 8.345 -7.167 -3.455 1.00 0.00 C ATOM 150 O GLU A 12 7.626 -7.859 -4.178 1.00 0.00 O ATOM 151 CB GLU A 12 10.793 -7.665 -3.120 1.00 0.00 C ATOM 152 CG GLU A 12 12.106 -7.912 -3.865 1.00 0.00 C ATOM 153 CD GLU A 12 12.863 -6.639 -4.212 1.00 0.00 C ATOM 154 OE1 GLU A 12 13.652 -6.163 -3.367 1.00 0.00 O ATOM 155 OE2 GLU A 12 12.695 -6.131 -5.343 1.00 0.00 O ATOM 0 H GLU A 12 10.892 -5.170 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 12 9.878 -7.001 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.015 -7.183 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.333 -8.626 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.746 -8.549 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.895 -8.460 -4.783 1.00 0.00 H new ATOM 162 N SER A 13 7.935 -6.693 -2.275 1.00 0.00 N ATOM 163 CA SER A 13 6.563 -6.908 -1.789 1.00 0.00 C ATOM 164 C SER A 13 5.530 -6.323 -2.762 1.00 0.00 C ATOM 165 O SER A 13 4.498 -6.944 -3.030 1.00 0.00 O ATOM 166 CB SER A 13 6.370 -6.289 -0.397 1.00 0.00 C ATOM 167 OG SER A 13 7.222 -6.900 0.562 1.00 0.00 O ATOM 0 H SER A 13 8.528 -6.160 -1.639 1.00 0.00 H new ATOM 0 HA SER A 13 6.408 -7.985 -1.722 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.576 -5.219 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.331 -6.401 -0.088 1.00 0.00 H new ATOM 0 HG SER A 13 8.148 -6.621 0.402 1.00 0.00 H new ATOM 173 N PHE A 14 5.817 -5.130 -3.289 1.00 0.00 N ATOM 174 CA PHE A 14 4.949 -4.500 -4.289 1.00 0.00 C ATOM 175 C PHE A 14 4.793 -5.408 -5.521 1.00 0.00 C ATOM 176 O PHE A 14 3.680 -5.623 -6.003 1.00 0.00 O ATOM 177 CB PHE A 14 5.508 -3.131 -4.705 1.00 0.00 C ATOM 178 CG PHE A 14 4.646 -2.415 -5.716 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.548 -1.673 -5.304 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.921 -2.494 -7.074 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.746 -1.025 -6.224 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.119 -1.851 -7.996 1.00 0.00 C ATOM 183 CZ PHE A 14 3.030 -1.115 -7.570 1.00 0.00 C ATOM 0 H PHE A 14 6.641 -4.582 -3.041 1.00 0.00 H new ATOM 0 HA PHE A 14 3.966 -4.352 -3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.613 -2.505 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.507 -3.265 -5.120 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.317 -1.601 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.772 -3.065 -7.414 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.897 -0.448 -5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.343 -1.923 -9.050 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.402 -0.611 -8.290 1.00 0.00 H new ATOM 193 N ARG A 15 5.916 -5.941 -6.017 1.00 0.00 N ATOM 194 CA ARG A 15 5.900 -6.897 -7.138 1.00 0.00 C ATOM 195 C ARG A 15 4.986 -8.094 -6.832 1.00 0.00 C ATOM 196 O ARG A 15 4.059 -8.381 -7.583 1.00 0.00 O ATOM 197 CB ARG A 15 7.320 -7.417 -7.449 1.00 0.00 C ATOM 198 CG ARG A 15 8.150 -6.541 -8.388 1.00 0.00 C ATOM 199 CD ARG A 15 8.394 -5.143 -7.834 1.00 0.00 C ATOM 200 NE ARG A 15 9.590 -4.531 -8.411 1.00 0.00 N ATOM 201 CZ ARG A 15 9.615 -3.836 -9.514 1.00 0.00 C ATOM 202 NH1 ARG A 15 8.536 -3.635 -10.199 1.00 0.00 N ATOM 203 NH2 ARG A 15 10.735 -3.348 -9.935 1.00 0.00 N ATOM 0 H ARG A 15 6.848 -5.729 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 15 5.515 -6.362 -8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.862 -7.527 -6.510 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.236 -8.411 -7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.109 -7.025 -8.575 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.640 -6.462 -9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.528 -4.514 -8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.499 -5.195 -6.750 1.00 0.00 H new ATOM 0 HE ARG A 15 10.471 -4.657 -7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.649 -4.023 -9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.573 -3.089 -11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.592 -3.507 -9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.762 -2.803 -10.797 1.00 0.00 H new ATOM 217 N LYS A 16 5.255 -8.772 -5.713 1.00 0.00 N ATOM 218 CA LYS A 16 4.523 -9.992 -5.329 1.00 0.00 C ATOM 219 C LYS A 16 3.001 -9.769 -5.290 1.00 0.00 C ATOM 220 O LYS A 16 2.232 -10.592 -5.791 1.00 0.00 O ATOM 221 CB LYS A 16 5.021 -10.504 -3.968 1.00 0.00 C ATOM 222 CG LYS A 16 6.514 -10.806 -3.954 1.00 0.00 C ATOM 223 CD LYS A 16 6.983 -11.348 -2.607 1.00 0.00 C ATOM 224 CE LYS A 16 8.496 -11.551 -2.576 1.00 0.00 C ATOM 225 NZ LYS A 16 8.965 -12.496 -3.628 1.00 0.00 N ATOM 0 H LYS A 16 5.979 -8.497 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 16 4.721 -10.744 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.800 -9.760 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.471 -11.407 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.743 -11.532 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.068 -9.898 -4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.692 -10.657 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.484 -12.295 -2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.991 -10.589 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.789 -11.928 -1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.977 -12.692 -3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.428 -13.384 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.818 -12.072 -4.566 1.00 0.00 H new ATOM 239 N PHE A 17 2.572 -8.659 -4.691 1.00 0.00 N ATOM 240 CA PHE A 17 1.149 -8.303 -4.662 1.00 0.00 C ATOM 241 C PHE A 17 0.634 -7.898 -6.056 1.00 0.00 C ATOM 242 O PHE A 17 -0.477 -8.261 -6.441 1.00 0.00 O ATOM 243 CB PHE A 17 0.890 -7.171 -3.653 1.00 0.00 C ATOM 244 CG PHE A 17 0.625 -7.648 -2.242 1.00 0.00 C ATOM 245 CD1 PHE A 17 -0.634 -8.116 -1.891 1.00 0.00 C ATOM 246 CD2 PHE A 17 1.617 -7.617 -1.271 1.00 0.00 C ATOM 247 CE1 PHE A 17 -0.900 -8.543 -0.605 1.00 0.00 C ATOM 248 CE2 PHE A 17 1.354 -8.046 0.021 1.00 0.00 C ATOM 249 CZ PHE A 17 0.094 -8.508 0.353 1.00 0.00 C ATOM 0 H PHE A 17 3.184 -7.992 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 17 0.601 -9.191 -4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.752 -6.504 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.036 -6.585 -3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.417 -8.147 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.603 -7.255 -1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.885 -8.904 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.133 -8.019 0.768 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.113 -8.841 1.359 1.00 0.00 H new ATOM 259 N ALA A 18 1.447 -7.164 -6.813 1.00 0.00 N ATOM 260 CA ALA A 18 1.047 -6.677 -8.142 1.00 0.00 C ATOM 261 C ALA A 18 0.842 -7.828 -9.142 1.00 0.00 C ATOM 262 O ALA A 18 -0.219 -7.952 -9.756 1.00 0.00 O ATOM 263 CB ALA A 18 2.082 -5.688 -8.672 1.00 0.00 C ATOM 0 H ALA A 18 2.389 -6.890 -6.533 1.00 0.00 H new ATOM 0 HA ALA A 18 0.088 -6.171 -8.032 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.776 -5.334 -9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.159 -4.842 -7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.051 -6.182 -8.749 1.00 0.00 H new ATOM 269 N ILE A 19 1.854 -8.683 -9.283 1.00 0.00 N ATOM 270 CA ILE A 19 1.810 -9.787 -10.253 1.00 0.00 C ATOM 271 C ILE A 19 0.973 -10.969 -9.739 1.00 0.00 C ATOM 272 O ILE A 19 0.805 -11.968 -10.437 1.00 0.00 O ATOM 273 CB ILE A 19 3.232 -10.286 -10.614 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.927 -10.899 -9.384 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.066 -9.142 -11.193 1.00 0.00 C ATOM 276 CD1 ILE A 19 5.333 -11.398 -9.655 1.00 0.00 C ATOM 0 H ILE A 19 2.716 -8.636 -8.740 1.00 0.00 H new ATOM 0 HA ILE A 19 1.336 -9.387 -11.149 1.00 0.00 H new ATOM 0 HB ILE A 19 3.141 -11.065 -11.371 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.964 -10.152 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.323 -11.728 -9.014 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.062 -9.508 -11.442 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.584 -8.760 -12.093 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.147 -8.342 -10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.754 -11.815 -8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.303 -12.169 -10.425 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.954 -10.569 -9.995 1.00 0.00 H new ATOM 288 N HIS A 20 0.456 -10.848 -8.515 1.00 0.00 N ATOM 289 CA HIS A 20 -0.443 -11.859 -7.951 1.00 0.00 C ATOM 290 C HIS A 20 -1.653 -12.082 -8.871 1.00 0.00 C ATOM 291 O HIS A 20 -2.173 -13.194 -8.980 1.00 0.00 O ATOM 292 CB HIS A 20 -0.913 -11.427 -6.556 1.00 0.00 C ATOM 293 CG HIS A 20 -1.766 -12.445 -5.855 1.00 0.00 C ATOM 294 ND1 HIS A 20 -3.093 -12.671 -6.167 1.00 0.00 N ATOM 295 CD2 HIS A 20 -1.476 -13.303 -4.844 1.00 0.00 C ATOM 296 CE1 HIS A 20 -3.575 -13.613 -5.381 1.00 0.00 C ATOM 297 NE2 HIS A 20 -2.618 -14.012 -4.572 1.00 0.00 N ATOM 0 H HIS A 20 0.644 -10.060 -7.895 1.00 0.00 H new ATOM 0 HA HIS A 20 0.103 -12.798 -7.867 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.040 -11.214 -5.940 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.475 -10.497 -6.645 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.523 -13.408 -4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.586 -13.993 -5.398 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.710 -14.733 -3.857 1.00 0.00 H new ATOM 306 N GLY A 21 -2.093 -11.009 -9.529 1.00 0.00 N ATOM 307 CA GLY A 21 -3.169 -11.111 -10.509 1.00 0.00 C ATOM 308 C GLY A 21 -2.652 -11.540 -11.875 1.00 0.00 C ATOM 309 O GLY A 21 -2.818 -10.821 -12.864 1.00 0.00 O ATOM 0 H GLY A 21 -1.723 -10.067 -9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.912 -11.829 -10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.673 -10.148 -10.597 1.00 0.00 H new ATOM 313 N ASP A 22 -2.033 -12.726 -11.915 1.00 0.00 N ATOM 314 CA ASP A 22 -1.355 -13.239 -13.112 1.00 0.00 C ATOM 315 C ASP A 22 -0.090 -12.419 -13.435 1.00 0.00 C ATOM 316 O ASP A 22 -0.157 -11.204 -13.596 1.00 0.00 O ATOM 317 CB ASP A 22 -2.307 -13.269 -14.314 1.00 0.00 C ATOM 318 CG ASP A 22 -3.487 -14.191 -14.073 1.00 0.00 C ATOM 319 OD1 ASP A 22 -3.310 -15.427 -14.183 1.00 0.00 O ATOM 320 OD2 ASP A 22 -4.590 -13.693 -13.764 1.00 0.00 O ATOM 0 H ASP A 22 -1.988 -13.359 -11.116 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.044 -14.262 -12.901 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.669 -12.261 -14.517 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.764 -13.597 -15.200 1.00 0.00 H new ATOM 325 N PRO A 23 1.082 -13.081 -13.532 1.00 0.00 N ATOM 326 CA PRO A 23 2.371 -12.408 -13.804 1.00 0.00 C ATOM 327 C PRO A 23 2.326 -11.402 -14.973 1.00 0.00 C ATOM 328 O PRO A 23 3.057 -10.409 -14.975 1.00 0.00 O ATOM 329 CB PRO A 23 3.303 -13.577 -14.133 1.00 0.00 C ATOM 330 CG PRO A 23 2.750 -14.722 -13.354 1.00 0.00 C ATOM 331 CD PRO A 23 1.253 -14.540 -13.360 1.00 0.00 C ATOM 0 HA PRO A 23 2.685 -11.799 -12.956 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.311 -13.790 -15.202 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.331 -13.359 -13.844 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.030 -15.674 -13.806 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.139 -14.726 -12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.784 -15.097 -14.171 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.803 -14.890 -12.431 1.00 0.00 H new ATOM 339 N LYS A 24 1.467 -11.659 -15.960 1.00 0.00 N ATOM 340 CA LYS A 24 1.316 -10.760 -17.115 1.00 0.00 C ATOM 341 C LYS A 24 0.528 -9.482 -16.778 1.00 0.00 C ATOM 342 O LYS A 24 0.264 -8.664 -17.662 1.00 0.00 O ATOM 343 CB LYS A 24 0.628 -11.488 -18.278 1.00 0.00 C ATOM 344 CG LYS A 24 1.527 -12.482 -19.005 1.00 0.00 C ATOM 345 CD LYS A 24 0.816 -13.118 -20.200 1.00 0.00 C ATOM 346 CE LYS A 24 0.296 -12.067 -21.177 1.00 0.00 C ATOM 347 NZ LYS A 24 1.376 -11.169 -21.666 1.00 0.00 N ATOM 0 H LYS A 24 0.863 -12.481 -15.987 1.00 0.00 H new ATOM 0 HA LYS A 24 2.323 -10.461 -17.404 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.246 -12.016 -17.897 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.267 -10.749 -18.993 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.429 -11.975 -19.346 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.843 -13.262 -18.312 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.504 -13.787 -20.718 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.015 -13.727 -19.846 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.173 -12.564 -22.026 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.476 -11.472 -20.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.997 -10.539 -22.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.739 -10.599 -20.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.149 -11.740 -22.064 1.00 0.00 H new ATOM 361 N ALA A 25 0.153 -9.317 -15.513 1.00 0.00 N ATOM 362 CA ALA A 25 -0.585 -8.131 -15.071 1.00 0.00 C ATOM 363 C ALA A 25 0.177 -6.835 -15.381 1.00 0.00 C ATOM 364 O ALA A 25 -0.374 -5.910 -15.988 1.00 0.00 O ATOM 365 CB ALA A 25 -0.881 -8.222 -13.577 1.00 0.00 C ATOM 0 H ALA A 25 0.347 -9.990 -14.772 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.523 -8.102 -15.625 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.430 -7.335 -13.260 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.481 -9.110 -13.378 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.056 -8.286 -13.024 1.00 0.00 H new ATOM 371 N SER A 26 1.442 -6.776 -14.959 1.00 0.00 N ATOM 372 CA SER A 26 2.282 -5.589 -15.173 1.00 0.00 C ATOM 373 C SER A 26 3.670 -5.760 -14.544 1.00 0.00 C ATOM 374 O SER A 26 4.670 -5.913 -15.246 1.00 0.00 O ATOM 375 CB SER A 26 1.615 -4.338 -14.578 1.00 0.00 C ATOM 376 OG SER A 26 1.502 -4.444 -13.166 1.00 0.00 O ATOM 0 H SER A 26 1.910 -7.536 -14.466 1.00 0.00 H new ATOM 0 HA SER A 26 2.396 -5.469 -16.250 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.199 -3.454 -14.834 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.626 -4.205 -15.017 1.00 0.00 H new ATOM 0 HG SER A 26 0.556 -4.491 -12.916 1.00 0.00 H new ATOM 382 N GLY A 27 3.719 -5.745 -13.210 1.00 0.00 N ATOM 383 CA GLY A 27 4.990 -5.773 -12.489 1.00 0.00 C ATOM 384 C GLY A 27 5.316 -4.421 -11.854 1.00 0.00 C ATOM 385 O GLY A 27 6.036 -4.340 -10.856 1.00 0.00 O ATOM 0 H GLY A 27 2.895 -5.714 -12.610 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.951 -6.538 -11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.790 -6.054 -13.174 1.00 0.00 H new ATOM 389 N GLN A 28 4.773 -3.358 -12.448 1.00 0.00 N ATOM 390 CA GLN A 28 4.951 -1.988 -11.954 1.00 0.00 C ATOM 391 C GLN A 28 3.605 -1.381 -11.501 1.00 0.00 C ATOM 392 O GLN A 28 3.572 -0.385 -10.777 1.00 0.00 O ATOM 393 CB GLN A 28 5.580 -1.131 -13.071 1.00 0.00 C ATOM 394 CG GLN A 28 5.844 0.323 -12.691 1.00 0.00 C ATOM 395 CD GLN A 28 6.862 0.487 -11.569 1.00 0.00 C ATOM 396 OE1 GLN A 28 6.782 1.422 -10.784 1.00 0.00 O ATOM 397 NE2 GLN A 28 7.838 -0.399 -11.496 1.00 0.00 N ATOM 0 H GLN A 28 4.196 -3.420 -13.287 1.00 0.00 H new ATOM 0 HA GLN A 28 5.611 -2.005 -11.087 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.521 -1.589 -13.374 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.921 -1.151 -13.939 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.196 0.861 -13.571 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.905 0.787 -12.389 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.879 -1.168 -12.164 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.551 -0.314 -10.771 1.00 0.00 H new ATOM 406 N GLU A 29 2.500 -2.008 -11.914 1.00 0.00 N ATOM 407 CA GLU A 29 1.148 -1.498 -11.629 1.00 0.00 C ATOM 408 C GLU A 29 0.386 -2.416 -10.649 1.00 0.00 C ATOM 409 O GLU A 29 0.531 -3.640 -10.689 1.00 0.00 O ATOM 410 CB GLU A 29 0.353 -1.399 -12.939 1.00 0.00 C ATOM 411 CG GLU A 29 1.083 -0.696 -14.084 1.00 0.00 C ATOM 412 CD GLU A 29 1.112 0.821 -13.956 1.00 0.00 C ATOM 413 OE1 GLU A 29 0.073 1.459 -14.223 1.00 0.00 O ATOM 414 OE2 GLU A 29 2.178 1.385 -13.642 1.00 0.00 O ATOM 0 H GLU A 29 2.512 -2.875 -12.451 1.00 0.00 H new ATOM 0 HA GLU A 29 1.253 -0.516 -11.168 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.086 -2.405 -13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.579 -0.869 -12.742 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.107 -1.067 -14.131 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.604 -0.963 -15.026 1.00 0.00 H new ATOM 421 N MET A 30 -0.448 -1.821 -9.793 1.00 0.00 N ATOM 422 CA MET A 30 -1.265 -2.584 -8.835 1.00 0.00 C ATOM 423 C MET A 30 -2.724 -2.084 -8.826 1.00 0.00 C ATOM 424 O MET A 30 -2.973 -0.875 -8.808 1.00 0.00 O ATOM 425 CB MET A 30 -0.660 -2.478 -7.427 1.00 0.00 C ATOM 426 CG MET A 30 -1.430 -3.249 -6.363 1.00 0.00 C ATOM 427 SD MET A 30 -0.674 -3.133 -4.729 1.00 0.00 S ATOM 428 CE MET A 30 0.904 -3.925 -5.026 1.00 0.00 C ATOM 0 H MET A 30 -0.578 -0.811 -9.741 1.00 0.00 H new ATOM 0 HA MET A 30 -1.268 -3.629 -9.146 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.366 -2.844 -7.455 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.616 -1.427 -7.140 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.451 -2.870 -6.314 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.493 -4.297 -6.655 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.480 -3.946 -4.101 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.739 -4.945 -5.375 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.454 -3.367 -5.783 1.00 0.00 H new ATOM 438 N ASN A 31 -3.686 -3.014 -8.836 1.00 0.00 N ATOM 439 CA ASN A 31 -5.113 -2.654 -8.864 1.00 0.00 C ATOM 440 C ASN A 31 -5.730 -2.600 -7.452 1.00 0.00 C ATOM 441 O ASN A 31 -5.125 -3.046 -6.473 1.00 0.00 O ATOM 442 CB ASN A 31 -5.903 -3.631 -9.759 1.00 0.00 C ATOM 443 CG ASN A 31 -5.834 -5.080 -9.296 1.00 0.00 C ATOM 444 OD1 ASN A 31 -5.684 -5.365 -8.117 1.00 0.00 O ATOM 445 ND2 ASN A 31 -5.973 -6.011 -10.223 1.00 0.00 N ATOM 0 H ASN A 31 -3.506 -4.018 -8.825 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.181 -1.651 -9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.947 -3.318 -9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.521 -3.566 -10.778 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.957 -6.997 -9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.097 -5.744 -11.200 1.00 0.00 H new ATOM 452 N GLY A 32 -6.950 -2.060 -7.365 1.00 0.00 N ATOM 453 CA GLY A 32 -7.641 -1.929 -6.082 1.00 0.00 C ATOM 454 C GLY A 32 -7.949 -3.266 -5.409 1.00 0.00 C ATOM 455 O GLY A 32 -8.038 -3.342 -4.186 1.00 0.00 O ATOM 0 H GLY A 32 -7.476 -1.708 -8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.029 -1.327 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.574 -1.387 -6.236 1.00 0.00 H new ATOM 459 N LYS A 33 -8.106 -4.322 -6.207 1.00 0.00 N ATOM 460 CA LYS A 33 -8.376 -5.668 -5.680 1.00 0.00 C ATOM 461 C LYS A 33 -7.206 -6.172 -4.813 1.00 0.00 C ATOM 462 O LYS A 33 -7.372 -6.491 -3.628 1.00 0.00 O ATOM 463 CB LYS A 33 -8.624 -6.632 -6.851 1.00 0.00 C ATOM 464 CG LYS A 33 -8.884 -8.078 -6.434 1.00 0.00 C ATOM 465 CD LYS A 33 -9.070 -8.986 -7.649 1.00 0.00 C ATOM 466 CE LYS A 33 -9.348 -10.430 -7.249 1.00 0.00 C ATOM 467 NZ LYS A 33 -10.560 -10.550 -6.395 1.00 0.00 N ATOM 0 H LYS A 33 -8.051 -4.275 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.263 -5.624 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.478 -6.274 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.760 -6.608 -7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.050 -8.440 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.774 -8.122 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.895 -8.613 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.175 -8.948 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.475 -11.036 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.487 -10.830 -6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.840 -11.549 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.352 -10.184 -5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.337 -10.001 -6.815 1.00 0.00 H new ATOM 481 N ASN A 34 -6.026 -6.245 -5.424 1.00 0.00 N ATOM 482 CA ASN A 34 -4.804 -6.666 -4.733 1.00 0.00 C ATOM 483 C ASN A 34 -4.424 -5.673 -3.623 1.00 0.00 C ATOM 484 O ASN A 34 -3.934 -6.066 -2.563 1.00 0.00 O ATOM 485 CB ASN A 34 -3.660 -6.801 -5.753 1.00 0.00 C ATOM 486 CG ASN A 34 -3.990 -7.784 -6.872 1.00 0.00 C ATOM 487 OD1 ASN A 34 -5.148 -8.058 -7.160 1.00 0.00 O ATOM 488 ND2 ASN A 34 -2.975 -8.309 -7.525 1.00 0.00 N ATOM 0 H ASN A 34 -5.887 -6.016 -6.408 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.983 -7.632 -4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.444 -5.823 -6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.756 -7.129 -5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.144 -8.961 -8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.020 -8.064 -7.265 1.00 0.00 H new ATOM 495 N TRP A 35 -4.668 -4.389 -3.875 1.00 0.00 N ATOM 496 CA TRP A 35 -4.443 -3.331 -2.880 1.00 0.00 C ATOM 497 C TRP A 35 -5.333 -3.523 -1.635 1.00 0.00 C ATOM 498 O TRP A 35 -4.875 -3.370 -0.496 1.00 0.00 O ATOM 499 CB TRP A 35 -4.703 -1.964 -3.529 1.00 0.00 C ATOM 500 CG TRP A 35 -4.759 -0.814 -2.563 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.834 -0.006 -2.319 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.704 -0.342 -1.717 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.512 0.937 -1.376 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.211 0.753 -0.990 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.379 -0.736 -1.505 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.443 1.450 -0.064 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.619 -0.042 -0.584 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.151 1.042 0.125 1.00 0.00 C ATOM 0 H TRP A 35 -5.025 -4.049 -4.768 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.408 -3.384 -2.543 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.919 -1.769 -4.261 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.645 -2.009 -4.075 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.797 -0.097 -2.799 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.140 1.658 -1.020 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.958 -1.567 -2.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.852 2.284 0.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.596 -0.341 -0.408 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.529 1.566 0.835 1.00 0.00 H new ATOM 519 N ALA A 36 -6.600 -3.867 -1.857 1.00 0.00 N ATOM 520 CA ALA A 36 -7.532 -4.135 -0.756 1.00 0.00 C ATOM 521 C ALA A 36 -7.017 -5.265 0.149 1.00 0.00 C ATOM 522 O ALA A 36 -7.044 -5.160 1.382 1.00 0.00 O ATOM 523 CB ALA A 36 -8.912 -4.482 -1.303 1.00 0.00 C ATOM 0 H ALA A 36 -7.007 -3.967 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.608 -3.230 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.593 -4.678 -0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.290 -3.647 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.841 -5.369 -1.933 1.00 0.00 H new ATOM 529 N LYS A 37 -6.548 -6.352 -0.467 1.00 0.00 N ATOM 530 CA LYS A 37 -5.939 -7.448 0.288 1.00 0.00 C ATOM 531 C LYS A 37 -4.647 -6.998 0.978 1.00 0.00 C ATOM 532 O LYS A 37 -4.442 -7.282 2.146 1.00 0.00 O ATOM 533 CB LYS A 37 -5.664 -8.663 -0.611 1.00 0.00 C ATOM 534 CG LYS A 37 -6.813 -9.668 -0.650 1.00 0.00 C ATOM 535 CD LYS A 37 -6.430 -10.948 -1.390 1.00 0.00 C ATOM 536 CE LYS A 37 -5.195 -11.611 -0.782 1.00 0.00 C ATOM 537 NZ LYS A 37 -5.367 -11.898 0.668 1.00 0.00 N ATOM 0 H LYS A 37 -6.578 -6.496 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.654 -7.745 1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.461 -8.316 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.763 -9.167 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.114 -9.914 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.676 -9.213 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.267 -11.646 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.239 -10.718 -2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.986 -12.540 -1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.330 -10.962 -0.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.467 -12.237 1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.658 -11.030 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.097 -12.628 0.793 1.00 0.00 H new ATOM 551 N LEU A 38 -3.793 -6.274 0.259 1.00 0.00 N ATOM 552 CA LEU A 38 -2.523 -5.789 0.815 1.00 0.00 C ATOM 553 C LEU A 38 -2.726 -5.174 2.212 1.00 0.00 C ATOM 554 O LEU A 38 -1.970 -5.447 3.143 1.00 0.00 O ATOM 555 CB LEU A 38 -1.891 -4.777 -0.160 1.00 0.00 C ATOM 556 CG LEU A 38 -0.425 -4.379 0.117 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.245 -3.897 -1.166 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.329 -3.302 1.200 1.00 0.00 C ATOM 0 H LEU A 38 -3.954 -6.007 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.842 -6.632 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.948 -5.191 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.498 -3.872 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 38 0.095 -5.265 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.278 -3.620 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.228 -4.696 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.291 -3.031 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.717 -3.047 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.872 -2.413 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.764 -3.677 2.126 1.00 0.00 H new ATOM 570 N CYS A 39 -3.775 -4.371 2.356 1.00 0.00 N ATOM 571 CA CYS A 39 -4.125 -3.782 3.653 1.00 0.00 C ATOM 572 C CYS A 39 -4.620 -4.852 4.647 1.00 0.00 C ATOM 573 O CYS A 39 -4.191 -4.891 5.806 1.00 0.00 O ATOM 574 CB CYS A 39 -5.199 -2.703 3.466 1.00 0.00 C ATOM 575 SG CYS A 39 -4.699 -1.356 2.368 1.00 0.00 S ATOM 0 H CYS A 39 -4.400 -4.110 1.593 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.224 -3.331 4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.101 -3.167 3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.457 -2.288 4.440 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.677 -1.782 1.140 1.00 0.00 H new ATOM 581 N LYS A 40 -5.515 -5.726 4.186 1.00 0.00 N ATOM 582 CA LYS A 40 -6.112 -6.754 5.053 1.00 0.00 C ATOM 583 C LYS A 40 -5.067 -7.779 5.529 1.00 0.00 C ATOM 584 O LYS A 40 -4.945 -8.046 6.726 1.00 0.00 O ATOM 585 CB LYS A 40 -7.247 -7.478 4.319 1.00 0.00 C ATOM 586 CG LYS A 40 -7.955 -8.525 5.173 1.00 0.00 C ATOM 587 CD LYS A 40 -9.080 -9.209 4.403 1.00 0.00 C ATOM 588 CE LYS A 40 -9.794 -10.257 5.245 1.00 0.00 C ATOM 589 NZ LYS A 40 -10.860 -10.945 4.472 1.00 0.00 N ATOM 0 H LYS A 40 -5.845 -5.747 3.221 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.511 -6.246 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.977 -6.743 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.844 -7.960 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.234 -9.272 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.360 -8.052 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.799 -8.460 4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.673 -9.679 3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.072 -10.991 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.230 -9.783 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.326 -11.652 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.562 -10.247 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.440 -11.418 3.646 1.00 0.00 H new ATOM 603 N ASP A 41 -4.335 -8.362 4.584 1.00 0.00 N ATOM 604 CA ASP A 41 -3.257 -9.305 4.881 1.00 0.00 C ATOM 605 C ASP A 41 -2.220 -8.685 5.841 1.00 0.00 C ATOM 606 O ASP A 41 -1.707 -9.356 6.739 1.00 0.00 O ATOM 607 CB ASP A 41 -2.586 -9.743 3.569 1.00 0.00 C ATOM 608 CG ASP A 41 -3.555 -10.428 2.606 1.00 0.00 C ATOM 609 OD1 ASP A 41 -4.748 -10.050 2.558 1.00 0.00 O ATOM 610 OD2 ASP A 41 -3.128 -11.344 1.878 1.00 0.00 O ATOM 0 H ASP A 41 -4.472 -8.194 3.587 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.682 -10.177 5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.151 -8.871 3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.765 -10.423 3.796 1.00 0.00 H new ATOM 615 N CYS A 42 -1.928 -7.396 5.655 1.00 0.00 N ATOM 616 CA CYS A 42 -1.027 -6.663 6.561 1.00 0.00 C ATOM 617 C CYS A 42 -1.770 -6.089 7.781 1.00 0.00 C ATOM 618 O CYS A 42 -1.149 -5.520 8.677 1.00 0.00 O ATOM 619 CB CYS A 42 -0.319 -5.532 5.807 1.00 0.00 C ATOM 620 SG CYS A 42 0.785 -6.099 4.493 1.00 0.00 S ATOM 0 H CYS A 42 -2.299 -6.835 4.888 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.290 -7.378 6.928 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.071 -4.871 5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.255 -4.939 6.519 1.00 0.00 H new ATOM 0 HG CYS A 42 0.151 -6.087 3.358 1.00 0.00 H new ATOM 626 N LYS A 43 -3.098 -6.251 7.809 1.00 0.00 N ATOM 627 CA LYS A 43 -3.941 -5.785 8.919 1.00 0.00 C ATOM 628 C LYS A 43 -3.736 -4.303 9.270 1.00 0.00 C ATOM 629 O LYS A 43 -3.721 -3.923 10.443 1.00 0.00 O ATOM 630 CB LYS A 43 -3.706 -6.689 10.124 1.00 0.00 C ATOM 631 CG LYS A 43 -4.285 -8.084 9.918 1.00 0.00 C ATOM 632 CD LYS A 43 -3.591 -9.115 10.786 1.00 0.00 C ATOM 633 CE LYS A 43 -2.252 -9.554 10.206 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.420 -10.338 8.954 1.00 0.00 N ATOM 0 H LYS A 43 -3.620 -6.709 7.062 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.981 -5.851 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.636 -6.766 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.156 -6.237 11.008 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.350 -8.073 10.148 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.188 -8.367 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.435 -8.702 11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.238 -9.985 10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.638 -8.676 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.717 -10.155 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.011 -11.286 9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.432 -10.424 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.934 -9.853 8.173 1.00 0.00 H new ATOM 648 N VAL A 44 -3.608 -3.470 8.241 1.00 0.00 N ATOM 649 CA VAL A 44 -3.599 -2.014 8.419 1.00 0.00 C ATOM 650 C VAL A 44 -5.033 -1.491 8.619 1.00 0.00 C ATOM 651 O VAL A 44 -5.272 -0.553 9.381 1.00 0.00 O ATOM 652 CB VAL A 44 -2.952 -1.297 7.202 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.905 0.218 7.414 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.551 -1.849 6.930 1.00 0.00 C ATOM 0 H VAL A 44 -3.509 -3.775 7.273 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.003 -1.795 9.305 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.574 -1.494 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.447 0.693 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.918 0.599 7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.316 0.443 8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.116 -1.333 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.922 -1.692 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.615 -2.916 6.716 1.00 0.00 H new ATOM 664 N ALA A 45 -5.985 -2.120 7.929 1.00 0.00 N ATOM 665 CA ALA A 45 -7.400 -1.752 8.033 1.00 0.00 C ATOM 666 C ALA A 45 -8.180 -2.741 8.917 1.00 0.00 C ATOM 667 O ALA A 45 -8.869 -3.634 8.417 1.00 0.00 O ATOM 668 CB ALA A 45 -8.023 -1.666 6.642 1.00 0.00 C ATOM 0 H ALA A 45 -5.801 -2.892 7.288 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.459 -0.773 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.074 -1.392 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.500 -0.911 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.941 -2.633 6.146 1.00 0.00 H new ATOM 674 N ASP A 46 -8.050 -2.580 10.233 1.00 0.00 N ATOM 675 CA ASP A 46 -8.728 -3.444 11.212 1.00 0.00 C ATOM 676 C ASP A 46 -10.258 -3.393 11.082 1.00 0.00 C ATOM 677 O ASP A 46 -10.955 -4.345 11.438 1.00 0.00 O ATOM 678 CB ASP A 46 -8.340 -3.017 12.629 1.00 0.00 C ATOM 679 CG ASP A 46 -6.851 -3.133 12.876 1.00 0.00 C ATOM 680 OD1 ASP A 46 -6.100 -2.254 12.414 1.00 0.00 O ATOM 681 OD2 ASP A 46 -6.429 -4.099 13.545 1.00 0.00 O ATOM 0 H ASP A 46 -7.475 -1.851 10.655 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.408 -4.467 11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.654 -1.987 12.795 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.875 -3.633 13.351 1.00 0.00 H new ATOM 686 N GLY A 47 -10.774 -2.275 10.584 1.00 0.00 N ATOM 687 CA GLY A 47 -12.215 -2.053 10.561 1.00 0.00 C ATOM 688 C GLY A 47 -12.667 -1.125 11.682 1.00 0.00 C ATOM 689 O GLY A 47 -13.660 -0.407 11.552 1.00 0.00 O ATOM 0 H GLY A 47 -10.220 -1.513 10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.501 -1.626 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.731 -3.009 10.651 1.00 0.00 H new ATOM 693 N LYS A 48 -11.929 -1.146 12.794 1.00 0.00 N ATOM 694 CA LYS A 48 -12.195 -0.253 13.928 1.00 0.00 C ATOM 695 C LYS A 48 -11.749 1.187 13.610 1.00 0.00 C ATOM 696 O LYS A 48 -12.567 2.108 13.563 1.00 0.00 O ATOM 697 CB LYS A 48 -11.474 -0.773 15.184 1.00 0.00 C ATOM 698 CG LYS A 48 -11.823 -2.218 15.541 1.00 0.00 C ATOM 699 CD LYS A 48 -11.096 -2.686 16.801 1.00 0.00 C ATOM 700 CE LYS A 48 -11.388 -4.151 17.115 1.00 0.00 C ATOM 701 NZ LYS A 48 -10.682 -4.616 18.337 1.00 0.00 N ATOM 0 H LYS A 48 -11.138 -1.775 12.935 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.269 -0.240 14.114 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.397 -0.696 15.032 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.724 -0.130 16.028 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.899 -2.305 15.690 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.562 -2.871 14.708 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.022 -2.549 16.673 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.398 -2.066 17.646 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.462 -4.286 17.245 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.089 -4.769 16.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.910 -5.616 18.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.656 -4.513 18.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.985 -4.045 19.152 1.00 0.00 H new ATOM 715 N SER A 49 -10.451 1.368 13.362 1.00 0.00 N ATOM 716 CA SER A 49 -9.898 2.690 13.037 1.00 0.00 C ATOM 717 C SER A 49 -9.927 2.927 11.521 1.00 0.00 C ATOM 718 O SER A 49 -10.754 3.686 11.011 1.00 0.00 O ATOM 719 CB SER A 49 -8.459 2.812 13.568 1.00 0.00 C ATOM 720 OG SER A 49 -7.623 1.789 13.039 1.00 0.00 O ATOM 0 H SER A 49 -9.760 0.618 13.379 1.00 0.00 H new ATOM 0 HA SER A 49 -10.514 3.450 13.518 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.053 3.789 13.304 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.465 2.753 14.656 1.00 0.00 H new ATOM 0 HG SER A 49 -6.763 1.793 13.509 1.00 0.00 H new ATOM 726 N VAL A 50 -9.026 2.260 10.809 1.00 0.00 N ATOM 727 CA VAL A 50 -9.004 2.293 9.346 1.00 0.00 C ATOM 728 C VAL A 50 -9.888 1.176 8.773 1.00 0.00 C ATOM 729 O VAL A 50 -9.843 0.036 9.243 1.00 0.00 O ATOM 730 CB VAL A 50 -7.560 2.136 8.812 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.538 2.116 7.283 1.00 0.00 C ATOM 732 CG2 VAL A 50 -6.665 3.253 9.351 1.00 0.00 C ATOM 0 H VAL A 50 -8.293 1.684 11.223 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.393 3.260 9.026 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.171 1.181 9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.511 2.005 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.136 1.280 6.921 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.951 3.049 6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.653 3.127 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.057 4.219 9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.646 3.210 10.440 1.00 0.00 H new ATOM 742 N THR A 51 -10.695 1.505 7.769 1.00 0.00 N ATOM 743 CA THR A 51 -11.629 0.535 7.171 1.00 0.00 C ATOM 744 C THR A 51 -11.410 0.401 5.660 1.00 0.00 C ATOM 745 O THR A 51 -10.622 1.142 5.066 1.00 0.00 O ATOM 746 CB THR A 51 -13.105 0.941 7.414 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.420 2.145 6.695 1.00 0.00 O ATOM 748 CG2 THR A 51 -13.375 1.154 8.896 1.00 0.00 C ATOM 0 H THR A 51 -10.727 2.433 7.347 1.00 0.00 H new ATOM 0 HA THR A 51 -11.428 -0.420 7.656 1.00 0.00 H new ATOM 0 HB THR A 51 -13.736 0.128 7.054 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.659 2.761 6.740 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.418 1.438 9.039 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.173 0.231 9.439 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.728 1.946 9.274 1.00 0.00 H new ATOM 756 N GLY A 52 -12.114 -0.551 5.040 1.00 0.00 N ATOM 757 CA GLY A 52 -12.034 -0.731 3.594 1.00 0.00 C ATOM 758 C GLY A 52 -12.348 0.547 2.822 1.00 0.00 C ATOM 759 O GLY A 52 -11.764 0.808 1.770 1.00 0.00 O ATOM 0 H GLY A 52 -12.739 -1.202 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.034 -1.073 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.729 -1.514 3.291 1.00 0.00 H new ATOM 763 N THR A 53 -13.267 1.351 3.363 1.00 0.00 N ATOM 764 CA THR A 53 -13.618 2.649 2.777 1.00 0.00 C ATOM 765 C THR A 53 -12.369 3.517 2.568 1.00 0.00 C ATOM 766 O THR A 53 -12.072 3.928 1.446 1.00 0.00 O ATOM 767 CB THR A 53 -14.626 3.419 3.669 1.00 0.00 C ATOM 768 OG1 THR A 53 -15.813 2.633 3.862 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.002 4.760 3.049 1.00 0.00 C ATOM 0 H THR A 53 -13.785 1.124 4.212 1.00 0.00 H new ATOM 0 HA THR A 53 -14.082 2.445 1.812 1.00 0.00 H new ATOM 0 HB THR A 53 -14.147 3.605 4.630 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.443 3.126 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.710 5.275 3.698 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.107 5.370 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.459 4.594 2.073 1.00 0.00 H new ATOM 777 N ASP A 54 -11.635 3.770 3.655 1.00 0.00 N ATOM 778 CA ASP A 54 -10.404 4.570 3.605 1.00 0.00 C ATOM 779 C ASP A 54 -9.436 4.037 2.536 1.00 0.00 C ATOM 780 O ASP A 54 -8.843 4.808 1.779 1.00 0.00 O ATOM 781 CB ASP A 54 -9.712 4.558 4.972 1.00 0.00 C ATOM 782 CG ASP A 54 -10.639 4.970 6.099 1.00 0.00 C ATOM 783 OD1 ASP A 54 -11.375 4.103 6.613 1.00 0.00 O ATOM 784 OD2 ASP A 54 -10.639 6.161 6.475 1.00 0.00 O ATOM 0 H ASP A 54 -11.872 3.431 4.587 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.680 5.591 3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.326 3.558 5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.855 5.231 4.947 1.00 0.00 H new ATOM 789 N VAL A 55 -9.302 2.713 2.483 1.00 0.00 N ATOM 790 CA VAL A 55 -8.414 2.046 1.526 1.00 0.00 C ATOM 791 C VAL A 55 -8.739 2.439 0.072 1.00 0.00 C ATOM 792 O VAL A 55 -7.835 2.730 -0.720 1.00 0.00 O ATOM 793 CB VAL A 55 -8.509 0.506 1.680 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.608 -0.214 0.678 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.166 0.088 3.110 1.00 0.00 C ATOM 0 H VAL A 55 -9.803 2.072 3.099 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.398 2.374 1.748 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.538 0.214 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.700 -1.291 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.908 0.050 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.572 0.085 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.238 -0.996 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.151 0.405 3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.864 0.556 3.803 1.00 0.00 H new ATOM 805 N ASP A 56 -10.030 2.469 -0.271 1.00 0.00 N ATOM 806 CA ASP A 56 -10.454 2.816 -1.630 1.00 0.00 C ATOM 807 C ASP A 56 -10.291 4.318 -1.893 1.00 0.00 C ATOM 808 O ASP A 56 -9.999 4.740 -3.017 1.00 0.00 O ATOM 809 CB ASP A 56 -11.911 2.399 -1.861 1.00 0.00 C ATOM 810 CG ASP A 56 -12.084 0.891 -1.865 1.00 0.00 C ATOM 811 OD1 ASP A 56 -11.649 0.245 -2.839 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.667 0.346 -0.904 1.00 0.00 O ATOM 0 H ASP A 56 -10.795 2.259 0.369 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.815 2.274 -2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.539 2.833 -1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.257 2.805 -2.812 1.00 0.00 H new ATOM 817 N ILE A 57 -10.488 5.122 -0.851 1.00 0.00 N ATOM 818 CA ILE A 57 -10.315 6.571 -0.959 1.00 0.00 C ATOM 819 C ILE A 57 -8.854 6.919 -1.265 1.00 0.00 C ATOM 820 O ILE A 57 -8.567 7.677 -2.188 1.00 0.00 O ATOM 821 CB ILE A 57 -10.758 7.307 0.333 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.163 6.841 0.756 1.00 0.00 C ATOM 823 CG2 ILE A 57 -10.718 8.825 0.130 1.00 0.00 C ATOM 824 CD1 ILE A 57 -12.811 7.693 1.828 1.00 0.00 C ATOM 0 H ILE A 57 -10.767 4.798 0.075 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.952 6.906 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.061 7.059 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.809 6.831 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.099 5.814 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.032 9.323 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.702 9.132 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.391 9.101 -0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.797 7.293 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.191 7.684 2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.912 8.717 1.467 1.00 0.00 H new ATOM 836 N VAL A 58 -7.931 6.340 -0.497 1.00 0.00 N ATOM 837 CA VAL A 58 -6.497 6.572 -0.702 1.00 0.00 C ATOM 838 C VAL A 58 -6.047 6.114 -2.103 1.00 0.00 C ATOM 839 O VAL A 58 -5.302 6.817 -2.787 1.00 0.00 O ATOM 840 CB VAL A 58 -5.653 5.844 0.375 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.159 6.047 0.133 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.042 6.321 1.777 1.00 0.00 C ATOM 0 H VAL A 58 -8.148 5.707 0.273 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.333 7.646 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.863 4.777 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.591 5.525 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.892 5.650 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.926 7.111 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.439 5.799 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.868 7.394 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.097 6.110 1.953 1.00 0.00 H new ATOM 852 N PHE A 59 -6.523 4.941 -2.525 1.00 0.00 N ATOM 853 CA PHE A 59 -6.205 4.409 -3.857 1.00 0.00 C ATOM 854 C PHE A 59 -6.644 5.383 -4.967 1.00 0.00 C ATOM 855 O PHE A 59 -5.988 5.508 -6.001 1.00 0.00 O ATOM 856 CB PHE A 59 -6.886 3.044 -4.048 1.00 0.00 C ATOM 857 CG PHE A 59 -6.481 2.327 -5.313 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.277 1.642 -5.381 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.303 2.335 -6.430 1.00 0.00 C ATOM 860 CE1 PHE A 59 -4.903 0.981 -6.534 1.00 0.00 C ATOM 861 CE2 PHE A 59 -6.931 1.677 -7.585 1.00 0.00 C ATOM 862 CZ PHE A 59 -5.731 0.999 -7.638 1.00 0.00 C ATOM 0 H PHE A 59 -7.129 4.340 -1.967 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.124 4.287 -3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.652 2.410 -3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.967 3.186 -4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.624 1.625 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.245 2.862 -6.396 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.963 0.450 -6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.580 1.693 -8.448 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.440 0.483 -8.541 1.00 0.00 H new ATOM 872 N SER A 60 -7.763 6.069 -4.739 1.00 0.00 N ATOM 873 CA SER A 60 -8.270 7.075 -5.690 1.00 0.00 C ATOM 874 C SER A 60 -7.667 8.468 -5.423 1.00 0.00 C ATOM 875 O SER A 60 -7.627 9.319 -6.309 1.00 0.00 O ATOM 876 CB SER A 60 -9.804 7.150 -5.612 1.00 0.00 C ATOM 877 OG SER A 60 -10.320 8.169 -6.455 1.00 0.00 O ATOM 0 H SER A 60 -8.340 5.951 -3.906 1.00 0.00 H new ATOM 0 HA SER A 60 -7.968 6.764 -6.690 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.231 6.189 -5.898 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.108 7.340 -4.583 1.00 0.00 H new ATOM 0 HG SER A 60 -11.297 8.189 -6.383 1.00 0.00 H new ATOM 883 N LYS A 61 -7.188 8.683 -4.202 1.00 0.00 N ATOM 884 CA LYS A 61 -6.647 9.984 -3.780 1.00 0.00 C ATOM 885 C LYS A 61 -5.334 10.323 -4.504 1.00 0.00 C ATOM 886 O LYS A 61 -5.114 11.467 -4.904 1.00 0.00 O ATOM 887 CB LYS A 61 -6.438 9.975 -2.258 1.00 0.00 C ATOM 888 CG LYS A 61 -6.086 11.333 -1.649 1.00 0.00 C ATOM 889 CD LYS A 61 -6.137 11.280 -0.121 1.00 0.00 C ATOM 890 CE LYS A 61 -5.878 12.642 0.518 1.00 0.00 C ATOM 891 NZ LYS A 61 -4.462 13.077 0.378 1.00 0.00 N ATOM 0 H LYS A 61 -7.161 7.968 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.366 10.758 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.347 9.605 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.643 9.269 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.089 11.633 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.781 12.090 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.114 10.914 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.397 10.566 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.530 13.385 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.139 12.599 1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.422 14.115 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.916 12.753 1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.057 12.667 -0.488 1.00 0.00 H new ATOM 905 N VAL A 62 -4.466 9.329 -4.662 1.00 0.00 N ATOM 906 CA VAL A 62 -3.200 9.515 -5.387 1.00 0.00 C ATOM 907 C VAL A 62 -3.399 9.400 -6.913 1.00 0.00 C ATOM 908 O VAL A 62 -2.601 9.912 -7.703 1.00 0.00 O ATOM 909 CB VAL A 62 -2.135 8.484 -4.932 1.00 0.00 C ATOM 910 CG1 VAL A 62 -1.821 8.650 -3.445 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.594 7.055 -5.234 1.00 0.00 C ATOM 0 H VAL A 62 -4.609 8.386 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.849 10.520 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.221 8.671 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.072 7.917 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.438 9.654 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.729 8.498 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.830 6.350 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.525 6.853 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.754 6.943 -6.306 1.00 0.00 H new ATOM 921 N LYS A 63 -4.490 8.744 -7.305 1.00 0.00 N ATOM 922 CA LYS A 63 -4.795 8.454 -8.712 1.00 0.00 C ATOM 923 C LYS A 63 -5.268 9.699 -9.494 1.00 0.00 C ATOM 924 O LYS A 63 -5.764 10.665 -8.913 1.00 0.00 O ATOM 925 CB LYS A 63 -5.875 7.361 -8.756 1.00 0.00 C ATOM 926 CG LYS A 63 -6.430 7.063 -10.145 1.00 0.00 C ATOM 927 CD LYS A 63 -7.558 6.035 -10.098 1.00 0.00 C ATOM 928 CE LYS A 63 -7.054 4.648 -9.722 1.00 0.00 C ATOM 929 NZ LYS A 63 -8.137 3.631 -9.790 1.00 0.00 N ATOM 0 H LYS A 63 -5.194 8.395 -6.654 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.878 8.119 -9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.459 6.442 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.699 7.658 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.798 7.985 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.629 6.694 -10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.310 6.355 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.048 5.991 -11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.243 4.362 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.641 4.672 -8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.790 2.787 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.429 3.369 -8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.951 4.025 -10.303 1.00 0.00 H new ATOM 943 N GLY A 64 -5.108 9.667 -10.822 1.00 0.00 N ATOM 944 CA GLY A 64 -5.610 10.742 -11.680 1.00 0.00 C ATOM 945 C GLY A 64 -7.032 10.488 -12.197 1.00 0.00 C ATOM 946 O GLY A 64 -7.945 10.210 -11.415 1.00 0.00 O ATOM 0 H GLY A 64 -4.638 8.913 -11.322 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.595 11.679 -11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.938 10.864 -12.529 1.00 0.00 H new ATOM 950 N LYS A 65 -7.225 10.589 -13.515 1.00 0.00 N ATOM 951 CA LYS A 65 -8.549 10.384 -14.132 1.00 0.00 C ATOM 952 C LYS A 65 -8.705 8.987 -14.761 1.00 0.00 C ATOM 953 O LYS A 65 -9.342 8.106 -14.185 1.00 0.00 O ATOM 954 CB LYS A 65 -8.819 11.448 -15.204 1.00 0.00 C ATOM 955 CG LYS A 65 -9.100 12.841 -14.655 1.00 0.00 C ATOM 956 CD LYS A 65 -9.474 13.805 -15.776 1.00 0.00 C ATOM 957 CE LYS A 65 -9.924 15.159 -15.247 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.328 16.067 -16.353 1.00 0.00 N ATOM 0 H LYS A 65 -6.484 10.811 -14.180 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.276 10.472 -13.325 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.958 11.501 -15.870 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.670 11.130 -15.807 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.910 12.792 -13.927 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.221 13.213 -14.129 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.617 13.942 -16.436 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.272 13.368 -16.376 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.761 15.024 -14.561 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.115 15.616 -14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.629 16.981 -15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.522 16.215 -16.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.116 15.641 -16.881 1.00 0.00 H new ATOM 972 N SER A 66 -8.124 8.791 -15.947 1.00 0.00 N ATOM 973 CA SER A 66 -8.327 7.551 -16.721 1.00 0.00 C ATOM 974 C SER A 66 -7.511 6.374 -16.172 1.00 0.00 C ATOM 975 O SER A 66 -7.636 5.243 -16.654 1.00 0.00 O ATOM 976 CB SER A 66 -7.970 7.783 -18.196 1.00 0.00 C ATOM 977 OG SER A 66 -6.611 8.169 -18.343 1.00 0.00 O ATOM 0 H SER A 66 -7.510 9.470 -16.397 1.00 0.00 H new ATOM 0 HA SER A 66 -9.381 7.289 -16.629 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.155 6.872 -18.765 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.617 8.555 -18.612 1.00 0.00 H new ATOM 0 HG SER A 66 -6.411 8.308 -19.292 1.00 0.00 H new ATOM 983 N ALA A 67 -6.677 6.638 -15.171 1.00 0.00 N ATOM 984 CA ALA A 67 -5.865 5.592 -14.548 1.00 0.00 C ATOM 985 C ALA A 67 -6.733 4.604 -13.752 1.00 0.00 C ATOM 986 O ALA A 67 -7.455 4.989 -12.836 1.00 0.00 O ATOM 987 CB ALA A 67 -4.806 6.220 -13.645 1.00 0.00 C ATOM 0 H ALA A 67 -6.544 7.567 -14.772 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.371 5.031 -15.341 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.207 5.434 -13.186 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.161 6.869 -14.238 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.293 6.806 -12.866 1.00 0.00 H new ATOM 993 N ARG A 68 -6.673 3.331 -14.119 1.00 0.00 N ATOM 994 CA ARG A 68 -7.419 2.288 -13.412 1.00 0.00 C ATOM 995 C ARG A 68 -6.629 1.778 -12.196 1.00 0.00 C ATOM 996 O ARG A 68 -7.205 1.411 -11.167 1.00 0.00 O ATOM 997 CB ARG A 68 -7.724 1.125 -14.366 1.00 0.00 C ATOM 998 CG ARG A 68 -8.491 1.547 -15.617 1.00 0.00 C ATOM 999 CD ARG A 68 -8.690 0.384 -16.584 1.00 0.00 C ATOM 1000 NE ARG A 68 -9.337 0.807 -17.827 1.00 0.00 N ATOM 1001 CZ ARG A 68 -8.971 0.412 -19.020 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -7.951 -0.376 -19.170 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -9.622 0.822 -20.061 1.00 0.00 N ATOM 0 H ARG A 68 -6.116 2.991 -14.903 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.356 2.717 -13.056 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.787 0.656 -14.665 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.302 0.370 -13.833 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.462 1.949 -15.329 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.951 2.349 -16.120 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.724 -0.066 -16.813 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.294 -0.386 -16.105 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.125 1.452 -17.759 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.427 -0.693 -18.354 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.673 -0.679 -20.104 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.417 1.451 -19.950 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.340 0.516 -20.992 1.00 0.00 H new ATOM 1017 N VAL A 69 -5.303 1.784 -12.324 1.00 0.00 N ATOM 1018 CA VAL A 69 -4.399 1.262 -11.290 1.00 0.00 C ATOM 1019 C VAL A 69 -3.321 2.295 -10.900 1.00 0.00 C ATOM 1020 O VAL A 69 -3.190 3.339 -11.542 1.00 0.00 O ATOM 1021 CB VAL A 69 -3.704 -0.035 -11.783 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -4.733 -1.110 -12.129 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.807 0.259 -12.984 1.00 0.00 C ATOM 0 H VAL A 69 -4.821 2.150 -13.145 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.006 1.046 -10.411 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.081 -0.414 -10.973 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.220 -2.008 -12.472 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.325 -1.345 -11.244 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.390 -0.744 -12.918 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.329 -0.663 -13.315 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.409 0.668 -13.796 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.043 0.982 -12.699 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.553 1.997 -9.846 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.455 2.874 -9.401 1.00 0.00 C ATOM 1035 C ILE A 70 -0.100 2.158 -9.507 1.00 0.00 C ATOM 1036 O ILE A 70 -0.046 0.950 -9.748 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.655 3.358 -7.939 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.588 2.172 -6.959 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.979 4.107 -7.798 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.676 2.575 -5.497 1.00 0.00 C ATOM 0 H ILE A 70 -2.669 1.155 -9.282 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.465 3.741 -10.061 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.847 4.046 -7.691 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.400 1.481 -7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.655 1.632 -7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.102 4.438 -6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.979 4.973 -8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.802 3.445 -8.066 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.622 1.685 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.849 3.242 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.621 3.088 -5.317 1.00 0.00 H new ATOM 1052 N ASN A 71 0.997 2.895 -9.321 1.00 0.00 N ATOM 1053 CA ASN A 71 2.344 2.303 -9.415 1.00 0.00 C ATOM 1054 C ASN A 71 3.227 2.572 -8.175 1.00 0.00 C ATOM 1055 O ASN A 71 2.817 3.250 -7.231 1.00 0.00 O ATOM 1056 CB ASN A 71 3.049 2.776 -10.699 1.00 0.00 C ATOM 1057 CG ASN A 71 2.981 4.278 -10.930 1.00 0.00 C ATOM 1058 OD1 ASN A 71 2.955 4.731 -12.072 1.00 0.00 O ATOM 1059 ND2 ASN A 71 2.966 5.065 -9.873 1.00 0.00 N ATOM 0 H ASN A 71 0.986 3.892 -9.107 1.00 0.00 H new ATOM 0 HA ASN A 71 2.203 1.223 -9.454 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.095 2.473 -10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.603 2.268 -11.554 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.932 6.078 -9.991 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.988 4.662 -8.936 1.00 0.00 H new ATOM 1066 N TYR A 72 4.455 2.046 -8.235 1.00 0.00 N ATOM 1067 CA TYR A 72 5.446 2.064 -7.136 1.00 0.00 C ATOM 1068 C TYR A 72 5.415 3.337 -6.252 1.00 0.00 C ATOM 1069 O TYR A 72 5.150 3.263 -5.045 1.00 0.00 O ATOM 1070 CB TYR A 72 6.841 1.881 -7.758 1.00 0.00 C ATOM 1071 CG TYR A 72 8.004 1.880 -6.782 1.00 0.00 C ATOM 1072 CD1 TYR A 72 8.167 0.852 -5.863 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.951 2.899 -6.798 1.00 0.00 C ATOM 1074 CE1 TYR A 72 9.237 0.840 -4.991 1.00 0.00 C ATOM 1075 CE2 TYR A 72 10.022 2.894 -5.929 1.00 0.00 C ATOM 1076 CZ TYR A 72 10.162 1.861 -5.028 1.00 0.00 C ATOM 1077 OH TYR A 72 11.227 1.855 -4.152 1.00 0.00 O ATOM 0 H TYR A 72 4.804 1.580 -9.072 1.00 0.00 H new ATOM 0 HA TYR A 72 5.190 1.251 -6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.852 0.940 -8.308 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.002 2.677 -8.485 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.445 0.049 -5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.846 3.709 -7.504 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.349 0.033 -4.282 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.746 3.695 -5.955 1.00 0.00 H new ATOM 0 HH TYR A 72 11.901 2.500 -4.452 1.00 0.00 H new ATOM 1087 N GLU A 73 5.694 4.497 -6.838 1.00 0.00 N ATOM 1088 CA GLU A 73 5.788 5.743 -6.062 1.00 0.00 C ATOM 1089 C GLU A 73 4.439 6.132 -5.429 1.00 0.00 C ATOM 1090 O GLU A 73 4.391 6.603 -4.287 1.00 0.00 O ATOM 1091 CB GLU A 73 6.316 6.883 -6.943 1.00 0.00 C ATOM 1092 CG GLU A 73 6.625 8.164 -6.173 1.00 0.00 C ATOM 1093 CD GLU A 73 7.270 9.224 -7.047 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.504 9.178 -7.227 1.00 0.00 O ATOM 1095 OE2 GLU A 73 6.548 10.103 -7.566 1.00 0.00 O ATOM 0 H GLU A 73 5.859 4.607 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 73 6.491 5.568 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.221 6.548 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.580 7.103 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.703 8.560 -5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.287 7.932 -5.339 1.00 0.00 H new ATOM 1102 N GLU A 74 3.344 5.920 -6.163 1.00 0.00 N ATOM 1103 CA GLU A 74 1.997 6.176 -5.636 1.00 0.00 C ATOM 1104 C GLU A 74 1.714 5.268 -4.433 1.00 0.00 C ATOM 1105 O GLU A 74 1.076 5.676 -3.461 1.00 0.00 O ATOM 1106 CB GLU A 74 0.934 5.943 -6.721 1.00 0.00 C ATOM 1107 CG GLU A 74 1.046 6.881 -7.920 1.00 0.00 C ATOM 1108 CD GLU A 74 -0.012 6.610 -8.983 1.00 0.00 C ATOM 1109 OE1 GLU A 74 0.248 5.795 -9.893 1.00 0.00 O ATOM 1110 OE2 GLU A 74 -1.100 7.216 -8.921 1.00 0.00 O ATOM 0 H GLU A 74 3.361 5.573 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 74 1.951 7.218 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.009 4.914 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.054 6.057 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.955 7.912 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.036 6.778 -8.365 1.00 0.00 H new ATOM 1117 N PHE A 75 2.207 4.034 -4.515 1.00 0.00 N ATOM 1118 CA PHE A 75 2.091 3.059 -3.428 1.00 0.00 C ATOM 1119 C PHE A 75 2.704 3.592 -2.122 1.00 0.00 C ATOM 1120 O PHE A 75 2.098 3.488 -1.055 1.00 0.00 O ATOM 1121 CB PHE A 75 2.770 1.750 -3.851 1.00 0.00 C ATOM 1122 CG PHE A 75 2.831 0.695 -2.773 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.671 0.107 -2.291 1.00 0.00 C ATOM 1124 CD2 PHE A 75 4.050 0.291 -2.247 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.729 -0.859 -1.306 1.00 0.00 C ATOM 1126 CE2 PHE A 75 4.112 -0.676 -1.264 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.949 -1.252 -0.792 1.00 0.00 C ATOM 0 H PHE A 75 2.698 3.680 -5.336 1.00 0.00 H new ATOM 0 HA PHE A 75 1.034 2.877 -3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.238 1.342 -4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.785 1.973 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.713 0.407 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.962 0.739 -2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.819 -1.308 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.068 -0.981 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.994 -2.008 -0.022 1.00 0.00 H new ATOM 1137 N LYS A 76 3.901 4.172 -2.210 1.00 0.00 N ATOM 1138 CA LYS A 76 4.554 4.747 -1.027 1.00 0.00 C ATOM 1139 C LYS A 76 3.721 5.887 -0.415 1.00 0.00 C ATOM 1140 O LYS A 76 3.653 6.035 0.808 1.00 0.00 O ATOM 1141 CB LYS A 76 5.953 5.265 -1.368 1.00 0.00 C ATOM 1142 CG LYS A 76 6.905 4.189 -1.876 1.00 0.00 C ATOM 1143 CD LYS A 76 8.354 4.671 -1.890 1.00 0.00 C ATOM 1144 CE LYS A 76 9.285 3.614 -2.465 1.00 0.00 C ATOM 1145 NZ LYS A 76 10.715 3.904 -2.175 1.00 0.00 N ATOM 0 H LYS A 76 4.435 4.257 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 76 4.638 3.946 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.866 6.045 -2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.384 5.728 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.823 3.304 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.612 3.891 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.430 5.584 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.666 4.920 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.023 2.639 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.140 3.553 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.319 3.293 -2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.918 4.901 -2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.909 3.721 -1.170 1.00 0.00 H new ATOM 1159 N LYS A 77 3.105 6.706 -1.267 1.00 0.00 N ATOM 1160 CA LYS A 77 2.222 7.780 -0.791 1.00 0.00 C ATOM 1161 C LYS A 77 0.904 7.221 -0.234 1.00 0.00 C ATOM 1162 O LYS A 77 0.311 7.799 0.677 1.00 0.00 O ATOM 1163 CB LYS A 77 1.959 8.802 -1.908 1.00 0.00 C ATOM 1164 CG LYS A 77 3.165 9.696 -2.194 1.00 0.00 C ATOM 1165 CD LYS A 77 3.568 10.496 -0.952 1.00 0.00 C ATOM 1166 CE LYS A 77 4.867 11.270 -1.151 1.00 0.00 C ATOM 1167 NZ LYS A 77 5.276 11.984 0.091 1.00 0.00 N ATOM 0 H LYS A 77 3.197 6.651 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 77 2.731 8.290 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.682 8.273 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.109 9.425 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.005 9.084 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.929 10.380 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.769 11.193 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.680 9.817 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.658 10.583 -1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.742 11.989 -1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.520 12.968 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.491 11.972 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.103 11.510 0.507 1.00 0.00 H new ATOM 1181 N ALA A 78 0.461 6.091 -0.777 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.707 5.385 -0.246 1.00 0.00 C ATOM 1183 C ALA A 78 -0.443 4.901 1.188 1.00 0.00 C ATOM 1184 O ALA A 78 -1.268 5.089 2.087 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.073 4.215 -1.153 1.00 0.00 C ATOM 0 H ALA A 78 0.892 5.642 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.548 6.077 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.943 3.698 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.305 4.587 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.233 3.522 -1.210 1.00 0.00 H new ATOM 1191 N LEU A 79 0.724 4.290 1.395 1.00 0.00 N ATOM 1192 CA LEU A 79 1.155 3.865 2.733 1.00 0.00 C ATOM 1193 C LEU A 79 1.344 5.073 3.663 1.00 0.00 C ATOM 1194 O LEU A 79 1.077 4.993 4.858 1.00 0.00 O ATOM 1195 CB LEU A 79 2.465 3.068 2.652 1.00 0.00 C ATOM 1196 CG LEU A 79 2.406 1.770 1.832 1.00 0.00 C ATOM 1197 CD1 LEU A 79 3.764 1.071 1.841 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.313 0.843 2.362 1.00 0.00 C ATOM 0 H LEU A 79 1.391 4.077 0.653 1.00 0.00 H new ATOM 0 HA LEU A 79 0.373 3.227 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.234 3.711 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.782 2.822 3.665 1.00 0.00 H new ATOM 0 HG LEU A 79 2.159 2.025 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.705 0.153 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.516 1.730 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.042 0.830 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.289 -0.070 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.521 0.592 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.347 1.344 2.296 1.00 0.00 H new ATOM 1210 N GLU A 80 1.809 6.187 3.099 1.00 0.00 N ATOM 1211 CA GLU A 80 2.013 7.426 3.860 1.00 0.00 C ATOM 1212 C GLU A 80 0.679 7.944 4.438 1.00 0.00 C ATOM 1213 O GLU A 80 0.603 8.350 5.603 1.00 0.00 O ATOM 1214 CB GLU A 80 2.668 8.477 2.949 1.00 0.00 C ATOM 1215 CG GLU A 80 3.242 9.688 3.680 1.00 0.00 C ATOM 1216 CD GLU A 80 4.091 10.564 2.767 1.00 0.00 C ATOM 1217 OE1 GLU A 80 5.231 10.160 2.437 1.00 0.00 O ATOM 1218 OE2 GLU A 80 3.634 11.654 2.370 1.00 0.00 O ATOM 0 H GLU A 80 2.054 6.260 2.112 1.00 0.00 H new ATOM 0 HA GLU A 80 2.674 7.225 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.468 7.999 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.929 8.823 2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.426 10.281 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.847 9.349 4.521 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.373 7.913 3.617 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.733 8.233 4.075 1.00 0.00 C ATOM 1227 C GLU A 81 -2.183 7.281 5.197 1.00 0.00 C ATOM 1228 O GLU A 81 -2.505 7.713 6.306 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.724 8.130 2.905 1.00 0.00 C ATOM 1230 CG GLU A 81 -2.579 9.213 1.839 1.00 0.00 C ATOM 1231 CD GLU A 81 -3.178 10.550 2.255 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -4.305 10.560 2.793 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -2.547 11.600 2.011 1.00 0.00 O ATOM 0 H GLU A 81 -0.312 7.669 2.628 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.719 9.252 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.603 7.156 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.738 8.167 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.522 9.351 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.061 8.877 0.921 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.201 5.980 4.898 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.647 4.964 5.863 1.00 0.00 C ATOM 1242 C LEU A 82 -1.850 5.030 7.177 1.00 0.00 C ATOM 1243 O LEU A 82 -2.421 4.920 8.257 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.532 3.558 5.257 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.411 3.293 4.022 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.204 1.868 3.510 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -4.888 3.546 4.336 1.00 0.00 C ATOM 0 H LEU A 82 -1.912 5.602 3.996 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.691 5.176 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.491 3.383 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.787 2.828 6.026 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.110 3.987 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.834 1.700 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.158 1.728 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.472 1.158 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.488 3.352 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.207 2.884 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.022 4.583 4.644 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.535 5.215 7.079 1.00 0.00 N ATOM 1260 CA ALA A 83 0.327 5.300 8.262 1.00 0.00 C ATOM 1261 C ALA A 83 -0.100 6.443 9.192 1.00 0.00 C ATOM 1262 O ALA A 83 -0.319 6.236 10.386 1.00 0.00 O ATOM 1263 CB ALA A 83 1.781 5.479 7.844 1.00 0.00 C ATOM 0 H ALA A 83 -0.040 5.309 6.192 1.00 0.00 H new ATOM 0 HA ALA A 83 0.225 4.366 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.410 5.541 8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.092 4.629 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.882 6.396 7.263 1.00 0.00 H new ATOM 1269 N THR A 84 -0.241 7.641 8.624 1.00 0.00 N ATOM 1270 CA THR A 84 -0.621 8.839 9.391 1.00 0.00 C ATOM 1271 C THR A 84 -2.052 8.748 9.947 1.00 0.00 C ATOM 1272 O THR A 84 -2.408 9.452 10.896 1.00 0.00 O ATOM 1273 CB THR A 84 -0.500 10.122 8.523 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.315 10.012 7.344 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.951 10.374 8.119 1.00 0.00 C ATOM 0 H THR A 84 -0.098 7.813 7.629 1.00 0.00 H new ATOM 0 HA THR A 84 0.073 8.894 10.230 1.00 0.00 H new ATOM 0 HB THR A 84 -0.848 10.963 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.646 9.093 7.260 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.008 11.278 7.512 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.561 10.498 9.013 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.321 9.526 7.543 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.871 7.884 9.350 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.266 7.706 9.779 1.00 0.00 C ATOM 1285 C LYS A 85 -4.467 6.430 10.623 1.00 0.00 C ATOM 1286 O LYS A 85 -5.503 6.261 11.272 1.00 0.00 O ATOM 1287 CB LYS A 85 -5.174 7.691 8.541 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.169 9.019 7.783 1.00 0.00 C ATOM 1289 CD LYS A 85 -5.864 8.925 6.426 1.00 0.00 C ATOM 1290 CE LYS A 85 -5.927 10.286 5.739 1.00 0.00 C ATOM 1291 NZ LYS A 85 -6.425 10.190 4.342 1.00 0.00 N ATOM 0 H LYS A 85 -2.596 7.293 8.566 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.532 8.544 10.424 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.852 6.894 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.194 7.457 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.663 9.780 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.139 9.346 7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.330 8.219 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.873 8.535 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.578 10.949 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.934 10.737 5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.878 11.087 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.628 9.998 3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.118 9.418 4.273 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.481 5.536 10.614 1.00 0.00 N ATOM 1306 CA ARG A 86 -3.535 4.307 11.419 1.00 0.00 C ATOM 1307 C ARG A 86 -2.746 4.469 12.719 1.00 0.00 C ATOM 1308 O ARG A 86 -3.293 4.344 13.819 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.960 3.126 10.627 1.00 0.00 C ATOM 1310 CG ARG A 86 -3.030 1.785 11.357 1.00 0.00 C ATOM 1311 CD ARG A 86 -4.454 1.437 11.787 1.00 0.00 C ATOM 1312 NE ARG A 86 -4.527 0.141 12.459 1.00 0.00 N ATOM 1313 CZ ARG A 86 -4.238 -0.061 13.718 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -3.873 0.918 14.486 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -4.336 -1.249 14.216 1.00 0.00 N ATOM 0 H ARG A 86 -2.631 5.635 10.059 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.580 4.113 11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.498 3.041 9.683 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.919 3.340 10.383 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.646 0.999 10.707 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.384 1.817 12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.830 2.212 12.455 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.104 1.428 10.912 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.825 -0.663 11.906 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.808 1.864 14.110 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.651 0.742 15.466 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.638 -2.025 13.627 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.111 -1.411 15.198 1.00 0.00 H new ATOM 1329 N PHE A 87 -1.454 4.725 12.568 1.00 0.00 N ATOM 1330 CA PHE A 87 -0.546 4.901 13.708 1.00 0.00 C ATOM 1331 C PHE A 87 -0.698 6.285 14.353 1.00 0.00 C ATOM 1332 O PHE A 87 -1.533 7.093 13.938 1.00 0.00 O ATOM 1333 CB PHE A 87 0.910 4.689 13.266 1.00 0.00 C ATOM 1334 CG PHE A 87 1.182 3.304 12.734 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.473 2.258 13.601 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.140 3.045 11.372 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.714 0.986 13.118 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.380 1.775 10.886 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.666 0.744 11.760 1.00 0.00 C ATOM 0 H PHE A 87 -1.001 4.817 11.659 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.813 4.154 14.455 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.158 5.420 12.497 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.570 4.881 14.112 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.511 2.441 14.665 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.917 3.846 10.683 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.940 0.182 13.803 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.344 1.588 9.823 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.852 -0.250 11.381 1.00 0.00 H new ATOM 1349 N LYS A 88 0.104 6.540 15.384 1.00 0.00 N ATOM 1350 CA LYS A 88 0.106 7.837 16.065 1.00 0.00 C ATOM 1351 C LYS A 88 0.530 8.959 15.095 1.00 0.00 C ATOM 1352 O LYS A 88 1.508 8.815 14.359 1.00 0.00 O ATOM 1353 CB LYS A 88 1.048 7.783 17.283 1.00 0.00 C ATOM 1354 CG LYS A 88 0.835 8.908 18.295 1.00 0.00 C ATOM 1355 CD LYS A 88 -0.594 8.913 18.834 1.00 0.00 C ATOM 1356 CE LYS A 88 -0.768 9.899 19.985 1.00 0.00 C ATOM 1357 NZ LYS A 88 0.033 9.510 21.178 1.00 0.00 N ATOM 0 H LYS A 88 0.764 5.864 15.769 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.904 8.057 16.411 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.915 6.826 17.788 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.079 7.817 16.931 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.536 8.793 19.121 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.051 9.867 17.825 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.284 9.169 18.030 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.857 7.911 19.172 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.470 10.895 19.657 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.822 9.955 20.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.309 10.031 22.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.065 8.488 21.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.034 9.739 21.014 1.00 0.00 H new ATOM 1371 N GLY A 89 -0.208 10.070 15.098 1.00 0.00 N ATOM 1372 CA GLY A 89 0.024 11.136 14.123 1.00 0.00 C ATOM 1373 C GLY A 89 1.242 12.012 14.431 1.00 0.00 C ATOM 1374 O GLY A 89 1.106 13.219 14.644 1.00 0.00 O ATOM 0 H GLY A 89 -0.964 10.254 15.758 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.151 10.690 13.137 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.862 11.769 14.075 1.00 0.00 H new ATOM 1378 N LYS A 90 2.428 11.410 14.454 1.00 0.00 N ATOM 1379 CA LYS A 90 3.680 12.155 14.653 1.00 0.00 C ATOM 1380 C LYS A 90 4.907 11.302 14.292 1.00 0.00 C ATOM 1381 O LYS A 90 4.872 10.074 14.380 1.00 0.00 O ATOM 1382 CB LYS A 90 3.798 12.674 16.098 1.00 0.00 C ATOM 1383 CG LYS A 90 3.663 11.596 17.168 1.00 0.00 C ATOM 1384 CD LYS A 90 4.012 12.133 18.555 1.00 0.00 C ATOM 1385 CE LYS A 90 3.182 13.360 18.925 1.00 0.00 C ATOM 1386 NZ LYS A 90 3.624 13.964 20.210 1.00 0.00 N ATOM 0 H LYS A 90 2.554 10.405 14.337 1.00 0.00 H new ATOM 0 HA LYS A 90 3.652 13.012 13.981 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.763 13.167 16.216 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.031 13.431 16.263 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.643 11.212 17.172 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.318 10.759 16.926 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.851 11.351 19.297 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.071 12.390 18.587 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.258 14.102 18.130 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.132 13.078 18.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.035 14.794 20.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.528 13.265 20.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.619 14.257 20.132 1.00 0.00 H new ATOM 1400 N SER A 91 5.990 11.981 13.907 1.00 0.00 N ATOM 1401 CA SER A 91 7.225 11.335 13.441 1.00 0.00 C ATOM 1402 C SER A 91 7.012 10.574 12.122 1.00 0.00 C ATOM 1403 O SER A 91 6.709 9.379 12.117 1.00 0.00 O ATOM 1404 CB SER A 91 7.794 10.402 14.520 1.00 0.00 C ATOM 1405 OG SER A 91 8.972 9.731 14.085 1.00 0.00 O ATOM 0 H SER A 91 6.038 13.000 13.909 1.00 0.00 H new ATOM 0 HA SER A 91 7.950 12.125 13.248 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.018 10.980 15.417 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.039 9.665 14.796 1.00 0.00 H new ATOM 0 HG SER A 91 9.301 9.150 14.802 1.00 0.00 H new ATOM 1411 N LYS A 92 7.152 11.299 11.003 1.00 0.00 N ATOM 1412 CA LYS A 92 7.087 10.712 9.652 1.00 0.00 C ATOM 1413 C LYS A 92 7.922 9.424 9.562 1.00 0.00 C ATOM 1414 O LYS A 92 7.500 8.428 8.966 1.00 0.00 O ATOM 1415 CB LYS A 92 7.608 11.744 8.634 1.00 0.00 C ATOM 1416 CG LYS A 92 7.732 11.231 7.198 1.00 0.00 C ATOM 1417 CD LYS A 92 8.444 12.248 6.305 1.00 0.00 C ATOM 1418 CE LYS A 92 8.714 11.701 4.904 1.00 0.00 C ATOM 1419 NZ LYS A 92 7.468 11.534 4.110 1.00 0.00 N ATOM 0 H LYS A 92 7.313 12.306 11.006 1.00 0.00 H new ATOM 0 HA LYS A 92 6.051 10.454 9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.941 12.606 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.586 12.096 8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.282 10.290 7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.740 11.023 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.837 13.150 6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.388 12.537 6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.389 12.376 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.222 10.740 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.704 11.161 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.833 10.870 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.995 12.455 4.009 1.00 0.00 H new ATOM 1433 N GLU A 93 9.104 9.468 10.173 1.00 0.00 N ATOM 1434 CA GLU A 93 10.023 8.328 10.225 1.00 0.00 C ATOM 1435 C GLU A 93 9.363 7.094 10.864 1.00 0.00 C ATOM 1436 O GLU A 93 9.214 6.056 10.222 1.00 0.00 O ATOM 1437 CB GLU A 93 11.266 8.741 11.024 1.00 0.00 C ATOM 1438 CG GLU A 93 12.311 7.647 11.200 1.00 0.00 C ATOM 1439 CD GLU A 93 13.497 8.122 12.026 1.00 0.00 C ATOM 1440 OE1 GLU A 93 13.400 8.114 13.273 1.00 0.00 O ATOM 1441 OE2 GLU A 93 14.518 8.540 11.434 1.00 0.00 O ATOM 0 H GLU A 93 9.455 10.299 10.649 1.00 0.00 H new ATOM 0 HA GLU A 93 10.301 8.051 9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.733 9.592 10.527 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.949 9.082 12.010 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.854 6.783 11.684 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.659 7.317 10.221 1.00 0.00 H new ATOM 1448 N GLU A 94 8.946 7.226 12.123 1.00 0.00 N ATOM 1449 CA GLU A 94 8.367 6.103 12.872 1.00 0.00 C ATOM 1450 C GLU A 94 7.103 5.551 12.190 1.00 0.00 C ATOM 1451 O GLU A 94 6.925 4.336 12.078 1.00 0.00 O ATOM 1452 CB GLU A 94 8.043 6.540 14.308 1.00 0.00 C ATOM 1453 CG GLU A 94 7.554 5.409 15.210 1.00 0.00 C ATOM 1454 CD GLU A 94 7.265 5.878 16.628 1.00 0.00 C ATOM 1455 OE1 GLU A 94 8.227 6.073 17.402 1.00 0.00 O ATOM 1456 OE2 GLU A 94 6.076 6.064 16.971 1.00 0.00 O ATOM 0 H GLU A 94 8.997 8.099 12.649 1.00 0.00 H new ATOM 0 HA GLU A 94 9.107 5.303 12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.935 6.984 14.751 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.282 7.319 14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.650 4.973 14.784 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.306 4.620 15.238 1.00 0.00 H new ATOM 1463 N ALA A 95 6.234 6.450 11.733 1.00 0.00 N ATOM 1464 CA ALA A 95 4.979 6.059 11.081 1.00 0.00 C ATOM 1465 C ALA A 95 5.224 5.267 9.784 1.00 0.00 C ATOM 1466 O ALA A 95 4.624 4.210 9.565 1.00 0.00 O ATOM 1467 CB ALA A 95 4.132 7.294 10.793 1.00 0.00 C ATOM 0 H ALA A 95 6.374 7.458 11.801 1.00 0.00 H new ATOM 0 HA ALA A 95 4.443 5.403 11.767 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.203 6.993 10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.905 7.806 11.728 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.682 7.967 10.135 1.00 0.00 H new ATOM 1473 N PHE A 96 6.107 5.782 8.929 1.00 0.00 N ATOM 1474 CA PHE A 96 6.403 5.137 7.647 1.00 0.00 C ATOM 1475 C PHE A 96 7.105 3.783 7.852 1.00 0.00 C ATOM 1476 O PHE A 96 6.716 2.779 7.252 1.00 0.00 O ATOM 1477 CB PHE A 96 7.257 6.058 6.762 1.00 0.00 C ATOM 1478 CG PHE A 96 7.368 5.595 5.327 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.317 5.795 4.439 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.515 4.960 4.868 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.410 5.372 3.127 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.611 4.536 3.556 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.556 4.742 2.684 1.00 0.00 C ATOM 0 H PHE A 96 6.629 6.642 9.099 1.00 0.00 H new ATOM 0 HA PHE A 96 5.456 4.950 7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.830 7.061 6.778 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.257 6.131 7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.417 6.287 4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.341 4.796 5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.586 5.534 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.509 4.044 3.211 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.629 4.410 1.659 1.00 0.00 H new ATOM 1493 N ASP A 97 8.136 3.760 8.697 1.00 0.00 N ATOM 1494 CA ASP A 97 8.834 2.513 9.036 1.00 0.00 C ATOM 1495 C ASP A 97 7.856 1.447 9.556 1.00 0.00 C ATOM 1496 O ASP A 97 7.855 0.310 9.084 1.00 0.00 O ATOM 1497 CB ASP A 97 9.926 2.782 10.084 1.00 0.00 C ATOM 1498 CG ASP A 97 11.126 3.525 9.515 1.00 0.00 C ATOM 1499 OD1 ASP A 97 10.950 4.333 8.581 1.00 0.00 O ATOM 1500 OD2 ASP A 97 12.258 3.289 9.992 1.00 0.00 O ATOM 0 H ASP A 97 8.508 4.589 9.161 1.00 0.00 H new ATOM 0 HA ASP A 97 9.297 2.132 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.501 3.363 10.903 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.259 1.833 10.505 1.00 0.00 H new ATOM 1505 N ALA A 98 7.011 1.831 10.513 1.00 0.00 N ATOM 1506 CA ALA A 98 6.042 0.908 11.119 1.00 0.00 C ATOM 1507 C ALA A 98 5.135 0.235 10.069 1.00 0.00 C ATOM 1508 O ALA A 98 5.009 -0.996 10.037 1.00 0.00 O ATOM 1509 CB ALA A 98 5.198 1.642 12.156 1.00 0.00 C ATOM 0 H ALA A 98 6.976 2.779 10.889 1.00 0.00 H new ATOM 0 HA ALA A 98 6.610 0.115 11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.483 0.949 12.599 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.846 2.042 12.935 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.661 2.460 11.675 1.00 0.00 H new ATOM 1515 N ILE A 99 4.509 1.038 9.207 1.00 0.00 N ATOM 1516 CA ILE A 99 3.614 0.494 8.180 1.00 0.00 C ATOM 1517 C ILE A 99 4.394 -0.341 7.145 1.00 0.00 C ATOM 1518 O ILE A 99 3.888 -1.337 6.625 1.00 0.00 O ATOM 1519 CB ILE A 99 2.792 1.609 7.475 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.673 0.990 6.618 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.694 2.501 6.622 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.699 2.002 6.044 1.00 0.00 C ATOM 0 H ILE A 99 4.602 2.054 9.197 1.00 0.00 H new ATOM 0 HA ILE A 99 2.909 -0.162 8.690 1.00 0.00 H new ATOM 0 HB ILE A 99 2.336 2.232 8.244 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.125 0.432 5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.120 0.273 7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.093 3.272 6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.446 2.970 7.256 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.187 1.897 5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.057 1.485 5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.216 2.544 6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.237 2.705 5.408 1.00 0.00 H new ATOM 1534 N CYS A 100 5.640 0.054 6.867 1.00 0.00 N ATOM 1535 CA CYS A 100 6.524 -0.740 6.001 1.00 0.00 C ATOM 1536 C CYS A 100 6.855 -2.092 6.652 1.00 0.00 C ATOM 1537 O CYS A 100 6.984 -3.103 5.970 1.00 0.00 O ATOM 1538 CB CYS A 100 7.820 0.023 5.690 1.00 0.00 C ATOM 1539 SG CYS A 100 7.589 1.485 4.650 1.00 0.00 S ATOM 0 H CYS A 100 6.059 0.912 7.225 1.00 0.00 H new ATOM 0 HA CYS A 100 5.995 -0.921 5.065 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.283 0.328 6.629 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.517 -0.654 5.196 1.00 0.00 H new ATOM 0 HG CYS A 100 7.179 2.478 5.382 1.00 0.00 H new ATOM 1545 N GLN A 101 6.977 -2.096 7.979 1.00 0.00 N ATOM 1546 CA GLN A 101 7.200 -3.332 8.740 1.00 0.00 C ATOM 1547 C GLN A 101 5.996 -4.283 8.628 1.00 0.00 C ATOM 1548 O GLN A 101 6.147 -5.504 8.693 1.00 0.00 O ATOM 1549 CB GLN A 101 7.467 -3.004 10.217 1.00 0.00 C ATOM 1550 CG GLN A 101 8.782 -2.271 10.466 1.00 0.00 C ATOM 1551 CD GLN A 101 8.952 -1.832 11.914 1.00 0.00 C ATOM 1552 OE1 GLN A 101 9.603 -0.832 12.203 1.00 0.00 O ATOM 1553 NE2 GLN A 101 8.380 -2.575 12.841 1.00 0.00 N ATOM 0 H GLN A 101 6.925 -1.255 8.554 1.00 0.00 H new ATOM 0 HA GLN A 101 8.071 -3.832 8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.647 -2.395 10.597 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.467 -3.931 10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 101 9.612 -2.921 10.189 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.832 -1.396 9.818 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.844 -3.401 12.574 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.473 -2.324 13.825 1.00 0.00 H new ATOM 1562 N LEU A 102 4.798 -3.716 8.485 1.00 0.00 N ATOM 1563 CA LEU A 102 3.580 -4.524 8.297 1.00 0.00 C ATOM 1564 C LEU A 102 3.512 -5.151 6.890 1.00 0.00 C ATOM 1565 O LEU A 102 3.072 -6.291 6.729 1.00 0.00 O ATOM 1566 CB LEU A 102 2.325 -3.668 8.534 1.00 0.00 C ATOM 1567 CG LEU A 102 2.192 -3.063 9.941 1.00 0.00 C ATOM 1568 CD1 LEU A 102 0.912 -2.237 10.054 1.00 0.00 C ATOM 1569 CD2 LEU A 102 2.228 -4.156 11.009 1.00 0.00 C ATOM 0 H LEU A 102 4.639 -2.709 8.495 1.00 0.00 H new ATOM 0 HA LEU A 102 3.619 -5.332 9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.317 -2.856 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.446 -4.281 8.337 1.00 0.00 H new ATOM 0 HG LEU A 102 3.041 -2.400 10.107 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.837 -1.818 11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.935 -1.428 9.324 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.049 -2.875 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.132 -3.704 11.996 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.404 -4.851 10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.174 -4.694 10.947 1.00 0.00 H new ATOM 1581 N VAL A 103 3.943 -4.400 5.879 1.00 0.00 N ATOM 1582 CA VAL A 103 3.829 -4.834 4.479 1.00 0.00 C ATOM 1583 C VAL A 103 5.081 -5.580 3.979 1.00 0.00 C ATOM 1584 O VAL A 103 5.000 -6.731 3.537 1.00 0.00 O ATOM 1585 CB VAL A 103 3.567 -3.621 3.547 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.403 -4.071 2.091 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.342 -2.834 4.016 1.00 0.00 C ATOM 0 H VAL A 103 4.376 -3.484 5.999 1.00 0.00 H new ATOM 0 HA VAL A 103 2.987 -5.526 4.447 1.00 0.00 H new ATOM 0 HB VAL A 103 4.434 -2.963 3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.220 -3.201 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.312 -4.574 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.560 -4.758 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.176 -1.988 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.466 -3.483 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.510 -2.470 5.029 1.00 0.00 H new ATOM 1597 N ALA A 104 6.233 -4.918 4.062 1.00 0.00 N ATOM 1598 CA ALA A 104 7.473 -5.407 3.439 1.00 0.00 C ATOM 1599 C ALA A 104 7.874 -6.827 3.882 1.00 0.00 C ATOM 1600 O ALA A 104 8.465 -7.019 4.946 1.00 0.00 O ATOM 1601 CB ALA A 104 8.619 -4.432 3.704 1.00 0.00 C ATOM 0 H ALA A 104 6.339 -4.033 4.558 1.00 0.00 H new ATOM 0 HA ALA A 104 7.270 -5.466 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.530 -4.806 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.371 -3.457 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.774 -4.337 4.779 1.00 0.00 H new ATOM 1607 N GLY A 105 7.540 -7.816 3.056 1.00 0.00 N ATOM 1608 CA GLY A 105 8.035 -9.176 3.248 1.00 0.00 C ATOM 1609 C GLY A 105 7.216 -10.031 4.216 1.00 0.00 C ATOM 1610 O GLY A 105 7.597 -11.167 4.511 1.00 0.00 O ATOM 0 H GLY A 105 6.929 -7.701 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.064 -9.676 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.062 -9.125 3.611 1.00 0.00 H new ATOM 1614 N LYS A 106 6.087 -9.517 4.704 1.00 0.00 N ATOM 1615 CA LYS A 106 5.251 -10.285 5.645 1.00 0.00 C ATOM 1616 C LYS A 106 4.307 -11.262 4.910 1.00 0.00 C ATOM 1617 O LYS A 106 3.569 -12.024 5.541 1.00 0.00 O ATOM 1618 CB LYS A 106 4.460 -9.351 6.574 1.00 0.00 C ATOM 1619 CG LYS A 106 3.776 -10.095 7.718 1.00 0.00 C ATOM 1620 CD LYS A 106 3.288 -9.162 8.823 1.00 0.00 C ATOM 1621 CE LYS A 106 2.736 -9.948 10.011 1.00 0.00 C ATOM 1622 NZ LYS A 106 3.736 -10.907 10.562 1.00 0.00 N ATOM 0 H LYS A 106 5.730 -8.590 4.473 1.00 0.00 H new ATOM 0 HA LYS A 106 5.925 -10.883 6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.134 -8.600 6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.708 -8.819 5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 106 2.930 -10.658 7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.472 -10.819 8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.110 -8.527 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.514 -8.503 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.430 -9.254 10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.844 -10.493 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.444 -11.204 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 3.795 -11.741 9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 4.667 -10.447 10.613 1.00 0.00 H new ATOM 1636 N GLU A 107 4.358 -11.233 3.573 1.00 0.00 N ATOM 1637 CA GLU A 107 3.631 -12.188 2.710 1.00 0.00 C ATOM 1638 C GLU A 107 2.114 -11.921 2.647 1.00 0.00 C ATOM 1639 O GLU A 107 1.506 -11.453 3.613 1.00 0.00 O ATOM 1640 CB GLU A 107 3.877 -13.636 3.166 1.00 0.00 C ATOM 1641 CG GLU A 107 5.336 -14.065 3.103 1.00 0.00 C ATOM 1642 CD GLU A 107 5.559 -15.442 3.704 1.00 0.00 C ATOM 1643 OE1 GLU A 107 5.562 -15.555 4.949 1.00 0.00 O ATOM 1644 OE2 GLU A 107 5.725 -16.417 2.942 1.00 0.00 O ATOM 0 H GLU A 107 4.904 -10.547 3.052 1.00 0.00 H new ATOM 0 HA GLU A 107 4.029 -12.042 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.519 -13.750 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.284 -14.307 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.667 -14.066 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.950 -13.336 3.632 1.00 0.00 H new ATOM 1651 N PRO A 108 1.480 -12.229 1.495 1.00 0.00 N ATOM 1652 CA PRO A 108 0.027 -12.090 1.323 1.00 0.00 C ATOM 1653 C PRO A 108 -0.753 -13.204 2.046 1.00 0.00 C ATOM 1654 O PRO A 108 -1.134 -14.209 1.437 1.00 0.00 O ATOM 1655 CB PRO A 108 -0.174 -12.175 -0.208 1.00 0.00 C ATOM 1656 CG PRO A 108 1.204 -12.187 -0.801 1.00 0.00 C ATOM 1657 CD PRO A 108 2.113 -12.724 0.266 1.00 0.00 C ATOM 0 HA PRO A 108 -0.348 -11.161 1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.725 -13.075 -0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.750 -11.325 -0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.239 -12.812 -1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.507 -11.184 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.165 -13.813 0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.132 -12.354 0.156 1.00 0.00 H new ATOM 1665 N ALA A 109 -0.957 -13.024 3.352 1.00 0.00 N ATOM 1666 CA ALA A 109 -1.690 -13.995 4.176 1.00 0.00 C ATOM 1667 C ALA A 109 -1.110 -15.419 4.039 1.00 0.00 C ATOM 1668 O ALA A 109 0.091 -15.599 3.825 1.00 0.00 O ATOM 1669 CB ALA A 109 -3.172 -13.970 3.806 1.00 0.00 C ATOM 0 H ALA A 109 -0.623 -12.210 3.868 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.578 -13.707 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.712 -14.691 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.574 -12.972 3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.289 -14.229 2.754 1.00 0.00 H new