USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 529 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 41 SER OG : rot 180:sc= 0.175 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 160:sc= 0.796 (180deg=0.138) USER MOD Single : A 8 ASN : amide:sc= -0.244 K(o=-0.24,f=-4.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -5.56! C(o=-5.6!,f=-14!) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= -3.8! (180deg=-5.96!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.492 USER MOD Single : A 27 TYR OH : rot -118:sc= 0.00624 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -3.38 (180deg=-3.66!) USER MOD Single : A 29 TYR OH : rot 128:sc= 0.849 USER MOD Single : A 32 SER OG : rot -49:sc= 0.401 USER MOD Single : A 37 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.66) USER MOD Single : A 40 TYR OH : rot 66:sc= 1.52 USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= -5.25! (180deg=-5.84!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 54 LYS NZ :NH3+ -133:sc= -2.51 (180deg=-5.36!) USER MOD Single : A 59 SER OG : rot 83:sc= -5.46! USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.832 -4.107 11.117 1.00 0.00 N ATOM 63 CA ARG A 6 12.356 -3.269 12.265 1.00 0.00 C ATOM 64 C ARG A 6 11.563 -2.075 11.731 1.00 0.00 C ATOM 65 O ARG A 6 11.523 -1.824 10.543 1.00 0.00 O ATOM 66 CB ARG A 6 13.566 -2.761 13.058 1.00 0.00 C ATOM 67 CG ARG A 6 14.341 -3.953 13.675 1.00 0.00 C ATOM 68 CD ARG A 6 14.789 -3.614 15.100 1.00 0.00 C ATOM 69 NE ARG A 6 15.793 -4.615 15.558 1.00 0.00 N ATOM 70 CZ ARG A 6 16.521 -4.375 16.614 1.00 0.00 C ATOM 71 NH1 ARG A 6 16.381 -3.251 17.261 1.00 0.00 N ATOM 72 NH2 ARG A 6 17.389 -5.260 17.021 1.00 0.00 N ATOM 0 HA ARG A 6 11.718 -3.869 12.914 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.224 -2.189 12.404 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.235 -2.085 13.847 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.708 -4.840 13.687 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.209 -4.189 13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.219 -2.613 15.129 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.930 -3.611 15.771 1.00 0.00 H new ATOM 0 HE ARG A 6 15.911 -5.489 15.046 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.702 -2.560 16.941 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.950 -3.063 18.086 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.498 -6.138 16.514 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.959 -5.074 17.846 1.00 0.00 H new ATOM 86 N ASP A 7 10.930 -1.337 12.603 1.00 0.00 N ATOM 87 CA ASP A 7 10.136 -0.157 12.154 1.00 0.00 C ATOM 88 C ASP A 7 11.071 1.044 11.959 1.00 0.00 C ATOM 89 O ASP A 7 12.277 0.902 11.907 1.00 0.00 O ATOM 90 CB ASP A 7 9.066 0.163 13.211 1.00 0.00 C ATOM 91 CG ASP A 7 9.615 -0.145 14.607 1.00 0.00 C ATOM 92 OD1 ASP A 7 10.012 -1.276 14.831 1.00 0.00 O ATOM 93 OD2 ASP A 7 9.623 0.756 15.429 1.00 0.00 O ATOM 0 H ASP A 7 10.929 -1.501 13.610 1.00 0.00 H new ATOM 0 HA ASP A 7 9.645 -0.377 11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.778 1.212 13.146 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.168 -0.426 13.024 1.00 0.00 H new ATOM 98 N ASN A 8 10.524 2.225 11.842 1.00 0.00 N ATOM 99 CA ASN A 8 11.379 3.431 11.639 1.00 0.00 C ATOM 100 C ASN A 8 12.016 3.853 12.966 1.00 0.00 C ATOM 101 O ASN A 8 12.829 4.755 13.011 1.00 0.00 O ATOM 102 CB ASN A 8 10.517 4.577 11.100 1.00 0.00 C ATOM 103 CG ASN A 8 9.593 4.049 10.000 1.00 0.00 C ATOM 104 OD1 ASN A 8 9.930 3.109 9.308 1.00 0.00 O ATOM 105 ND2 ASN A 8 8.434 4.618 9.810 1.00 0.00 N ATOM 0 H ASN A 8 9.521 2.407 11.878 1.00 0.00 H new ATOM 0 HA ASN A 8 12.168 3.195 10.925 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.927 5.013 11.907 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.153 5.370 10.706 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.810 4.274 9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.152 5.407 10.391 1.00 0.00 H new ATOM 112 N ARG A 9 11.655 3.210 14.048 1.00 0.00 N ATOM 113 CA ARG A 9 12.237 3.570 15.380 1.00 0.00 C ATOM 114 C ARG A 9 13.270 2.517 15.784 1.00 0.00 C ATOM 115 O ARG A 9 14.393 2.520 15.316 1.00 0.00 O ATOM 116 CB ARG A 9 11.118 3.605 16.430 1.00 0.00 C ATOM 117 CG ARG A 9 10.176 4.797 16.169 1.00 0.00 C ATOM 118 CD ARG A 9 10.704 6.053 16.872 1.00 0.00 C ATOM 119 NE ARG A 9 10.274 6.038 18.299 1.00 0.00 N ATOM 120 CZ ARG A 9 10.845 6.835 19.161 1.00 0.00 C ATOM 121 NH1 ARG A 9 11.790 7.646 18.772 1.00 0.00 N ATOM 122 NH2 ARG A 9 10.470 6.818 20.411 1.00 0.00 N ATOM 0 H ARG A 9 10.979 2.447 14.067 1.00 0.00 H new ATOM 0 HA ARG A 9 12.714 4.548 15.317 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.553 2.673 16.401 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.549 3.685 17.428 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.095 4.978 15.097 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.174 4.564 16.529 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.792 6.089 16.809 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.326 6.947 16.376 1.00 0.00 H new ATOM 0 HE ARG A 9 9.534 5.405 18.602 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.082 7.657 17.795 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.236 8.269 19.445 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.732 6.183 20.713 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.915 7.440 21.086 1.00 0.00 H new ATOM 136 N GLY A 10 12.900 1.613 16.649 1.00 0.00 N ATOM 137 CA GLY A 10 13.856 0.556 17.086 1.00 0.00 C ATOM 138 C GLY A 10 13.072 -0.626 17.653 1.00 0.00 C ATOM 139 O GLY A 10 13.623 -1.518 18.266 1.00 0.00 O ATOM 0 H GLY A 10 11.974 1.561 17.073 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.468 0.232 16.244 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.536 0.953 17.840 1.00 0.00 H new ATOM 143 N ARG A 11 11.783 -0.639 17.449 1.00 0.00 N ATOM 144 CA ARG A 11 10.948 -1.754 17.964 1.00 0.00 C ATOM 145 C ARG A 11 10.986 -2.905 16.962 1.00 0.00 C ATOM 146 O ARG A 11 11.754 -2.886 16.024 1.00 0.00 O ATOM 147 CB ARG A 11 9.510 -1.263 18.128 1.00 0.00 C ATOM 148 CG ARG A 11 9.448 -0.235 19.267 1.00 0.00 C ATOM 149 CD ARG A 11 8.150 0.575 19.174 1.00 0.00 C ATOM 150 NE ARG A 11 8.022 1.147 17.803 1.00 0.00 N ATOM 151 CZ ARG A 11 6.898 1.684 17.417 1.00 0.00 C ATOM 152 NH1 ARG A 11 5.888 1.754 18.241 1.00 0.00 N ATOM 153 NH2 ARG A 11 6.784 2.155 16.205 1.00 0.00 N ATOM 0 H ARG A 11 11.271 0.083 16.943 1.00 0.00 H new ATOM 0 HA ARG A 11 11.328 -2.096 18.927 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.159 -0.814 17.199 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.850 -2.103 18.345 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.501 -0.743 20.230 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.308 0.433 19.212 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.294 -0.062 19.396 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.153 1.374 19.915 1.00 0.00 H new ATOM 0 HE ARG A 11 8.817 1.118 17.164 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.977 1.388 19.189 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.010 2.174 17.937 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.573 2.103 15.561 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.905 2.575 15.902 1.00 0.00 H new ATOM 167 N ILE A 12 10.160 -3.902 17.147 1.00 0.00 N ATOM 168 CA ILE A 12 10.143 -5.066 16.199 1.00 0.00 C ATOM 169 C ILE A 12 8.725 -5.297 15.684 1.00 0.00 C ATOM 170 O ILE A 12 7.909 -5.906 16.347 1.00 0.00 O ATOM 171 CB ILE A 12 10.598 -6.337 16.924 1.00 0.00 C ATOM 172 CG1 ILE A 12 12.025 -6.147 17.494 1.00 0.00 C ATOM 173 CG2 ILE A 12 10.556 -7.518 15.940 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.096 -6.453 16.434 1.00 0.00 C ATOM 0 H ILE A 12 9.492 -3.964 17.916 1.00 0.00 H new ATOM 0 HA ILE A 12 10.814 -4.844 15.369 1.00 0.00 H new ATOM 0 HB ILE A 12 9.928 -6.543 17.759 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.144 -5.123 17.849 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.165 -6.801 18.355 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.879 -8.427 16.448 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.538 -7.649 15.573 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.221 -7.316 15.101 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.087 -6.310 16.866 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.992 -7.485 16.099 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.970 -5.781 15.585 1.00 0.00 H new ATOM 186 N LEU A 13 8.429 -4.851 14.495 1.00 0.00 N ATOM 187 CA LEU A 13 7.069 -5.087 13.936 1.00 0.00 C ATOM 188 C LEU A 13 7.071 -6.468 13.278 1.00 0.00 C ATOM 189 O LEU A 13 8.113 -7.040 13.033 1.00 0.00 O ATOM 190 CB LEU A 13 6.707 -3.973 12.937 1.00 0.00 C ATOM 191 CG LEU A 13 7.426 -4.167 11.603 1.00 0.00 C ATOM 192 CD1 LEU A 13 7.063 -3.011 10.666 1.00 0.00 C ATOM 193 CD2 LEU A 13 8.943 -4.183 11.825 1.00 0.00 C ATOM 0 H LEU A 13 9.067 -4.336 13.889 1.00 0.00 H new ATOM 0 HA LEU A 13 6.312 -5.064 14.720 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.629 -3.965 12.774 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.973 -3.004 13.358 1.00 0.00 H new ATOM 0 HG LEU A 13 7.119 -5.115 11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.573 -3.143 9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.985 -2.999 10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.372 -2.067 11.115 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.449 -4.322 10.870 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.256 -3.237 12.267 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.204 -5.001 12.496 1.00 0.00 H new ATOM 205 N LYS A 14 5.924 -7.034 13.020 1.00 0.00 N ATOM 206 CA LYS A 14 5.894 -8.401 12.415 1.00 0.00 C ATOM 207 C LYS A 14 5.917 -8.313 10.885 1.00 0.00 C ATOM 208 O LYS A 14 5.652 -7.280 10.302 1.00 0.00 O ATOM 209 CB LYS A 14 4.619 -9.123 12.868 1.00 0.00 C ATOM 210 CG LYS A 14 4.607 -9.252 14.405 1.00 0.00 C ATOM 211 CD LYS A 14 5.393 -10.507 14.849 1.00 0.00 C ATOM 212 CE LYS A 14 6.027 -10.273 16.226 1.00 0.00 C ATOM 213 NZ LYS A 14 6.650 -11.538 16.708 1.00 0.00 N ATOM 0 H LYS A 14 5.011 -6.615 13.199 1.00 0.00 H new ATOM 0 HA LYS A 14 6.773 -8.954 12.744 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.740 -8.572 12.534 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.568 -10.111 12.411 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.048 -8.362 14.854 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.579 -9.314 14.763 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.726 -11.368 14.889 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.168 -10.738 14.118 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.779 -9.486 16.163 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.270 -9.935 16.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.080 -11.379 17.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.922 -12.277 16.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.384 -11.842 16.036 1.00 0.00 H new ATOM 227 N THR A 15 6.233 -9.403 10.236 1.00 0.00 N ATOM 228 CA THR A 15 6.281 -9.415 8.744 1.00 0.00 C ATOM 229 C THR A 15 5.006 -8.791 8.181 1.00 0.00 C ATOM 230 O THR A 15 5.050 -7.890 7.370 1.00 0.00 O ATOM 231 CB THR A 15 6.397 -10.862 8.259 1.00 0.00 C ATOM 232 OG1 THR A 15 7.540 -11.467 8.846 1.00 0.00 O ATOM 233 CG2 THR A 15 6.534 -10.881 6.737 1.00 0.00 C ATOM 0 H THR A 15 6.462 -10.293 10.680 1.00 0.00 H new ATOM 0 HA THR A 15 7.142 -8.840 8.403 1.00 0.00 H new ATOM 0 HB THR A 15 5.504 -11.415 8.549 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.614 -12.394 8.537 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.617 -11.912 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.656 -10.417 6.287 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.427 -10.328 6.445 1.00 0.00 H new ATOM 241 N GLY A 16 3.870 -9.266 8.604 1.00 0.00 N ATOM 242 CA GLY A 16 2.582 -8.709 8.096 1.00 0.00 C ATOM 243 C GLY A 16 2.646 -7.178 8.072 1.00 0.00 C ATOM 244 O GLY A 16 2.079 -6.534 7.211 1.00 0.00 O ATOM 0 H GLY A 16 3.775 -10.021 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.382 -9.089 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.759 -9.037 8.731 1.00 0.00 H new ATOM 248 N GLU A 17 3.335 -6.596 9.014 1.00 0.00 N ATOM 249 CA GLU A 17 3.451 -5.109 9.065 1.00 0.00 C ATOM 250 C GLU A 17 4.624 -4.652 8.194 1.00 0.00 C ATOM 251 O GLU A 17 5.518 -5.417 7.888 1.00 0.00 O ATOM 252 CB GLU A 17 3.698 -4.672 10.516 1.00 0.00 C ATOM 253 CG GLU A 17 2.846 -5.521 11.460 1.00 0.00 C ATOM 254 CD GLU A 17 1.387 -5.445 11.023 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.016 -4.429 10.463 1.00 0.00 O ATOM 256 OE2 GLU A 17 0.670 -6.406 11.246 1.00 0.00 O ATOM 0 H GLU A 17 3.828 -7.090 9.758 1.00 0.00 H new ATOM 0 HA GLU A 17 2.529 -4.661 8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.754 -4.782 10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.450 -3.617 10.636 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.189 -6.556 11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.950 -5.163 12.484 1.00 0.00 H new ATOM 263 N SER A 18 4.629 -3.409 7.797 1.00 0.00 N ATOM 264 CA SER A 18 5.744 -2.901 6.952 1.00 0.00 C ATOM 265 C SER A 18 5.684 -1.373 6.884 1.00 0.00 C ATOM 266 O SER A 18 4.814 -0.748 7.459 1.00 0.00 O ATOM 267 CB SER A 18 5.620 -3.480 5.542 1.00 0.00 C ATOM 268 OG SER A 18 4.440 -2.974 4.929 1.00 0.00 O ATOM 0 H SER A 18 3.908 -2.723 8.022 1.00 0.00 H new ATOM 0 HA SER A 18 6.695 -3.206 7.388 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.495 -3.214 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.583 -4.569 5.585 1.00 0.00 H new ATOM 0 HG SER A 18 4.358 -3.342 4.024 1.00 0.00 H new ATOM 274 N GLN A 19 6.610 -0.768 6.182 1.00 0.00 N ATOM 275 CA GLN A 19 6.634 0.723 6.058 1.00 0.00 C ATOM 276 C GLN A 19 6.885 1.085 4.589 1.00 0.00 C ATOM 277 O GLN A 19 7.619 0.407 3.896 1.00 0.00 O ATOM 278 CB GLN A 19 7.756 1.273 6.963 1.00 0.00 C ATOM 279 CG GLN A 19 8.230 2.664 6.487 1.00 0.00 C ATOM 280 CD GLN A 19 9.366 2.511 5.467 1.00 0.00 C ATOM 281 OE1 GLN A 19 9.126 2.393 4.283 1.00 0.00 O ATOM 282 NE2 GLN A 19 10.602 2.503 5.884 1.00 0.00 N ATOM 0 H GLN A 19 7.359 -1.249 5.684 1.00 0.00 H new ATOM 0 HA GLN A 19 5.686 1.161 6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.397 1.340 7.990 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.598 0.580 6.964 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.398 3.207 6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.572 3.252 7.339 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.805 2.602 6.879 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.365 2.398 5.215 1.00 0.00 H new ATOM 291 N ARG A 20 6.267 2.140 4.105 1.00 0.00 N ATOM 292 CA ARG A 20 6.452 2.540 2.669 1.00 0.00 C ATOM 293 C ARG A 20 7.282 3.824 2.566 1.00 0.00 C ATOM 294 O ARG A 20 7.912 4.255 3.511 1.00 0.00 O ATOM 295 CB ARG A 20 5.082 2.769 2.026 1.00 0.00 C ATOM 296 CG ARG A 20 4.272 3.758 2.865 1.00 0.00 C ATOM 297 CD ARG A 20 2.981 4.109 2.125 1.00 0.00 C ATOM 298 NE ARG A 20 3.302 4.897 0.902 1.00 0.00 N ATOM 299 CZ ARG A 20 2.405 5.041 -0.035 1.00 0.00 C ATOM 300 NH1 ARG A 20 1.225 4.501 0.103 1.00 0.00 N ATOM 301 NH2 ARG A 20 2.687 5.725 -1.110 1.00 0.00 N ATOM 0 H ARG A 20 5.642 2.741 4.642 1.00 0.00 H new ATOM 0 HA ARG A 20 6.980 1.741 2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.205 3.153 1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.546 1.823 1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.041 3.324 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.856 4.660 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.447 3.198 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.321 4.683 2.776 1.00 0.00 H new ATOM 0 HE ARG A 20 4.222 5.324 0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.004 3.966 0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.524 4.613 -0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.609 6.148 -1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.985 5.837 -1.842 1.00 0.00 H new ATOM 315 N LYS A 21 7.294 4.423 1.406 1.00 0.00 N ATOM 316 CA LYS A 21 8.092 5.668 1.192 1.00 0.00 C ATOM 317 C LYS A 21 7.551 6.809 2.060 1.00 0.00 C ATOM 318 O LYS A 21 8.254 7.753 2.362 1.00 0.00 O ATOM 319 CB LYS A 21 8.004 6.068 -0.289 1.00 0.00 C ATOM 320 CG LYS A 21 8.469 4.896 -1.191 1.00 0.00 C ATOM 321 CD LYS A 21 7.717 4.901 -2.532 1.00 0.00 C ATOM 322 CE LYS A 21 8.201 6.065 -3.397 1.00 0.00 C ATOM 323 NZ LYS A 21 7.918 7.355 -2.707 1.00 0.00 N ATOM 0 H LYS A 21 6.779 4.100 0.587 1.00 0.00 H new ATOM 0 HA LYS A 21 9.129 5.479 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.979 6.343 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.624 6.946 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.541 4.974 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.300 3.949 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.879 3.958 -3.053 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.645 4.988 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.270 5.970 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.702 6.043 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.773 8.103 -3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.061 7.257 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.722 7.606 -2.097 1.00 0.00 H new ATOM 337 N ASP A 22 6.313 6.738 2.458 1.00 0.00 N ATOM 338 CA ASP A 22 5.738 7.830 3.299 1.00 0.00 C ATOM 339 C ASP A 22 6.154 7.626 4.758 1.00 0.00 C ATOM 340 O ASP A 22 5.816 8.407 5.626 1.00 0.00 O ATOM 341 CB ASP A 22 4.211 7.795 3.192 1.00 0.00 C ATOM 342 CG ASP A 22 3.775 8.396 1.854 1.00 0.00 C ATOM 343 OD1 ASP A 22 4.179 9.511 1.567 1.00 0.00 O ATOM 344 OD2 ASP A 22 3.042 7.730 1.139 1.00 0.00 O ATOM 0 H ASP A 22 5.673 5.974 2.240 1.00 0.00 H new ATOM 0 HA ASP A 22 6.108 8.794 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.854 6.768 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.766 8.354 4.015 1.00 0.00 H new ATOM 349 N GLY A 23 6.886 6.584 5.033 1.00 0.00 N ATOM 350 CA GLY A 23 7.327 6.324 6.431 1.00 0.00 C ATOM 351 C GLY A 23 6.137 5.835 7.253 1.00 0.00 C ATOM 352 O GLY A 23 6.289 5.336 8.351 1.00 0.00 O ATOM 0 H GLY A 23 7.199 5.898 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.122 5.578 6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.738 7.233 6.870 1.00 0.00 H new ATOM 356 N ARG A 24 4.950 5.977 6.731 1.00 0.00 N ATOM 357 CA ARG A 24 3.749 5.526 7.485 1.00 0.00 C ATOM 358 C ARG A 24 3.712 3.999 7.542 1.00 0.00 C ATOM 359 O ARG A 24 4.138 3.319 6.626 1.00 0.00 O ATOM 360 CB ARG A 24 2.484 6.061 6.802 1.00 0.00 C ATOM 361 CG ARG A 24 2.170 5.267 5.529 1.00 0.00 C ATOM 362 CD ARG A 24 1.151 6.050 4.685 1.00 0.00 C ATOM 363 NE ARG A 24 0.266 6.847 5.581 1.00 0.00 N ATOM 364 CZ ARG A 24 -0.423 7.843 5.098 1.00 0.00 C ATOM 365 NH1 ARG A 24 -0.336 8.142 3.831 1.00 0.00 N ATOM 366 NH2 ARG A 24 -1.198 8.540 5.884 1.00 0.00 N ATOM 0 H ARG A 24 4.761 6.386 5.816 1.00 0.00 H new ATOM 0 HA ARG A 24 3.796 5.912 8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.641 6.000 7.490 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.618 7.114 6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.082 5.099 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.770 4.286 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.670 6.710 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.554 5.362 4.086 1.00 0.00 H new ATOM 0 HE ARG A 24 0.199 6.613 6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.271 7.597 3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.875 8.921 3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.264 8.305 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.738 9.319 5.508 1.00 0.00 H new ATOM 380 N TYR A 25 3.198 3.456 8.610 1.00 0.00 N ATOM 381 CA TYR A 25 3.118 1.975 8.729 1.00 0.00 C ATOM 382 C TYR A 25 1.898 1.480 7.958 1.00 0.00 C ATOM 383 O TYR A 25 0.885 2.151 7.880 1.00 0.00 O ATOM 384 CB TYR A 25 2.969 1.581 10.201 1.00 0.00 C ATOM 385 CG TYR A 25 4.192 2.018 10.975 1.00 0.00 C ATOM 386 CD1 TYR A 25 5.437 1.447 10.691 1.00 0.00 C ATOM 387 CD2 TYR A 25 4.080 2.991 11.977 1.00 0.00 C ATOM 388 CE1 TYR A 25 6.571 1.849 11.407 1.00 0.00 C ATOM 389 CE2 TYR A 25 5.213 3.392 12.693 1.00 0.00 C ATOM 390 CZ TYR A 25 6.460 2.822 12.408 1.00 0.00 C ATOM 391 OH TYR A 25 7.577 3.218 13.114 1.00 0.00 O ATOM 0 H TYR A 25 2.829 3.976 9.407 1.00 0.00 H new ATOM 0 HA TYR A 25 4.026 1.529 8.324 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.076 2.044 10.622 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.839 0.502 10.287 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.523 0.696 9.920 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.119 3.432 12.197 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.532 1.408 11.187 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.126 4.141 13.466 1.00 0.00 H new ATOM 0 HH TYR A 25 7.324 3.901 13.770 1.00 0.00 H new ATOM 401 N LEU A 26 1.979 0.306 7.395 1.00 0.00 N ATOM 402 CA LEU A 26 0.820 -0.245 6.637 1.00 0.00 C ATOM 403 C LEU A 26 0.792 -1.760 6.810 1.00 0.00 C ATOM 404 O LEU A 26 1.802 -2.430 6.710 1.00 0.00 O ATOM 405 CB LEU A 26 0.941 0.124 5.145 1.00 0.00 C ATOM 406 CG LEU A 26 2.060 -0.704 4.453 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.481 -1.993 3.814 1.00 0.00 C ATOM 408 CD2 LEU A 26 2.727 0.148 3.358 1.00 0.00 C ATOM 0 H LEU A 26 2.801 -0.298 7.427 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.108 0.181 7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.011 -0.055 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.158 1.188 5.047 1.00 0.00 H new ATOM 0 HG LEU A 26 2.794 -0.988 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.284 -2.555 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.019 -2.607 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.732 -1.725 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.512 -0.432 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.981 0.439 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.161 1.042 3.806 1.00 0.00 H new ATOM 420 N TYR A 27 -0.364 -2.307 7.067 1.00 0.00 N ATOM 421 CA TYR A 27 -0.487 -3.783 7.245 1.00 0.00 C ATOM 422 C TYR A 27 -1.064 -4.372 5.962 1.00 0.00 C ATOM 423 O TYR A 27 -2.244 -4.253 5.681 1.00 0.00 O ATOM 424 CB TYR A 27 -1.426 -4.063 8.422 1.00 0.00 C ATOM 425 CG TYR A 27 -1.801 -5.527 8.485 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.819 -6.503 8.715 1.00 0.00 C ATOM 427 CD2 TYR A 27 -3.144 -5.907 8.341 1.00 0.00 C ATOM 428 CE1 TYR A 27 -1.189 -7.852 8.798 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.505 -7.253 8.420 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.530 -8.226 8.650 1.00 0.00 C ATOM 431 OH TYR A 27 -2.888 -9.555 8.732 1.00 0.00 O ATOM 0 H TYR A 27 -1.238 -1.790 7.162 1.00 0.00 H new ATOM 0 HA TYR A 27 0.485 -4.232 7.450 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.944 -3.768 9.354 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.327 -3.458 8.324 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.216 -6.216 8.827 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.901 -5.156 8.169 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.437 -8.606 8.977 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.539 -7.542 8.303 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.278 -9.842 7.880 1.00 0.00 H new ATOM 441 N LYS A 28 -0.226 -4.993 5.174 1.00 0.00 N ATOM 442 CA LYS A 28 -0.686 -5.606 3.894 1.00 0.00 C ATOM 443 C LYS A 28 -0.812 -7.112 4.104 1.00 0.00 C ATOM 444 O LYS A 28 0.066 -7.739 4.663 1.00 0.00 O ATOM 445 CB LYS A 28 0.347 -5.317 2.792 1.00 0.00 C ATOM 446 CG LYS A 28 -0.300 -5.413 1.404 1.00 0.00 C ATOM 447 CD LYS A 28 0.681 -4.879 0.356 1.00 0.00 C ATOM 448 CE LYS A 28 0.067 -4.992 -1.044 1.00 0.00 C ATOM 449 NZ LYS A 28 0.224 -6.387 -1.543 1.00 0.00 N ATOM 0 H LYS A 28 0.770 -5.102 5.366 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.648 -5.190 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.769 -4.322 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.171 -6.026 2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.561 -6.448 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.226 -4.838 1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.926 -3.839 0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.614 -5.441 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.989 -4.722 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.555 -4.294 -1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.388 -6.530 -2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.215 -6.550 -1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.046 -7.056 -0.794 1.00 0.00 H new ATOM 463 N TYR A 29 -1.883 -7.707 3.669 1.00 0.00 N ATOM 464 CA TYR A 29 -2.023 -9.180 3.861 1.00 0.00 C ATOM 465 C TYR A 29 -2.957 -9.771 2.807 1.00 0.00 C ATOM 466 O TYR A 29 -3.833 -9.112 2.283 1.00 0.00 O ATOM 467 CB TYR A 29 -2.560 -9.478 5.264 1.00 0.00 C ATOM 468 CG TYR A 29 -3.956 -8.922 5.421 1.00 0.00 C ATOM 469 CD1 TYR A 29 -4.141 -7.551 5.636 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.064 -9.778 5.365 1.00 0.00 C ATOM 471 CE1 TYR A 29 -5.434 -7.037 5.794 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.356 -9.263 5.524 1.00 0.00 C ATOM 473 CZ TYR A 29 -6.541 -7.892 5.739 1.00 0.00 C ATOM 474 OH TYR A 29 -7.814 -7.384 5.895 1.00 0.00 O ATOM 0 H TYR A 29 -2.660 -7.248 3.194 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.041 -9.639 3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.569 -10.554 5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.901 -9.040 6.014 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.288 -6.891 5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.921 -10.836 5.199 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.577 -5.979 5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.210 -9.923 5.481 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.376 -7.674 5.146 1.00 0.00 H new ATOM 484 N ILE A 30 -2.756 -11.019 2.496 1.00 0.00 N ATOM 485 CA ILE A 30 -3.598 -11.701 1.476 1.00 0.00 C ATOM 486 C ILE A 30 -4.915 -12.137 2.123 1.00 0.00 C ATOM 487 O ILE A 30 -4.950 -13.054 2.919 1.00 0.00 O ATOM 488 CB ILE A 30 -2.834 -12.930 0.955 1.00 0.00 C ATOM 489 CG1 ILE A 30 -1.343 -12.588 0.835 1.00 0.00 C ATOM 490 CG2 ILE A 30 -3.370 -13.354 -0.413 1.00 0.00 C ATOM 491 CD1 ILE A 30 -1.146 -11.363 -0.054 1.00 0.00 C ATOM 0 H ILE A 30 -2.032 -11.605 2.912 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.816 -11.027 0.647 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.972 -13.753 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.927 -12.398 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.801 -13.437 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.818 -14.225 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.427 -13.605 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.247 -12.535 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.083 -11.134 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.544 -11.567 -1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.671 -10.511 0.379 1.00 0.00 H new ATOM 503 N ASP A 31 -5.998 -11.484 1.796 1.00 0.00 N ATOM 504 CA ASP A 31 -7.305 -11.866 2.408 1.00 0.00 C ATOM 505 C ASP A 31 -7.892 -13.069 1.667 1.00 0.00 C ATOM 506 O ASP A 31 -7.431 -13.447 0.608 1.00 0.00 O ATOM 507 CB ASP A 31 -8.276 -10.689 2.312 1.00 0.00 C ATOM 508 CG ASP A 31 -7.647 -9.455 2.958 1.00 0.00 C ATOM 509 OD1 ASP A 31 -6.441 -9.305 2.851 1.00 0.00 O ATOM 510 OD2 ASP A 31 -8.381 -8.681 3.549 1.00 0.00 O ATOM 0 H ASP A 31 -6.035 -10.707 1.136 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.148 -12.128 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.514 -10.485 1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.213 -10.936 2.810 1.00 0.00 H new ATOM 515 N SER A 32 -8.903 -13.676 2.224 1.00 0.00 N ATOM 516 CA SER A 32 -9.524 -14.860 1.566 1.00 0.00 C ATOM 517 C SER A 32 -10.334 -14.413 0.349 1.00 0.00 C ATOM 518 O SER A 32 -11.214 -15.112 -0.113 1.00 0.00 O ATOM 519 CB SER A 32 -10.453 -15.553 2.557 1.00 0.00 C ATOM 520 OG SER A 32 -10.815 -16.831 2.051 1.00 0.00 O ATOM 0 H SER A 32 -9.328 -13.402 3.110 1.00 0.00 H new ATOM 0 HA SER A 32 -8.740 -15.546 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.959 -15.659 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.345 -14.948 2.720 1.00 0.00 H new ATOM 0 HG SER A 32 -11.109 -16.743 1.120 1.00 0.00 H new ATOM 526 N PHE A 33 -10.046 -13.253 -0.173 1.00 0.00 N ATOM 527 CA PHE A 33 -10.795 -12.756 -1.362 1.00 0.00 C ATOM 528 C PHE A 33 -10.009 -13.107 -2.626 1.00 0.00 C ATOM 529 O PHE A 33 -10.574 -13.495 -3.629 1.00 0.00 O ATOM 530 CB PHE A 33 -10.952 -11.233 -1.255 1.00 0.00 C ATOM 531 CG PHE A 33 -12.106 -10.902 -0.331 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.423 -11.085 -0.767 1.00 0.00 C ATOM 533 CD2 PHE A 33 -11.858 -10.414 0.959 1.00 0.00 C ATOM 534 CE1 PHE A 33 -14.493 -10.781 0.085 1.00 0.00 C ATOM 535 CE2 PHE A 33 -12.927 -10.110 1.810 1.00 0.00 C ATOM 536 CZ PHE A 33 -14.244 -10.294 1.374 1.00 0.00 C ATOM 0 H PHE A 33 -9.321 -12.625 0.174 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.781 -13.219 -1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.032 -10.789 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.130 -10.806 -2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -13.615 -11.461 -1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.842 -10.272 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.509 -10.922 -0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -12.735 -9.733 2.804 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.068 -10.060 2.032 1.00 0.00 H new ATOM 546 N GLY A 34 -8.706 -12.979 -2.577 1.00 0.00 N ATOM 547 CA GLY A 34 -7.857 -13.310 -3.766 1.00 0.00 C ATOM 548 C GLY A 34 -6.967 -12.117 -4.116 1.00 0.00 C ATOM 549 O GLY A 34 -6.401 -12.054 -5.190 1.00 0.00 O ATOM 0 H GLY A 34 -8.189 -12.657 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.242 -14.184 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.490 -13.565 -4.616 1.00 0.00 H new ATOM 553 N GLU A 35 -6.826 -11.167 -3.227 1.00 0.00 N ATOM 554 CA GLU A 35 -5.959 -9.991 -3.542 1.00 0.00 C ATOM 555 C GLU A 35 -5.548 -9.269 -2.239 1.00 0.00 C ATOM 556 O GLU A 35 -6.364 -9.080 -1.359 1.00 0.00 O ATOM 557 CB GLU A 35 -6.736 -9.018 -4.440 1.00 0.00 C ATOM 558 CG GLU A 35 -8.195 -8.934 -3.965 1.00 0.00 C ATOM 559 CD GLU A 35 -9.042 -10.006 -4.661 1.00 0.00 C ATOM 560 OE1 GLU A 35 -9.375 -9.810 -5.818 1.00 0.00 O ATOM 561 OE2 GLU A 35 -9.342 -11.000 -4.024 1.00 0.00 O ATOM 0 H GLU A 35 -7.267 -11.153 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.061 -10.335 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.275 -8.031 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.699 -9.354 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.241 -9.069 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.599 -7.945 -4.181 1.00 0.00 H new ATOM 568 N PRO A 36 -4.299 -8.853 -2.111 1.00 0.00 N ATOM 569 CA PRO A 36 -3.815 -8.135 -0.894 1.00 0.00 C ATOM 570 C PRO A 36 -4.827 -7.111 -0.359 1.00 0.00 C ATOM 571 O PRO A 36 -5.772 -6.743 -1.028 1.00 0.00 O ATOM 572 CB PRO A 36 -2.549 -7.425 -1.384 1.00 0.00 C ATOM 573 CG PRO A 36 -2.000 -8.317 -2.452 1.00 0.00 C ATOM 574 CD PRO A 36 -3.206 -9.021 -3.095 1.00 0.00 C ATOM 0 HA PRO A 36 -3.650 -8.821 -0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.778 -6.434 -1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.832 -7.290 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.447 -7.740 -3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.305 -9.044 -2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.463 -8.572 -4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.998 -10.075 -3.282 1.00 0.00 H new ATOM 582 N GLN A 37 -4.621 -6.645 0.847 1.00 0.00 N ATOM 583 CA GLN A 37 -5.544 -5.635 1.452 1.00 0.00 C ATOM 584 C GLN A 37 -4.704 -4.585 2.191 1.00 0.00 C ATOM 585 O GLN A 37 -3.882 -4.914 3.022 1.00 0.00 O ATOM 586 CB GLN A 37 -6.483 -6.340 2.430 1.00 0.00 C ATOM 587 CG GLN A 37 -7.554 -5.362 2.916 1.00 0.00 C ATOM 588 CD GLN A 37 -8.524 -5.059 1.772 1.00 0.00 C ATOM 589 OE1 GLN A 37 -8.324 -4.122 1.023 1.00 0.00 O ATOM 590 NE2 GLN A 37 -9.572 -5.817 1.603 1.00 0.00 N ATOM 0 H GLN A 37 -3.844 -6.924 1.445 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.137 -5.147 0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.952 -7.196 1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.917 -6.725 3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.094 -5.788 3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.089 -4.441 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.740 -6.603 2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.224 -5.624 0.843 1.00 0.00 H new ATOM 599 N PHE A 38 -4.881 -3.326 1.867 1.00 0.00 N ATOM 600 CA PHE A 38 -4.069 -2.245 2.517 1.00 0.00 C ATOM 601 C PHE A 38 -4.781 -1.634 3.735 1.00 0.00 C ATOM 602 O PHE A 38 -5.934 -1.255 3.682 1.00 0.00 O ATOM 603 CB PHE A 38 -3.833 -1.110 1.493 1.00 0.00 C ATOM 604 CG PHE A 38 -2.552 -1.323 0.724 1.00 0.00 C ATOM 605 CD1 PHE A 38 -1.350 -0.804 1.219 1.00 0.00 C ATOM 606 CD2 PHE A 38 -2.572 -2.011 -0.487 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.164 -0.980 0.496 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.390 -2.182 -1.208 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.185 -1.668 -0.719 1.00 0.00 C ATOM 0 H PHE A 38 -5.556 -2.998 1.177 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.134 -2.696 2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.672 -1.063 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.793 -0.152 2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.337 -0.269 2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.500 -2.411 -0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.766 -0.584 0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.406 -2.714 -2.148 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.728 -1.803 -1.280 1.00 0.00 H new ATOM 619 N VAL A 39 -4.045 -1.464 4.803 1.00 0.00 N ATOM 620 CA VAL A 39 -4.583 -0.790 6.024 1.00 0.00 C ATOM 621 C VAL A 39 -3.485 0.181 6.474 1.00 0.00 C ATOM 622 O VAL A 39 -2.417 -0.228 6.883 1.00 0.00 O ATOM 623 CB VAL A 39 -4.889 -1.819 7.116 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.126 -1.103 8.451 1.00 0.00 C ATOM 625 CG2 VAL A 39 -6.146 -2.602 6.731 1.00 0.00 C ATOM 0 H VAL A 39 -3.075 -1.770 4.882 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.518 -0.268 5.821 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.045 -2.501 7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.343 -1.839 9.225 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.234 -0.540 8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.970 -0.420 8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.369 -3.336 7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.986 -1.915 6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.980 -3.113 5.783 1.00 0.00 H new ATOM 635 N TYR A 40 -3.708 1.468 6.334 1.00 0.00 N ATOM 636 CA TYR A 40 -2.638 2.466 6.680 1.00 0.00 C ATOM 637 C TYR A 40 -2.847 3.078 8.066 1.00 0.00 C ATOM 638 O TYR A 40 -3.881 2.936 8.688 1.00 0.00 O ATOM 639 CB TYR A 40 -2.678 3.613 5.665 1.00 0.00 C ATOM 640 CG TYR A 40 -2.354 3.118 4.276 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.020 2.983 3.875 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.386 2.818 3.381 1.00 0.00 C ATOM 643 CE1 TYR A 40 -0.720 2.545 2.579 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.087 2.386 2.084 1.00 0.00 C ATOM 645 CZ TYR A 40 -1.753 2.249 1.681 1.00 0.00 C ATOM 646 OH TYR A 40 -1.457 1.829 0.398 1.00 0.00 O ATOM 0 H TYR A 40 -4.582 1.872 5.996 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.685 1.937 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.666 4.073 5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.965 4.385 5.955 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.222 3.216 4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.415 2.920 3.691 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.310 2.435 2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.886 2.158 1.393 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.018 0.954 0.434 1.00 0.00 H new ATOM 656 N SER A 41 -1.845 3.784 8.531 1.00 0.00 N ATOM 657 CA SER A 41 -1.913 4.460 9.860 1.00 0.00 C ATOM 658 C SER A 41 -0.619 5.268 10.051 1.00 0.00 C ATOM 659 O SER A 41 -0.007 5.699 9.097 1.00 0.00 O ATOM 660 CB SER A 41 -2.059 3.415 10.976 1.00 0.00 C ATOM 661 OG SER A 41 -2.856 3.958 12.021 1.00 0.00 O ATOM 0 H SER A 41 -0.966 3.921 8.033 1.00 0.00 H new ATOM 0 HA SER A 41 -2.777 5.123 9.903 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.520 2.508 10.584 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.078 3.134 11.359 1.00 0.00 H new ATOM 0 HG SER A 41 -2.954 3.295 12.736 1.00 0.00 H new ATOM 667 N TRP A 42 -0.188 5.467 11.270 1.00 0.00 N ATOM 668 CA TRP A 42 1.075 6.230 11.507 1.00 0.00 C ATOM 669 C TRP A 42 1.727 5.701 12.784 1.00 0.00 C ATOM 670 O TRP A 42 2.935 5.691 12.925 1.00 0.00 O ATOM 671 CB TRP A 42 0.758 7.722 11.696 1.00 0.00 C ATOM 672 CG TRP A 42 0.564 8.398 10.375 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.620 8.865 9.915 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.556 8.712 9.348 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.421 9.449 8.678 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.902 9.380 8.284 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.944 8.488 9.233 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.595 9.811 7.152 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.646 8.921 8.090 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.970 9.582 7.054 1.00 0.00 C ATOM 0 H TRP A 42 -0.656 5.134 12.113 1.00 0.00 H new ATOM 0 HA TRP A 42 1.742 6.108 10.653 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.142 7.833 12.301 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.570 8.204 12.240 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.566 8.793 10.430 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.161 9.879 8.123 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.473 7.981 10.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.071 10.319 6.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.708 8.743 8.012 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.512 9.914 6.181 1.00 0.00 H new ATOM 691 N LYS A 43 0.926 5.284 13.727 1.00 0.00 N ATOM 692 CA LYS A 43 1.467 4.776 15.020 1.00 0.00 C ATOM 693 C LYS A 43 1.487 3.246 15.016 1.00 0.00 C ATOM 694 O LYS A 43 0.487 2.606 14.765 1.00 0.00 O ATOM 695 CB LYS A 43 0.556 5.256 16.153 1.00 0.00 C ATOM 696 CG LYS A 43 0.374 6.781 16.087 1.00 0.00 C ATOM 697 CD LYS A 43 -0.905 7.187 16.835 1.00 0.00 C ATOM 698 CE LYS A 43 -0.920 6.565 18.230 1.00 0.00 C ATOM 699 NZ LYS A 43 0.397 6.785 18.890 1.00 0.00 N ATOM 0 H LYS A 43 -0.091 5.274 13.655 1.00 0.00 H new ATOM 0 HA LYS A 43 2.482 5.147 15.160 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.414 4.764 16.081 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.984 4.976 17.115 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.238 7.279 16.528 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.316 7.105 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.961 8.273 16.912 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.782 6.862 16.274 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.716 7.008 18.828 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.130 5.498 18.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.415 6.289 19.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.156 6.417 18.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.541 7.803 19.046 1.00 0.00 H new ATOM 713 N LEU A 44 2.609 2.653 15.321 1.00 0.00 N ATOM 714 CA LEU A 44 2.669 1.167 15.361 1.00 0.00 C ATOM 715 C LEU A 44 1.909 0.698 16.600 1.00 0.00 C ATOM 716 O LEU A 44 1.288 -0.338 16.599 1.00 0.00 O ATOM 717 CB LEU A 44 4.130 0.709 15.432 1.00 0.00 C ATOM 718 CG LEU A 44 4.208 -0.824 15.520 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.505 -1.468 14.313 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.683 -1.243 15.543 1.00 0.00 C ATOM 0 H LEU A 44 3.482 3.132 15.543 1.00 0.00 H new ATOM 0 HA LEU A 44 2.220 0.742 14.463 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.670 1.057 14.551 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.616 1.155 16.300 1.00 0.00 H new ATOM 0 HG LEU A 44 3.709 -1.159 16.429 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.569 -2.553 14.391 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.458 -1.167 14.299 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.989 -1.141 13.393 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.752 -2.329 15.605 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.173 -0.900 14.632 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.174 -0.798 16.408 1.00 0.00 H new ATOM 732 N VAL A 45 1.935 1.479 17.651 1.00 0.00 N ATOM 733 CA VAL A 45 1.195 1.108 18.898 1.00 0.00 C ATOM 734 C VAL A 45 0.556 2.374 19.462 1.00 0.00 C ATOM 735 O VAL A 45 0.982 3.475 19.174 1.00 0.00 O ATOM 736 CB VAL A 45 2.156 0.492 19.930 1.00 0.00 C ATOM 737 CG1 VAL A 45 3.083 -0.514 19.243 1.00 0.00 C ATOM 738 CG2 VAL A 45 2.999 1.593 20.589 1.00 0.00 C ATOM 0 H VAL A 45 2.440 2.364 17.700 1.00 0.00 H new ATOM 0 HA VAL A 45 0.429 0.367 18.671 1.00 0.00 H new ATOM 0 HB VAL A 45 1.569 -0.018 20.694 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.761 -0.946 19.979 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.488 -1.306 18.789 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.662 -0.007 18.471 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.676 1.146 21.318 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.579 2.113 19.826 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.342 2.303 21.092 1.00 0.00 H new ATOM 748 N ALA A 46 -0.473 2.234 20.237 1.00 0.00 N ATOM 749 CA ALA A 46 -1.139 3.439 20.783 1.00 0.00 C ATOM 750 C ALA A 46 -0.236 4.108 21.818 1.00 0.00 C ATOM 751 O ALA A 46 -0.531 4.149 22.996 1.00 0.00 O ATOM 752 CB ALA A 46 -2.490 3.033 21.385 1.00 0.00 C ATOM 0 H ALA A 46 -0.881 1.342 20.516 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.320 4.164 19.989 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.988 3.914 21.790 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.114 2.587 20.611 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.330 2.308 22.183 1.00 0.00 H new ATOM 758 N THR A 47 0.861 4.649 21.361 1.00 0.00 N ATOM 759 CA THR A 47 1.810 5.348 22.272 1.00 0.00 C ATOM 760 C THR A 47 2.556 6.419 21.469 1.00 0.00 C ATOM 761 O THR A 47 2.867 7.484 21.966 1.00 0.00 O ATOM 762 CB THR A 47 2.811 4.348 22.848 1.00 0.00 C ATOM 763 OG1 THR A 47 2.113 3.216 23.350 1.00 0.00 O ATOM 764 CG2 THR A 47 3.588 5.011 23.982 1.00 0.00 C ATOM 0 H THR A 47 1.143 4.635 20.381 1.00 0.00 H new ATOM 0 HA THR A 47 1.263 5.809 23.094 1.00 0.00 H new ATOM 0 HB THR A 47 3.502 4.030 22.068 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.754 2.573 23.718 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.304 4.301 24.396 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.121 5.881 23.598 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.895 5.325 24.763 1.00 0.00 H new ATOM 772 N ASP A 48 2.837 6.135 20.227 1.00 0.00 N ATOM 773 CA ASP A 48 3.556 7.112 19.363 1.00 0.00 C ATOM 774 C ASP A 48 2.653 8.330 19.105 1.00 0.00 C ATOM 775 O ASP A 48 1.716 8.578 19.836 1.00 0.00 O ATOM 776 CB ASP A 48 3.909 6.417 18.040 1.00 0.00 C ATOM 777 CG ASP A 48 5.162 5.555 18.226 1.00 0.00 C ATOM 778 OD1 ASP A 48 5.446 5.194 19.355 1.00 0.00 O ATOM 779 OD2 ASP A 48 5.813 5.269 17.234 1.00 0.00 O ATOM 0 H ASP A 48 2.596 5.256 19.769 1.00 0.00 H new ATOM 0 HA ASP A 48 4.468 7.456 19.851 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.075 5.797 17.710 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.080 7.161 17.262 1.00 0.00 H new ATOM 784 N ARG A 49 2.933 9.095 18.073 1.00 0.00 N ATOM 785 CA ARG A 49 2.099 10.304 17.765 1.00 0.00 C ATOM 786 C ARG A 49 1.798 10.346 16.260 1.00 0.00 C ATOM 787 O ARG A 49 1.820 9.334 15.591 1.00 0.00 O ATOM 788 CB ARG A 49 2.873 11.562 18.166 1.00 0.00 C ATOM 789 CG ARG A 49 3.078 11.570 19.687 1.00 0.00 C ATOM 790 CD ARG A 49 1.730 11.764 20.422 1.00 0.00 C ATOM 791 NE ARG A 49 1.884 12.776 21.518 1.00 0.00 N ATOM 792 CZ ARG A 49 2.891 12.729 22.354 1.00 0.00 C ATOM 793 NH1 ARG A 49 3.735 11.735 22.315 1.00 0.00 N ATOM 794 NH2 ARG A 49 3.034 13.667 23.251 1.00 0.00 N ATOM 0 H ARG A 49 3.707 8.933 17.428 1.00 0.00 H new ATOM 0 HA ARG A 49 1.162 10.257 18.320 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.837 11.587 17.658 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.326 12.453 17.857 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.537 10.633 20.002 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.766 12.370 19.962 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.966 12.093 19.717 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.393 10.814 20.837 1.00 0.00 H new ATOM 0 HE ARG A 49 1.190 13.517 21.614 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.613 10.989 21.631 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.517 11.704 22.969 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.363 14.433 23.299 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.817 13.633 23.904 1.00 0.00 H new ATOM 808 N VAL A 50 1.524 11.512 15.721 1.00 0.00 N ATOM 809 CA VAL A 50 1.223 11.622 14.256 1.00 0.00 C ATOM 810 C VAL A 50 1.611 13.036 13.771 1.00 0.00 C ATOM 811 O VAL A 50 1.113 14.015 14.289 1.00 0.00 O ATOM 812 CB VAL A 50 -0.288 11.424 14.010 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.759 10.113 14.643 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.084 12.599 14.611 1.00 0.00 C ATOM 0 H VAL A 50 1.496 12.394 16.233 1.00 0.00 H new ATOM 0 HA VAL A 50 1.786 10.859 13.718 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.461 11.386 12.934 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.826 9.985 14.463 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.214 9.279 14.201 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.573 10.140 15.717 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.148 12.447 14.431 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.901 12.651 15.684 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.766 13.531 14.143 1.00 0.00 H new ATOM 824 N PRO A 51 2.483 13.166 12.788 1.00 0.00 N ATOM 825 CA PRO A 51 2.886 14.507 12.274 1.00 0.00 C ATOM 826 C PRO A 51 1.685 15.434 12.076 1.00 0.00 C ATOM 827 O PRO A 51 0.663 15.045 11.551 1.00 0.00 O ATOM 828 CB PRO A 51 3.565 14.197 10.935 1.00 0.00 C ATOM 829 CG PRO A 51 4.115 12.815 11.091 1.00 0.00 C ATOM 830 CD PRO A 51 3.182 12.081 12.067 1.00 0.00 C ATOM 0 HA PRO A 51 3.536 15.033 12.973 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.854 14.248 10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.356 14.915 10.718 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.152 12.302 10.130 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.134 12.844 11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.479 11.438 11.538 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.743 11.445 12.752 1.00 0.00 H new ATOM 838 N ALA A 52 1.807 16.657 12.497 1.00 0.00 N ATOM 839 CA ALA A 52 0.686 17.618 12.341 1.00 0.00 C ATOM 840 C ALA A 52 0.207 17.620 10.885 1.00 0.00 C ATOM 841 O ALA A 52 0.989 17.481 9.966 1.00 0.00 O ATOM 842 CB ALA A 52 1.180 19.011 12.731 1.00 0.00 C ATOM 0 H ALA A 52 2.641 17.035 12.946 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.147 17.329 12.982 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.367 19.729 12.622 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.518 19.000 13.767 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.008 19.298 12.083 1.00 0.00 H new ATOM 848 N GLY A 53 -1.074 17.780 10.669 1.00 0.00 N ATOM 849 CA GLY A 53 -1.611 17.794 9.272 1.00 0.00 C ATOM 850 C GLY A 53 -2.143 16.405 8.909 1.00 0.00 C ATOM 851 O GLY A 53 -2.904 16.247 7.976 1.00 0.00 O ATOM 0 H GLY A 53 -1.774 17.902 11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.408 18.533 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.827 18.088 8.574 1.00 0.00 H new ATOM 855 N LYS A 54 -1.745 15.396 9.636 1.00 0.00 N ATOM 856 CA LYS A 54 -2.223 14.016 9.337 1.00 0.00 C ATOM 857 C LYS A 54 -3.547 13.767 10.069 1.00 0.00 C ATOM 858 O LYS A 54 -3.888 14.456 11.009 1.00 0.00 O ATOM 859 CB LYS A 54 -1.165 13.015 9.823 1.00 0.00 C ATOM 860 CG LYS A 54 -0.027 12.880 8.797 1.00 0.00 C ATOM 861 CD LYS A 54 0.484 14.259 8.349 1.00 0.00 C ATOM 862 CE LYS A 54 1.684 14.088 7.411 1.00 0.00 C ATOM 863 NZ LYS A 54 2.666 13.129 7.996 1.00 0.00 N ATOM 0 H LYS A 54 -1.106 15.469 10.428 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.381 13.896 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.760 13.343 10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.628 12.042 9.989 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.793 12.309 9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.380 12.321 7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.311 14.804 7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.771 14.851 9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.346 13.726 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.163 15.052 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.624 13.528 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.432 12.959 8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.627 12.230 7.474 1.00 0.00 H new ATOM 877 N ARG A 55 -4.294 12.784 9.641 1.00 0.00 N ATOM 878 CA ARG A 55 -5.594 12.485 10.306 1.00 0.00 C ATOM 879 C ARG A 55 -5.338 11.681 11.584 1.00 0.00 C ATOM 880 O ARG A 55 -4.576 10.735 11.590 1.00 0.00 O ATOM 881 CB ARG A 55 -6.470 11.662 9.360 1.00 0.00 C ATOM 882 CG ARG A 55 -6.789 12.479 8.086 1.00 0.00 C ATOM 883 CD ARG A 55 -8.191 12.134 7.581 1.00 0.00 C ATOM 884 NE ARG A 55 -8.244 10.691 7.210 1.00 0.00 N ATOM 885 CZ ARG A 55 -9.396 10.101 7.042 1.00 0.00 C ATOM 886 NH1 ARG A 55 -10.504 10.769 7.211 1.00 0.00 N ATOM 887 NH2 ARG A 55 -9.439 8.841 6.705 1.00 0.00 N ATOM 0 H ARG A 55 -4.059 12.174 8.858 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.099 13.418 10.555 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.959 10.738 9.090 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.396 11.380 9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.723 13.545 8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.052 12.265 7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.930 12.350 8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.441 12.752 6.718 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.379 10.164 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.471 11.754 7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.404 10.306 7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.573 8.318 6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.339 8.379 6.573 1.00 0.00 H new ATOM 901 N ASP A 56 -5.969 12.046 12.667 1.00 0.00 N ATOM 902 CA ASP A 56 -5.757 11.297 13.939 1.00 0.00 C ATOM 903 C ASP A 56 -6.249 9.860 13.766 1.00 0.00 C ATOM 904 O ASP A 56 -7.159 9.592 13.006 1.00 0.00 O ATOM 905 CB ASP A 56 -6.533 11.974 15.071 1.00 0.00 C ATOM 906 CG ASP A 56 -8.029 11.950 14.751 1.00 0.00 C ATOM 907 OD1 ASP A 56 -8.366 11.748 13.597 1.00 0.00 O ATOM 908 OD2 ASP A 56 -8.813 12.135 15.668 1.00 0.00 O ATOM 0 H ASP A 56 -6.621 12.828 12.726 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.695 11.292 14.187 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.344 11.460 16.014 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.193 13.002 15.195 1.00 0.00 H new ATOM 913 N ALA A 57 -5.653 8.928 14.460 1.00 0.00 N ATOM 914 CA ALA A 57 -6.086 7.511 14.323 1.00 0.00 C ATOM 915 C ALA A 57 -5.509 6.684 15.472 1.00 0.00 C ATOM 916 O ALA A 57 -4.584 7.093 16.145 1.00 0.00 O ATOM 917 CB ALA A 57 -5.571 6.953 12.987 1.00 0.00 C ATOM 0 H ALA A 57 -4.887 9.088 15.114 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.174 7.459 14.351 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.885 5.915 12.881 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.979 7.541 12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.483 7.007 12.966 1.00 0.00 H new ATOM 923 N ILE A 58 -6.031 5.508 15.678 1.00 0.00 N ATOM 924 CA ILE A 58 -5.502 4.635 16.754 1.00 0.00 C ATOM 925 C ILE A 58 -4.144 4.123 16.298 1.00 0.00 C ATOM 926 O ILE A 58 -3.408 4.822 15.630 1.00 0.00 O ATOM 927 CB ILE A 58 -6.459 3.456 16.952 1.00 0.00 C ATOM 928 CG1 ILE A 58 -6.583 2.669 15.631 1.00 0.00 C ATOM 929 CG2 ILE A 58 -7.831 3.983 17.363 1.00 0.00 C ATOM 930 CD1 ILE A 58 -7.813 1.740 15.645 1.00 0.00 C ATOM 0 H ILE A 58 -6.805 5.115 15.143 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.409 5.178 17.694 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.074 2.798 17.731 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.660 3.366 14.796 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.681 2.079 15.471 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.515 3.146 17.505 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.742 4.541 18.295 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.217 4.639 16.583 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.872 1.200 14.700 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.722 1.028 16.465 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.717 2.335 15.780 1.00 0.00 H new ATOM 942 N SER A 59 -3.809 2.908 16.634 1.00 0.00 N ATOM 943 CA SER A 59 -2.500 2.336 16.202 1.00 0.00 C ATOM 944 C SER A 59 -2.754 1.223 15.195 1.00 0.00 C ATOM 945 O SER A 59 -3.719 0.490 15.288 1.00 0.00 O ATOM 946 CB SER A 59 -1.765 1.785 17.426 1.00 0.00 C ATOM 947 OG SER A 59 -2.182 2.506 18.573 1.00 0.00 O ATOM 0 H SER A 59 -4.389 2.282 17.193 1.00 0.00 H new ATOM 0 HA SER A 59 -1.886 3.107 15.736 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.980 0.723 17.549 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.687 1.879 17.293 1.00 0.00 H new ATOM 0 HG SER A 59 -3.024 2.132 18.906 1.00 0.00 H new ATOM 953 N LEU A 60 -1.893 1.089 14.233 1.00 0.00 N ATOM 954 CA LEU A 60 -2.081 0.024 13.221 1.00 0.00 C ATOM 955 C LEU A 60 -2.275 -1.311 13.944 1.00 0.00 C ATOM 956 O LEU A 60 -2.675 -2.298 13.363 1.00 0.00 O ATOM 957 CB LEU A 60 -0.839 -0.030 12.327 1.00 0.00 C ATOM 958 CG LEU A 60 -0.939 -1.184 11.321 1.00 0.00 C ATOM 959 CD1 LEU A 60 -2.275 -1.117 10.563 1.00 0.00 C ATOM 960 CD2 LEU A 60 0.232 -1.080 10.328 1.00 0.00 C ATOM 0 H LEU A 60 -1.066 1.672 14.104 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.956 0.227 12.604 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.728 0.914 11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.052 -0.155 12.942 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.892 -2.135 11.852 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.332 -1.942 9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.100 -1.191 11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.342 -0.171 10.026 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.172 -1.896 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.180 -0.127 9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.175 -1.144 10.870 1.00 0.00 H new ATOM 972 N ARG A 61 -1.999 -1.336 15.220 1.00 0.00 N ATOM 973 CA ARG A 61 -2.173 -2.588 16.003 1.00 0.00 C ATOM 974 C ARG A 61 -3.650 -2.738 16.374 1.00 0.00 C ATOM 975 O ARG A 61 -4.187 -3.827 16.391 1.00 0.00 O ATOM 976 CB ARG A 61 -1.323 -2.507 17.276 1.00 0.00 C ATOM 977 CG ARG A 61 0.155 -2.785 16.945 1.00 0.00 C ATOM 978 CD ARG A 61 0.450 -4.289 16.990 1.00 0.00 C ATOM 979 NE ARG A 61 1.593 -4.594 16.083 1.00 0.00 N ATOM 980 CZ ARG A 61 2.214 -5.737 16.177 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.832 -6.619 17.061 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.218 -6.000 15.386 1.00 0.00 N ATOM 0 H ARG A 61 -1.659 -0.537 15.755 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.856 -3.448 15.413 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.423 -1.520 17.727 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.682 -3.230 18.009 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.391 -2.393 15.956 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.796 -2.263 17.655 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.688 -4.594 18.009 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.431 -4.853 16.686 1.00 0.00 H new ATOM 0 HE ARG A 61 1.890 -3.908 15.388 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.047 -6.414 17.679 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.319 -7.512 17.133 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.517 -5.312 14.695 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.704 -6.894 15.459 1.00 0.00 H new ATOM 996 N GLU A 62 -4.316 -1.647 16.659 1.00 0.00 N ATOM 997 CA GLU A 62 -5.761 -1.736 17.009 1.00 0.00 C ATOM 998 C GLU A 62 -6.551 -1.998 15.727 1.00 0.00 C ATOM 999 O GLU A 62 -7.440 -2.826 15.692 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.228 -0.431 17.656 1.00 0.00 C ATOM 1001 CG GLU A 62 -5.738 -0.365 19.105 1.00 0.00 C ATOM 1002 CD GLU A 62 -4.215 -0.506 19.144 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -3.738 -1.621 19.007 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -3.552 0.504 19.314 1.00 0.00 O ATOM 0 H GLU A 62 -3.922 -0.706 16.664 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.923 -2.546 17.720 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.846 0.421 17.094 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.316 -0.369 17.627 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.036 0.581 19.557 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.201 -1.158 19.692 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.216 -1.318 14.661 1.00 0.00 N ATOM 1012 CA LYS A 63 -6.931 -1.557 13.378 1.00 0.00 C ATOM 1013 C LYS A 63 -6.789 -3.032 13.030 1.00 0.00 C ATOM 1014 O LYS A 63 -7.726 -3.684 12.622 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.299 -0.720 12.263 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.498 0.763 12.566 1.00 0.00 C ATOM 1017 CD LYS A 63 -5.972 1.608 11.400 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.552 3.025 11.486 1.00 0.00 C ATOM 1019 NZ LYS A 63 -5.702 3.956 10.692 1.00 0.00 N ATOM 0 H LYS A 63 -5.481 -0.611 14.626 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.980 -1.279 13.479 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.236 -0.946 12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.752 -0.970 11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.555 0.971 12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.975 1.029 13.485 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.883 1.648 11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.249 1.148 10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.574 3.035 11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.594 3.350 12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.246 4.813 10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.862 4.217 11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.405 3.489 9.812 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.612 -3.559 13.203 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.378 -4.993 12.898 1.00 0.00 C ATOM 1035 C ILE A 64 -6.302 -5.844 13.779 1.00 0.00 C ATOM 1036 O ILE A 64 -7.003 -6.717 13.308 1.00 0.00 O ATOM 1037 CB ILE A 64 -3.901 -5.320 13.189 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -3.049 -4.873 11.998 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.698 -6.827 13.416 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.570 -4.925 12.375 1.00 0.00 C ATOM 0 H ILE A 64 -4.796 -3.053 13.546 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.593 -5.208 11.851 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.602 -4.793 14.095 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.239 -5.518 11.140 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.323 -3.861 11.702 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.646 -7.026 13.619 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.299 -7.151 14.266 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.005 -7.374 12.525 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.966 -4.606 11.525 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.386 -4.261 13.220 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.300 -5.945 12.650 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.292 -5.595 15.058 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.148 -6.382 15.990 1.00 0.00 C ATOM 1054 C ALA A 65 -8.613 -6.322 15.550 1.00 0.00 C ATOM 1055 O ALA A 65 -9.390 -7.210 15.841 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.023 -5.808 17.402 1.00 0.00 C ATOM 0 H ALA A 65 -5.723 -4.874 15.502 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.817 -7.420 15.979 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.649 -6.383 18.085 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.984 -5.864 17.727 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.347 -4.767 17.402 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.006 -5.287 14.858 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.427 -5.196 14.421 1.00 0.00 C ATOM 1064 C GLU A 66 -10.666 -6.193 13.288 1.00 0.00 C ATOM 1065 O GLU A 66 -11.738 -6.742 13.147 1.00 0.00 O ATOM 1066 CB GLU A 66 -10.735 -3.779 13.935 1.00 0.00 C ATOM 1067 CG GLU A 66 -10.799 -2.827 15.132 1.00 0.00 C ATOM 1068 CD GLU A 66 -12.100 -3.061 15.903 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -13.151 -2.775 15.353 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -12.023 -3.520 17.030 1.00 0.00 O ATOM 0 H GLU A 66 -8.410 -4.508 14.579 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.081 -5.430 15.261 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.967 -3.449 13.236 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.683 -3.766 13.397 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.942 -2.990 15.786 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.747 -1.793 14.791 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.671 -6.439 12.481 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.845 -7.411 11.365 1.00 0.00 C ATOM 1079 C LEU A 67 -10.020 -8.813 11.954 1.00 0.00 C ATOM 1080 O LEU A 67 -10.903 -9.557 11.575 1.00 0.00 O ATOM 1081 CB LEU A 67 -8.607 -7.385 10.460 1.00 0.00 C ATOM 1082 CG LEU A 67 -8.147 -5.940 10.256 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.957 -5.913 9.296 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.296 -5.117 9.667 1.00 0.00 C ATOM 0 H LEU A 67 -8.748 -6.010 12.546 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.722 -7.144 10.776 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.805 -7.972 10.908 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.838 -7.842 9.498 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.849 -5.516 11.215 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.630 -4.883 9.151 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.138 -6.498 9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.253 -6.338 8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.969 -4.087 9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.594 -5.542 8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.144 -5.135 10.351 1.00 0.00 H new ATOM 1096 N GLN A 68 -9.179 -9.168 12.885 1.00 0.00 N ATOM 1097 CA GLN A 68 -9.271 -10.511 13.523 1.00 0.00 C ATOM 1098 C GLN A 68 -10.284 -10.456 14.664 1.00 0.00 C ATOM 1099 O GLN A 68 -10.137 -11.115 15.674 1.00 0.00 O ATOM 1100 CB GLN A 68 -7.904 -10.889 14.083 1.00 0.00 C ATOM 1101 CG GLN A 68 -6.978 -11.312 12.940 1.00 0.00 C ATOM 1102 CD GLN A 68 -5.572 -11.561 13.491 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -5.082 -12.672 13.455 1.00 0.00 O ATOM 1104 NE2 GLN A 68 -4.900 -10.567 14.002 1.00 0.00 N ATOM 0 H GLN A 68 -8.424 -8.578 13.235 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.587 -11.250 12.787 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.473 -10.043 14.619 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.007 -11.703 14.801 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.359 -12.215 12.464 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.949 -10.536 12.175 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.312 -9.634 14.032 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.962 -10.722 14.372 1.00 0.00 H new