USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 571 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 58 GLN : amide:sc= -1.69 K(o=-1.7,f=-3.3!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 THR OG1 : rot 158:sc= 0.102! USER MOD Set 2.2: A 14 SER OG : rot 121:sc= 1.05 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.0196 K(o=0.02,f=-9.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 65:sc= -2.39! USER MOD Single : A 50 THR OG1 : rot -79:sc= 1.26 USER MOD Single : A 57 THR OG1 : rot 123:sc= -2.14! USER MOD Single : A 62 ASN : amide:sc=-0.00414 X(o=-0.0041,f=0.18) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -3.05! USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.000547 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 11.054 8.927 -6.575 1.00 0.00 N ATOM 57 CA VAL A 5 9.575 8.927 -6.766 1.00 0.00 C ATOM 58 C VAL A 5 9.206 7.892 -7.831 1.00 0.00 C ATOM 59 O VAL A 5 9.910 7.720 -8.806 1.00 0.00 O ATOM 60 CB VAL A 5 9.130 10.319 -7.224 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.672 10.552 -6.826 1.00 0.00 C ATOM 62 CG2 VAL A 5 10.010 11.377 -6.555 1.00 0.00 C ATOM 0 HA VAL A 5 9.078 8.676 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 5 9.225 10.390 -8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.359 11.543 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.041 9.798 -7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.575 10.480 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.696 12.369 -6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.911 11.301 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.051 11.216 -6.837 1.00 0.00 H new ATOM 72 N SER A 6 8.117 7.188 -7.654 1.00 0.00 N ATOM 73 CA SER A 6 7.738 6.163 -8.670 1.00 0.00 C ATOM 74 C SER A 6 6.643 6.689 -9.593 1.00 0.00 C ATOM 75 O SER A 6 5.521 6.919 -9.180 1.00 0.00 O ATOM 76 CB SER A 6 7.216 4.894 -7.981 1.00 0.00 C ATOM 77 OG SER A 6 8.067 4.565 -6.891 1.00 0.00 O ATOM 0 H SER A 6 7.482 7.277 -6.861 1.00 0.00 H new ATOM 0 HA SER A 6 8.631 5.935 -9.253 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.197 5.052 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.182 4.069 -8.692 1.00 0.00 H new ATOM 0 HG SER A 6 7.734 3.756 -6.449 1.00 0.00 H new ATOM 83 N LYS A 7 6.948 6.825 -10.855 1.00 0.00 N ATOM 84 CA LYS A 7 5.913 7.266 -11.823 1.00 0.00 C ATOM 85 C LYS A 7 5.173 6.000 -12.241 1.00 0.00 C ATOM 86 O LYS A 7 5.662 5.220 -13.036 1.00 0.00 O ATOM 87 CB LYS A 7 6.573 7.915 -13.042 1.00 0.00 C ATOM 88 CG LYS A 7 5.522 8.687 -13.842 1.00 0.00 C ATOM 89 CD LYS A 7 6.034 10.101 -14.126 1.00 0.00 C ATOM 90 CE LYS A 7 6.047 10.345 -15.635 1.00 0.00 C ATOM 91 NZ LYS A 7 7.317 9.817 -16.213 1.00 0.00 N ATOM 0 H LYS A 7 7.870 6.649 -11.254 1.00 0.00 H new ATOM 0 HA LYS A 7 5.239 8.003 -11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.369 8.588 -12.723 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.034 7.151 -13.669 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.310 8.170 -14.778 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.586 8.733 -13.285 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.397 10.836 -13.634 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.037 10.225 -13.718 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.192 9.855 -16.101 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.956 11.411 -15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.326 9.983 -17.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.126 10.304 -15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.385 8.796 -16.027 1.00 0.00 H new ATOM 105 N LEU A 8 4.036 5.744 -11.662 1.00 0.00 N ATOM 106 CA LEU A 8 3.327 4.482 -11.983 1.00 0.00 C ATOM 107 C LEU A 8 2.230 4.678 -13.020 1.00 0.00 C ATOM 108 O LEU A 8 1.333 5.483 -12.867 1.00 0.00 O ATOM 109 CB LEU A 8 2.685 3.925 -10.706 1.00 0.00 C ATOM 110 CG LEU A 8 3.606 2.888 -10.053 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.847 2.137 -8.957 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.066 1.881 -11.102 1.00 0.00 C ATOM 0 H LEU A 8 3.571 6.350 -10.986 1.00 0.00 H new ATOM 0 HA LEU A 8 4.065 3.793 -12.394 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.488 4.737 -10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.724 3.469 -10.944 1.00 0.00 H new ATOM 0 HG LEU A 8 4.466 3.401 -9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.506 1.401 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.507 2.844 -8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.986 1.630 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.721 1.144 -10.637 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.198 1.378 -11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.608 2.401 -11.892 1.00 0.00 H new ATOM 124 N ARG A 9 2.269 3.872 -14.040 1.00 0.00 N ATOM 125 CA ARG A 9 1.207 3.903 -15.071 1.00 0.00 C ATOM 126 C ARG A 9 0.468 2.584 -14.902 1.00 0.00 C ATOM 127 O ARG A 9 0.969 1.533 -15.247 1.00 0.00 O ATOM 128 CB ARG A 9 1.824 3.988 -16.470 1.00 0.00 C ATOM 129 CG ARG A 9 0.708 4.056 -17.514 1.00 0.00 C ATOM 130 CD ARG A 9 1.137 4.971 -18.664 1.00 0.00 C ATOM 131 NE ARG A 9 2.589 4.781 -18.935 1.00 0.00 N ATOM 132 CZ ARG A 9 3.313 5.788 -19.340 1.00 0.00 C ATOM 133 NH1 ARG A 9 4.083 6.420 -18.497 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.267 6.164 -20.589 1.00 0.00 N ATOM 0 H ARG A 9 3.004 3.184 -14.203 1.00 0.00 H new ATOM 0 HA ARG A 9 0.550 4.765 -14.961 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.462 4.869 -16.545 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.457 3.120 -16.654 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.489 3.058 -17.892 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.208 4.432 -17.058 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.557 4.745 -19.559 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.937 6.012 -18.409 1.00 0.00 H new ATOM 0 HE ARG A 9 3.017 3.864 -18.804 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.119 6.127 -17.521 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.649 7.207 -18.814 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.665 5.671 -21.248 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.833 6.951 -20.906 1.00 0.00 H new ATOM 148 N ILE A 10 -0.687 2.617 -14.314 1.00 0.00 N ATOM 149 CA ILE A 10 -1.412 1.347 -14.058 1.00 0.00 C ATOM 150 C ILE A 10 -2.551 1.184 -15.067 1.00 0.00 C ATOM 151 O ILE A 10 -3.432 2.003 -15.162 1.00 0.00 O ATOM 152 CB ILE A 10 -1.950 1.380 -12.620 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.922 2.056 -11.693 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.197 -0.044 -12.120 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.660 2.751 -10.556 1.00 0.00 C ATOM 0 H ILE A 10 -1.161 3.464 -14.000 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.742 0.495 -14.174 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.885 1.941 -12.612 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.230 1.314 -11.295 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.328 2.778 -12.253 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.578 -0.010 -11.099 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.927 -0.534 -12.764 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.262 -0.604 -12.140 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.939 3.232 -9.895 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.335 3.503 -10.966 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.235 2.016 -9.992 1.00 0.00 H new ATOM 167 N ARG A 11 -2.527 0.132 -15.834 1.00 0.00 N ATOM 168 CA ARG A 11 -3.596 -0.078 -16.848 1.00 0.00 C ATOM 169 C ARG A 11 -4.672 -1.014 -16.280 1.00 0.00 C ATOM 170 O ARG A 11 -4.403 -1.849 -15.442 1.00 0.00 O ATOM 171 CB ARG A 11 -2.953 -0.673 -18.118 1.00 0.00 C ATOM 172 CG ARG A 11 -3.828 -1.776 -18.725 1.00 0.00 C ATOM 173 CD ARG A 11 -3.500 -3.107 -18.048 1.00 0.00 C ATOM 174 NE ARG A 11 -4.761 -3.849 -17.771 1.00 0.00 N ATOM 175 CZ ARG A 11 -5.193 -4.740 -18.621 1.00 0.00 C ATOM 176 NH1 ARG A 11 -4.875 -4.648 -19.883 1.00 0.00 N ATOM 177 NH2 ARG A 11 -5.945 -5.723 -18.207 1.00 0.00 N ATOM 0 H ARG A 11 -1.811 -0.594 -15.803 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.076 0.867 -17.100 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.798 0.117 -18.853 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.971 -1.078 -17.874 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.883 -1.536 -18.590 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.652 -1.847 -19.798 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.849 -3.702 -18.689 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.958 -2.930 -17.119 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.287 -3.661 -16.917 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.288 -3.879 -20.206 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.213 -5.345 -20.546 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.194 -5.794 -17.220 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.284 -6.420 -18.870 1.00 0.00 H new ATOM 191 N THR A 12 -5.887 -0.880 -16.742 1.00 0.00 N ATOM 192 CA THR A 12 -6.985 -1.759 -16.243 1.00 0.00 C ATOM 193 C THR A 12 -7.382 -2.738 -17.355 1.00 0.00 C ATOM 194 O THR A 12 -6.805 -2.720 -18.424 1.00 0.00 O ATOM 195 CB THR A 12 -8.202 -0.908 -15.846 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.194 -0.998 -16.860 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.792 0.556 -15.665 1.00 0.00 C ATOM 0 H THR A 12 -6.167 -0.197 -17.446 1.00 0.00 H new ATOM 0 HA THR A 12 -6.641 -2.310 -15.368 1.00 0.00 H new ATOM 0 HB THR A 12 -8.601 -1.283 -14.904 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.070 -0.777 -16.481 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.664 1.146 -15.384 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.037 0.628 -14.882 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.382 0.937 -16.600 1.00 0.00 H new ATOM 205 N PRO A 13 -8.357 -3.566 -17.074 1.00 0.00 N ATOM 206 CA PRO A 13 -8.849 -4.564 -18.038 1.00 0.00 C ATOM 207 C PRO A 13 -9.791 -3.906 -19.051 1.00 0.00 C ATOM 208 O PRO A 13 -10.093 -4.464 -20.087 1.00 0.00 O ATOM 209 CB PRO A 13 -9.601 -5.569 -17.161 1.00 0.00 C ATOM 210 CG PRO A 13 -9.984 -4.817 -15.863 1.00 0.00 C ATOM 211 CD PRO A 13 -9.058 -3.587 -15.774 1.00 0.00 C ATOM 0 HA PRO A 13 -8.054 -5.029 -18.621 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.490 -5.941 -17.671 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.976 -6.434 -16.939 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.030 -4.513 -15.886 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.858 -5.460 -14.992 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.627 -2.671 -15.613 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.356 -3.676 -14.945 1.00 0.00 H new ATOM 219 N SER A 14 -10.257 -2.723 -18.758 1.00 0.00 N ATOM 220 CA SER A 14 -11.178 -2.029 -19.703 1.00 0.00 C ATOM 221 C SER A 14 -10.371 -1.103 -20.615 1.00 0.00 C ATOM 222 O SER A 14 -10.921 -0.325 -21.369 1.00 0.00 O ATOM 223 CB SER A 14 -12.193 -1.205 -18.910 1.00 0.00 C ATOM 224 OG SER A 14 -11.626 -0.841 -17.658 1.00 0.00 O ATOM 0 H SER A 14 -10.040 -2.207 -17.905 1.00 0.00 H new ATOM 0 HA SER A 14 -11.702 -2.768 -20.309 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.471 -0.312 -19.470 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.105 -1.781 -18.756 1.00 0.00 H new ATOM 0 HG SER A 14 -11.609 0.136 -17.578 1.00 0.00 H new ATOM 230 N GLY A 15 -9.069 -1.178 -20.555 1.00 0.00 N ATOM 231 CA GLY A 15 -8.231 -0.301 -21.420 1.00 0.00 C ATOM 232 C GLY A 15 -8.032 1.053 -20.737 1.00 0.00 C ATOM 233 O GLY A 15 -7.535 1.991 -21.329 1.00 0.00 O ATOM 0 H GLY A 15 -8.550 -1.809 -19.944 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.265 -0.772 -21.606 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.710 -0.164 -22.389 1.00 0.00 H new ATOM 237 N GLU A 16 -8.415 1.164 -19.495 1.00 0.00 N ATOM 238 CA GLU A 16 -8.247 2.456 -18.775 1.00 0.00 C ATOM 239 C GLU A 16 -6.807 2.575 -18.269 1.00 0.00 C ATOM 240 O GLU A 16 -6.062 1.616 -18.261 1.00 0.00 O ATOM 241 CB GLU A 16 -9.212 2.505 -17.588 1.00 0.00 C ATOM 242 CG GLU A 16 -10.284 3.566 -17.843 1.00 0.00 C ATOM 243 CD GLU A 16 -11.429 2.952 -18.652 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.948 1.933 -18.228 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.767 3.512 -19.682 1.00 0.00 O ATOM 0 H GLU A 16 -8.838 0.414 -18.948 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.462 3.282 -19.453 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.678 1.530 -17.444 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.667 2.736 -16.673 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.660 3.953 -16.896 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.854 4.409 -18.383 1.00 0.00 H new ATOM 252 N PHE A 17 -6.410 3.745 -17.847 1.00 0.00 N ATOM 253 CA PHE A 17 -5.017 3.921 -17.345 1.00 0.00 C ATOM 254 C PHE A 17 -5.016 4.871 -16.143 1.00 0.00 C ATOM 255 O PHE A 17 -5.469 5.994 -16.227 1.00 0.00 O ATOM 256 CB PHE A 17 -4.147 4.526 -18.451 1.00 0.00 C ATOM 257 CG PHE A 17 -3.396 3.436 -19.183 1.00 0.00 C ATOM 258 CD1 PHE A 17 -2.179 2.957 -18.678 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.912 2.913 -20.375 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.481 1.956 -19.366 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.213 1.913 -21.063 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.998 1.435 -20.559 1.00 0.00 C ATOM 0 H PHE A 17 -6.989 4.585 -17.828 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.621 2.950 -17.048 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.771 5.081 -19.152 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.442 5.237 -18.021 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.780 3.360 -17.759 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.850 3.281 -20.764 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.544 1.586 -18.976 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.612 1.511 -21.983 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.459 0.664 -21.090 1.00 0.00 H new ATOM 272 N LEU A 18 -4.489 4.435 -15.031 1.00 0.00 N ATOM 273 CA LEU A 18 -4.432 5.316 -13.834 1.00 0.00 C ATOM 274 C LEU A 18 -3.013 5.851 -13.707 1.00 0.00 C ATOM 275 O LEU A 18 -2.089 5.127 -13.382 1.00 0.00 O ATOM 276 CB LEU A 18 -4.767 4.544 -12.556 1.00 0.00 C ATOM 277 CG LEU A 18 -6.052 3.739 -12.725 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.165 4.624 -13.290 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.790 2.579 -13.676 1.00 0.00 C ATOM 0 H LEU A 18 -4.095 3.503 -14.902 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.159 6.119 -13.957 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.944 3.874 -12.305 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.876 5.240 -11.724 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.368 3.360 -11.753 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.075 4.035 -13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.353 5.453 -12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.861 5.015 -14.261 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.704 1.998 -13.802 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.470 2.967 -14.643 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.008 1.940 -13.264 1.00 0.00 H new ATOM 291 N GLU A 19 -2.835 7.106 -13.953 1.00 0.00 N ATOM 292 CA GLU A 19 -1.474 7.697 -13.834 1.00 0.00 C ATOM 293 C GLU A 19 -1.244 8.074 -12.374 1.00 0.00 C ATOM 294 O GLU A 19 -2.024 8.795 -11.784 1.00 0.00 O ATOM 295 CB GLU A 19 -1.368 8.942 -14.717 1.00 0.00 C ATOM 296 CG GLU A 19 -0.569 8.608 -15.978 1.00 0.00 C ATOM 297 CD GLU A 19 0.836 9.205 -15.866 1.00 0.00 C ATOM 298 OE1 GLU A 19 1.142 9.756 -14.821 1.00 0.00 O ATOM 299 OE2 GLU A 19 1.580 9.101 -16.827 1.00 0.00 O ATOM 0 H GLU A 19 -3.570 7.756 -14.232 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.722 6.978 -14.159 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.363 9.295 -14.987 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.882 9.749 -14.169 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.507 7.527 -16.106 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.075 9.005 -16.858 1.00 0.00 H new ATOM 306 N ARG A 20 -0.203 7.573 -11.770 1.00 0.00 N ATOM 307 CA ARG A 20 0.026 7.894 -10.337 1.00 0.00 C ATOM 308 C ARG A 20 1.497 8.179 -10.058 1.00 0.00 C ATOM 309 O ARG A 20 2.366 7.389 -10.363 1.00 0.00 O ATOM 310 CB ARG A 20 -0.403 6.697 -9.494 1.00 0.00 C ATOM 311 CG ARG A 20 -0.795 7.155 -8.088 1.00 0.00 C ATOM 312 CD ARG A 20 -1.847 8.265 -8.173 1.00 0.00 C ATOM 313 NE ARG A 20 -2.494 8.439 -6.842 1.00 0.00 N ATOM 314 CZ ARG A 20 -3.110 9.554 -6.558 1.00 0.00 C ATOM 315 NH1 ARG A 20 -3.707 10.230 -7.502 1.00 0.00 N ATOM 316 NH2 ARG A 20 -3.131 9.993 -5.329 1.00 0.00 N ATOM 0 H ARG A 20 0.491 6.962 -12.202 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.553 8.783 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.245 6.192 -9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.410 5.974 -9.435 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.188 6.313 -7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.085 7.516 -7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.381 9.199 -8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.596 8.014 -8.924 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.455 7.687 -6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.692 9.887 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.188 11.101 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.666 9.465 -4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.612 10.864 -5.107 1.00 0.00 H new ATOM 330 N ARG A 21 1.773 9.283 -9.428 1.00 0.00 N ATOM 331 CA ARG A 21 3.175 9.602 -9.063 1.00 0.00 C ATOM 332 C ARG A 21 3.277 9.443 -7.549 1.00 0.00 C ATOM 333 O ARG A 21 2.568 10.094 -6.807 1.00 0.00 O ATOM 334 CB ARG A 21 3.504 11.043 -9.460 1.00 0.00 C ATOM 335 CG ARG A 21 4.942 11.370 -9.051 1.00 0.00 C ATOM 336 CD ARG A 21 5.156 12.883 -9.100 1.00 0.00 C ATOM 337 NE ARG A 21 4.431 13.524 -7.968 1.00 0.00 N ATOM 338 CZ ARG A 21 4.133 14.793 -8.018 1.00 0.00 C ATOM 339 NH1 ARG A 21 3.437 15.259 -9.019 1.00 0.00 N ATOM 340 NH2 ARG A 21 4.531 15.595 -7.070 1.00 0.00 N ATOM 0 H ARG A 21 1.083 9.981 -9.149 1.00 0.00 H new ATOM 0 HA ARG A 21 3.876 8.944 -9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.382 11.172 -10.536 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.812 11.732 -8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.139 10.997 -8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.644 10.871 -9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.220 13.113 -9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.796 13.281 -10.049 1.00 0.00 H new ATOM 0 HE ARG A 21 4.167 12.970 -7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.127 14.631 -9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.203 16.251 -9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.076 15.230 -6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.298 16.587 -7.110 1.00 0.00 H new ATOM 354 N PHE A 22 4.112 8.566 -7.071 1.00 0.00 N ATOM 355 CA PHE A 22 4.182 8.376 -5.596 1.00 0.00 C ATOM 356 C PHE A 22 5.516 8.826 -5.033 1.00 0.00 C ATOM 357 O PHE A 22 6.558 8.600 -5.612 1.00 0.00 O ATOM 358 CB PHE A 22 4.064 6.899 -5.242 1.00 0.00 C ATOM 359 CG PHE A 22 2.866 6.267 -5.878 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.589 6.508 -5.367 1.00 0.00 C ATOM 361 CD2 PHE A 22 3.044 5.405 -6.959 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.485 5.884 -5.948 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.943 4.782 -7.536 1.00 0.00 C ATOM 364 CZ PHE A 22 0.665 5.021 -7.033 1.00 0.00 C ATOM 0 H PHE A 22 4.739 7.982 -7.625 1.00 0.00 H new ATOM 0 HA PHE A 22 3.366 8.965 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.964 6.376 -5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.001 6.789 -4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.457 7.174 -4.527 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.035 5.221 -7.347 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.506 6.067 -5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.078 4.113 -8.373 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.189 4.538 -7.483 1.00 0.00 H new ATOM 374 N LEU A 23 5.496 9.373 -3.854 1.00 0.00 N ATOM 375 CA LEU A 23 6.768 9.737 -3.202 1.00 0.00 C ATOM 376 C LEU A 23 7.352 8.421 -2.702 1.00 0.00 C ATOM 377 O LEU A 23 6.646 7.603 -2.156 1.00 0.00 O ATOM 378 CB LEU A 23 6.508 10.675 -2.021 1.00 0.00 C ATOM 379 CG LEU A 23 6.891 12.104 -2.409 1.00 0.00 C ATOM 380 CD1 LEU A 23 6.731 13.022 -1.197 1.00 0.00 C ATOM 381 CD2 LEU A 23 8.347 12.131 -2.879 1.00 0.00 C ATOM 0 H LEU A 23 4.653 9.581 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 23 7.442 10.254 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.457 10.634 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.087 10.355 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 23 6.242 12.448 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.004 14.040 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.694 13.003 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.380 12.678 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.621 13.149 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.996 11.787 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.463 11.476 -3.743 1.00 0.00 H new ATOM 393 N ALA A 24 8.606 8.177 -2.908 1.00 0.00 N ATOM 394 CA ALA A 24 9.180 6.877 -2.457 1.00 0.00 C ATOM 395 C ALA A 24 8.680 6.522 -1.047 1.00 0.00 C ATOM 396 O ALA A 24 8.666 5.368 -0.662 1.00 0.00 O ATOM 397 CB ALA A 24 10.702 6.971 -2.461 1.00 0.00 C ATOM 0 H ALA A 24 9.261 8.812 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 24 8.858 6.092 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.126 6.022 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.050 7.193 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.019 7.764 -1.784 1.00 0.00 H new ATOM 403 N SER A 25 8.268 7.493 -0.273 1.00 0.00 N ATOM 404 CA SER A 25 7.774 7.187 1.103 1.00 0.00 C ATOM 405 C SER A 25 6.262 6.927 1.076 1.00 0.00 C ATOM 406 O SER A 25 5.662 6.607 2.083 1.00 0.00 O ATOM 407 CB SER A 25 8.068 8.373 2.022 1.00 0.00 C ATOM 408 OG SER A 25 7.141 9.417 1.752 1.00 0.00 O ATOM 0 H SER A 25 8.252 8.479 -0.532 1.00 0.00 H new ATOM 0 HA SER A 25 8.282 6.297 1.474 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.994 8.066 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.087 8.726 1.865 1.00 0.00 H new ATOM 0 HG SER A 25 7.325 10.179 2.341 1.00 0.00 H new ATOM 414 N ASN A 26 5.643 7.062 -0.064 1.00 0.00 N ATOM 415 CA ASN A 26 4.172 6.825 -0.155 1.00 0.00 C ATOM 416 C ASN A 26 3.836 5.433 0.386 1.00 0.00 C ATOM 417 O ASN A 26 4.683 4.744 0.921 1.00 0.00 O ATOM 418 CB ASN A 26 3.730 6.922 -1.617 1.00 0.00 C ATOM 419 CG ASN A 26 2.882 8.183 -1.812 1.00 0.00 C ATOM 420 OD1 ASN A 26 3.118 8.951 -2.722 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.900 8.427 -0.989 1.00 0.00 N ATOM 0 H ASN A 26 6.093 7.327 -0.940 1.00 0.00 H new ATOM 0 HA ASN A 26 3.650 7.577 0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.602 6.953 -2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.155 6.038 -1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.329 9.264 -1.110 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.703 7.781 -0.225 1.00 0.00 H new ATOM 428 N LYS A 27 2.605 5.013 0.257 1.00 0.00 N ATOM 429 CA LYS A 27 2.222 3.666 0.772 1.00 0.00 C ATOM 430 C LYS A 27 1.403 2.909 -0.278 1.00 0.00 C ATOM 431 O LYS A 27 0.582 3.473 -0.987 1.00 0.00 O ATOM 432 CB LYS A 27 1.389 3.826 2.046 1.00 0.00 C ATOM 433 CG LYS A 27 1.883 5.044 2.829 1.00 0.00 C ATOM 434 CD LYS A 27 0.973 6.239 2.541 1.00 0.00 C ATOM 435 CE LYS A 27 1.140 7.285 3.645 1.00 0.00 C ATOM 436 NZ LYS A 27 2.147 8.298 3.221 1.00 0.00 N ATOM 0 H LYS A 27 1.851 5.542 -0.181 1.00 0.00 H new ATOM 0 HA LYS A 27 3.128 3.101 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.336 3.946 1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.468 2.929 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.887 4.826 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.909 5.279 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.221 6.674 1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.066 5.914 2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.185 7.769 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.459 6.805 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.261 9.009 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.059 7.829 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.825 8.764 2.349 1.00 0.00 H new ATOM 450 N LEU A 28 1.615 1.625 -0.381 1.00 0.00 N ATOM 451 CA LEU A 28 0.851 0.828 -1.375 1.00 0.00 C ATOM 452 C LEU A 28 -0.645 1.036 -1.137 1.00 0.00 C ATOM 453 O LEU A 28 -1.408 1.231 -2.063 1.00 0.00 O ATOM 454 CB LEU A 28 1.174 -0.654 -1.210 1.00 0.00 C ATOM 455 CG LEU A 28 1.457 -1.291 -2.569 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.529 -0.525 -3.333 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.908 -2.731 -2.348 1.00 0.00 C ATOM 0 H LEU A 28 2.283 1.097 0.180 1.00 0.00 H new ATOM 0 HA LEU A 28 1.123 1.150 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.039 -0.774 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.339 -1.164 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 28 0.545 -1.264 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.704 -1.007 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.197 0.500 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.454 -0.520 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.114 -3.200 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.812 -2.740 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.121 -3.284 -1.836 1.00 0.00 H new ATOM 469 N GLN A 29 -1.077 0.995 0.100 1.00 0.00 N ATOM 470 CA GLN A 29 -2.526 1.191 0.380 1.00 0.00 C ATOM 471 C GLN A 29 -2.986 2.467 -0.319 1.00 0.00 C ATOM 472 O GLN A 29 -4.030 2.498 -0.940 1.00 0.00 O ATOM 473 CB GLN A 29 -2.756 1.307 1.896 1.00 0.00 C ATOM 474 CG GLN A 29 -4.060 2.063 2.179 1.00 0.00 C ATOM 475 CD GLN A 29 -4.395 1.966 3.668 1.00 0.00 C ATOM 476 OE1 GLN A 29 -3.510 1.897 4.498 1.00 0.00 O ATOM 477 NE2 GLN A 29 -5.644 1.958 4.044 1.00 0.00 N ATOM 0 H GLN A 29 -0.491 0.835 0.919 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.096 0.339 0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.800 0.313 2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.918 1.827 2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.958 3.108 1.886 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.872 1.644 1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.387 2.016 3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.878 1.894 5.035 1.00 0.00 H new ATOM 486 N ILE A 30 -2.219 3.521 -0.241 1.00 0.00 N ATOM 487 CA ILE A 30 -2.644 4.765 -0.926 1.00 0.00 C ATOM 488 C ILE A 30 -2.732 4.476 -2.416 1.00 0.00 C ATOM 489 O ILE A 30 -3.675 4.849 -3.077 1.00 0.00 O ATOM 490 CB ILE A 30 -1.638 5.893 -0.656 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.432 7.186 -0.448 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.662 6.058 -1.836 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.531 8.406 -0.665 1.00 0.00 C ATOM 0 H ILE A 30 -1.332 3.571 0.260 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.615 5.089 -0.550 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.046 5.655 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.273 7.219 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.847 7.207 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.039 6.863 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.112 5.129 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.221 6.299 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.110 9.317 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.705 8.379 0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.137 8.391 -1.681 1.00 0.00 H new ATOM 505 N VAL A 31 -1.763 3.791 -2.947 1.00 0.00 N ATOM 506 CA VAL A 31 -1.828 3.464 -4.397 1.00 0.00 C ATOM 507 C VAL A 31 -3.160 2.786 -4.648 1.00 0.00 C ATOM 508 O VAL A 31 -3.935 3.174 -5.500 1.00 0.00 O ATOM 509 CB VAL A 31 -0.706 2.503 -4.786 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.523 2.544 -6.302 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.587 2.926 -4.096 1.00 0.00 C ATOM 0 H VAL A 31 -0.941 3.447 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.721 4.375 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.959 1.489 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.276 1.861 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.451 2.243 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.264 3.557 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.388 2.241 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.851 3.937 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.447 2.903 -3.015 1.00 0.00 H new ATOM 521 N PHE A 32 -3.416 1.765 -3.893 1.00 0.00 N ATOM 522 CA PHE A 32 -4.690 1.011 -4.044 1.00 0.00 C ATOM 523 C PHE A 32 -5.889 1.955 -3.920 1.00 0.00 C ATOM 524 O PHE A 32 -6.844 1.855 -4.668 1.00 0.00 O ATOM 525 CB PHE A 32 -4.767 -0.042 -2.937 1.00 0.00 C ATOM 526 CG PHE A 32 -3.528 -0.915 -2.967 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.601 -0.794 -4.014 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.304 -1.850 -1.945 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.465 -1.605 -4.037 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.164 -2.660 -1.973 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.249 -2.539 -3.016 1.00 0.00 C ATOM 0 H PHE A 32 -2.792 1.413 -3.167 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.715 0.539 -5.026 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.856 0.445 -1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.658 -0.656 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.767 -0.074 -4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.013 -1.944 -1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.752 -1.512 -4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.993 -3.379 -1.186 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.371 -3.167 -3.038 1.00 0.00 H new ATOM 541 N ASP A 33 -5.864 2.861 -2.981 1.00 0.00 N ATOM 542 CA ASP A 33 -7.023 3.787 -2.822 1.00 0.00 C ATOM 543 C ASP A 33 -7.091 4.752 -4.008 1.00 0.00 C ATOM 544 O ASP A 33 -8.140 4.971 -4.588 1.00 0.00 O ATOM 545 CB ASP A 33 -6.860 4.587 -1.528 1.00 0.00 C ATOM 546 CG ASP A 33 -8.032 4.287 -0.590 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.231 3.125 -0.278 1.00 0.00 O ATOM 548 OD2 ASP A 33 -8.709 5.224 -0.201 1.00 0.00 O ATOM 0 H ASP A 33 -5.098 3.000 -2.322 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.943 3.203 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.918 4.328 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.822 5.654 -1.750 1.00 0.00 H new ATOM 553 N PHE A 34 -5.985 5.337 -4.371 1.00 0.00 N ATOM 554 CA PHE A 34 -5.988 6.295 -5.507 1.00 0.00 C ATOM 555 C PHE A 34 -6.602 5.626 -6.742 1.00 0.00 C ATOM 556 O PHE A 34 -7.477 6.173 -7.383 1.00 0.00 O ATOM 557 CB PHE A 34 -4.534 6.729 -5.794 1.00 0.00 C ATOM 558 CG PHE A 34 -4.109 6.283 -7.175 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.619 6.927 -8.309 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.229 5.210 -7.315 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.245 6.492 -9.585 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.850 4.780 -8.586 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.359 5.419 -9.724 1.00 0.00 C ATOM 0 H PHE A 34 -5.078 5.192 -3.928 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.584 7.173 -5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.450 7.813 -5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.866 6.301 -5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.300 7.758 -8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.841 4.712 -6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.640 6.984 -10.461 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.163 3.953 -8.693 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.067 5.083 -10.708 1.00 0.00 H new ATOM 573 N VAL A 35 -6.138 4.456 -7.093 1.00 0.00 N ATOM 574 CA VAL A 35 -6.704 3.792 -8.306 1.00 0.00 C ATOM 575 C VAL A 35 -8.170 3.457 -8.058 1.00 0.00 C ATOM 576 O VAL A 35 -9.036 3.851 -8.815 1.00 0.00 O ATOM 577 CB VAL A 35 -5.951 2.489 -8.642 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.916 2.760 -9.734 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.245 1.936 -7.402 1.00 0.00 C ATOM 0 H VAL A 35 -5.407 3.939 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.599 4.480 -9.145 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.675 1.753 -8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.385 1.837 -9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.419 3.128 -10.628 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.205 3.508 -9.384 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.720 1.017 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.529 2.671 -7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.982 1.726 -6.627 1.00 0.00 H new ATOM 589 N ALA A 36 -8.468 2.759 -6.996 1.00 0.00 N ATOM 590 CA ALA A 36 -9.889 2.419 -6.723 1.00 0.00 C ATOM 591 C ALA A 36 -10.716 3.702 -6.733 1.00 0.00 C ATOM 592 O ALA A 36 -11.913 3.681 -6.933 1.00 0.00 O ATOM 593 CB ALA A 36 -10.007 1.706 -5.375 1.00 0.00 C ATOM 0 H ALA A 36 -7.794 2.413 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.265 1.746 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.052 1.461 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.417 0.790 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.637 2.359 -4.584 1.00 0.00 H new ATOM 599 N SER A 37 -10.080 4.823 -6.545 1.00 0.00 N ATOM 600 CA SER A 37 -10.825 6.111 -6.575 1.00 0.00 C ATOM 601 C SER A 37 -11.092 6.496 -8.035 1.00 0.00 C ATOM 602 O SER A 37 -11.870 7.384 -8.322 1.00 0.00 O ATOM 603 CB SER A 37 -9.988 7.200 -5.902 1.00 0.00 C ATOM 604 OG SER A 37 -10.651 8.450 -6.032 1.00 0.00 O ATOM 0 H SER A 37 -9.078 4.903 -6.372 1.00 0.00 H new ATOM 0 HA SER A 37 -11.770 6.005 -6.043 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.840 6.962 -4.849 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.000 7.250 -6.360 1.00 0.00 H new ATOM 0 HG SER A 37 -10.118 9.150 -5.600 1.00 0.00 H new ATOM 610 N LYS A 38 -10.438 5.839 -8.960 1.00 0.00 N ATOM 611 CA LYS A 38 -10.634 6.168 -10.403 1.00 0.00 C ATOM 612 C LYS A 38 -11.858 5.425 -10.961 1.00 0.00 C ATOM 613 O LYS A 38 -12.968 5.918 -10.912 1.00 0.00 O ATOM 614 CB LYS A 38 -9.383 5.756 -11.187 1.00 0.00 C ATOM 615 CG LYS A 38 -8.543 6.998 -11.508 1.00 0.00 C ATOM 616 CD LYS A 38 -8.395 7.856 -10.250 1.00 0.00 C ATOM 617 CE LYS A 38 -9.325 9.067 -10.343 1.00 0.00 C ATOM 618 NZ LYS A 38 -8.511 10.313 -10.417 1.00 0.00 N ATOM 0 H LYS A 38 -9.775 5.086 -8.776 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.800 7.240 -10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.794 5.047 -10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.670 5.251 -12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.561 6.700 -11.875 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.018 7.576 -12.301 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.636 7.267 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.362 8.186 -10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.962 8.983 -11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.984 9.101 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.142 11.137 -10.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.921 10.393 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.900 10.279 -11.258 1.00 0.00 H new ATOM 632 N GLY A 39 -11.662 4.252 -11.508 1.00 0.00 N ATOM 633 CA GLY A 39 -12.812 3.490 -12.087 1.00 0.00 C ATOM 634 C GLY A 39 -13.084 2.228 -11.260 1.00 0.00 C ATOM 635 O GLY A 39 -14.051 1.525 -11.470 1.00 0.00 O ATOM 0 H GLY A 39 -10.756 3.789 -11.579 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.702 4.120 -12.106 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.593 3.217 -13.119 1.00 0.00 H new ATOM 745 N LYS A 46 -6.783 -5.737 -6.984 1.00 0.00 N ATOM 746 CA LYS A 46 -5.338 -5.948 -6.713 1.00 0.00 C ATOM 747 C LYS A 46 -4.572 -5.567 -7.977 1.00 0.00 C ATOM 748 O LYS A 46 -4.943 -5.938 -9.073 1.00 0.00 O ATOM 749 CB LYS A 46 -5.082 -7.418 -6.373 1.00 0.00 C ATOM 750 CG LYS A 46 -4.640 -7.532 -4.914 1.00 0.00 C ATOM 751 CD LYS A 46 -5.649 -8.384 -4.140 1.00 0.00 C ATOM 752 CE LYS A 46 -7.021 -7.708 -4.173 1.00 0.00 C ATOM 753 NZ LYS A 46 -8.077 -8.711 -3.857 1.00 0.00 N ATOM 0 HA LYS A 46 -5.013 -5.339 -5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.987 -8.004 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.314 -7.826 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.649 -7.982 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.566 -6.541 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.712 -9.380 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.319 -8.510 -3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.053 -6.891 -3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.200 -7.273 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.010 -8.252 -3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.051 -9.476 -4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.908 -9.106 -2.910 1.00 0.00 H new ATOM 767 N LEU A 47 -3.521 -4.817 -7.842 1.00 0.00 N ATOM 768 CA LEU A 47 -2.755 -4.401 -9.043 1.00 0.00 C ATOM 769 C LEU A 47 -1.630 -5.402 -9.290 1.00 0.00 C ATOM 770 O LEU A 47 -1.134 -6.024 -8.381 1.00 0.00 O ATOM 771 CB LEU A 47 -2.173 -3.013 -8.803 1.00 0.00 C ATOM 772 CG LEU A 47 -3.317 -2.031 -8.547 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.891 -1.016 -7.488 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.659 -1.310 -9.848 1.00 0.00 C ATOM 0 H LEU A 47 -3.159 -4.474 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.408 -4.373 -9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.495 -3.032 -7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.590 -2.695 -9.667 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.194 -2.571 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.707 -0.316 -7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.646 -1.537 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.016 -0.469 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.474 -0.608 -9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.784 -0.767 -10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.964 -2.039 -10.599 1.00 0.00 H new ATOM 786 N LEU A 48 -1.244 -5.583 -10.520 1.00 0.00 N ATOM 787 CA LEU A 48 -0.167 -6.560 -10.826 1.00 0.00 C ATOM 788 C LEU A 48 1.102 -5.802 -11.216 1.00 0.00 C ATOM 789 O LEU A 48 1.092 -4.980 -12.112 1.00 0.00 O ATOM 790 CB LEU A 48 -0.631 -7.463 -11.980 1.00 0.00 C ATOM 791 CG LEU A 48 0.563 -8.154 -12.651 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.225 -7.194 -13.640 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.581 -8.586 -11.593 1.00 0.00 C ATOM 0 H LEU A 48 -1.629 -5.095 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 48 0.047 -7.177 -9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.325 -8.214 -11.603 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.173 -6.869 -12.716 1.00 0.00 H new ATOM 0 HG LEU A 48 0.209 -9.036 -13.185 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.073 -7.688 -14.115 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.503 -6.901 -14.402 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.572 -6.307 -13.109 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.425 -9.076 -12.079 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.934 -7.710 -11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.110 -9.280 -10.897 1.00 0.00 H new ATOM 805 N SER A 49 2.197 -6.070 -10.549 1.00 0.00 N ATOM 806 CA SER A 49 3.463 -5.362 -10.884 1.00 0.00 C ATOM 807 C SER A 49 4.027 -5.962 -12.168 1.00 0.00 C ATOM 808 O SER A 49 4.297 -7.152 -12.242 1.00 0.00 O ATOM 809 CB SER A 49 4.467 -5.544 -9.747 1.00 0.00 C ATOM 810 OG SER A 49 3.901 -6.387 -8.754 1.00 0.00 O ATOM 0 H SER A 49 2.266 -6.747 -9.789 1.00 0.00 H new ATOM 0 HA SER A 49 3.273 -4.298 -11.021 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.391 -5.980 -10.128 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.725 -4.577 -9.316 1.00 0.00 H new ATOM 0 HG SER A 49 3.757 -7.281 -9.128 1.00 0.00 H new ATOM 816 N THR A 50 4.188 -5.148 -13.178 1.00 0.00 N ATOM 817 CA THR A 50 4.705 -5.650 -14.481 1.00 0.00 C ATOM 818 C THR A 50 6.226 -5.522 -14.541 1.00 0.00 C ATOM 819 O THR A 50 6.847 -5.941 -15.498 1.00 0.00 O ATOM 820 CB THR A 50 4.089 -4.830 -15.619 1.00 0.00 C ATOM 821 OG1 THR A 50 4.821 -3.622 -15.778 1.00 0.00 O ATOM 822 CG2 THR A 50 2.629 -4.505 -15.294 1.00 0.00 C ATOM 0 H THR A 50 3.981 -4.149 -13.154 1.00 0.00 H new ATOM 0 HA THR A 50 4.434 -6.701 -14.583 1.00 0.00 H new ATOM 0 HB THR A 50 4.129 -5.407 -16.543 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.546 -2.980 -15.090 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.196 -3.922 -16.107 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.068 -5.432 -15.174 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.581 -3.930 -14.369 1.00 0.00 H new ATOM 830 N PHE A 51 6.844 -4.969 -13.534 1.00 0.00 N ATOM 831 CA PHE A 51 8.327 -4.860 -13.581 1.00 0.00 C ATOM 832 C PHE A 51 8.898 -6.222 -13.179 1.00 0.00 C ATOM 833 O PHE A 51 9.608 -6.841 -13.948 1.00 0.00 O ATOM 834 CB PHE A 51 8.850 -3.743 -12.656 1.00 0.00 C ATOM 835 CG PHE A 51 7.707 -2.928 -12.077 1.00 0.00 C ATOM 836 CD1 PHE A 51 6.719 -2.397 -12.918 1.00 0.00 C ATOM 837 CD2 PHE A 51 7.639 -2.704 -10.695 1.00 0.00 C ATOM 838 CE1 PHE A 51 5.666 -1.647 -12.376 1.00 0.00 C ATOM 839 CE2 PHE A 51 6.588 -1.955 -10.156 1.00 0.00 C ATOM 840 CZ PHE A 51 5.601 -1.427 -10.996 1.00 0.00 C ATOM 0 H PHE A 51 6.397 -4.595 -12.697 1.00 0.00 H new ATOM 0 HA PHE A 51 8.647 -4.591 -14.588 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.434 -4.181 -11.847 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.520 -3.089 -13.214 1.00 0.00 H new ATOM 0 HD1 PHE A 51 6.769 -2.566 -13.984 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.400 -3.111 -10.045 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.905 -1.239 -13.024 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.538 -1.784 -9.091 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.789 -0.850 -10.579 1.00 0.00 H new ATOM 850 N PRO A 52 8.532 -6.677 -12.005 1.00 0.00 N ATOM 851 CA PRO A 52 8.951 -7.991 -11.504 1.00 0.00 C ATOM 852 C PRO A 52 7.960 -9.039 -12.017 1.00 0.00 C ATOM 853 O PRO A 52 8.252 -10.216 -12.087 1.00 0.00 O ATOM 854 CB PRO A 52 8.814 -7.860 -9.989 1.00 0.00 C ATOM 855 CG PRO A 52 7.778 -6.734 -9.748 1.00 0.00 C ATOM 856 CD PRO A 52 7.686 -5.927 -11.057 1.00 0.00 C ATOM 0 HA PRO A 52 9.955 -8.282 -11.814 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.481 -8.798 -9.545 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.772 -7.613 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.807 -7.152 -9.483 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.087 -6.095 -8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.657 -5.857 -11.410 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.046 -4.907 -10.922 1.00 0.00 H new ATOM 864 N ARG A 53 6.770 -8.602 -12.349 1.00 0.00 N ATOM 865 CA ARG A 53 5.724 -9.545 -12.829 1.00 0.00 C ATOM 866 C ARG A 53 5.143 -10.266 -11.614 1.00 0.00 C ATOM 867 O ARG A 53 5.036 -11.475 -11.590 1.00 0.00 O ATOM 868 CB ARG A 53 6.346 -10.566 -13.784 1.00 0.00 C ATOM 869 CG ARG A 53 7.384 -9.874 -14.672 1.00 0.00 C ATOM 870 CD ARG A 53 7.195 -10.319 -16.122 1.00 0.00 C ATOM 871 NE ARG A 53 7.448 -9.167 -17.033 1.00 0.00 N ATOM 872 CZ ARG A 53 8.566 -9.097 -17.700 1.00 0.00 C ATOM 873 NH1 ARG A 53 8.562 -9.224 -18.999 1.00 0.00 N ATOM 874 NH2 ARG A 53 9.691 -8.898 -17.068 1.00 0.00 N ATOM 0 H ARG A 53 6.481 -7.625 -12.306 1.00 0.00 H new ATOM 0 HA ARG A 53 4.941 -9.002 -13.359 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.816 -11.370 -13.217 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.571 -11.021 -14.401 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.279 -8.792 -14.596 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.390 -10.121 -14.333 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.877 -11.137 -16.354 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.183 -10.697 -16.269 1.00 0.00 H new ATOM 0 HE ARG A 53 6.747 -8.433 -17.135 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.683 -9.378 -19.494 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.437 -9.169 -19.520 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.695 -8.797 -16.053 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.566 -8.843 -17.589 1.00 0.00 H new ATOM 888 N ARG A 54 4.787 -9.531 -10.590 1.00 0.00 N ATOM 889 CA ARG A 54 4.239 -10.191 -9.367 1.00 0.00 C ATOM 890 C ARG A 54 3.038 -9.413 -8.825 1.00 0.00 C ATOM 891 O ARG A 54 2.732 -8.331 -9.274 1.00 0.00 O ATOM 892 CB ARG A 54 5.334 -10.276 -8.300 1.00 0.00 C ATOM 893 CG ARG A 54 5.496 -8.923 -7.603 1.00 0.00 C ATOM 894 CD ARG A 54 6.579 -9.036 -6.528 1.00 0.00 C ATOM 895 NE ARG A 54 6.047 -9.807 -5.370 1.00 0.00 N ATOM 896 CZ ARG A 54 6.365 -11.064 -5.220 1.00 0.00 C ATOM 897 NH1 ARG A 54 7.618 -11.412 -5.106 1.00 0.00 N ATOM 898 NH2 ARG A 54 5.430 -11.975 -5.185 1.00 0.00 N ATOM 0 H ARG A 54 4.851 -8.514 -10.548 1.00 0.00 H new ATOM 0 HA ARG A 54 3.906 -11.195 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.080 -11.043 -7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.277 -10.573 -8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.767 -8.157 -8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.551 -8.617 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.461 -9.531 -6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.892 -8.043 -6.205 1.00 0.00 H new ATOM 0 HE ARG A 54 5.434 -9.352 -4.694 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.349 -10.701 -5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.866 -12.394 -4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.451 -11.704 -5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.679 -12.957 -5.068 1.00 0.00 H new ATOM 912 N ASP A 55 2.357 -9.964 -7.855 1.00 0.00 N ATOM 913 CA ASP A 55 1.174 -9.266 -7.273 1.00 0.00 C ATOM 914 C ASP A 55 1.583 -7.885 -6.748 1.00 0.00 C ATOM 915 O ASP A 55 2.286 -7.771 -5.767 1.00 0.00 O ATOM 916 CB ASP A 55 0.610 -10.102 -6.122 1.00 0.00 C ATOM 917 CG ASP A 55 -0.918 -10.051 -6.156 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.459 -9.754 -7.208 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.523 -10.310 -5.128 1.00 0.00 O ATOM 0 H ASP A 55 2.570 -10.871 -7.440 1.00 0.00 H new ATOM 0 HA ASP A 55 0.416 -9.142 -8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.952 -11.134 -6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.976 -9.721 -5.168 1.00 0.00 H new ATOM 924 N VAL A 56 1.124 -6.848 -7.405 1.00 0.00 N ATOM 925 CA VAL A 56 1.432 -5.435 -7.001 1.00 0.00 C ATOM 926 C VAL A 56 2.762 -5.329 -6.251 1.00 0.00 C ATOM 927 O VAL A 56 2.878 -5.684 -5.106 1.00 0.00 O ATOM 928 CB VAL A 56 0.287 -4.876 -6.147 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.395 -5.384 -4.714 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.344 -3.347 -6.156 1.00 0.00 C ATOM 0 H VAL A 56 0.530 -6.923 -8.231 1.00 0.00 H new ATOM 0 HA VAL A 56 1.529 -4.842 -7.910 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.662 -5.211 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.425 -4.978 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.342 -6.473 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.345 -5.065 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.469 -2.949 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.298 -3.016 -5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.244 -2.985 -7.179 1.00 0.00 H new ATOM 940 N THR A 57 3.750 -4.813 -6.928 1.00 0.00 N ATOM 941 CA THR A 57 5.125 -4.620 -6.355 1.00 0.00 C ATOM 942 C THR A 57 5.262 -5.115 -4.900 1.00 0.00 C ATOM 943 O THR A 57 5.237 -4.348 -3.962 1.00 0.00 O ATOM 944 CB THR A 57 5.497 -3.129 -6.435 1.00 0.00 C ATOM 945 OG1 THR A 57 6.228 -2.753 -5.280 1.00 0.00 O ATOM 946 CG2 THR A 57 4.228 -2.274 -6.539 1.00 0.00 C ATOM 0 H THR A 57 3.662 -4.503 -7.896 1.00 0.00 H new ATOM 0 HA THR A 57 5.808 -5.227 -6.950 1.00 0.00 H new ATOM 0 HB THR A 57 6.111 -2.967 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.096 -2.384 -5.548 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.503 -1.221 -6.595 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.674 -2.553 -7.435 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.604 -2.440 -5.661 1.00 0.00 H new ATOM 954 N GLN A 58 5.463 -6.396 -4.724 1.00 0.00 N ATOM 955 CA GLN A 58 5.682 -6.967 -3.348 1.00 0.00 C ATOM 956 C GLN A 58 4.382 -7.127 -2.549 1.00 0.00 C ATOM 957 O GLN A 58 4.362 -7.785 -1.528 1.00 0.00 O ATOM 958 CB GLN A 58 6.633 -6.054 -2.569 1.00 0.00 C ATOM 959 CG GLN A 58 7.812 -5.652 -3.459 1.00 0.00 C ATOM 960 CD GLN A 58 8.369 -6.892 -4.163 1.00 0.00 C ATOM 961 OE1 GLN A 58 8.271 -7.990 -3.651 1.00 0.00 O ATOM 962 NE2 GLN A 58 8.953 -6.762 -5.322 1.00 0.00 N ATOM 0 H GLN A 58 5.486 -7.082 -5.478 1.00 0.00 H new ATOM 0 HA GLN A 58 6.107 -7.962 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.102 -5.165 -2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.996 -6.567 -1.678 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.490 -4.916 -4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.591 -5.182 -2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.035 -5.840 -5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.328 -7.582 -5.799 1.00 0.00 H new ATOM 971 N LEU A 59 3.306 -6.545 -2.982 1.00 0.00 N ATOM 972 CA LEU A 59 2.031 -6.684 -2.220 1.00 0.00 C ATOM 973 C LEU A 59 2.142 -5.961 -0.879 1.00 0.00 C ATOM 974 O LEU A 59 3.073 -5.218 -0.637 1.00 0.00 O ATOM 975 CB LEU A 59 1.731 -8.164 -1.984 1.00 0.00 C ATOM 976 CG LEU A 59 0.637 -8.612 -2.953 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.511 -10.136 -2.915 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.695 -7.981 -2.542 1.00 0.00 C ATOM 0 H LEU A 59 3.249 -5.979 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 59 1.221 -6.239 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.632 -8.759 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.410 -8.323 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 59 0.895 -8.295 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.269 -10.454 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.460 -10.587 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.253 -10.455 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.477 -8.299 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.952 -8.299 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.607 -6.895 -2.570 1.00 0.00 H new ATOM 990 N ASP A 60 1.190 -6.167 -0.009 1.00 0.00 N ATOM 991 CA ASP A 60 1.222 -5.490 1.316 1.00 0.00 C ATOM 992 C ASP A 60 0.750 -4.042 1.154 1.00 0.00 C ATOM 993 O ASP A 60 1.544 -3.156 0.898 1.00 0.00 O ATOM 994 CB ASP A 60 2.649 -5.504 1.870 1.00 0.00 C ATOM 995 CG ASP A 60 3.316 -6.838 1.534 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.894 -7.844 2.080 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.237 -6.832 0.734 1.00 0.00 O ATOM 0 H ASP A 60 0.388 -6.779 -0.162 1.00 0.00 H new ATOM 0 HA ASP A 60 0.564 -6.016 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.223 -4.681 1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.632 -5.356 2.950 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.534 -3.843 1.319 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.147 -2.510 1.197 1.00 0.00 C ATOM 1004 C PRO A 61 -0.734 -1.639 2.377 1.00 0.00 C ATOM 1005 O PRO A 61 -0.923 -0.439 2.382 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.653 -2.798 1.205 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.825 -4.187 1.862 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.483 -4.920 1.671 1.00 0.00 C ATOM 0 HA PRO A 61 -0.841 -1.969 0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.192 -2.034 1.765 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.055 -2.794 0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.069 -4.090 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.641 -4.740 1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.179 -5.439 2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.546 -5.670 0.882 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.145 -2.241 3.363 1.00 0.00 N ATOM 1017 CA ASN A 62 0.307 -1.468 4.549 1.00 0.00 C ATOM 1018 C ASN A 62 1.799 -1.176 4.411 1.00 0.00 C ATOM 1019 O ASN A 62 2.389 -0.503 5.233 1.00 0.00 O ATOM 1020 CB ASN A 62 0.063 -2.287 5.818 1.00 0.00 C ATOM 1021 CG ASN A 62 -0.118 -1.344 7.009 1.00 0.00 C ATOM 1022 OD1 ASN A 62 0.841 -0.802 7.521 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -1.316 -1.123 7.474 1.00 0.00 N ATOM 0 H ASN A 62 0.045 -3.242 3.401 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.249 -0.533 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.823 -2.910 5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.903 -2.959 5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.447 -0.495 8.267 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.122 -1.578 7.045 1.00 0.00 H new ATOM 1030 N LYS A 63 2.417 -1.675 3.374 1.00 0.00 N ATOM 1031 CA LYS A 63 3.866 -1.423 3.189 1.00 0.00 C ATOM 1032 C LYS A 63 4.061 -0.062 2.522 1.00 0.00 C ATOM 1033 O LYS A 63 3.177 0.455 1.867 1.00 0.00 O ATOM 1034 CB LYS A 63 4.468 -2.516 2.304 1.00 0.00 C ATOM 1035 CG LYS A 63 4.850 -3.719 3.169 1.00 0.00 C ATOM 1036 CD LYS A 63 6.204 -3.460 3.833 1.00 0.00 C ATOM 1037 CE LYS A 63 6.832 -4.792 4.248 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.833 -4.555 5.327 1.00 0.00 N ATOM 0 H LYS A 63 1.978 -2.245 2.651 1.00 0.00 H new ATOM 0 HA LYS A 63 4.363 -1.430 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.751 -2.817 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.347 -2.135 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.087 -3.891 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.899 -4.620 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.864 -2.934 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.077 -2.818 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.060 -5.477 4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.311 -5.263 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.260 -5.460 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.575 -3.916 4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.363 -4.123 6.148 1.00 0.00 H new ATOM 1052 N SER A 64 5.218 0.511 2.672 1.00 0.00 N ATOM 1053 CA SER A 64 5.485 1.826 2.038 1.00 0.00 C ATOM 1054 C SER A 64 6.069 1.555 0.658 1.00 0.00 C ATOM 1055 O SER A 64 6.336 0.420 0.315 1.00 0.00 O ATOM 1056 CB SER A 64 6.488 2.615 2.880 1.00 0.00 C ATOM 1057 OG SER A 64 7.808 2.213 2.539 1.00 0.00 O ATOM 0 H SER A 64 5.994 0.123 3.209 1.00 0.00 H new ATOM 0 HA SER A 64 4.568 2.410 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.365 3.684 2.706 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.305 2.442 3.941 1.00 0.00 H new ATOM 0 HG SER A 64 8.453 2.719 3.076 1.00 0.00 H new ATOM 1063 N LEU A 65 6.251 2.552 -0.154 1.00 0.00 N ATOM 1064 CA LEU A 65 6.790 2.270 -1.504 1.00 0.00 C ATOM 1065 C LEU A 65 8.266 1.911 -1.399 1.00 0.00 C ATOM 1066 O LEU A 65 8.708 0.968 -2.000 1.00 0.00 O ATOM 1067 CB LEU A 65 6.615 3.488 -2.403 1.00 0.00 C ATOM 1068 CG LEU A 65 5.200 3.482 -2.983 1.00 0.00 C ATOM 1069 CD1 LEU A 65 4.991 4.749 -3.795 1.00 0.00 C ATOM 1070 CD2 LEU A 65 5.006 2.266 -3.894 1.00 0.00 C ATOM 0 H LEU A 65 6.054 3.531 0.053 1.00 0.00 H new ATOM 0 HA LEU A 65 6.245 1.432 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.785 4.402 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.351 3.471 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 65 4.480 3.434 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.984 4.752 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.120 5.619 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.719 4.786 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.995 2.274 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.726 2.305 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.159 1.353 -3.319 1.00 0.00 H new ATOM 1082 N LEU A 66 9.034 2.630 -0.633 1.00 0.00 N ATOM 1083 CA LEU A 66 10.480 2.280 -0.521 1.00 0.00 C ATOM 1084 C LEU A 66 10.620 0.787 -0.220 1.00 0.00 C ATOM 1085 O LEU A 66 11.424 0.100 -0.818 1.00 0.00 O ATOM 1086 CB LEU A 66 11.123 3.081 0.625 1.00 0.00 C ATOM 1087 CG LEU A 66 11.864 4.347 0.133 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.776 4.518 -1.389 1.00 0.00 C ATOM 1089 CD2 LEU A 66 11.246 5.571 0.809 1.00 0.00 C ATOM 0 H LEU A 66 8.731 3.435 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 66 10.978 2.520 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.350 3.372 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.824 2.441 1.160 1.00 0.00 H new ATOM 0 HG LEU A 66 12.917 4.242 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.311 5.420 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.224 3.653 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.731 4.602 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.759 6.471 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.190 5.636 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.348 5.480 1.890 1.00 0.00 H new ATOM 1101 N GLU A 67 9.846 0.275 0.691 1.00 0.00 N ATOM 1102 CA GLU A 67 9.956 -1.181 1.009 1.00 0.00 C ATOM 1103 C GLU A 67 9.632 -1.974 -0.252 1.00 0.00 C ATOM 1104 O GLU A 67 10.229 -2.995 -0.528 1.00 0.00 O ATOM 1105 CB GLU A 67 8.975 -1.592 2.119 1.00 0.00 C ATOM 1106 CG GLU A 67 8.406 -0.362 2.823 1.00 0.00 C ATOM 1107 CD GLU A 67 7.844 -0.766 4.187 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.633 -1.109 5.053 1.00 0.00 O ATOM 1109 OE2 GLU A 67 6.635 -0.725 4.345 1.00 0.00 O ATOM 0 H GLU A 67 9.148 0.791 1.227 1.00 0.00 H new ATOM 0 HA GLU A 67 10.968 -1.386 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.163 -2.181 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.484 -2.228 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.184 0.391 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.622 0.088 2.214 1.00 0.00 H new ATOM 1116 N VAL A 68 8.693 -1.506 -1.025 1.00 0.00 N ATOM 1117 CA VAL A 68 8.338 -2.230 -2.277 1.00 0.00 C ATOM 1118 C VAL A 68 8.914 -1.478 -3.486 1.00 0.00 C ATOM 1119 O VAL A 68 8.522 -1.710 -4.611 1.00 0.00 O ATOM 1120 CB VAL A 68 6.814 -2.345 -2.390 1.00 0.00 C ATOM 1121 CG1 VAL A 68 6.262 -3.034 -1.138 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.187 -0.957 -2.513 1.00 0.00 C ATOM 0 H VAL A 68 8.158 -0.657 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 68 8.763 -3.234 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 68 6.569 -2.929 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.178 -3.117 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.697 -4.030 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.518 -2.446 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.104 -1.053 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.435 -0.366 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.574 -0.461 -3.403 1.00 0.00 H new ATOM 1132 N LYS A 69 9.845 -0.581 -3.229 1.00 0.00 N ATOM 1133 CA LYS A 69 10.510 0.243 -4.292 1.00 0.00 C ATOM 1134 C LYS A 69 10.041 -0.121 -5.705 1.00 0.00 C ATOM 1135 O LYS A 69 10.655 -0.895 -6.406 1.00 0.00 O ATOM 1136 CB LYS A 69 12.044 0.096 -4.171 1.00 0.00 C ATOM 1137 CG LYS A 69 12.534 -1.315 -4.557 1.00 0.00 C ATOM 1138 CD LYS A 69 11.918 -2.380 -3.644 1.00 0.00 C ATOM 1139 CE LYS A 69 10.887 -3.199 -4.429 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.563 -4.357 -5.077 1.00 0.00 N ATOM 0 H LYS A 69 10.181 -0.382 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 69 10.223 1.282 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.528 0.833 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.347 0.315 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.271 -1.524 -5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.621 -1.357 -4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.698 -3.035 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.443 -1.906 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.101 -3.550 -3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.409 -2.574 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.864 -4.913 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.298 -4.011 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.000 -4.957 -4.348 1.00 0.00 H new ATOM 1207 N GLN A 73 10.155 4.565 -13.187 1.00 0.00 N ATOM 1208 CA GLN A 73 9.052 4.483 -14.179 1.00 0.00 C ATOM 1209 C GLN A 73 8.539 3.045 -14.158 1.00 0.00 C ATOM 1210 O GLN A 73 9.229 2.129 -14.561 1.00 0.00 O ATOM 1211 CB GLN A 73 9.579 4.829 -15.574 1.00 0.00 C ATOM 1212 CG GLN A 73 10.697 5.868 -15.455 1.00 0.00 C ATOM 1213 CD GLN A 73 11.405 6.014 -16.802 1.00 0.00 C ATOM 1214 OE1 GLN A 73 10.802 5.833 -17.842 1.00 0.00 O ATOM 1215 NE2 GLN A 73 12.669 6.337 -16.830 1.00 0.00 N ATOM 0 HA GLN A 73 8.254 5.185 -13.935 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.953 3.931 -16.066 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.771 5.218 -16.193 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.284 6.828 -15.144 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.410 5.564 -14.689 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.176 6.489 -15.958 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.150 6.437 -17.724 1.00 0.00 H new ATOM 1224 N GLU A 74 7.358 2.823 -13.653 1.00 0.00 N ATOM 1225 CA GLU A 74 6.849 1.428 -13.573 1.00 0.00 C ATOM 1226 C GLU A 74 5.367 1.379 -13.975 1.00 0.00 C ATOM 1227 O GLU A 74 4.623 2.314 -13.756 1.00 0.00 O ATOM 1228 CB GLU A 74 7.029 0.919 -12.130 1.00 0.00 C ATOM 1229 CG GLU A 74 8.066 1.768 -11.387 1.00 0.00 C ATOM 1230 CD GLU A 74 7.449 3.117 -11.011 1.00 0.00 C ATOM 1231 OE1 GLU A 74 6.396 3.114 -10.396 1.00 0.00 O ATOM 1232 OE2 GLU A 74 8.041 4.131 -11.345 1.00 0.00 O ATOM 0 H GLU A 74 6.728 3.541 -13.295 1.00 0.00 H new ATOM 0 HA GLU A 74 7.408 0.792 -14.259 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.075 0.956 -11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.346 -0.124 -12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.402 1.248 -10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.944 1.920 -12.015 1.00 0.00 H new ATOM 1239 N THR A 75 4.938 0.295 -14.575 1.00 0.00 N ATOM 1240 CA THR A 75 3.509 0.182 -15.003 1.00 0.00 C ATOM 1241 C THR A 75 2.831 -0.980 -14.265 1.00 0.00 C ATOM 1242 O THR A 75 3.371 -2.064 -14.165 1.00 0.00 O ATOM 1243 CB THR A 75 3.454 -0.071 -16.514 1.00 0.00 C ATOM 1244 OG1 THR A 75 3.904 1.088 -17.202 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.017 -0.390 -16.940 1.00 0.00 C ATOM 0 H THR A 75 5.517 -0.517 -14.787 1.00 0.00 H new ATOM 0 HA THR A 75 2.987 1.108 -14.764 1.00 0.00 H new ATOM 0 HB THR A 75 4.095 -0.918 -16.759 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.871 0.928 -18.168 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.987 -0.568 -18.015 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.671 -1.280 -16.415 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.369 0.451 -16.694 1.00 0.00 H new ATOM 1253 N LEU A 76 1.649 -0.761 -13.750 1.00 0.00 N ATOM 1254 CA LEU A 76 0.931 -1.847 -13.017 1.00 0.00 C ATOM 1255 C LEU A 76 -0.350 -2.223 -13.767 1.00 0.00 C ATOM 1256 O LEU A 76 -0.814 -1.495 -14.618 1.00 0.00 O ATOM 1257 CB LEU A 76 0.559 -1.361 -11.618 1.00 0.00 C ATOM 1258 CG LEU A 76 1.420 -2.074 -10.577 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.810 -1.086 -9.483 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.616 -3.217 -9.957 1.00 0.00 C ATOM 0 H LEU A 76 1.148 0.126 -13.806 1.00 0.00 H new ATOM 0 HA LEU A 76 1.584 -2.717 -12.947 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.704 -0.283 -11.547 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.496 -1.554 -11.425 1.00 0.00 H new ATOM 0 HG LEU A 76 2.318 -2.469 -11.052 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.425 -1.592 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.374 -0.263 -9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.910 -0.696 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.226 -3.729 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.278 -2.816 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.326 -3.922 -10.736 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.933 -3.351 -13.456 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.194 -3.753 -14.153 1.00 0.00 C ATOM 1274 C PHE A 77 -3.315 -3.943 -13.120 1.00 0.00 C ATOM 1275 O PHE A 77 -3.081 -4.371 -12.010 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.969 -5.067 -14.906 1.00 0.00 C ATOM 1277 CG PHE A 77 -0.903 -4.879 -15.963 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.687 -3.618 -16.534 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.132 -5.974 -16.373 1.00 0.00 C ATOM 1280 CE1 PHE A 77 0.300 -3.453 -17.513 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.854 -5.808 -17.353 1.00 0.00 C ATOM 1282 CZ PHE A 77 1.071 -4.548 -17.923 1.00 0.00 C ATOM 0 H PHE A 77 -0.594 -4.009 -12.754 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.478 -2.973 -14.860 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.668 -5.849 -14.209 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.900 -5.394 -15.370 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.282 -2.773 -16.219 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.298 -6.946 -15.933 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.467 -2.481 -17.952 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.448 -6.653 -17.669 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.832 -4.420 -18.678 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.535 -3.635 -13.475 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.659 -3.810 -12.505 1.00 0.00 C ATOM 1294 C LEU A 78 -6.167 -5.252 -12.583 1.00 0.00 C ATOM 1295 O LEU A 78 -6.462 -5.758 -13.647 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.802 -2.850 -12.860 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.361 -2.197 -11.588 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.298 -0.680 -11.720 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.824 -2.600 -11.393 1.00 0.00 C ATOM 0 H LEU A 78 -4.802 -3.271 -14.390 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.307 -3.594 -11.496 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.442 -2.081 -13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.594 -3.391 -13.378 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.766 -2.528 -10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.695 -0.219 -10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.263 -0.370 -11.860 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.891 -0.365 -12.579 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.213 -2.132 -10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.409 -2.271 -12.252 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.894 -3.684 -11.300 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.277 -5.917 -11.467 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.773 -7.322 -11.481 1.00 0.00 C ATOM 1313 C GLU A 79 -7.702 -7.530 -10.286 1.00 0.00 C ATOM 1314 O GLU A 79 -7.329 -7.301 -9.153 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.588 -8.286 -11.384 1.00 0.00 C ATOM 1316 CG GLU A 79 -6.033 -9.687 -11.813 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.958 -10.312 -12.705 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.816 -9.893 -12.606 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -5.296 -11.199 -13.471 1.00 0.00 O ATOM 0 H GLU A 79 -6.045 -5.548 -10.545 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.314 -7.514 -12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.772 -7.941 -12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.208 -8.310 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.201 -10.312 -10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.980 -9.631 -12.351 1.00 0.00 H new