USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 Single : A 6 LYS NZ :NH3+ 171:sc=-0.00287 (180deg=-0.0786) USER MOD Single : A 16 THR OG1 : rot 20:sc= 0.8 USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0133) USER MOD Single : A 26 GLN : amide:sc= 0.0493 K(o=0.049,f=-0.52) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 83:sc= 1.32 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.155 F(o=-1,f=-0.15) USER MOD Single : A 34 SER OG : rot -86:sc= 1.27 USER MOD Single : A 35 GLN : amide:sc= -0.248 K(o=-0.25,f=-0.89) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.035 K(o=0.035,f=-1.4) USER MOD Single : A 42 LYS NZ :NH3+ 146:sc= 1.18 (180deg=0.656) USER MOD Single : A 45 SER OG : rot 180:sc= -0.014 USER MOD Single : A 48 GLN : amide:sc= -0.0404 K(o=-0.04,f=-0.69) USER MOD Single : A 53 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 58 TYR OH : rot -93:sc= -1.52! USER MOD Single : A 60 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.93) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -7.622 -9.807 -1.586 1.00 0.00 N ATOM 78 CA LYS A 6 -6.220 -9.948 -1.323 1.00 0.00 C ATOM 79 C LYS A 6 -5.524 -8.734 -1.877 1.00 0.00 C ATOM 80 O LYS A 6 -5.533 -8.491 -3.096 1.00 0.00 O ATOM 81 CB LYS A 6 -5.651 -11.237 -1.940 1.00 0.00 C ATOM 82 CG LYS A 6 -4.190 -11.528 -1.551 1.00 0.00 C ATOM 83 CD LYS A 6 -4.021 -11.774 -0.043 1.00 0.00 C ATOM 84 CE LYS A 6 -4.754 -13.035 0.433 1.00 0.00 C ATOM 85 NZ LYS A 6 -4.206 -14.265 -0.181 1.00 0.00 N ATOM 0 HA LYS A 6 -6.056 -10.024 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.272 -12.079 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.720 -11.169 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.838 -12.401 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.563 -10.689 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.960 -11.865 0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.396 -10.911 0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.680 -13.108 1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.813 -12.951 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.624 -15.099 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.435 -14.278 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.173 -14.284 -0.059 1.00 0.00 H new ATOM 99 N LEU A 7 -4.973 -7.964 -1.005 1.00 0.00 N ATOM 100 CA LEU A 7 -4.363 -6.735 -1.375 1.00 0.00 C ATOM 101 C LEU A 7 -2.940 -6.970 -1.814 1.00 0.00 C ATOM 102 O LEU A 7 -2.046 -7.107 -0.993 1.00 0.00 O ATOM 103 CB LEU A 7 -4.404 -5.779 -0.192 1.00 0.00 C ATOM 104 CG LEU A 7 -5.792 -5.498 0.381 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.684 -4.670 1.630 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.654 -4.789 -0.637 1.00 0.00 C ATOM 0 H LEU A 7 -4.933 -8.171 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.909 -6.296 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.778 -6.185 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.958 -4.832 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.259 -6.451 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.681 -4.478 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.095 -5.208 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.197 -3.723 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.638 -4.598 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.188 -3.843 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.758 -5.414 -1.524 1.00 0.00 H new ATOM 118 N VAL A 8 -2.748 -7.074 -3.096 1.00 0.00 N ATOM 119 CA VAL A 8 -1.432 -7.239 -3.644 1.00 0.00 C ATOM 120 C VAL A 8 -0.961 -5.887 -4.133 1.00 0.00 C ATOM 121 O VAL A 8 -1.544 -5.318 -5.059 1.00 0.00 O ATOM 122 CB VAL A 8 -1.415 -8.256 -4.823 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.005 -8.468 -5.340 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.035 -9.587 -4.404 1.00 0.00 C ATOM 0 H VAL A 8 -3.495 -7.047 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.773 -7.633 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.015 -7.839 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.010 -9.182 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.410 -7.519 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.631 -8.854 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.011 -10.280 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.469 -10.006 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.068 -9.426 -4.096 1.00 0.00 H new ATOM 134 N LEU A 9 0.033 -5.360 -3.483 1.00 0.00 N ATOM 135 CA LEU A 9 0.597 -4.082 -3.833 1.00 0.00 C ATOM 136 C LEU A 9 1.846 -4.290 -4.640 1.00 0.00 C ATOM 137 O LEU A 9 2.727 -5.071 -4.253 1.00 0.00 O ATOM 138 CB LEU A 9 0.925 -3.224 -2.587 1.00 0.00 C ATOM 139 CG LEU A 9 -0.252 -2.639 -1.771 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.090 -3.717 -1.111 1.00 0.00 C ATOM 141 CD2 LEU A 9 0.266 -1.670 -0.726 1.00 0.00 C ATOM 0 H LEU A 9 0.484 -5.807 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.149 -3.543 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.527 -3.833 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.551 -2.393 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.898 -2.110 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.902 -3.254 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.505 -4.374 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.466 -4.298 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.572 -1.265 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.944 -2.192 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.799 -0.856 -1.217 1.00 0.00 H new ATOM 153 N ASP A 10 1.918 -3.630 -5.753 1.00 0.00 N ATOM 154 CA ASP A 10 3.067 -3.723 -6.624 1.00 0.00 C ATOM 155 C ASP A 10 4.137 -2.728 -6.158 1.00 0.00 C ATOM 156 O ASP A 10 4.002 -1.514 -6.338 1.00 0.00 O ATOM 157 CB ASP A 10 2.658 -3.427 -8.061 1.00 0.00 C ATOM 158 CG ASP A 10 3.742 -3.766 -9.045 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.739 -3.038 -9.124 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.599 -4.771 -9.786 1.00 0.00 O ATOM 0 H ASP A 10 1.184 -3.008 -6.092 1.00 0.00 H new ATOM 0 HA ASP A 10 3.475 -4.733 -6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.759 -3.994 -8.305 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.404 -2.371 -8.154 1.00 0.00 H new ATOM 165 N LEU A 11 5.191 -3.238 -5.560 1.00 0.00 N ATOM 166 CA LEU A 11 6.234 -2.396 -4.969 1.00 0.00 C ATOM 167 C LEU A 11 7.125 -1.792 -6.044 1.00 0.00 C ATOM 168 O LEU A 11 7.807 -0.792 -5.807 1.00 0.00 O ATOM 169 CB LEU A 11 7.075 -3.201 -3.970 1.00 0.00 C ATOM 170 CG LEU A 11 6.313 -3.913 -2.834 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.280 -4.608 -1.895 1.00 0.00 C ATOM 172 CD2 LEU A 11 5.427 -2.946 -2.063 1.00 0.00 C ATOM 0 H LEU A 11 5.358 -4.240 -5.465 1.00 0.00 H new ATOM 0 HA LEU A 11 5.744 -1.581 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.636 -3.952 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.804 -2.528 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 11 5.668 -4.663 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.723 -5.104 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.858 -5.348 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.956 -3.872 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.906 -3.483 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.042 -2.160 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.698 -2.501 -2.740 1.00 0.00 H new ATOM 184 N GLU A 12 7.071 -2.372 -7.229 1.00 0.00 N ATOM 185 CA GLU A 12 7.845 -1.900 -8.361 1.00 0.00 C ATOM 186 C GLU A 12 7.225 -0.613 -8.866 1.00 0.00 C ATOM 187 O GLU A 12 7.922 0.361 -9.174 1.00 0.00 O ATOM 188 CB GLU A 12 7.841 -2.949 -9.462 1.00 0.00 C ATOM 189 CG GLU A 12 8.408 -4.287 -9.036 1.00 0.00 C ATOM 190 CD GLU A 12 9.878 -4.233 -8.774 1.00 0.00 C ATOM 191 OE1 GLU A 12 10.294 -3.932 -7.659 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.644 -4.516 -9.702 1.00 0.00 O ATOM 0 H GLU A 12 6.489 -3.184 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 12 8.877 -1.719 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.818 -3.093 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.416 -2.575 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.895 -4.624 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.208 -5.025 -9.812 1.00 0.00 H new ATOM 199 N ARG A 13 5.902 -0.609 -8.930 1.00 0.00 N ATOM 200 CA ARG A 13 5.133 0.567 -9.309 1.00 0.00 C ATOM 201 C ARG A 13 5.389 1.683 -8.299 1.00 0.00 C ATOM 202 O ARG A 13 5.453 2.862 -8.651 1.00 0.00 O ATOM 203 CB ARG A 13 3.632 0.232 -9.356 1.00 0.00 C ATOM 204 CG ARG A 13 2.739 1.387 -9.795 1.00 0.00 C ATOM 205 CD ARG A 13 3.026 1.804 -11.227 1.00 0.00 C ATOM 206 NE ARG A 13 2.217 2.952 -11.641 1.00 0.00 N ATOM 207 CZ ARG A 13 2.306 3.564 -12.831 1.00 0.00 C ATOM 208 NH1 ARG A 13 3.131 3.096 -13.772 1.00 0.00 N ATOM 209 NH2 ARG A 13 1.565 4.629 -13.079 1.00 0.00 N ATOM 0 H ARG A 13 5.329 -1.426 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 13 5.444 0.895 -10.301 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.481 -0.606 -10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.316 -0.099 -8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.693 1.094 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.891 2.238 -9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.083 2.051 -11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.831 0.964 -11.894 1.00 0.00 H new ATOM 0 HE ARG A 13 1.535 3.313 -10.974 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.698 2.268 -13.587 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.194 3.566 -14.675 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.927 4.984 -12.366 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.631 5.097 -13.983 1.00 0.00 H new ATOM 223 N LEU A 14 5.606 1.285 -7.059 1.00 0.00 N ATOM 224 CA LEU A 14 5.877 2.199 -5.968 1.00 0.00 C ATOM 225 C LEU A 14 7.242 2.870 -6.095 1.00 0.00 C ATOM 226 O LEU A 14 7.531 3.828 -5.391 1.00 0.00 O ATOM 227 CB LEU A 14 5.750 1.476 -4.631 1.00 0.00 C ATOM 228 CG LEU A 14 4.343 1.079 -4.204 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.382 0.417 -2.852 1.00 0.00 C ATOM 230 CD2 LEU A 14 3.415 2.290 -4.171 1.00 0.00 C ATOM 0 H LEU A 14 5.599 0.304 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 14 5.132 2.993 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.361 0.575 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.174 2.115 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 14 3.951 0.374 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.371 0.137 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.006 -0.475 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.796 1.110 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.418 1.976 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.799 3.024 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.364 2.737 -5.164 1.00 0.00 H new ATOM 242 N ALA A 15 8.074 2.373 -6.987 1.00 0.00 N ATOM 243 CA ALA A 15 9.363 2.980 -7.228 1.00 0.00 C ATOM 244 C ALA A 15 9.213 4.169 -8.170 1.00 0.00 C ATOM 245 O ALA A 15 9.970 5.126 -8.101 1.00 0.00 O ATOM 246 CB ALA A 15 10.331 1.966 -7.805 1.00 0.00 C ATOM 0 H ALA A 15 7.879 1.550 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 15 9.765 3.333 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.296 2.442 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.455 1.141 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.939 1.584 -8.748 1.00 0.00 H new ATOM 252 N THR A 16 8.219 4.108 -9.037 1.00 0.00 N ATOM 253 CA THR A 16 7.963 5.183 -9.977 1.00 0.00 C ATOM 254 C THR A 16 7.026 6.243 -9.393 1.00 0.00 C ATOM 255 O THR A 16 6.845 7.332 -9.966 1.00 0.00 O ATOM 256 CB THR A 16 7.433 4.632 -11.313 1.00 0.00 C ATOM 257 OG1 THR A 16 6.496 3.561 -11.065 1.00 0.00 O ATOM 258 CG2 THR A 16 8.581 4.117 -12.168 1.00 0.00 C ATOM 0 H THR A 16 7.573 3.322 -9.109 1.00 0.00 H new ATOM 0 HA THR A 16 8.914 5.678 -10.174 1.00 0.00 H new ATOM 0 HB THR A 16 6.930 5.439 -11.846 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.163 3.624 -10.145 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.189 3.731 -13.109 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.277 4.931 -12.371 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.101 3.320 -11.637 1.00 0.00 H new ATOM 266 N VAL A 17 6.444 5.917 -8.263 1.00 0.00 N ATOM 267 CA VAL A 17 5.603 6.832 -7.526 1.00 0.00 C ATOM 268 C VAL A 17 6.512 7.562 -6.542 1.00 0.00 C ATOM 269 O VAL A 17 7.348 6.916 -5.916 1.00 0.00 O ATOM 270 CB VAL A 17 4.480 6.067 -6.748 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.610 7.017 -5.933 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.609 5.270 -7.707 1.00 0.00 C ATOM 0 H VAL A 17 6.541 5.001 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 17 5.107 7.525 -8.206 1.00 0.00 H new ATOM 0 HB VAL A 17 4.976 5.383 -6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.843 6.448 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.229 7.546 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.135 7.737 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.835 4.746 -7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.143 5.947 -8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.224 4.545 -8.240 1.00 0.00 H new ATOM 282 N PRO A 18 6.424 8.910 -6.458 1.00 0.00 N ATOM 283 CA PRO A 18 7.254 9.727 -5.551 1.00 0.00 C ATOM 284 C PRO A 18 7.362 9.159 -4.125 1.00 0.00 C ATOM 285 O PRO A 18 6.365 8.683 -3.534 1.00 0.00 O ATOM 286 CB PRO A 18 6.517 11.059 -5.532 1.00 0.00 C ATOM 287 CG PRO A 18 5.918 11.160 -6.887 1.00 0.00 C ATOM 288 CD PRO A 18 5.527 9.759 -7.277 1.00 0.00 C ATOM 0 HA PRO A 18 8.287 9.777 -5.895 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.752 11.081 -4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.196 11.888 -5.334 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.050 11.819 -6.881 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.631 11.578 -7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.477 9.560 -7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.671 9.584 -8.343 1.00 0.00 H new ATOM 296 N ALA A 19 8.555 9.270 -3.559 1.00 0.00 N ATOM 297 CA ALA A 19 8.886 8.751 -2.232 1.00 0.00 C ATOM 298 C ALA A 19 8.092 9.457 -1.136 1.00 0.00 C ATOM 299 O ALA A 19 7.984 8.975 -0.014 1.00 0.00 O ATOM 300 CB ALA A 19 10.379 8.868 -1.977 1.00 0.00 C ATOM 0 H ALA A 19 9.340 9.733 -4.017 1.00 0.00 H new ATOM 0 HA ALA A 19 8.608 7.697 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.610 8.478 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.922 8.295 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.677 9.915 -2.034 1.00 0.00 H new ATOM 306 N GLU A 20 7.547 10.599 -1.458 1.00 0.00 N ATOM 307 CA GLU A 20 6.715 11.329 -0.526 1.00 0.00 C ATOM 308 C GLU A 20 5.329 10.688 -0.388 1.00 0.00 C ATOM 309 O GLU A 20 4.562 11.026 0.524 1.00 0.00 O ATOM 310 CB GLU A 20 6.612 12.786 -0.938 1.00 0.00 C ATOM 311 CG GLU A 20 7.943 13.509 -0.866 1.00 0.00 C ATOM 312 CD GLU A 20 8.515 13.483 0.533 1.00 0.00 C ATOM 313 OE1 GLU A 20 8.086 14.285 1.372 1.00 0.00 O ATOM 314 OE2 GLU A 20 9.402 12.655 0.815 1.00 0.00 O ATOM 0 H GLU A 20 7.663 11.051 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 20 7.187 11.284 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.225 12.845 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.893 13.292 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.647 13.045 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.814 14.542 -1.188 1.00 0.00 H new ATOM 321 N LYS A 21 5.018 9.766 -1.289 1.00 0.00 N ATOM 322 CA LYS A 21 3.758 9.051 -1.248 1.00 0.00 C ATOM 323 C LYS A 21 4.025 7.581 -0.935 1.00 0.00 C ATOM 324 O LYS A 21 3.474 7.017 0.000 1.00 0.00 O ATOM 325 CB LYS A 21 3.037 9.110 -2.605 1.00 0.00 C ATOM 326 CG LYS A 21 2.904 10.483 -3.234 1.00 0.00 C ATOM 327 CD LYS A 21 2.145 10.387 -4.553 1.00 0.00 C ATOM 328 CE LYS A 21 2.181 11.690 -5.334 1.00 0.00 C ATOM 329 NZ LYS A 21 1.586 12.825 -4.598 1.00 0.00 N ATOM 0 H LYS A 21 5.628 9.497 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 21 3.135 9.518 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.568 8.463 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.038 8.692 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.380 11.154 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.892 10.910 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.575 9.590 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.109 10.113 -4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.215 11.929 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.649 11.557 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.594 13.672 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.606 12.594 -4.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.139 13.008 -3.736 1.00 0.00 H new ATOM 343 N ALA A 22 4.905 6.980 -1.723 1.00 0.00 N ATOM 344 CA ALA A 22 5.174 5.544 -1.650 1.00 0.00 C ATOM 345 C ALA A 22 6.385 5.200 -0.787 1.00 0.00 C ATOM 346 O ALA A 22 6.635 4.027 -0.509 1.00 0.00 O ATOM 347 CB ALA A 22 5.387 5.017 -3.048 1.00 0.00 C ATOM 0 H ALA A 22 5.453 7.469 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 22 4.311 5.076 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.589 3.947 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.492 5.195 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.235 5.528 -3.504 1.00 0.00 H new ATOM 353 N GLY A 23 7.109 6.210 -0.359 1.00 0.00 N ATOM 354 CA GLY A 23 8.326 6.009 0.429 1.00 0.00 C ATOM 355 C GLY A 23 8.090 5.267 1.736 1.00 0.00 C ATOM 356 O GLY A 23 8.612 4.165 1.911 1.00 0.00 O ATOM 0 H GLY A 23 6.883 7.188 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.048 5.454 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.772 6.979 0.647 1.00 0.00 H new ATOM 360 N PRO A 24 7.274 5.818 2.680 1.00 0.00 N ATOM 361 CA PRO A 24 7.014 5.155 3.969 1.00 0.00 C ATOM 362 C PRO A 24 6.275 3.830 3.787 1.00 0.00 C ATOM 363 O PRO A 24 6.357 2.935 4.636 1.00 0.00 O ATOM 364 CB PRO A 24 6.143 6.147 4.741 1.00 0.00 C ATOM 365 CG PRO A 24 6.292 7.448 4.022 1.00 0.00 C ATOM 366 CD PRO A 24 6.570 7.113 2.590 1.00 0.00 C ATOM 0 HA PRO A 24 7.941 4.910 4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.102 5.825 4.759 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.468 6.232 5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.385 8.047 4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.105 8.036 4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.651 7.033 2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.185 7.874 2.110 1.00 0.00 H new ATOM 374 N LEU A 25 5.587 3.703 2.664 1.00 0.00 N ATOM 375 CA LEU A 25 4.879 2.496 2.333 1.00 0.00 C ATOM 376 C LEU A 25 5.924 1.421 2.010 1.00 0.00 C ATOM 377 O LEU A 25 5.851 0.305 2.518 1.00 0.00 O ATOM 378 CB LEU A 25 3.934 2.761 1.138 1.00 0.00 C ATOM 379 CG LEU A 25 2.781 1.761 0.861 1.00 0.00 C ATOM 380 CD1 LEU A 25 1.932 2.257 -0.288 1.00 0.00 C ATOM 381 CD2 LEU A 25 3.272 0.348 0.567 1.00 0.00 C ATOM 0 H LEU A 25 5.509 4.439 1.962 1.00 0.00 H new ATOM 0 HA LEU A 25 4.259 2.155 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.489 3.746 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.547 2.815 0.238 1.00 0.00 H new ATOM 0 HG LEU A 25 2.187 1.707 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.125 1.549 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.510 3.230 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.548 2.350 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.418 -0.303 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.915 0.362 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.835 -0.027 1.422 1.00 0.00 H new ATOM 393 N GLN A 26 6.919 1.777 1.196 1.00 0.00 N ATOM 394 CA GLN A 26 8.008 0.861 0.887 1.00 0.00 C ATOM 395 C GLN A 26 8.830 0.536 2.127 1.00 0.00 C ATOM 396 O GLN A 26 9.356 -0.556 2.241 1.00 0.00 O ATOM 397 CB GLN A 26 8.919 1.367 -0.228 1.00 0.00 C ATOM 398 CG GLN A 26 8.344 1.269 -1.637 1.00 0.00 C ATOM 399 CD GLN A 26 9.365 1.686 -2.682 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.219 2.543 -2.426 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.331 1.070 -3.839 1.00 0.00 N ATOM 0 H GLN A 26 6.990 2.688 0.743 1.00 0.00 H new ATOM 0 HA GLN A 26 7.533 -0.051 0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.167 2.409 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.852 0.805 -0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.021 0.246 -1.830 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.460 1.902 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.615 0.367 -4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.021 1.293 -4.556 1.00 0.00 H new ATOM 410 N ARG A 27 8.926 1.489 3.052 1.00 0.00 N ATOM 411 CA ARG A 27 9.621 1.251 4.328 1.00 0.00 C ATOM 412 C ARG A 27 8.910 0.137 5.066 1.00 0.00 C ATOM 413 O ARG A 27 9.527 -0.838 5.503 1.00 0.00 O ATOM 414 CB ARG A 27 9.615 2.492 5.218 1.00 0.00 C ATOM 415 CG ARG A 27 10.177 3.741 4.586 1.00 0.00 C ATOM 416 CD ARG A 27 11.602 3.577 4.129 1.00 0.00 C ATOM 417 NE ARG A 27 12.042 4.772 3.422 1.00 0.00 N ATOM 418 CZ ARG A 27 13.112 4.869 2.646 1.00 0.00 C ATOM 419 NH1 ARG A 27 13.968 3.856 2.535 1.00 0.00 N ATOM 420 NH2 ARG A 27 13.328 5.997 1.989 1.00 0.00 N ATOM 0 H ARG A 27 8.537 2.427 2.950 1.00 0.00 H new ATOM 0 HA ARG A 27 10.656 0.990 4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.589 2.692 5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.185 2.274 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.558 4.021 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.123 4.561 5.303 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.249 3.394 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.685 2.708 3.477 1.00 0.00 H new ATOM 0 HE ARG A 27 11.474 5.612 3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.805 2.991 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.787 3.944 1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.676 6.775 2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.147 6.088 1.388 1.00 0.00 H new ATOM 434 N TYR A 28 7.596 0.293 5.173 1.00 0.00 N ATOM 435 CA TYR A 28 6.715 -0.686 5.798 1.00 0.00 C ATOM 436 C TYR A 28 6.877 -2.036 5.098 1.00 0.00 C ATOM 437 O TYR A 28 7.068 -3.061 5.749 1.00 0.00 O ATOM 438 CB TYR A 28 5.253 -0.197 5.699 1.00 0.00 C ATOM 439 CG TYR A 28 4.214 -1.072 6.386 1.00 0.00 C ATOM 440 CD1 TYR A 28 3.636 -2.159 5.736 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.800 -0.795 7.679 1.00 0.00 C ATOM 442 CE1 TYR A 28 2.683 -2.940 6.359 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.850 -1.571 8.309 1.00 0.00 C ATOM 444 CZ TYR A 28 2.295 -2.641 7.646 1.00 0.00 C ATOM 445 OH TYR A 28 1.344 -3.412 8.270 1.00 0.00 O ATOM 0 H TYR A 28 7.105 1.116 4.823 1.00 0.00 H new ATOM 0 HA TYR A 28 6.976 -0.803 6.850 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.195 0.805 6.124 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.989 -0.112 4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.938 -2.396 4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.230 0.045 8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.245 -3.780 5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.543 -1.340 9.318 1.00 0.00 H new ATOM 0 HH TYR A 28 1.185 -3.068 9.174 1.00 0.00 H new ATOM 455 N ALA A 29 6.830 -2.007 3.773 1.00 0.00 N ATOM 456 CA ALA A 29 6.982 -3.197 2.944 1.00 0.00 C ATOM 457 C ALA A 29 8.301 -3.903 3.224 1.00 0.00 C ATOM 458 O ALA A 29 8.320 -5.109 3.514 1.00 0.00 O ATOM 459 CB ALA A 29 6.882 -2.829 1.474 1.00 0.00 C ATOM 0 H ALA A 29 6.684 -1.151 3.238 1.00 0.00 H new ATOM 0 HA ALA A 29 6.175 -3.886 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.997 -3.726 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.909 -2.379 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.668 -2.117 1.223 1.00 0.00 H new ATOM 465 N ALA A 30 9.392 -3.136 3.189 1.00 0.00 N ATOM 466 CA ALA A 30 10.728 -3.652 3.440 1.00 0.00 C ATOM 467 C ALA A 30 10.798 -4.280 4.818 1.00 0.00 C ATOM 468 O ALA A 30 11.385 -5.355 4.999 1.00 0.00 O ATOM 469 CB ALA A 30 11.754 -2.536 3.323 1.00 0.00 C ATOM 0 H ALA A 30 9.368 -2.137 2.985 1.00 0.00 H new ATOM 0 HA ALA A 30 10.952 -4.415 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.750 -2.936 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.719 -2.113 2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.530 -1.758 4.053 1.00 0.00 H new ATOM 475 N THR A 31 10.164 -3.625 5.774 1.00 0.00 N ATOM 476 CA THR A 31 10.096 -4.093 7.131 1.00 0.00 C ATOM 477 C THR A 31 9.370 -5.449 7.202 1.00 0.00 C ATOM 478 O THR A 31 9.874 -6.381 7.806 1.00 0.00 O ATOM 479 CB THR A 31 9.407 -3.045 8.041 1.00 0.00 C ATOM 480 OG1 THR A 31 10.120 -1.801 7.941 1.00 0.00 O ATOM 481 CG2 THR A 31 9.399 -3.492 9.499 1.00 0.00 C ATOM 0 H THR A 31 9.678 -2.742 5.619 1.00 0.00 H new ATOM 0 HA THR A 31 11.114 -4.235 7.495 1.00 0.00 H new ATOM 0 HB THR A 31 8.375 -2.930 7.711 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.814 -1.311 7.149 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.908 -2.734 10.109 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.859 -4.435 9.588 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.424 -3.628 9.844 1.00 0.00 H new ATOM 489 N ILE A 32 8.225 -5.566 6.532 1.00 0.00 N ATOM 490 CA ILE A 32 7.459 -6.818 6.529 1.00 0.00 C ATOM 491 C ILE A 32 8.305 -7.960 5.958 1.00 0.00 C ATOM 492 O ILE A 32 8.373 -9.055 6.555 1.00 0.00 O ATOM 493 CB ILE A 32 6.119 -6.688 5.737 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.226 -5.591 6.345 1.00 0.00 C ATOM 495 CG2 ILE A 32 5.366 -8.022 5.679 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.871 -5.803 7.809 1.00 0.00 C ATOM 0 H ILE A 32 7.806 -4.814 5.985 1.00 0.00 H new ATOM 0 HA ILE A 32 7.204 -7.043 7.565 1.00 0.00 H new ATOM 0 HB ILE A 32 6.371 -6.403 4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.732 -4.631 6.243 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.304 -5.529 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.439 -7.893 5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.987 -8.769 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.136 -8.354 6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.240 -4.983 8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.334 -6.745 7.920 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.784 -5.833 8.404 1.00 0.00 H new ATOM 508 N GLN A 33 8.982 -7.681 4.844 1.00 0.00 N ATOM 509 CA GLN A 33 9.865 -8.647 4.197 1.00 0.00 C ATOM 510 C GLN A 33 10.945 -9.105 5.166 1.00 0.00 C ATOM 511 O GLN A 33 11.081 -10.292 5.430 1.00 0.00 O ATOM 512 CB GLN A 33 10.555 -8.042 2.980 1.00 0.00 C ATOM 513 CG GLN A 33 9.635 -7.529 1.891 1.00 0.00 C ATOM 514 CD GLN A 33 10.408 -6.919 0.735 1.00 0.00 C ATOM 515 OE1 GLN A 33 11.590 -7.437 0.463 1.00 0.00 O flip ATOM 516 NE2 GLN A 33 9.942 -5.988 0.081 1.00 0.00 N flip ATOM 0 H GLN A 33 8.933 -6.781 4.367 1.00 0.00 H new ATOM 0 HA GLN A 33 9.246 -9.488 3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.186 -7.219 3.315 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.215 -8.794 2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.017 -8.348 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.959 -6.783 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.025 -5.609 0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.473 -5.595 -0.696 1.00 0.00 H new ATOM 525 N SER A 34 11.664 -8.148 5.726 1.00 0.00 N ATOM 526 CA SER A 34 12.782 -8.423 6.610 1.00 0.00 C ATOM 527 C SER A 34 12.365 -9.052 7.949 1.00 0.00 C ATOM 528 O SER A 34 13.114 -9.857 8.510 1.00 0.00 O ATOM 529 CB SER A 34 13.643 -7.164 6.800 1.00 0.00 C ATOM 530 OG SER A 34 12.850 -6.028 7.111 1.00 0.00 O ATOM 0 H SER A 34 11.488 -7.154 5.579 1.00 0.00 H new ATOM 0 HA SER A 34 13.392 -9.183 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.365 -7.334 7.599 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.213 -6.972 5.891 1.00 0.00 H new ATOM 0 HG SER A 34 12.539 -5.609 6.281 1.00 0.00 H new ATOM 536 N GLN A 35 11.180 -8.707 8.452 1.00 0.00 N ATOM 537 CA GLN A 35 10.689 -9.292 9.702 1.00 0.00 C ATOM 538 C GLN A 35 10.431 -10.779 9.557 1.00 0.00 C ATOM 539 O GLN A 35 10.765 -11.558 10.443 1.00 0.00 O ATOM 540 CB GLN A 35 9.440 -8.580 10.247 1.00 0.00 C ATOM 541 CG GLN A 35 9.691 -7.159 10.743 1.00 0.00 C ATOM 542 CD GLN A 35 10.742 -7.088 11.835 1.00 0.00 C ATOM 543 OE1 GLN A 35 10.917 -8.028 12.614 1.00 0.00 O ATOM 544 NE2 GLN A 35 11.445 -5.989 11.901 1.00 0.00 N ATOM 0 H GLN A 35 10.548 -8.033 8.020 1.00 0.00 H new ATOM 0 HA GLN A 35 11.485 -9.147 10.433 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.683 -8.550 9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.028 -9.170 11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.004 -6.538 9.904 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.757 -6.741 11.118 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.272 -5.232 11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.167 -5.888 12.614 1.00 0.00 H new ATOM 553 N ARG A 36 9.849 -11.184 8.438 1.00 0.00 N ATOM 554 CA ARG A 36 9.625 -12.606 8.211 1.00 0.00 C ATOM 555 C ARG A 36 10.827 -13.246 7.534 1.00 0.00 C ATOM 556 O ARG A 36 10.940 -14.473 7.449 1.00 0.00 O ATOM 557 CB ARG A 36 8.330 -12.879 7.457 1.00 0.00 C ATOM 558 CG ARG A 36 8.216 -12.206 6.132 1.00 0.00 C ATOM 559 CD ARG A 36 6.903 -12.543 5.478 1.00 0.00 C ATOM 560 NE ARG A 36 6.788 -13.975 5.162 1.00 0.00 N ATOM 561 CZ ARG A 36 6.240 -14.474 4.047 1.00 0.00 C ATOM 562 NH1 ARG A 36 5.529 -13.695 3.239 1.00 0.00 N ATOM 563 NH2 ARG A 36 6.342 -15.765 3.786 1.00 0.00 N ATOM 0 H ARG A 36 9.530 -10.568 7.690 1.00 0.00 H new ATOM 0 HA ARG A 36 9.508 -13.074 9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.233 -13.955 7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.492 -12.565 8.080 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.299 -11.127 6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.039 -12.516 5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.086 -12.252 6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.796 -11.961 4.562 1.00 0.00 H new ATOM 0 HE ARG A 36 7.154 -14.639 5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.398 -12.709 3.466 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.115 -14.083 2.391 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.837 -16.379 4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.926 -16.148 2.937 1.00 0.00 H new ATOM 577 N GLY A 37 11.714 -12.395 7.058 1.00 0.00 N ATOM 578 CA GLY A 37 12.940 -12.814 6.425 1.00 0.00 C ATOM 579 C GLY A 37 12.707 -13.505 5.109 1.00 0.00 C ATOM 580 O GLY A 37 13.506 -14.344 4.699 1.00 0.00 O ATOM 0 H GLY A 37 11.599 -11.383 7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.578 -11.944 6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.478 -13.486 7.093 1.00 0.00 H new ATOM 584 N ASP A 38 11.650 -13.142 4.424 1.00 0.00 N ATOM 585 CA ASP A 38 11.327 -13.822 3.177 1.00 0.00 C ATOM 586 C ASP A 38 11.848 -12.990 2.001 1.00 0.00 C ATOM 587 O ASP A 38 12.570 -12.014 2.214 1.00 0.00 O ATOM 588 CB ASP A 38 9.821 -14.117 3.067 1.00 0.00 C ATOM 589 CG ASP A 38 9.523 -15.244 2.080 1.00 0.00 C ATOM 590 OD1 ASP A 38 9.354 -14.980 0.883 1.00 0.00 O ATOM 591 OD2 ASP A 38 9.469 -16.414 2.493 1.00 0.00 O ATOM 0 H ASP A 38 11.007 -12.398 4.694 1.00 0.00 H new ATOM 0 HA ASP A 38 11.822 -14.793 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.433 -14.385 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.298 -13.214 2.753 1.00 0.00 H new ATOM 596 N TYR A 39 11.488 -13.344 0.800 1.00 0.00 N ATOM 597 CA TYR A 39 12.054 -12.746 -0.385 1.00 0.00 C ATOM 598 C TYR A 39 10.953 -12.141 -1.229 1.00 0.00 C ATOM 599 O TYR A 39 9.783 -12.192 -0.841 1.00 0.00 O ATOM 600 CB TYR A 39 12.805 -13.828 -1.198 1.00 0.00 C ATOM 601 CG TYR A 39 13.891 -14.553 -0.417 1.00 0.00 C ATOM 602 CD1 TYR A 39 13.568 -15.590 0.456 1.00 0.00 C ATOM 603 CD2 TYR A 39 15.225 -14.194 -0.534 1.00 0.00 C ATOM 604 CE1 TYR A 39 14.535 -16.239 1.181 1.00 0.00 C ATOM 605 CE2 TYR A 39 16.202 -14.844 0.195 1.00 0.00 C ATOM 606 CZ TYR A 39 15.845 -15.868 1.051 1.00 0.00 C ATOM 607 OH TYR A 39 16.809 -16.517 1.789 1.00 0.00 O ATOM 0 H TYR A 39 10.788 -14.061 0.610 1.00 0.00 H new ATOM 0 HA TYR A 39 12.752 -11.960 -0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.083 -14.560 -1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.254 -13.361 -2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.536 -15.889 0.564 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.504 -13.395 -1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.263 -17.040 1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.238 -14.554 0.096 1.00 0.00 H new ATOM 0 HH TYR A 39 17.689 -16.138 1.583 1.00 0.00 H new ATOM 617 N ASN A 40 11.340 -11.575 -2.373 1.00 0.00 N ATOM 618 CA ASN A 40 10.411 -10.989 -3.355 1.00 0.00 C ATOM 619 C ASN A 40 9.815 -9.679 -2.870 1.00 0.00 C ATOM 620 O ASN A 40 8.783 -9.647 -2.200 1.00 0.00 O ATOM 621 CB ASN A 40 9.310 -11.984 -3.799 1.00 0.00 C ATOM 622 CG ASN A 40 8.277 -11.403 -4.762 1.00 0.00 C ATOM 623 OD1 ASN A 40 8.559 -10.504 -5.565 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.080 -11.923 -4.695 1.00 0.00 N ATOM 0 H ASN A 40 12.319 -11.507 -2.652 1.00 0.00 H new ATOM 0 HA ASN A 40 11.008 -10.765 -4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.785 -12.843 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.794 -12.353 -2.913 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.343 -11.589 -5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.882 -12.663 -4.021 1.00 0.00 H new ATOM 631 N GLY A 41 10.490 -8.609 -3.192 1.00 0.00 N ATOM 632 CA GLY A 41 10.030 -7.299 -2.833 1.00 0.00 C ATOM 633 C GLY A 41 9.475 -6.576 -4.025 1.00 0.00 C ATOM 634 O GLY A 41 9.566 -5.364 -4.128 1.00 0.00 O ATOM 0 H GLY A 41 11.370 -8.622 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.263 -7.378 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.853 -6.725 -2.407 1.00 0.00 H new ATOM 638 N LYS A 42 8.925 -7.328 -4.950 1.00 0.00 N ATOM 639 CA LYS A 42 8.354 -6.752 -6.152 1.00 0.00 C ATOM 640 C LYS A 42 6.851 -6.566 -5.972 1.00 0.00 C ATOM 641 O LYS A 42 6.246 -5.661 -6.555 1.00 0.00 O ATOM 642 CB LYS A 42 8.658 -7.641 -7.367 1.00 0.00 C ATOM 643 CG LYS A 42 10.153 -7.907 -7.562 1.00 0.00 C ATOM 644 CD LYS A 42 10.430 -8.826 -8.750 1.00 0.00 C ATOM 645 CE LYS A 42 10.181 -8.152 -10.101 1.00 0.00 C ATOM 646 NZ LYS A 42 11.112 -7.029 -10.356 1.00 0.00 N ATOM 0 H LYS A 42 8.859 -8.344 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 42 8.804 -5.775 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.139 -8.592 -7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.260 -7.167 -8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.672 -6.960 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.561 -8.356 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.465 -9.166 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.800 -9.712 -8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.282 -8.891 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.155 -7.784 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.327 -6.980 -11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.672 -6.137 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.992 -7.180 -9.823 1.00 0.00 H new ATOM 660 N VAL A 43 6.260 -7.430 -5.157 1.00 0.00 N ATOM 661 CA VAL A 43 4.839 -7.391 -4.818 1.00 0.00 C ATOM 662 C VAL A 43 4.651 -7.792 -3.363 1.00 0.00 C ATOM 663 O VAL A 43 5.306 -8.721 -2.879 1.00 0.00 O ATOM 664 CB VAL A 43 3.942 -8.313 -5.722 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.816 -7.762 -7.127 1.00 0.00 C ATOM 666 CG2 VAL A 43 4.474 -9.746 -5.770 1.00 0.00 C ATOM 0 H VAL A 43 6.762 -8.193 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 43 4.514 -6.366 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 43 2.952 -8.329 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.189 -8.425 -7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.363 -6.771 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.805 -7.692 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.828 -10.353 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.485 -9.745 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.489 -10.163 -4.763 1.00 0.00 H new ATOM 676 N LEU A 44 3.790 -7.099 -2.674 1.00 0.00 N ATOM 677 CA LEU A 44 3.513 -7.382 -1.283 1.00 0.00 C ATOM 678 C LEU A 44 2.020 -7.608 -1.110 1.00 0.00 C ATOM 679 O LEU A 44 1.220 -6.762 -1.494 1.00 0.00 O ATOM 680 CB LEU A 44 3.950 -6.206 -0.404 1.00 0.00 C ATOM 681 CG LEU A 44 3.897 -6.434 1.110 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.967 -7.422 1.548 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.032 -5.121 1.855 1.00 0.00 C ATOM 0 H LEU A 44 3.256 -6.319 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 44 4.066 -8.272 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.971 -5.938 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.322 -5.348 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 44 2.926 -6.863 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.909 -7.567 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.809 -8.376 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.951 -7.032 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.992 -5.306 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.985 -4.656 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.217 -4.456 1.571 1.00 0.00 H new ATOM 695 N SER A 45 1.649 -8.734 -0.571 1.00 0.00 N ATOM 696 CA SER A 45 0.261 -9.044 -0.342 1.00 0.00 C ATOM 697 C SER A 45 -0.068 -8.821 1.124 1.00 0.00 C ATOM 698 O SER A 45 0.412 -9.551 1.990 1.00 0.00 O ATOM 699 CB SER A 45 -0.008 -10.484 -0.740 1.00 0.00 C ATOM 700 OG SER A 45 0.435 -10.713 -2.072 1.00 0.00 O ATOM 0 H SER A 45 2.297 -9.465 -0.277 1.00 0.00 H new ATOM 0 HA SER A 45 -0.371 -8.393 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.505 -11.160 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.074 -10.699 -0.661 1.00 0.00 H new ATOM 0 HG SER A 45 0.259 -11.645 -2.320 1.00 0.00 H new ATOM 706 N ILE A 46 -0.841 -7.810 1.404 1.00 0.00 N ATOM 707 CA ILE A 46 -1.169 -7.478 2.767 1.00 0.00 C ATOM 708 C ILE A 46 -2.603 -7.875 3.099 1.00 0.00 C ATOM 709 O ILE A 46 -3.373 -8.284 2.212 1.00 0.00 O ATOM 710 CB ILE A 46 -0.937 -5.975 3.088 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.846 -5.073 2.241 1.00 0.00 C ATOM 712 CG2 ILE A 46 0.532 -5.607 2.894 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.726 -3.591 2.555 1.00 0.00 C ATOM 0 H ILE A 46 -1.259 -7.197 0.704 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.489 -8.052 3.396 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.198 -5.811 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.613 -5.229 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.881 -5.381 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.676 -4.551 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.149 -6.210 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.821 -5.797 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.402 -3.027 1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.989 -3.418 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.701 -3.264 2.380 1.00 0.00 H new ATOM 725 N ARG A 47 -2.942 -7.778 4.363 1.00 0.00 N ATOM 726 CA ARG A 47 -4.253 -8.137 4.858 1.00 0.00 C ATOM 727 C ARG A 47 -5.124 -6.879 5.020 1.00 0.00 C ATOM 728 O ARG A 47 -4.665 -5.753 4.772 1.00 0.00 O ATOM 729 CB ARG A 47 -4.112 -8.828 6.218 1.00 0.00 C ATOM 730 CG ARG A 47 -3.183 -10.041 6.235 1.00 0.00 C ATOM 731 CD ARG A 47 -3.675 -11.178 5.354 1.00 0.00 C ATOM 732 NE ARG A 47 -2.763 -12.329 5.418 1.00 0.00 N ATOM 733 CZ ARG A 47 -3.089 -13.613 5.176 1.00 0.00 C ATOM 734 NH1 ARG A 47 -4.332 -13.942 4.809 1.00 0.00 N ATOM 735 NH2 ARG A 47 -2.167 -14.564 5.329 1.00 0.00 N ATOM 0 H ARG A 47 -2.307 -7.443 5.088 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.727 -8.811 4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.747 -8.100 6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.101 -9.142 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.190 -9.736 5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.082 -10.400 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.673 -11.482 5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.759 -10.833 4.323 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.793 -12.137 5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.043 -13.218 4.710 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.569 -14.917 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.224 -14.316 5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.405 -15.539 5.148 1.00 0.00 H new ATOM 749 N GLN A 48 -6.350 -7.078 5.491 1.00 0.00 N ATOM 750 CA GLN A 48 -7.341 -6.002 5.670 1.00 0.00 C ATOM 751 C GLN A 48 -6.848 -4.937 6.654 1.00 0.00 C ATOM 752 O GLN A 48 -6.840 -3.735 6.353 1.00 0.00 O ATOM 753 CB GLN A 48 -8.668 -6.601 6.164 1.00 0.00 C ATOM 754 CG GLN A 48 -9.251 -7.625 5.207 1.00 0.00 C ATOM 755 CD GLN A 48 -9.622 -7.014 3.882 1.00 0.00 C ATOM 756 OE1 GLN A 48 -10.015 -5.864 3.815 1.00 0.00 O ATOM 757 NE2 GLN A 48 -9.443 -7.753 2.822 1.00 0.00 N ATOM 0 H GLN A 48 -6.696 -7.998 5.765 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.491 -5.516 4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.509 -7.069 7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.390 -5.798 6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.528 -8.425 5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.134 -8.079 5.656 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.112 -8.713 2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.634 -7.371 1.896 1.00 0.00 H new ATOM 766 N ASP A 49 -6.389 -5.390 7.806 1.00 0.00 N ATOM 767 CA ASP A 49 -5.901 -4.498 8.868 1.00 0.00 C ATOM 768 C ASP A 49 -4.608 -3.828 8.474 1.00 0.00 C ATOM 769 O ASP A 49 -4.254 -2.770 8.999 1.00 0.00 O ATOM 770 CB ASP A 49 -5.707 -5.237 10.199 1.00 0.00 C ATOM 771 CG ASP A 49 -6.997 -5.705 10.825 1.00 0.00 C ATOM 772 OD1 ASP A 49 -7.652 -4.915 11.519 1.00 0.00 O ATOM 773 OD2 ASP A 49 -7.363 -6.890 10.654 1.00 0.00 O ATOM 0 H ASP A 49 -6.340 -6.381 8.042 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.670 -3.738 9.005 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.059 -6.098 10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.192 -4.579 10.898 1.00 0.00 H new ATOM 778 N ASP A 50 -3.903 -4.423 7.533 1.00 0.00 N ATOM 779 CA ASP A 50 -2.643 -3.860 7.076 1.00 0.00 C ATOM 780 C ASP A 50 -2.885 -2.602 6.298 1.00 0.00 C ATOM 781 O ASP A 50 -2.243 -1.600 6.548 1.00 0.00 O ATOM 782 CB ASP A 50 -1.825 -4.826 6.229 1.00 0.00 C ATOM 783 CG ASP A 50 -1.322 -6.038 6.970 1.00 0.00 C ATOM 784 OD1 ASP A 50 -0.982 -5.941 8.163 1.00 0.00 O ATOM 785 OD2 ASP A 50 -1.218 -7.111 6.358 1.00 0.00 O ATOM 0 H ASP A 50 -4.176 -5.290 7.071 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.063 -3.645 7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.435 -5.157 5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.972 -4.291 5.813 1.00 0.00 H new ATOM 790 N LEU A 51 -3.857 -2.636 5.380 1.00 0.00 N ATOM 791 CA LEU A 51 -4.185 -1.457 4.554 1.00 0.00 C ATOM 792 C LEU A 51 -4.606 -0.303 5.459 1.00 0.00 C ATOM 793 O LEU A 51 -4.252 0.857 5.238 1.00 0.00 O ATOM 794 CB LEU A 51 -5.313 -1.777 3.571 1.00 0.00 C ATOM 795 CG LEU A 51 -5.603 -0.713 2.497 1.00 0.00 C ATOM 796 CD1 LEU A 51 -4.408 -0.545 1.564 1.00 0.00 C ATOM 797 CD2 LEU A 51 -6.851 -1.070 1.701 1.00 0.00 C ATOM 0 H LEU A 51 -4.429 -3.458 5.187 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.300 -1.176 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.073 -2.714 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.226 -1.946 4.141 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.780 0.235 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.636 0.212 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.537 -0.233 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.196 -1.493 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.035 -0.303 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.707 -2.032 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.707 -1.131 2.374 1.00 0.00 H new ATOM 809 N ARG A 52 -5.336 -0.657 6.497 1.00 0.00 N ATOM 810 CA ARG A 52 -5.760 0.274 7.523 1.00 0.00 C ATOM 811 C ARG A 52 -4.550 0.881 8.235 1.00 0.00 C ATOM 812 O ARG A 52 -4.480 2.095 8.438 1.00 0.00 O ATOM 813 CB ARG A 52 -6.666 -0.445 8.514 1.00 0.00 C ATOM 814 CG ARG A 52 -8.084 -0.675 8.013 1.00 0.00 C ATOM 815 CD ARG A 52 -8.831 -1.683 8.878 1.00 0.00 C ATOM 816 NE ARG A 52 -8.567 -1.505 10.312 1.00 0.00 N ATOM 817 CZ ARG A 52 -9.487 -1.501 11.283 1.00 0.00 C ATOM 818 NH1 ARG A 52 -10.782 -1.425 10.989 1.00 0.00 N ATOM 819 NH2 ARG A 52 -9.094 -1.535 12.554 1.00 0.00 N ATOM 0 H ARG A 52 -5.656 -1.613 6.654 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.315 1.089 7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.220 -1.408 8.763 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.708 0.135 9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.626 0.271 8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.053 -1.031 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.902 -1.589 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.544 -2.692 8.582 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.595 -1.373 10.592 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.082 -1.369 10.016 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.475 -1.423 11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.100 -1.564 12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.787 -1.532 13.302 1.00 0.00 H new ATOM 833 N THR A 53 -3.588 0.041 8.565 1.00 0.00 N ATOM 834 CA THR A 53 -2.371 0.470 9.223 1.00 0.00 C ATOM 835 C THR A 53 -1.534 1.409 8.304 1.00 0.00 C ATOM 836 O THR A 53 -0.918 2.368 8.781 1.00 0.00 O ATOM 837 CB THR A 53 -1.551 -0.760 9.695 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.378 -1.557 10.576 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.295 -0.339 10.449 1.00 0.00 C ATOM 0 H THR A 53 -3.630 -0.962 8.383 1.00 0.00 H new ATOM 0 HA THR A 53 -2.640 1.050 10.106 1.00 0.00 H new ATOM 0 HB THR A 53 -1.248 -1.330 8.817 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.997 -2.098 10.043 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.254 -1.226 10.764 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.335 0.266 9.797 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.575 0.245 11.326 1.00 0.00 H new ATOM 847 N LEU A 54 -1.556 1.152 6.988 1.00 0.00 N ATOM 848 CA LEU A 54 -0.893 2.034 6.008 1.00 0.00 C ATOM 849 C LEU A 54 -1.487 3.435 6.040 1.00 0.00 C ATOM 850 O LEU A 54 -0.770 4.435 5.931 1.00 0.00 O ATOM 851 CB LEU A 54 -0.956 1.469 4.575 1.00 0.00 C ATOM 852 CG LEU A 54 0.164 0.502 4.143 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.238 -0.724 5.019 1.00 0.00 C ATOM 854 CD2 LEU A 54 -0.018 0.099 2.697 1.00 0.00 C ATOM 0 H LEU A 54 -2.023 0.344 6.576 1.00 0.00 H new ATOM 0 HA LEU A 54 0.156 2.086 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.909 0.954 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.961 2.310 3.881 1.00 0.00 H new ATOM 0 HG LEU A 54 1.107 1.036 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.043 -1.371 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.432 -0.424 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.708 -1.263 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.780 -0.584 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.981 -0.396 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.016 0.986 2.065 1.00 0.00 H new ATOM 866 N ALA A 55 -2.792 3.504 6.227 1.00 0.00 N ATOM 867 CA ALA A 55 -3.485 4.775 6.316 1.00 0.00 C ATOM 868 C ALA A 55 -3.037 5.531 7.562 1.00 0.00 C ATOM 869 O ALA A 55 -2.850 6.748 7.534 1.00 0.00 O ATOM 870 CB ALA A 55 -4.992 4.561 6.336 1.00 0.00 C ATOM 0 H ALA A 55 -3.397 2.688 6.321 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.236 5.370 5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.496 5.525 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.300 4.054 5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.261 3.950 7.198 1.00 0.00 H new ATOM 876 N VAL A 56 -2.780 4.777 8.625 1.00 0.00 N ATOM 877 CA VAL A 56 -2.386 5.329 9.913 1.00 0.00 C ATOM 878 C VAL A 56 -0.996 5.963 9.822 1.00 0.00 C ATOM 879 O VAL A 56 -0.721 6.952 10.501 1.00 0.00 O ATOM 880 CB VAL A 56 -2.415 4.244 11.046 1.00 0.00 C ATOM 881 CG1 VAL A 56 -1.994 4.827 12.392 1.00 0.00 C ATOM 882 CG2 VAL A 56 -3.799 3.630 11.166 1.00 0.00 C ATOM 0 H VAL A 56 -2.840 3.759 8.616 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.112 6.099 10.174 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.700 3.469 10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.026 4.047 13.152 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.980 5.219 12.317 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.675 5.632 12.669 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.797 2.880 11.957 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.523 4.409 11.406 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.072 3.160 10.221 1.00 0.00 H new ATOM 892 N ILE A 57 -0.148 5.427 8.934 1.00 0.00 N ATOM 893 CA ILE A 57 1.221 5.944 8.740 1.00 0.00 C ATOM 894 C ILE A 57 1.157 7.404 8.326 1.00 0.00 C ATOM 895 O ILE A 57 1.898 8.252 8.829 1.00 0.00 O ATOM 896 CB ILE A 57 2.003 5.172 7.619 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.942 3.664 7.855 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.462 5.640 7.572 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.684 2.833 6.819 1.00 0.00 C ATOM 0 H ILE A 57 -0.383 4.635 8.336 1.00 0.00 H new ATOM 0 HA ILE A 57 1.743 5.812 9.688 1.00 0.00 H new ATOM 0 HB ILE A 57 1.530 5.389 6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.354 3.446 8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.897 3.353 7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.993 5.097 6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.495 6.708 7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.937 5.448 8.534 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.588 1.775 7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.258 3.017 5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.738 3.111 6.817 1.00 0.00 H new ATOM 911 N TYR A 58 0.219 7.697 7.452 1.00 0.00 N ATOM 912 CA TYR A 58 0.104 9.028 6.887 1.00 0.00 C ATOM 913 C TYR A 58 -0.940 9.838 7.633 1.00 0.00 C ATOM 914 O TYR A 58 -1.174 10.998 7.297 1.00 0.00 O ATOM 915 CB TYR A 58 -0.302 8.954 5.410 1.00 0.00 C ATOM 916 CG TYR A 58 0.501 7.992 4.556 1.00 0.00 C ATOM 917 CD1 TYR A 58 1.851 7.760 4.780 1.00 0.00 C ATOM 918 CD2 TYR A 58 -0.110 7.302 3.524 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.555 6.872 3.998 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.600 6.423 2.740 1.00 0.00 C ATOM 921 CZ TYR A 58 1.928 6.216 2.985 1.00 0.00 C ATOM 922 OH TYR A 58 2.644 5.359 2.202 1.00 0.00 O ATOM 0 H TYR A 58 -0.477 7.032 7.115 1.00 0.00 H new ATOM 0 HA TYR A 58 1.078 9.510 6.978 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.353 8.670 5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.218 9.951 4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.356 8.283 5.579 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.161 7.456 3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.603 6.697 4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.109 5.898 1.934 1.00 0.00 H new ATOM 0 HH TYR A 58 2.975 5.836 1.412 1.00 0.00 H new ATOM 932 N ASP A 59 -1.566 9.210 8.642 1.00 0.00 N ATOM 933 CA ASP A 59 -2.659 9.809 9.426 1.00 0.00 C ATOM 934 C ASP A 59 -3.862 10.081 8.542 1.00 0.00 C ATOM 935 O ASP A 59 -4.658 10.992 8.780 1.00 0.00 O ATOM 936 CB ASP A 59 -2.217 11.081 10.157 1.00 0.00 C ATOM 937 CG ASP A 59 -1.239 10.824 11.269 1.00 0.00 C ATOM 938 OD1 ASP A 59 -1.678 10.528 12.401 1.00 0.00 O ATOM 939 OD2 ASP A 59 0.003 10.922 11.050 1.00 0.00 O ATOM 0 H ASP A 59 -1.326 8.264 8.939 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.944 9.087 10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.766 11.766 9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.096 11.580 10.565 1.00 0.00 H new ATOM 944 N GLN A 60 -4.026 9.244 7.561 1.00 0.00 N ATOM 945 CA GLN A 60 -5.088 9.372 6.613 1.00 0.00 C ATOM 946 C GLN A 60 -6.174 8.375 6.905 1.00 0.00 C ATOM 947 O GLN A 60 -5.990 7.442 7.697 1.00 0.00 O ATOM 948 CB GLN A 60 -4.568 9.170 5.183 1.00 0.00 C ATOM 949 CG GLN A 60 -3.643 10.273 4.701 1.00 0.00 C ATOM 950 CD GLN A 60 -4.323 11.625 4.699 1.00 0.00 C ATOM 951 OE1 GLN A 60 -5.533 11.724 4.518 1.00 0.00 O ATOM 952 NE2 GLN A 60 -3.565 12.661 4.884 1.00 0.00 N ATOM 0 H GLN A 60 -3.417 8.443 7.396 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.497 10.379 6.697 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.040 8.218 5.131 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.418 9.101 4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.761 10.312 5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.296 10.041 3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.563 12.540 5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.971 13.597 4.882 1.00 0.00 H new ATOM 961 N SER A 61 -7.290 8.571 6.289 1.00 0.00 N ATOM 962 CA SER A 61 -8.381 7.668 6.400 1.00 0.00 C ATOM 963 C SER A 61 -8.227 6.613 5.303 1.00 0.00 C ATOM 964 O SER A 61 -7.762 6.936 4.188 1.00 0.00 O ATOM 965 CB SER A 61 -9.694 8.444 6.258 1.00 0.00 C ATOM 966 OG SER A 61 -10.832 7.601 6.299 1.00 0.00 O ATOM 0 H SER A 61 -7.471 9.374 5.687 1.00 0.00 H new ATOM 0 HA SER A 61 -8.394 7.173 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.764 9.182 7.057 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.687 8.993 5.317 1.00 0.00 H new ATOM 0 HG SER A 61 -11.644 8.142 6.206 1.00 0.00 H new ATOM 972 N PRO A 62 -8.576 5.339 5.594 1.00 0.00 N ATOM 973 CA PRO A 62 -8.448 4.228 4.644 1.00 0.00 C ATOM 974 C PRO A 62 -9.149 4.488 3.302 1.00 0.00 C ATOM 975 O PRO A 62 -8.717 3.979 2.271 1.00 0.00 O ATOM 976 CB PRO A 62 -9.094 3.031 5.369 1.00 0.00 C ATOM 977 CG PRO A 62 -9.827 3.617 6.533 1.00 0.00 C ATOM 978 CD PRO A 62 -9.097 4.872 6.895 1.00 0.00 C ATOM 0 HA PRO A 62 -7.403 4.065 4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.773 2.492 4.708 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.339 2.318 5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.864 3.831 6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.846 2.921 7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.760 5.607 7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.294 4.681 7.607 1.00 0.00 H new ATOM 986 N SER A 63 -10.187 5.310 3.320 1.00 0.00 N ATOM 987 CA SER A 63 -10.955 5.620 2.133 1.00 0.00 C ATOM 988 C SER A 63 -10.095 6.372 1.084 1.00 0.00 C ATOM 989 O SER A 63 -9.926 5.895 -0.036 1.00 0.00 O ATOM 990 CB SER A 63 -12.184 6.427 2.539 1.00 0.00 C ATOM 991 OG SER A 63 -12.861 5.784 3.621 1.00 0.00 O ATOM 0 H SER A 63 -10.518 5.780 4.163 1.00 0.00 H new ATOM 0 HA SER A 63 -11.279 4.694 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.886 7.433 2.833 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.858 6.530 1.688 1.00 0.00 H new ATOM 0 HG SER A 63 -13.647 6.311 3.875 1.00 0.00 H new ATOM 997 N VAL A 64 -9.506 7.513 1.463 1.00 0.00 N ATOM 998 CA VAL A 64 -8.659 8.272 0.531 1.00 0.00 C ATOM 999 C VAL A 64 -7.359 7.497 0.252 1.00 0.00 C ATOM 1000 O VAL A 64 -6.748 7.617 -0.821 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.339 9.720 1.057 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.515 9.703 2.341 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -7.656 10.564 -0.014 1.00 0.00 C ATOM 0 H VAL A 64 -9.597 7.926 2.391 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.216 8.390 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.297 10.182 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.321 10.726 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.066 9.176 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.568 9.194 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.449 11.558 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.720 10.089 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.310 10.649 -0.882 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.977 6.671 1.213 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.782 5.867 1.117 1.00 0.00 C ATOM 1015 C LEU A 65 -5.935 4.847 -0.017 1.00 0.00 C ATOM 1016 O LEU A 65 -5.118 4.816 -0.937 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.498 5.201 2.497 1.00 0.00 C ATOM 1018 CG LEU A 65 -4.162 4.434 2.717 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.135 3.085 2.021 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.976 5.282 2.289 1.00 0.00 C ATOM 0 H LEU A 65 -7.494 6.543 2.083 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.920 6.487 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.555 5.983 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.312 4.504 2.697 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.089 4.237 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.179 2.597 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.943 2.462 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.264 3.227 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.053 4.725 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.069 5.530 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.954 6.200 2.876 1.00 0.00 H new ATOM 1032 N THR A 66 -7.009 4.068 0.014 1.00 0.00 N ATOM 1033 CA THR A 66 -7.214 3.044 -0.988 1.00 0.00 C ATOM 1034 C THR A 66 -7.429 3.659 -2.379 1.00 0.00 C ATOM 1035 O THR A 66 -7.009 3.074 -3.379 1.00 0.00 O ATOM 1036 CB THR A 66 -8.364 2.047 -0.620 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.435 0.979 -1.579 1.00 0.00 O ATOM 1038 CG2 THR A 66 -9.715 2.739 -0.549 1.00 0.00 C ATOM 0 H THR A 66 -7.744 4.129 0.719 1.00 0.00 H new ATOM 0 HA THR A 66 -6.297 2.455 -1.015 1.00 0.00 H new ATOM 0 HB THR A 66 -8.129 1.645 0.366 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.158 0.365 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.484 2.011 -0.291 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.685 3.519 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.947 3.184 -1.517 1.00 0.00 H new ATOM 1046 N GLU A 67 -8.035 4.847 -2.430 1.00 0.00 N ATOM 1047 CA GLU A 67 -8.246 5.535 -3.693 1.00 0.00 C ATOM 1048 C GLU A 67 -6.924 5.901 -4.337 1.00 0.00 C ATOM 1049 O GLU A 67 -6.729 5.675 -5.531 1.00 0.00 O ATOM 1050 CB GLU A 67 -9.131 6.767 -3.532 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.578 6.440 -3.205 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.210 5.554 -4.256 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.261 5.951 -5.440 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -11.694 4.461 -3.922 1.00 0.00 O ATOM 0 H GLU A 67 -8.385 5.346 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.771 4.844 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.722 7.396 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.098 7.350 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.628 5.944 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.148 7.365 -3.120 1.00 0.00 H new ATOM 1061 N GLN A 68 -6.002 6.427 -3.543 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.690 6.746 -4.041 1.00 0.00 C ATOM 1063 C GLN A 68 -3.964 5.494 -4.485 1.00 0.00 C ATOM 1064 O GLN A 68 -3.431 5.450 -5.570 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.869 7.505 -3.026 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.276 8.953 -2.847 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.256 9.727 -2.047 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -2.319 10.303 -2.607 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -3.416 9.758 -0.754 1.00 0.00 N ATOM 0 H GLN A 68 -6.146 6.638 -2.556 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.823 7.397 -4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.944 6.998 -2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.821 7.469 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.401 9.419 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.243 9.000 -2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.203 9.270 -0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.755 10.270 -0.170 1.00 0.00 H new ATOM 1078 N LEU A 69 -4.006 4.469 -3.657 1.00 0.00 N ATOM 1079 CA LEU A 69 -3.390 3.167 -3.965 1.00 0.00 C ATOM 1080 C LEU A 69 -3.853 2.610 -5.328 1.00 0.00 C ATOM 1081 O LEU A 69 -3.042 2.106 -6.120 1.00 0.00 O ATOM 1082 CB LEU A 69 -3.675 2.159 -2.833 1.00 0.00 C ATOM 1083 CG LEU A 69 -2.667 2.083 -1.655 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -1.401 1.387 -2.090 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -2.316 3.460 -1.114 1.00 0.00 C ATOM 0 H LEU A 69 -4.466 4.502 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.314 3.323 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.656 2.391 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.743 1.167 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.151 1.516 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.705 1.342 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.637 0.376 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.946 1.940 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.608 3.358 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.867 4.059 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.220 3.952 -0.756 1.00 0.00 H new ATOM 1097 N ILE A 70 -5.127 2.722 -5.613 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.648 2.257 -6.887 1.00 0.00 C ATOM 1099 C ILE A 70 -5.267 3.239 -8.012 1.00 0.00 C ATOM 1100 O ILE A 70 -4.927 2.830 -9.116 1.00 0.00 O ATOM 1101 CB ILE A 70 -7.192 2.065 -6.834 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.557 1.035 -5.753 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.738 1.622 -8.196 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -9.045 0.860 -5.535 1.00 0.00 C ATOM 0 H ILE A 70 -5.824 3.128 -4.988 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.199 1.286 -7.098 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.648 3.023 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.126 0.072 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.097 1.335 -4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.819 1.495 -8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.506 2.379 -8.945 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.278 0.676 -8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.214 0.116 -4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.482 1.811 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.512 0.527 -6.462 1.00 0.00 H new ATOM 1116 N SER A 71 -5.265 4.524 -7.703 1.00 0.00 N ATOM 1117 CA SER A 71 -4.984 5.542 -8.691 1.00 0.00 C ATOM 1118 C SER A 71 -3.488 5.593 -9.074 1.00 0.00 C ATOM 1119 O SER A 71 -3.152 5.939 -10.211 1.00 0.00 O ATOM 1120 CB SER A 71 -5.492 6.917 -8.223 1.00 0.00 C ATOM 1121 OG SER A 71 -5.421 7.885 -9.269 1.00 0.00 O ATOM 0 H SER A 71 -5.457 4.885 -6.769 1.00 0.00 H new ATOM 0 HA SER A 71 -5.527 5.269 -9.596 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.522 6.827 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.900 7.255 -7.373 1.00 0.00 H new ATOM 0 HG SER A 71 -5.752 8.747 -8.940 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.594 5.248 -8.142 1.00 0.00 N ATOM 1128 CA TRP A 72 -1.152 5.211 -8.443 1.00 0.00 C ATOM 1129 C TRP A 72 -0.845 3.999 -9.320 1.00 0.00 C ATOM 1130 O TRP A 72 0.224 3.905 -9.936 1.00 0.00 O ATOM 1131 CB TRP A 72 -0.293 5.097 -7.173 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.446 6.172 -6.129 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.915 7.447 -6.281 1.00 0.00 C ATOM 1134 CD2 TRP A 72 -0.077 6.044 -4.755 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.878 8.106 -5.070 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.361 7.263 -4.122 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.459 5.001 -4.003 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 -0.121 7.469 -2.763 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.700 5.203 -2.662 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.409 6.427 -2.051 1.00 0.00 C ATOM 0 H TRP A 72 -2.835 4.993 -7.184 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.909 6.146 -8.949 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.514 4.139 -6.703 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.754 5.070 -7.477 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.262 7.874 -7.210 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.185 9.065 -4.907 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.682 4.050 -4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.345 8.414 -2.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.121 4.402 -2.072 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.606 6.552 -0.997 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.785 3.068 -9.350 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.631 1.872 -10.137 1.00 0.00 C ATOM 1153 C GLY A 73 -0.844 0.823 -9.401 1.00 0.00 C ATOM 1154 O GLY A 73 -0.198 -0.019 -10.006 1.00 0.00 O ATOM 0 H GLY A 73 -2.663 3.125 -8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.613 1.476 -10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.129 2.114 -11.074 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.864 0.892 -8.095 1.00 0.00 N ATOM 1159 CA VAL A 74 -0.148 -0.076 -7.285 1.00 0.00 C ATOM 1160 C VAL A 74 -1.100 -1.128 -6.725 1.00 0.00 C ATOM 1161 O VAL A 74 -0.726 -2.297 -6.556 1.00 0.00 O ATOM 1162 CB VAL A 74 0.693 0.608 -6.154 1.00 0.00 C ATOM 1163 CG1 VAL A 74 -0.133 1.578 -5.359 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.297 -0.418 -5.217 1.00 0.00 C ATOM 0 H VAL A 74 -1.365 1.605 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 74 0.564 -0.584 -7.936 1.00 0.00 H new ATOM 0 HB VAL A 74 1.495 1.154 -6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.485 2.032 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.517 2.356 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.967 1.051 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.874 0.090 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.501 -0.999 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.951 -1.084 -5.780 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.319 -0.733 -6.468 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.290 -1.636 -5.937 1.00 0.00 C ATOM 1176 C LEU A 75 -4.333 -1.926 -7.005 1.00 0.00 C ATOM 1177 O LEU A 75 -4.620 -1.066 -7.852 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.931 -1.037 -4.680 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.894 -1.934 -3.901 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.171 -3.165 -3.363 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.552 -1.158 -2.768 1.00 0.00 C ATOM 0 H LEU A 75 -2.659 0.216 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.812 -2.573 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.132 -0.730 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.468 -0.134 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.674 -2.270 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.875 -3.789 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.755 -3.734 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.366 -2.852 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.233 -1.814 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.785 -0.788 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.109 -0.316 -3.179 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.850 -3.138 -6.996 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.862 -3.562 -7.956 1.00 0.00 C ATOM 1195 C ASP A 76 -7.164 -2.801 -7.721 1.00 0.00 C ATOM 1196 O ASP A 76 -7.469 -2.425 -6.591 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.102 -5.079 -7.857 1.00 0.00 C ATOM 1198 CG ASP A 76 -7.128 -5.590 -8.855 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -8.326 -5.609 -8.545 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -6.751 -5.994 -9.970 1.00 0.00 O ATOM 0 H ASP A 76 -4.584 -3.860 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.502 -3.337 -8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.158 -5.601 -8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.434 -5.323 -6.848 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.907 -2.575 -8.779 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.161 -1.842 -8.731 1.00 0.00 C ATOM 1207 C ALA A 77 -10.194 -2.512 -7.818 1.00 0.00 C ATOM 1208 O ALA A 77 -10.808 -1.856 -7.004 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.720 -1.683 -10.132 1.00 0.00 C ATOM 0 H ALA A 77 -7.658 -2.898 -9.714 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.950 -0.860 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.660 -1.133 -10.088 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.007 -1.135 -10.748 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.895 -2.667 -10.568 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.309 -3.831 -7.911 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.312 -4.618 -7.156 1.00 0.00 C ATOM 1217 C ASP A 78 -11.002 -4.656 -5.679 1.00 0.00 C ATOM 1218 O ASP A 78 -11.886 -4.903 -4.839 1.00 0.00 O ATOM 1219 CB ASP A 78 -11.442 -6.047 -7.708 1.00 0.00 C ATOM 1220 CG ASP A 78 -12.243 -6.136 -8.989 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -11.814 -5.580 -10.042 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -13.302 -6.807 -8.991 1.00 0.00 O ATOM 0 H ASP A 78 -9.712 -4.400 -8.512 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.268 -4.111 -7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.445 -6.450 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.911 -6.677 -6.952 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.751 -4.377 -5.361 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.255 -4.339 -3.992 1.00 0.00 C ATOM 1229 C ALA A 79 -10.028 -3.326 -3.142 1.00 0.00 C ATOM 1230 O ALA A 79 -10.070 -3.446 -1.928 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.779 -4.047 -3.973 1.00 0.00 C ATOM 0 H ALA A 79 -9.036 -4.166 -6.057 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.416 -5.322 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.426 -4.022 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.247 -4.825 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.593 -3.081 -4.443 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.631 -2.332 -3.813 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.492 -1.282 -3.205 1.00 0.00 C ATOM 1239 C ARG A 80 -12.475 -1.846 -2.157 1.00 0.00 C ATOM 1240 O ARG A 80 -12.795 -1.182 -1.169 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.306 -0.595 -4.321 1.00 0.00 C ATOM 1242 CG ARG A 80 -13.138 -1.575 -5.158 1.00 0.00 C ATOM 1243 CD ARG A 80 -13.855 -0.905 -6.307 1.00 0.00 C ATOM 1244 NE ARG A 80 -14.966 -0.060 -5.857 1.00 0.00 N ATOM 1245 CZ ARG A 80 -15.649 0.784 -6.639 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -15.173 1.133 -7.830 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -16.775 1.318 -6.202 1.00 0.00 N ATOM 0 H ARG A 80 -10.536 -2.226 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.833 -0.578 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.970 0.144 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.624 -0.055 -4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.486 -2.356 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.870 -2.064 -4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.146 -0.298 -6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.234 -1.666 -6.988 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.238 -0.120 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.282 0.757 -8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.699 1.777 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.121 1.087 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.298 1.962 -6.796 1.00 0.00 H new ATOM 1261 N ARG A 81 -12.910 -3.084 -2.360 1.00 0.00 N ATOM 1262 CA ARG A 81 -13.906 -3.706 -1.507 1.00 0.00 C ATOM 1263 C ARG A 81 -13.359 -4.079 -0.140 1.00 0.00 C ATOM 1264 O ARG A 81 -14.133 -4.334 0.770 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.514 -4.921 -2.190 1.00 0.00 C ATOM 1266 CG ARG A 81 -15.188 -4.577 -3.489 1.00 0.00 C ATOM 1267 CD ARG A 81 -15.759 -5.792 -4.176 1.00 0.00 C ATOM 1268 NE ARG A 81 -16.309 -5.422 -5.474 1.00 0.00 N ATOM 1269 CZ ARG A 81 -15.762 -5.738 -6.653 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -14.670 -6.491 -6.709 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -16.315 -5.303 -7.768 1.00 0.00 N ATOM 0 H ARG A 81 -12.581 -3.680 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.686 -2.963 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.733 -5.658 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.239 -5.385 -1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.986 -3.859 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.471 -4.092 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.982 -6.546 -4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.537 -6.238 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.175 -4.882 -5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.242 -6.833 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.259 -6.727 -7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.157 -4.728 -7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.901 -5.542 -8.669 1.00 0.00 H new