USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 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 26 THR OG1 : rot -173:sc= 0.659 USER MOD Set 1.2: A 28 SER OG : rot -50:sc= 0.732 USER MOD Set 1.3: A 29 SER OG : rot 177:sc= 0.887 USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= 0.888 (180deg=0.887) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.14 (180deg=0.913) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -64:sc= 0.924 USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0.978 (180deg=0.963) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.887 K(o=0.89,f=-2.7!) USER MOD Single : A 39 ASN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -142:sc= -0.0847 (180deg=-2.05) USER MOD Single : A 46 GLN : amide:sc= 0.884 K(o=0.88,f=-0.8) USER MOD Single : A 48 TYR OH : rot -22:sc= 0.825 USER MOD Single : A 49 TYR OH : rot 106:sc= 0.621 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.5) USER MOD Single : A 62 ASN : amide:sc= 1.16 K(o=1.2,f=-6.1!) USER MOD Single : A 64 TYR OH : rot 80:sc= 0.553 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 70:sc= 0.679 USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 4 -6.029 14.479 8.799 1.00 0.00 N ATOM 38 CA ARG A 4 -5.710 13.066 8.958 1.00 0.00 C ATOM 39 C ARG A 4 -5.706 12.354 7.608 1.00 0.00 C ATOM 40 O ARG A 4 -5.806 11.128 7.540 1.00 0.00 O ATOM 41 CB ARG A 4 -6.631 12.374 9.951 1.00 0.00 C ATOM 42 CG ARG A 4 -6.665 13.002 11.336 1.00 0.00 C ATOM 43 CD ARG A 4 -7.682 12.419 12.248 1.00 0.00 C ATOM 44 NE ARG A 4 -7.877 13.159 13.485 1.00 0.00 N ATOM 45 CZ ARG A 4 -8.791 12.850 14.426 1.00 0.00 C ATOM 46 NH1 ARG A 4 -9.619 11.842 14.260 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.849 13.602 15.510 1.00 0.00 N ATOM 0 HA ARG A 4 -4.705 13.007 9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.642 12.370 9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.322 11.333 10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.681 12.897 11.794 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.856 14.070 11.233 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.634 12.361 11.720 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.390 11.398 12.492 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.280 13.969 13.652 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.575 11.281 13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.305 11.621 14.982 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.213 14.392 15.617 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.530 13.393 16.240 1.00 0.00 H new ATOM 61 N LYS A 5 -5.589 13.130 6.536 1.00 0.00 N ATOM 62 CA LYS A 5 -5.548 12.574 5.188 1.00 0.00 C ATOM 63 C LYS A 5 -4.131 12.618 4.626 1.00 0.00 C ATOM 64 O LYS A 5 -3.394 13.579 4.847 1.00 0.00 O ATOM 65 CB LYS A 5 -6.507 13.328 4.266 1.00 0.00 C ATOM 66 CG LYS A 5 -7.957 13.329 4.733 1.00 0.00 C ATOM 67 CD LYS A 5 -8.531 11.922 4.758 1.00 0.00 C ATOM 68 CE LYS A 5 -10.007 11.931 5.132 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.529 10.559 5.371 1.00 0.00 N ATOM 0 H LYS A 5 -5.521 14.147 6.574 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.864 11.532 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.167 14.359 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.459 12.886 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.020 13.767 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.554 13.956 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.405 11.458 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.977 11.314 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.150 12.535 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.580 12.403 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.541 10.609 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.401 9.984 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.011 10.123 6.161 1.00 0.00 H new ATOM 83 N ILE A 6 -3.757 11.573 3.894 1.00 0.00 N ATOM 84 CA ILE A 6 -2.435 11.500 3.286 1.00 0.00 C ATOM 85 C ILE A 6 -2.512 10.943 1.868 1.00 0.00 C ATOM 86 O ILE A 6 -3.439 10.206 1.529 1.00 0.00 O ATOM 87 CB ILE A 6 -1.477 10.630 4.120 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.050 9.222 4.295 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.215 11.274 5.473 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.103 8.257 4.971 1.00 0.00 C ATOM 0 H ILE A 6 -4.352 10.765 3.708 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.047 12.518 3.252 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.529 10.551 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.969 9.284 4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.320 8.826 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.536 10.646 6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.765 12.256 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.156 11.382 6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.580 7.281 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.193 8.164 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.852 8.629 5.964 1.00 0.00 H new ATOM 102 N HIS A 7 -1.531 11.298 1.045 1.00 0.00 N ATOM 103 CA HIS A 7 -1.370 10.675 -0.264 1.00 0.00 C ATOM 104 C HIS A 7 -0.105 9.826 -0.311 1.00 0.00 C ATOM 105 O HIS A 7 0.994 10.311 -0.036 1.00 0.00 O ATOM 106 CB HIS A 7 -1.331 11.736 -1.369 1.00 0.00 C ATOM 107 CG HIS A 7 -2.588 12.540 -1.475 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.659 12.149 -2.252 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.948 13.714 -0.905 1.00 0.00 C ATOM 110 CE1 HIS A 7 -4.623 13.047 -2.153 1.00 0.00 C ATOM 111 NE2 HIS A 7 -4.216 14.007 -1.342 1.00 0.00 N ATOM 0 H HIS A 7 -0.836 12.013 1.261 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.230 10.026 -0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.494 12.409 -1.185 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.142 11.246 -2.324 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.349 14.309 -0.232 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.581 13.004 -2.650 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.756 14.832 -1.083 1.00 0.00 H new ATOM 118 N VAL A 8 -0.265 8.552 -0.657 1.00 0.00 N ATOM 119 CA VAL A 8 0.842 7.603 -0.617 1.00 0.00 C ATOM 120 C VAL A 8 1.308 7.244 -2.023 1.00 0.00 C ATOM 121 O VAL A 8 0.496 7.026 -2.923 1.00 0.00 O ATOM 122 CB VAL A 8 0.455 6.314 0.131 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.620 5.334 0.141 1.00 0.00 C ATOM 124 CG2 VAL A 8 0.018 6.633 1.552 1.00 0.00 C ATOM 0 H VAL A 8 -1.151 8.153 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 8 1.656 8.091 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.382 5.851 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.329 4.429 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.891 5.081 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.475 5.790 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.252 5.710 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.836 7.118 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.844 7.299 1.527 1.00 0.00 H new ATOM 134 N THR A 9 2.623 7.182 -2.208 1.00 0.00 N ATOM 135 CA THR A 9 3.200 6.915 -3.519 1.00 0.00 C ATOM 136 C THR A 9 3.337 5.416 -3.764 1.00 0.00 C ATOM 137 O THR A 9 4.069 4.725 -3.054 1.00 0.00 O ATOM 138 CB THR A 9 4.580 7.580 -3.675 1.00 0.00 C ATOM 139 OG1 THR A 9 4.446 9.001 -3.548 1.00 0.00 O ATOM 140 CG2 THR A 9 5.180 7.250 -5.034 1.00 0.00 C ATOM 0 H THR A 9 3.309 7.313 -1.465 1.00 0.00 H new ATOM 0 HA THR A 9 2.518 7.340 -4.256 1.00 0.00 H new ATOM 0 HB THR A 9 5.240 7.200 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.325 9.423 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.155 7.728 -5.127 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.295 6.170 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.520 7.615 -5.821 1.00 0.00 H new ATOM 148 N VAL A 10 2.628 4.918 -4.772 1.00 0.00 N ATOM 149 CA VAL A 10 2.661 3.499 -5.103 1.00 0.00 C ATOM 150 C VAL A 10 3.650 3.220 -6.228 1.00 0.00 C ATOM 151 O VAL A 10 3.466 3.672 -7.359 1.00 0.00 O ATOM 152 CB VAL A 10 1.270 2.982 -5.514 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.331 1.498 -5.848 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.259 3.235 -4.407 1.00 0.00 C ATOM 0 H VAL A 10 2.023 5.477 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 10 2.981 2.973 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 10 0.951 3.524 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.340 1.149 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.026 1.339 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.671 0.942 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.718 2.863 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.575 2.718 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.195 4.305 -4.211 1.00 0.00 H new ATOM 164 N LYS A 11 4.702 2.471 -5.913 1.00 0.00 N ATOM 165 CA LYS A 11 5.764 2.198 -6.875 1.00 0.00 C ATOM 166 C LYS A 11 5.666 0.770 -7.402 1.00 0.00 C ATOM 167 O LYS A 11 5.814 -0.193 -6.648 1.00 0.00 O ATOM 168 CB LYS A 11 7.136 2.434 -6.243 1.00 0.00 C ATOM 169 CG LYS A 11 7.387 3.872 -5.807 1.00 0.00 C ATOM 170 CD LYS A 11 8.782 4.035 -5.220 1.00 0.00 C ATOM 171 CE LYS A 11 9.020 5.463 -4.748 1.00 0.00 C ATOM 172 NZ LYS A 11 10.412 5.662 -4.260 1.00 0.00 N ATOM 0 H LYS A 11 4.842 2.042 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 11 5.643 2.884 -7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.241 1.781 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.907 2.143 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.269 4.539 -6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.642 4.166 -5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.910 3.347 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.528 3.768 -5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.820 6.154 -5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.318 5.703 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.479 6.574 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.664 4.893 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.067 5.658 -5.068 1.00 0.00 H new ATOM 186 N PHE A 12 5.417 0.639 -8.701 1.00 0.00 N ATOM 187 CA PHE A 12 5.570 -0.641 -9.384 1.00 0.00 C ATOM 188 C PHE A 12 6.869 -0.680 -10.182 1.00 0.00 C ATOM 189 O PHE A 12 7.493 0.347 -10.450 1.00 0.00 O ATOM 190 CB PHE A 12 4.376 -0.904 -10.303 1.00 0.00 C ATOM 191 CG PHE A 12 3.082 -1.122 -9.571 1.00 0.00 C ATOM 192 CD1 PHE A 12 2.747 -2.376 -9.085 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.200 -0.072 -9.366 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.558 -2.579 -8.412 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.009 -0.272 -8.691 1.00 0.00 C ATOM 196 CZ PHE A 12 0.688 -1.525 -8.214 1.00 0.00 C ATOM 0 H PHE A 12 5.108 1.403 -9.302 1.00 0.00 H new ATOM 0 HA PHE A 12 5.609 -1.425 -8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.260 -0.060 -10.983 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.588 -1.780 -10.916 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.424 -3.204 -9.234 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.445 0.912 -9.737 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.309 -3.562 -8.041 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.330 0.554 -8.538 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.241 -1.682 -7.687 1.00 0.00 H new ATOM 206 N PRO A 13 7.288 -1.892 -10.571 1.00 0.00 N ATOM 207 CA PRO A 13 8.533 -2.098 -11.318 1.00 0.00 C ATOM 208 C PRO A 13 8.614 -1.223 -12.562 1.00 0.00 C ATOM 209 O PRO A 13 9.688 -0.748 -12.931 1.00 0.00 O ATOM 210 CB PRO A 13 8.510 -3.589 -11.671 1.00 0.00 C ATOM 211 CG PRO A 13 7.719 -4.219 -10.576 1.00 0.00 C ATOM 212 CD PRO A 13 6.646 -3.219 -10.233 1.00 0.00 C ATOM 0 HA PRO A 13 9.411 -1.819 -10.736 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.048 -3.760 -12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.518 -4.001 -11.720 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.285 -5.166 -10.899 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.347 -4.434 -9.711 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.739 -3.387 -10.814 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.366 -3.274 -9.181 1.00 0.00 H new ATOM 220 N SER A 14 7.470 -1.012 -13.207 1.00 0.00 N ATOM 221 CA SER A 14 7.436 -0.347 -14.504 1.00 0.00 C ATOM 222 C SER A 14 6.537 0.885 -14.458 1.00 0.00 C ATOM 223 O SER A 14 6.515 1.689 -15.391 1.00 0.00 O ATOM 224 CB SER A 14 6.962 -1.310 -15.574 1.00 0.00 C ATOM 225 OG SER A 14 5.659 -1.764 -15.335 1.00 0.00 O ATOM 0 H SER A 14 6.556 -1.292 -12.852 1.00 0.00 H new ATOM 0 HA SER A 14 8.446 -0.020 -14.750 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.002 -0.819 -16.546 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.640 -2.162 -15.620 1.00 0.00 H new ATOM 0 HG SER A 14 5.391 -2.381 -16.048 1.00 0.00 H new ATOM 231 N LYS A 15 5.796 1.030 -13.364 1.00 0.00 N ATOM 232 CA LYS A 15 4.749 2.040 -13.276 1.00 0.00 C ATOM 233 C LYS A 15 4.702 2.654 -11.881 1.00 0.00 C ATOM 234 O LYS A 15 5.202 2.070 -10.919 1.00 0.00 O ATOM 235 CB LYS A 15 3.390 1.438 -13.635 1.00 0.00 C ATOM 236 CG LYS A 15 3.245 1.036 -15.096 1.00 0.00 C ATOM 237 CD LYS A 15 1.840 0.537 -15.397 1.00 0.00 C ATOM 238 CE LYS A 15 1.692 0.141 -16.858 1.00 0.00 C ATOM 239 NZ LYS A 15 0.325 -0.358 -17.166 1.00 0.00 N ATOM 0 H LYS A 15 5.902 0.459 -12.525 1.00 0.00 H new ATOM 0 HA LYS A 15 4.981 2.829 -13.991 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.219 0.561 -13.011 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.611 2.160 -13.391 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.474 1.889 -15.734 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.969 0.256 -15.334 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.613 -0.319 -14.762 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.116 1.315 -15.154 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.915 1.000 -17.491 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.422 -0.631 -17.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.268 -0.617 -18.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.121 -1.194 -16.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.371 0.387 -16.960 1.00 0.00 H new ATOM 253 N GLN A 16 4.096 3.833 -11.779 1.00 0.00 N ATOM 254 CA GLN A 16 3.844 4.451 -10.481 1.00 0.00 C ATOM 255 C GLN A 16 2.448 5.064 -10.434 1.00 0.00 C ATOM 256 O GLN A 16 1.950 5.577 -11.436 1.00 0.00 O ATOM 257 CB GLN A 16 4.893 5.525 -10.183 1.00 0.00 C ATOM 258 CG GLN A 16 6.299 4.984 -9.991 1.00 0.00 C ATOM 259 CD GLN A 16 7.294 6.071 -9.629 1.00 0.00 C ATOM 260 OE1 GLN A 16 6.943 7.253 -9.556 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.543 5.680 -9.405 1.00 0.00 N ATOM 0 H GLN A 16 3.771 4.379 -12.577 1.00 0.00 H new ATOM 0 HA GLN A 16 3.909 3.672 -9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.901 6.246 -11.001 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.598 6.066 -9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.290 4.228 -9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.623 4.489 -10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.789 4.693 -9.476 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.257 6.367 -9.162 1.00 0.00 H new ATOM 270 N PHE A 17 1.822 5.008 -9.264 1.00 0.00 N ATOM 271 CA PHE A 17 0.504 5.603 -9.072 1.00 0.00 C ATOM 272 C PHE A 17 0.403 6.272 -7.704 1.00 0.00 C ATOM 273 O PHE A 17 1.117 5.910 -6.769 1.00 0.00 O ATOM 274 CB PHE A 17 -0.589 4.544 -9.224 1.00 0.00 C ATOM 275 CG PHE A 17 -0.598 3.872 -10.568 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.284 4.431 -11.636 1.00 0.00 C ATOM 277 CD2 PHE A 17 0.080 2.678 -10.767 1.00 0.00 C ATOM 278 CE1 PHE A 17 -1.294 3.814 -12.871 1.00 0.00 C ATOM 279 CE2 PHE A 17 0.072 2.059 -12.002 1.00 0.00 C ATOM 280 CZ PHE A 17 -0.614 2.627 -13.054 1.00 0.00 C ATOM 0 H PHE A 17 2.206 4.557 -8.434 1.00 0.00 H new ATOM 0 HA PHE A 17 0.363 6.365 -9.838 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.459 3.787 -8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.560 5.010 -9.054 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.817 5.360 -11.500 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.620 2.227 -9.947 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.834 4.260 -13.693 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.604 1.130 -12.143 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.619 2.144 -14.020 1.00 0.00 H new ATOM 290 N THR A 18 -0.491 7.251 -7.596 1.00 0.00 N ATOM 291 CA THR A 18 -0.776 7.886 -6.315 1.00 0.00 C ATOM 292 C THR A 18 -2.124 7.437 -5.766 1.00 0.00 C ATOM 293 O THR A 18 -3.107 7.349 -6.503 1.00 0.00 O ATOM 294 CB THR A 18 -0.766 9.422 -6.433 1.00 0.00 C ATOM 295 OG1 THR A 18 0.527 9.862 -6.867 1.00 0.00 O ATOM 296 CG2 THR A 18 -1.092 10.061 -5.092 1.00 0.00 C ATOM 0 H THR A 18 -1.029 7.621 -8.380 1.00 0.00 H new ATOM 0 HA THR A 18 0.012 7.578 -5.628 1.00 0.00 H new ATOM 0 HB THR A 18 -1.521 9.721 -7.160 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.531 10.839 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.081 11.146 -5.194 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.080 9.738 -4.766 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.349 9.758 -4.354 1.00 0.00 H new ATOM 304 N VAL A 19 -2.166 7.154 -4.468 1.00 0.00 N ATOM 305 CA VAL A 19 -3.412 6.796 -3.803 1.00 0.00 C ATOM 306 C VAL A 19 -3.671 7.696 -2.600 1.00 0.00 C ATOM 307 O VAL A 19 -2.736 8.202 -1.979 1.00 0.00 O ATOM 308 CB VAL A 19 -3.406 5.327 -3.342 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.281 4.394 -4.537 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.273 5.082 -2.357 1.00 0.00 C ATOM 0 H VAL A 19 -1.350 7.166 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.209 6.933 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.351 5.121 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.278 3.360 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.124 4.550 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.351 4.603 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.284 4.039 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.320 5.306 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.402 5.725 -1.487 1.00 0.00 H new ATOM 320 N GLU A 20 -4.945 7.890 -2.276 1.00 0.00 N ATOM 321 CA GLU A 20 -5.326 8.721 -1.140 1.00 0.00 C ATOM 322 C GLU A 20 -5.925 7.874 -0.022 1.00 0.00 C ATOM 323 O GLU A 20 -6.917 7.170 -0.224 1.00 0.00 O ATOM 324 CB GLU A 20 -6.319 9.803 -1.573 1.00 0.00 C ATOM 325 CG GLU A 20 -6.772 10.726 -0.452 1.00 0.00 C ATOM 326 CD GLU A 20 -7.782 11.726 -0.942 1.00 0.00 C ATOM 327 OE1 GLU A 20 -8.117 11.684 -2.102 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.302 12.461 -0.134 1.00 0.00 O ATOM 0 H GLU A 20 -5.731 7.483 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.426 9.204 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.863 10.404 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.195 9.322 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.204 10.135 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.910 11.249 -0.038 1.00 0.00 H new ATOM 335 N VAL A 21 -5.319 7.944 1.158 1.00 0.00 N ATOM 336 CA VAL A 21 -5.758 7.143 2.294 1.00 0.00 C ATOM 337 C VAL A 21 -5.776 7.969 3.575 1.00 0.00 C ATOM 338 O VAL A 21 -5.276 9.094 3.607 1.00 0.00 O ATOM 339 CB VAL A 21 -4.856 5.911 2.501 1.00 0.00 C ATOM 340 CG1 VAL A 21 -4.944 4.979 1.302 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.416 6.339 2.737 1.00 0.00 C ATOM 0 H VAL A 21 -4.521 8.549 1.353 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.770 6.806 2.068 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.205 5.373 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.301 4.114 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.974 4.646 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.620 5.508 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.793 5.456 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.057 6.899 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.364 6.969 3.625 1.00 0.00 H new ATOM 351 N ASP A 22 -6.356 7.406 4.628 1.00 0.00 N ATOM 352 CA ASP A 22 -6.385 8.063 5.929 1.00 0.00 C ATOM 353 C ASP A 22 -5.357 7.447 6.872 1.00 0.00 C ATOM 354 O ASP A 22 -5.139 6.235 6.864 1.00 0.00 O ATOM 355 CB ASP A 22 -7.784 7.979 6.545 1.00 0.00 C ATOM 356 CG ASP A 22 -8.016 8.929 7.712 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.289 8.846 8.674 1.00 0.00 O ATOM 358 OD2 ASP A 22 -8.809 9.829 7.571 1.00 0.00 O ATOM 0 H ASP A 22 -6.813 6.495 4.606 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.131 9.113 5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.522 8.188 5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.958 6.958 6.884 1.00 0.00 H new ATOM 363 N ARG A 23 -4.726 8.290 7.684 1.00 0.00 N ATOM 364 CA ARG A 23 -3.654 7.843 8.567 1.00 0.00 C ATOM 365 C ARG A 23 -4.188 6.882 9.626 1.00 0.00 C ATOM 366 O ARG A 23 -3.451 6.042 10.145 1.00 0.00 O ATOM 367 CB ARG A 23 -2.902 9.007 9.195 1.00 0.00 C ATOM 368 CG ARG A 23 -3.654 9.731 10.302 1.00 0.00 C ATOM 369 CD ARG A 23 -2.986 10.966 10.789 1.00 0.00 C ATOM 370 NE ARG A 23 -1.697 10.744 11.423 1.00 0.00 N ATOM 371 CZ ARG A 23 -0.826 11.719 11.747 1.00 0.00 C ATOM 372 NH1 ARG A 23 -1.083 12.978 11.465 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.307 11.375 12.334 1.00 0.00 N ATOM 0 H ARG A 23 -4.938 9.286 7.749 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.932 7.303 7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.959 8.637 9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.655 9.725 8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.649 9.989 9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.787 9.049 11.142 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.851 11.646 9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.645 11.464 11.500 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.434 9.782 11.638 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.953 13.228 10.994 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.413 13.704 11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.502 10.393 12.530 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.986 12.091 12.591 1.00 0.00 H new ATOM 387 N THR A 24 -5.472 7.012 9.942 1.00 0.00 N ATOM 388 CA THR A 24 -6.086 6.205 10.990 1.00 0.00 C ATOM 389 C THR A 24 -6.670 4.918 10.421 1.00 0.00 C ATOM 390 O THR A 24 -7.088 4.033 11.167 1.00 0.00 O ATOM 391 CB THR A 24 -7.195 6.980 11.725 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.267 7.262 10.815 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.653 8.286 12.284 1.00 0.00 C ATOM 0 H THR A 24 -6.107 7.668 9.488 1.00 0.00 H new ATOM 0 HA THR A 24 -5.297 5.960 11.701 1.00 0.00 H new ATOM 0 HB THR A 24 -7.560 6.368 12.550 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.948 7.863 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.451 8.820 12.800 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.846 8.074 12.985 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.273 8.901 11.468 1.00 0.00 H new ATOM 401 N GLU A 25 -6.696 4.820 9.095 1.00 0.00 N ATOM 402 CA GLU A 25 -7.175 3.615 8.428 1.00 0.00 C ATOM 403 C GLU A 25 -6.103 2.529 8.430 1.00 0.00 C ATOM 404 O GLU A 25 -4.911 2.817 8.545 1.00 0.00 O ATOM 405 CB GLU A 25 -7.604 3.931 6.994 1.00 0.00 C ATOM 406 CG GLU A 25 -8.949 4.632 6.880 1.00 0.00 C ATOM 407 CD GLU A 25 -10.085 3.682 7.143 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.845 2.500 7.194 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.171 4.144 7.406 1.00 0.00 O ATOM 0 H GLU A 25 -6.391 5.560 8.462 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.039 3.245 8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.842 4.556 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.643 3.001 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.992 5.459 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.054 5.061 5.884 1.00 0.00 H new ATOM 416 N THR A 26 -6.535 1.278 8.306 1.00 0.00 N ATOM 417 CA THR A 26 -5.623 0.143 8.372 1.00 0.00 C ATOM 418 C THR A 26 -4.941 -0.093 7.030 1.00 0.00 C ATOM 419 O THR A 26 -5.347 0.462 6.009 1.00 0.00 O ATOM 420 CB THR A 26 -6.352 -1.144 8.799 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.338 -1.486 7.817 1.00 0.00 O ATOM 422 CG2 THR A 26 -7.031 -0.951 10.147 1.00 0.00 C ATOM 0 H THR A 26 -7.512 1.025 8.159 1.00 0.00 H new ATOM 0 HA THR A 26 -4.870 0.388 9.121 1.00 0.00 H new ATOM 0 HB THR A 26 -5.620 -1.947 8.884 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.875 -2.239 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.541 -1.871 10.432 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.282 -0.703 10.899 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.757 -0.141 10.076 1.00 0.00 H new ATOM 430 N VAL A 27 -3.900 -0.920 7.038 1.00 0.00 N ATOM 431 CA VAL A 27 -3.167 -1.238 5.819 1.00 0.00 C ATOM 432 C VAL A 27 -4.091 -1.836 4.763 1.00 0.00 C ATOM 433 O VAL A 27 -3.914 -1.603 3.567 1.00 0.00 O ATOM 434 CB VAL A 27 -2.011 -2.219 6.094 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.430 -2.737 4.787 1.00 0.00 C ATOM 436 CG2 VAL A 27 -0.930 -1.549 6.927 1.00 0.00 C ATOM 0 H VAL A 27 -3.546 -1.382 7.876 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.753 -0.301 5.446 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.405 -3.065 6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.615 -3.428 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.206 -3.254 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.052 -1.900 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.122 -2.257 7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.540 -0.685 6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.352 -1.225 7.878 1.00 0.00 H new ATOM 446 N SER A 28 -5.075 -2.607 5.213 1.00 0.00 N ATOM 447 CA SER A 28 -5.998 -3.277 4.305 1.00 0.00 C ATOM 448 C SER A 28 -6.757 -2.262 3.455 1.00 0.00 C ATOM 449 O SER A 28 -7.126 -2.543 2.314 1.00 0.00 O ATOM 450 CB SER A 28 -6.966 -4.145 5.086 1.00 0.00 C ATOM 451 OG SER A 28 -7.895 -3.381 5.803 1.00 0.00 O ATOM 0 H SER A 28 -5.254 -2.783 6.202 1.00 0.00 H new ATOM 0 HA SER A 28 -5.419 -3.913 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.494 -4.807 4.400 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.409 -4.779 5.776 1.00 0.00 H new ATOM 0 HG SER A 28 -7.424 -2.697 6.323 1.00 0.00 H new ATOM 457 N SER A 29 -6.986 -1.081 4.019 1.00 0.00 N ATOM 458 CA SER A 29 -7.638 0.000 3.290 1.00 0.00 C ATOM 459 C SER A 29 -6.738 0.524 2.175 1.00 0.00 C ATOM 460 O SER A 29 -7.203 0.826 1.075 1.00 0.00 O ATOM 461 CB SER A 29 -8.014 1.121 4.240 1.00 0.00 C ATOM 462 OG SER A 29 -8.991 0.723 5.163 1.00 0.00 O ATOM 0 H SER A 29 -6.730 -0.848 4.978 1.00 0.00 H new ATOM 0 HA SER A 29 -8.547 -0.393 2.834 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.125 1.456 4.775 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.382 1.973 3.668 1.00 0.00 H new ATOM 0 HG SER A 29 -9.164 1.454 5.792 1.00 0.00 H new ATOM 468 N LEU A 30 -5.446 0.632 2.469 1.00 0.00 N ATOM 469 CA LEU A 30 -4.461 0.998 1.456 1.00 0.00 C ATOM 470 C LEU A 30 -4.374 -0.069 0.369 1.00 0.00 C ATOM 471 O LEU A 30 -4.263 0.245 -0.815 1.00 0.00 O ATOM 472 CB LEU A 30 -3.088 1.215 2.106 1.00 0.00 C ATOM 473 CG LEU A 30 -2.120 2.096 1.305 1.00 0.00 C ATOM 474 CD1 LEU A 30 -0.839 2.317 2.098 1.00 0.00 C ATOM 475 CD2 LEU A 30 -1.819 1.437 -0.032 1.00 0.00 C ATOM 0 H LEU A 30 -5.057 0.472 3.398 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.780 1.930 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.235 1.664 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.622 0.243 2.267 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.580 3.067 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.158 2.943 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.075 2.810 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.366 1.356 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.131 2.064 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.364 0.461 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.745 1.313 -0.593 1.00 0.00 H new ATOM 487 N LYS A 31 -4.430 -1.330 0.781 1.00 0.00 N ATOM 488 CA LYS A 31 -4.409 -2.444 -0.161 1.00 0.00 C ATOM 489 C LYS A 31 -5.653 -2.434 -1.042 1.00 0.00 C ATOM 490 O LYS A 31 -5.587 -2.760 -2.228 1.00 0.00 O ATOM 491 CB LYS A 31 -4.300 -3.775 0.585 1.00 0.00 C ATOM 492 CG LYS A 31 -2.951 -4.016 1.249 1.00 0.00 C ATOM 493 CD LYS A 31 -2.861 -5.420 1.827 1.00 0.00 C ATOM 494 CE LYS A 31 -1.466 -5.715 2.356 1.00 0.00 C ATOM 495 NZ LYS A 31 -1.342 -7.110 2.856 1.00 0.00 N ATOM 0 H LYS A 31 -4.490 -1.607 1.761 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.534 -2.329 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.078 -3.815 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.497 -4.587 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.154 -3.869 0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.798 -3.284 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.588 -5.531 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.122 -6.148 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.735 -5.548 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.229 -5.019 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.359 -7.289 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.972 -7.243 3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.608 -7.774 2.101 1.00 0.00 H new ATOM 509 N ASP A 32 -6.785 -2.055 -0.459 1.00 0.00 N ATOM 510 CA ASP A 32 -8.017 -1.881 -1.219 1.00 0.00 C ATOM 511 C ASP A 32 -7.823 -0.866 -2.343 1.00 0.00 C ATOM 512 O ASP A 32 -8.258 -1.085 -3.473 1.00 0.00 O ATOM 513 CB ASP A 32 -9.159 -1.440 -0.300 1.00 0.00 C ATOM 514 CG ASP A 32 -9.699 -2.540 0.604 1.00 0.00 C ATOM 515 OD1 ASP A 32 -9.379 -3.682 0.372 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.294 -2.220 1.604 1.00 0.00 O ATOM 0 H ASP A 32 -6.875 -1.862 0.539 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.278 -2.842 -1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.811 -0.614 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.975 -1.057 -0.913 1.00 0.00 H new ATOM 521 N LYS A 33 -7.167 0.244 -2.022 1.00 0.00 N ATOM 522 CA LYS A 33 -6.904 1.287 -3.007 1.00 0.00 C ATOM 523 C LYS A 33 -6.012 0.764 -4.129 1.00 0.00 C ATOM 524 O LYS A 33 -6.239 1.060 -5.302 1.00 0.00 O ATOM 525 CB LYS A 33 -6.257 2.504 -2.342 1.00 0.00 C ATOM 526 CG LYS A 33 -7.186 3.283 -1.419 1.00 0.00 C ATOM 527 CD LYS A 33 -8.306 3.954 -2.200 1.00 0.00 C ATOM 528 CE LYS A 33 -9.234 4.733 -1.279 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.347 5.378 -2.027 1.00 0.00 N ATOM 0 H LYS A 33 -6.808 0.445 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.858 1.590 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.390 2.173 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.889 3.175 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.611 2.610 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.615 4.037 -0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.880 4.627 -2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.877 3.200 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.645 4.061 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.663 5.496 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.956 5.898 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.957 6.038 -2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.908 4.649 -2.512 1.00 0.00 H new ATOM 543 N ILE A 34 -5.000 -0.014 -3.760 1.00 0.00 N ATOM 544 CA ILE A 34 -4.141 -0.664 -4.741 1.00 0.00 C ATOM 545 C ILE A 34 -4.932 -1.644 -5.600 1.00 0.00 C ATOM 546 O ILE A 34 -4.726 -1.731 -6.811 1.00 0.00 O ATOM 547 CB ILE A 34 -2.975 -1.410 -4.066 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.025 -0.416 -3.392 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.229 -2.261 -5.081 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.038 -1.061 -2.447 1.00 0.00 C ATOM 0 H ILE A 34 -4.755 -0.209 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.735 0.124 -5.375 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.382 -2.070 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.476 0.126 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.613 0.319 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.408 -2.781 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.912 -2.991 -5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.831 -1.622 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.400 -0.294 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.578 -1.580 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.423 -1.775 -2.995 1.00 0.00 H new ATOM 562 N HIS A 35 -5.838 -2.381 -4.966 1.00 0.00 N ATOM 563 CA HIS A 35 -6.657 -3.360 -5.672 1.00 0.00 C ATOM 564 C HIS A 35 -7.610 -2.672 -6.643 1.00 0.00 C ATOM 565 O HIS A 35 -7.910 -3.202 -7.715 1.00 0.00 O ATOM 566 CB HIS A 35 -7.446 -4.222 -4.682 1.00 0.00 C ATOM 567 CG HIS A 35 -8.314 -5.251 -5.339 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.798 -6.298 -6.073 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.659 -5.392 -5.374 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.791 -7.041 -6.530 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.929 -6.513 -6.121 1.00 0.00 N ATOM 0 H HIS A 35 -6.024 -2.319 -3.965 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.989 -4.006 -6.242 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.747 -4.723 -4.012 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.069 -3.574 -4.066 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.806 -6.472 -6.237 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.384 -4.745 -4.903 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.688 -7.929 -7.135 1.00 0.00 H new ATOM 578 N ILE A 36 -8.084 -1.490 -6.264 1.00 0.00 N ATOM 579 CA ILE A 36 -8.945 -0.697 -7.133 1.00 0.00 C ATOM 580 C ILE A 36 -8.196 -0.241 -8.380 1.00 0.00 C ATOM 581 O ILE A 36 -8.731 -0.281 -9.489 1.00 0.00 O ATOM 582 CB ILE A 36 -9.506 0.536 -6.399 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.502 0.106 -5.320 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.163 1.488 -7.387 1.00 0.00 C ATOM 585 CD1 ILE A 36 -10.860 1.207 -4.346 1.00 0.00 C ATOM 0 H ILE A 36 -7.886 -1.060 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.775 -1.339 -7.427 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.681 1.059 -5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.413 -0.251 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.083 -0.734 -4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.554 2.354 -6.853 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.427 1.816 -8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.980 0.977 -7.897 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.570 0.826 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.959 1.549 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.309 2.040 -4.887 1.00 0.00 H new ATOM 597 N VAL A 37 -6.954 0.193 -8.194 1.00 0.00 N ATOM 598 CA VAL A 37 -6.132 0.666 -9.301 1.00 0.00 C ATOM 599 C VAL A 37 -5.682 -0.492 -10.186 1.00 0.00 C ATOM 600 O VAL A 37 -5.671 -0.381 -11.411 1.00 0.00 O ATOM 601 CB VAL A 37 -4.892 1.430 -8.800 1.00 0.00 C ATOM 602 CG1 VAL A 37 -3.955 1.742 -9.957 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.306 2.710 -8.091 1.00 0.00 C ATOM 0 H VAL A 37 -6.494 0.227 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.752 1.346 -9.885 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.362 0.797 -8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.084 2.282 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.632 0.812 -10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.476 2.356 -10.692 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.417 3.237 -7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.858 3.346 -8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.939 2.465 -7.238 1.00 0.00 H new ATOM 613 N GLU A 38 -5.314 -1.601 -9.555 1.00 0.00 N ATOM 614 CA GLU A 38 -4.781 -2.750 -10.278 1.00 0.00 C ATOM 615 C GLU A 38 -5.880 -3.767 -10.569 1.00 0.00 C ATOM 616 O GLU A 38 -7.049 -3.541 -10.256 1.00 0.00 O ATOM 617 CB GLU A 38 -3.649 -3.406 -9.486 1.00 0.00 C ATOM 618 CG GLU A 38 -2.437 -2.513 -9.263 1.00 0.00 C ATOM 619 CD GLU A 38 -1.854 -2.047 -10.568 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.593 -2.874 -11.408 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.775 -0.859 -10.769 1.00 0.00 O ATOM 0 H GLU A 38 -5.375 -1.729 -8.545 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.382 -2.395 -11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.036 -3.722 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.330 -4.307 -10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.724 -1.650 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.680 -3.058 -8.698 1.00 0.00 H new ATOM 628 N ASN A 39 -5.496 -4.889 -11.170 1.00 0.00 N ATOM 629 CA ASN A 39 -6.429 -5.984 -11.411 1.00 0.00 C ATOM 630 C ASN A 39 -5.949 -7.266 -10.739 1.00 0.00 C ATOM 631 O ASN A 39 -6.253 -8.371 -11.192 1.00 0.00 O ATOM 632 CB ASN A 39 -6.644 -6.215 -12.896 1.00 0.00 C ATOM 633 CG ASN A 39 -7.283 -5.054 -13.604 1.00 0.00 C ATOM 634 OD1 ASN A 39 -8.479 -4.783 -13.440 1.00 0.00 O ATOM 635 ND2 ASN A 39 -6.515 -4.416 -14.451 1.00 0.00 N ATOM 0 H ASN A 39 -4.546 -5.064 -11.499 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.386 -5.699 -10.973 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.683 -6.429 -13.364 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.268 -7.099 -13.030 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.897 -3.656 -15.014 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.534 -4.679 -14.548 1.00 0.00 H new ATOM 642 N THR A 40 -5.198 -7.113 -9.653 1.00 0.00 N ATOM 643 CA THR A 40 -4.641 -8.256 -8.940 1.00 0.00 C ATOM 644 C THR A 40 -5.232 -8.371 -7.540 1.00 0.00 C ATOM 645 O THR A 40 -5.266 -7.409 -6.773 1.00 0.00 O ATOM 646 CB THR A 40 -3.107 -8.164 -8.834 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.536 -8.129 -10.148 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.552 -9.359 -8.074 1.00 0.00 C ATOM 0 H THR A 40 -4.961 -6.207 -9.248 1.00 0.00 H new ATOM 0 HA THR A 40 -4.902 -9.144 -9.516 1.00 0.00 H new ATOM 0 HB THR A 40 -2.849 -7.253 -8.294 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.560 -8.069 -10.079 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.467 -9.277 -8.009 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.975 -9.380 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.816 -10.278 -8.598 1.00 0.00 H new ATOM 656 N PRO A 41 -5.708 -9.577 -7.195 1.00 0.00 N ATOM 657 CA PRO A 41 -6.275 -9.856 -5.872 1.00 0.00 C ATOM 658 C PRO A 41 -5.340 -9.441 -4.740 1.00 0.00 C ATOM 659 O PRO A 41 -4.121 -9.583 -4.847 1.00 0.00 O ATOM 660 CB PRO A 41 -6.515 -11.368 -5.886 1.00 0.00 C ATOM 661 CG PRO A 41 -6.716 -11.701 -7.325 1.00 0.00 C ATOM 662 CD PRO A 41 -5.786 -10.787 -8.077 1.00 0.00 C ATOM 0 HA PRO A 41 -7.187 -9.288 -5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.666 -11.909 -5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.388 -11.637 -5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.484 -12.748 -7.523 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.752 -11.542 -7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.806 -11.242 -8.224 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.175 -10.541 -9.065 1.00 0.00 H new ATOM 670 N ILE A 42 -5.918 -8.929 -3.660 1.00 0.00 N ATOM 671 CA ILE A 42 -5.135 -8.479 -2.516 1.00 0.00 C ATOM 672 C ILE A 42 -4.320 -9.624 -1.923 1.00 0.00 C ATOM 673 O ILE A 42 -3.209 -9.422 -1.433 1.00 0.00 O ATOM 674 CB ILE A 42 -6.032 -7.875 -1.420 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.641 -6.553 -1.896 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.239 -7.669 -0.138 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.724 -6.019 -0.987 1.00 0.00 C ATOM 0 H ILE A 42 -6.926 -8.815 -3.553 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.458 -7.707 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.844 -8.572 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.850 -5.808 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.054 -6.693 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.888 -7.241 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.852 -8.627 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.408 -6.990 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.107 -5.081 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.535 -6.744 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.312 -5.846 0.007 1.00 0.00 H new ATOM 689 N LYS A 43 -4.881 -10.827 -1.969 1.00 0.00 N ATOM 690 CA LYS A 43 -4.201 -12.008 -1.451 1.00 0.00 C ATOM 691 C LYS A 43 -2.968 -12.338 -2.287 1.00 0.00 C ATOM 692 O LYS A 43 -2.054 -13.016 -1.819 1.00 0.00 O ATOM 693 CB LYS A 43 -5.153 -13.205 -1.419 1.00 0.00 C ATOM 694 CG LYS A 43 -6.275 -13.090 -0.396 1.00 0.00 C ATOM 695 CD LYS A 43 -7.190 -14.304 -0.439 1.00 0.00 C ATOM 696 CE LYS A 43 -8.294 -14.202 0.604 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.211 -15.373 0.559 1.00 0.00 N ATOM 0 H LYS A 43 -5.805 -11.010 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.877 -11.790 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.592 -13.331 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.577 -14.106 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.850 -12.988 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.855 -12.188 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.632 -14.394 -1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.606 -15.208 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.850 -14.127 1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.865 -13.288 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.948 -15.265 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.655 -15.430 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.672 -16.243 0.741 1.00 0.00 H new ATOM 711 N ARG A 44 -2.952 -11.853 -3.524 1.00 0.00 N ATOM 712 CA ARG A 44 -1.837 -12.107 -4.429 1.00 0.00 C ATOM 713 C ARG A 44 -0.873 -10.926 -4.448 1.00 0.00 C ATOM 714 O ARG A 44 0.337 -11.103 -4.594 1.00 0.00 O ATOM 715 CB ARG A 44 -2.305 -12.472 -5.830 1.00 0.00 C ATOM 716 CG ARG A 44 -3.102 -13.764 -5.922 1.00 0.00 C ATOM 717 CD ARG A 44 -3.601 -14.080 -7.285 1.00 0.00 C ATOM 718 NE ARG A 44 -4.419 -15.279 -7.365 1.00 0.00 N ATOM 719 CZ ARG A 44 -4.947 -15.771 -8.503 1.00 0.00 C ATOM 720 NH1 ARG A 44 -4.778 -15.153 -9.650 1.00 0.00 N ATOM 721 NH2 ARG A 44 -5.661 -16.881 -8.431 1.00 0.00 N ATOM 0 H ARG A 44 -3.698 -11.282 -3.923 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.299 -12.974 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.916 -11.657 -6.217 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.433 -12.553 -6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.477 -14.588 -5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.952 -13.702 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.183 -13.234 -7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.747 -14.193 -7.954 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.607 -15.784 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.240 -14.287 -9.688 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.184 -15.539 -10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.800 -17.341 -7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.074 -17.278 -9.275 1.00 0.00 H new ATOM 735 N MET A 45 -1.416 -9.723 -4.303 1.00 0.00 N ATOM 736 CA MET A 45 -0.600 -8.513 -4.293 1.00 0.00 C ATOM 737 C MET A 45 0.192 -8.401 -2.995 1.00 0.00 C ATOM 738 O MET A 45 -0.343 -8.618 -1.909 1.00 0.00 O ATOM 739 CB MET A 45 -1.481 -7.280 -4.484 1.00 0.00 C ATOM 740 CG MET A 45 -0.724 -5.959 -4.485 1.00 0.00 C ATOM 741 SD MET A 45 -0.470 -5.303 -2.824 1.00 0.00 S ATOM 742 CE MET A 45 -2.139 -4.823 -2.390 1.00 0.00 C ATOM 0 H MET A 45 -2.416 -9.559 -4.191 1.00 0.00 H new ATOM 0 HA MET A 45 0.108 -8.572 -5.119 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.020 -7.376 -5.426 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.228 -7.256 -3.691 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.243 -6.099 -4.968 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.274 -5.230 -5.079 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.114 -3.892 -1.823 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.724 -4.679 -3.298 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.596 -5.605 -1.784 1.00 0.00 H new ATOM 752 N GLN A 46 1.472 -8.062 -3.118 1.00 0.00 N ATOM 753 CA GLN A 46 2.323 -7.859 -1.950 1.00 0.00 C ATOM 754 C GLN A 46 2.667 -6.383 -1.780 1.00 0.00 C ATOM 755 O GLN A 46 3.054 -5.710 -2.737 1.00 0.00 O ATOM 756 CB GLN A 46 3.608 -8.682 -2.072 1.00 0.00 C ATOM 757 CG GLN A 46 4.510 -8.610 -0.852 1.00 0.00 C ATOM 758 CD GLN A 46 5.723 -9.514 -0.974 1.00 0.00 C ATOM 759 OE1 GLN A 46 5.951 -10.132 -2.018 1.00 0.00 O ATOM 760 NE2 GLN A 46 6.507 -9.598 0.094 1.00 0.00 N ATOM 0 H GLN A 46 1.942 -7.922 -4.013 1.00 0.00 H new ATOM 0 HA GLN A 46 1.772 -8.192 -1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.343 -9.724 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.165 -8.338 -2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.840 -7.581 -0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.940 -8.889 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.280 -9.069 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.336 -10.191 0.072 1.00 0.00 H new ATOM 769 N LEU A 47 2.529 -5.886 -0.557 1.00 0.00 N ATOM 770 CA LEU A 47 2.712 -4.465 -0.282 1.00 0.00 C ATOM 771 C LEU A 47 3.881 -4.241 0.671 1.00 0.00 C ATOM 772 O LEU A 47 3.876 -4.731 1.801 1.00 0.00 O ATOM 773 CB LEU A 47 1.424 -3.866 0.299 1.00 0.00 C ATOM 774 CG LEU A 47 1.559 -2.442 0.853 1.00 0.00 C ATOM 775 CD1 LEU A 47 2.013 -1.494 -0.249 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.226 -1.994 1.434 1.00 0.00 C ATOM 0 H LEU A 47 2.291 -6.446 0.261 1.00 0.00 H new ATOM 0 HA LEU A 47 2.940 -3.962 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.660 -3.866 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.067 -4.517 1.097 1.00 0.00 H new ATOM 0 HG LEU A 47 2.309 -2.429 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.106 -0.486 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.978 -1.821 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.280 -1.496 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.322 -0.982 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.535 -2.009 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.066 -2.670 2.238 1.00 0.00 H new ATOM 788 N TYR A 48 4.880 -3.497 0.209 1.00 0.00 N ATOM 789 CA TYR A 48 6.027 -3.154 1.041 1.00 0.00 C ATOM 790 C TYR A 48 6.127 -1.646 1.239 1.00 0.00 C ATOM 791 O TYR A 48 5.852 -0.869 0.324 1.00 0.00 O ATOM 792 CB TYR A 48 7.319 -3.692 0.421 1.00 0.00 C ATOM 793 CG TYR A 48 8.576 -3.221 1.118 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.005 -3.818 2.294 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.332 -2.182 0.595 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.152 -3.391 2.936 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.482 -1.747 1.227 1.00 0.00 C ATOM 798 CZ TYR A 48 10.888 -2.355 2.398 1.00 0.00 C ATOM 799 OH TYR A 48 12.033 -1.927 3.031 1.00 0.00 O ATOM 0 H TYR A 48 4.918 -3.120 -0.738 1.00 0.00 H new ATOM 0 HA TYR A 48 5.885 -3.619 2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.292 -4.782 0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.361 -3.391 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.433 -4.631 2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.017 -1.705 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.470 -3.865 3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.059 -0.936 0.807 1.00 0.00 H new ATOM 0 HH TYR A 48 12.001 -2.186 3.976 1.00 0.00 H new ATOM 809 N TYR A 49 6.522 -1.236 2.439 1.00 0.00 N ATOM 810 CA TYR A 49 6.726 0.176 2.737 1.00 0.00 C ATOM 811 C TYR A 49 8.191 0.462 3.048 1.00 0.00 C ATOM 812 O TYR A 49 8.835 -0.278 3.792 1.00 0.00 O ATOM 813 CB TYR A 49 5.843 0.610 3.910 1.00 0.00 C ATOM 814 CG TYR A 49 6.284 1.899 4.566 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.240 3.101 3.876 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.742 1.910 5.875 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.643 4.281 4.469 1.00 0.00 C ATOM 818 CE2 TYR A 49 7.146 3.085 6.479 1.00 0.00 C ATOM 819 CZ TYR A 49 7.095 4.269 5.773 1.00 0.00 C ATOM 820 OH TYR A 49 7.496 5.442 6.370 1.00 0.00 O ATOM 0 H TYR A 49 6.707 -1.863 3.222 1.00 0.00 H new ATOM 0 HA TYR A 49 6.445 0.750 1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.818 0.726 3.557 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.835 -0.183 4.658 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.884 3.114 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.784 0.985 6.431 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.605 5.208 3.916 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.500 3.077 7.499 1.00 0.00 H new ATOM 0 HH TYR A 49 6.818 5.728 7.017 1.00 0.00 H new ATOM 830 N SER A 50 8.713 1.541 2.472 1.00 0.00 N ATOM 831 CA SER A 50 10.070 1.985 2.769 1.00 0.00 C ATOM 832 C SER A 50 10.480 1.573 4.180 1.00 0.00 C ATOM 833 O SER A 50 10.061 2.183 5.163 1.00 0.00 O ATOM 834 CB SER A 50 10.177 3.489 2.603 1.00 0.00 C ATOM 835 OG SER A 50 11.469 3.958 2.874 1.00 0.00 O ATOM 0 H SER A 50 8.217 2.123 1.797 1.00 0.00 H new ATOM 0 HA SER A 50 10.750 1.505 2.065 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.899 3.762 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.467 3.978 3.269 1.00 0.00 H new ATOM 0 HG SER A 50 11.496 4.930 2.754 1.00 0.00 H new ATOM 841 N GLY A 51 11.303 0.534 4.271 1.00 0.00 N ATOM 842 CA GLY A 51 11.757 0.057 5.565 1.00 0.00 C ATOM 843 C GLY A 51 10.964 -1.140 6.053 1.00 0.00 C ATOM 844 O GLY A 51 11.398 -2.283 5.903 1.00 0.00 O ATOM 0 H GLY A 51 11.664 0.013 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.811 -0.212 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.678 0.863 6.294 1.00 0.00 H new ATOM 848 N ILE A 52 9.801 -0.878 6.639 1.00 0.00 N ATOM 849 CA ILE A 52 8.985 -1.936 7.223 1.00 0.00 C ATOM 850 C ILE A 52 7.896 -2.388 6.254 1.00 0.00 C ATOM 851 O ILE A 52 7.172 -1.566 5.693 1.00 0.00 O ATOM 852 CB ILE A 52 8.331 -1.483 8.541 1.00 0.00 C ATOM 853 CG1 ILE A 52 9.405 -1.110 9.568 1.00 0.00 C ATOM 854 CG2 ILE A 52 7.423 -2.574 9.087 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.860 -0.417 10.796 1.00 0.00 C ATOM 0 H ILE A 52 9.402 0.057 6.722 1.00 0.00 H new ATOM 0 HA ILE A 52 9.653 -2.772 7.430 1.00 0.00 H new ATOM 0 HB ILE A 52 7.723 -0.600 8.342 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.930 -2.014 9.876 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.140 -0.461 9.092 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.969 -2.237 10.019 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.640 -2.793 8.361 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.008 -3.475 9.273 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.679 -0.185 11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.360 0.506 10.501 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.147 -1.072 11.297 1.00 0.00 H new ATOM 867 N GLU A 53 7.788 -3.699 6.065 1.00 0.00 N ATOM 868 CA GLU A 53 6.769 -4.262 5.186 1.00 0.00 C ATOM 869 C GLU A 53 5.391 -4.195 5.838 1.00 0.00 C ATOM 870 O GLU A 53 5.232 -4.519 7.015 1.00 0.00 O ATOM 871 CB GLU A 53 7.112 -5.709 4.823 1.00 0.00 C ATOM 872 CG GLU A 53 6.185 -6.335 3.791 1.00 0.00 C ATOM 873 CD GLU A 53 6.627 -7.726 3.432 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.565 -8.203 4.026 1.00 0.00 O ATOM 875 OE2 GLU A 53 5.961 -8.356 2.646 1.00 0.00 O ATOM 0 H GLU A 53 8.393 -4.391 6.508 1.00 0.00 H new ATOM 0 HA GLU A 53 6.746 -3.668 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.133 -5.743 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.088 -6.314 5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.168 -6.364 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.164 -5.715 2.895 1.00 0.00 H new ATOM 882 N LEU A 54 4.399 -3.771 5.064 1.00 0.00 N ATOM 883 CA LEU A 54 3.048 -3.584 5.586 1.00 0.00 C ATOM 884 C LEU A 54 2.265 -4.893 5.554 1.00 0.00 C ATOM 885 O LEU A 54 1.278 -5.018 4.829 1.00 0.00 O ATOM 886 CB LEU A 54 2.315 -2.501 4.787 1.00 0.00 C ATOM 887 CG LEU A 54 3.033 -1.147 4.708 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.198 -0.158 3.907 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.288 -0.625 6.114 1.00 0.00 C ATOM 0 H LEU A 54 4.503 -3.550 4.074 1.00 0.00 H new ATOM 0 HA LEU A 54 3.125 -3.262 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.153 -2.867 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.332 -2.347 5.232 1.00 0.00 H new ATOM 0 HG LEU A 54 3.990 -1.272 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.717 0.799 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.048 -0.542 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.231 -0.022 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.798 0.337 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.338 -0.502 6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.911 -1.335 6.658 1.00 0.00 H new ATOM 901 N ALA A 55 2.710 -5.863 6.345 1.00 0.00 N ATOM 902 CA ALA A 55 2.200 -7.223 6.245 1.00 0.00 C ATOM 903 C ALA A 55 0.962 -7.413 7.114 1.00 0.00 C ATOM 904 O ALA A 55 0.181 -8.342 6.907 1.00 0.00 O ATOM 905 CB ALA A 55 3.281 -8.222 6.638 1.00 0.00 C ATOM 0 H ALA A 55 3.423 -5.731 7.062 1.00 0.00 H new ATOM 0 HA ALA A 55 1.914 -7.401 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.886 -9.235 6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.137 -8.113 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.594 -8.034 7.665 1.00 0.00 H new ATOM 911 N ASP A 56 0.790 -6.527 8.090 1.00 0.00 N ATOM 912 CA ASP A 56 -0.328 -6.623 9.020 1.00 0.00 C ATOM 913 C ASP A 56 -1.526 -5.823 8.517 1.00 0.00 C ATOM 914 O ASP A 56 -1.504 -4.593 8.511 1.00 0.00 O ATOM 915 CB ASP A 56 0.087 -6.136 10.411 1.00 0.00 C ATOM 916 CG ASP A 56 -0.978 -6.320 11.485 1.00 0.00 C ATOM 917 OD1 ASP A 56 -2.098 -6.610 11.140 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.630 -6.323 12.642 1.00 0.00 O ATOM 0 H ASP A 56 1.411 -5.735 8.257 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.620 -7.671 9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.988 -6.668 10.715 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.346 -5.079 10.350 1.00 0.00 H new ATOM 923 N ASP A 57 -2.566 -6.531 8.092 1.00 0.00 N ATOM 924 CA ASP A 57 -3.688 -5.903 7.401 1.00 0.00 C ATOM 925 C ASP A 57 -4.430 -4.948 8.330 1.00 0.00 C ATOM 926 O ASP A 57 -4.883 -3.884 7.908 1.00 0.00 O ATOM 927 CB ASP A 57 -4.648 -6.964 6.857 1.00 0.00 C ATOM 928 CG ASP A 57 -4.105 -7.757 5.676 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.097 -7.366 5.136 1.00 0.00 O ATOM 930 OD2 ASP A 57 -4.608 -8.825 5.421 1.00 0.00 O ATOM 0 H ASP A 57 -2.657 -7.540 8.213 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.290 -5.330 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.897 -7.657 7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.576 -6.477 6.556 1.00 0.00 H new ATOM 935 N TYR A 58 -4.552 -5.335 9.595 1.00 0.00 N ATOM 936 CA TYR A 58 -5.438 -4.644 10.524 1.00 0.00 C ATOM 937 C TYR A 58 -4.671 -3.603 11.335 1.00 0.00 C ATOM 938 O TYR A 58 -5.260 -2.841 12.101 1.00 0.00 O ATOM 939 CB TYR A 58 -6.119 -5.644 11.461 1.00 0.00 C ATOM 940 CG TYR A 58 -7.050 -6.608 10.757 1.00 0.00 C ATOM 941 CD1 TYR A 58 -8.341 -6.231 10.422 1.00 0.00 C ATOM 942 CD2 TYR A 58 -6.633 -7.890 10.432 1.00 0.00 C ATOM 943 CE1 TYR A 58 -9.195 -7.107 9.780 1.00 0.00 C ATOM 944 CE2 TYR A 58 -7.478 -8.774 9.788 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.760 -8.378 9.464 1.00 0.00 C ATOM 946 OH TYR A 58 -9.606 -9.253 8.824 1.00 0.00 O ATOM 0 H TYR A 58 -4.048 -6.124 10.001 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.203 -4.131 9.941 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.353 -6.213 11.988 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.683 -5.095 12.215 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.685 -5.237 10.667 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.631 -8.203 10.686 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.198 -6.798 9.527 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.137 -9.768 9.540 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.144 -10.104 8.674 1.00 0.00 H new ATOM 956 N ARG A 59 -3.354 -3.579 11.159 1.00 0.00 N ATOM 957 CA ARG A 59 -2.522 -2.545 11.764 1.00 0.00 C ATOM 958 C ARG A 59 -2.682 -1.220 11.028 1.00 0.00 C ATOM 959 O ARG A 59 -2.766 -1.184 9.801 1.00 0.00 O ATOM 960 CB ARG A 59 -1.061 -2.964 11.854 1.00 0.00 C ATOM 961 CG ARG A 59 -0.146 -1.947 12.519 1.00 0.00 C ATOM 962 CD ARG A 59 1.232 -2.440 12.776 1.00 0.00 C ATOM 963 NE ARG A 59 2.153 -1.427 13.262 1.00 0.00 N ATOM 964 CZ ARG A 59 3.438 -1.657 13.598 1.00 0.00 C ATOM 965 NH1 ARG A 59 3.946 -2.868 13.537 1.00 0.00 N ATOM 966 NH2 ARG A 59 4.168 -0.637 14.012 1.00 0.00 N ATOM 0 H ARG A 59 -2.840 -4.263 10.603 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.869 -2.405 12.788 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.000 -3.902 12.406 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.691 -3.161 10.848 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.090 -1.059 11.889 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.591 -1.639 13.465 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.185 -3.250 13.504 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.631 -2.863 11.854 1.00 0.00 H new ATOM 0 HE ARG A 59 1.802 -0.474 13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.366 -3.650 13.232 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.920 -3.026 13.795 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.756 0.294 14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.143 -0.781 14.273 1.00 0.00 H new ATOM 980 N ASN A 60 -2.724 -0.129 11.787 1.00 0.00 N ATOM 981 CA ASN A 60 -3.028 1.182 11.227 1.00 0.00 C ATOM 982 C ASN A 60 -1.834 1.733 10.452 1.00 0.00 C ATOM 983 O ASN A 60 -0.683 1.439 10.773 1.00 0.00 O ATOM 984 CB ASN A 60 -3.457 2.163 12.303 1.00 0.00 C ATOM 985 CG ASN A 60 -4.813 1.871 12.883 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.657 1.229 12.247 1.00 0.00 O ATOM 987 ND2 ASN A 60 -5.054 2.407 14.052 1.00 0.00 N ATOM 0 H ASN A 60 -2.551 -0.128 12.792 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.862 1.055 10.537 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.719 2.154 13.105 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.460 3.169 11.884 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.974 2.304 14.480 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.322 2.927 14.535 1.00 0.00 H new ATOM 994 N LEU A 61 -2.118 2.536 9.431 1.00 0.00 N ATOM 995 CA LEU A 61 -1.068 3.178 8.650 1.00 0.00 C ATOM 996 C LEU A 61 -0.223 4.100 9.526 1.00 0.00 C ATOM 997 O LEU A 61 1.000 4.137 9.403 1.00 0.00 O ATOM 998 CB LEU A 61 -1.680 3.964 7.483 1.00 0.00 C ATOM 999 CG LEU A 61 -2.389 3.109 6.423 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.074 4.008 5.403 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.378 2.196 5.746 1.00 0.00 C ATOM 0 H LEU A 61 -3.066 2.757 9.126 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.417 2.401 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.394 4.683 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.890 4.536 6.997 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.151 2.493 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.575 3.394 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.808 4.636 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.330 4.639 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.882 1.589 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.606 2.799 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.920 1.544 6.490 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.885 4.836 10.412 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.190 5.685 11.372 1.00 0.00 C ATOM 1015 C ASN A 62 0.709 4.852 12.282 1.00 0.00 C ATOM 1016 O ASN A 62 1.809 5.273 12.637 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.164 6.504 12.198 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.513 7.613 12.978 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.016 8.573 12.406 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.479 7.446 14.275 1.00 0.00 N ATOM 0 H ASN A 62 -1.902 4.862 10.485 1.00 0.00 H new ATOM 0 HA ASN A 62 0.433 6.377 10.805 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.918 6.931 11.537 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.685 5.843 12.890 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.001 8.126 14.864 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.932 6.635 14.697 1.00 0.00 H new ATOM 1027 N GLU A 63 0.230 3.670 12.656 1.00 0.00 N ATOM 1028 CA GLU A 63 0.981 2.788 13.541 1.00 0.00 C ATOM 1029 C GLU A 63 2.234 2.260 12.850 1.00 0.00 C ATOM 1030 O GLU A 63 3.246 1.987 13.495 1.00 0.00 O ATOM 1031 CB GLU A 63 0.105 1.624 14.009 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.931 1.998 15.059 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.909 0.878 15.286 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.892 -0.061 14.528 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.595 0.908 16.279 1.00 0.00 O ATOM 0 H GLU A 63 -0.674 3.301 12.360 1.00 0.00 H new ATOM 0 HA GLU A 63 1.288 3.367 14.412 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.408 1.201 13.145 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.747 0.842 14.413 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.430 2.242 15.996 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.467 2.893 14.742 1.00 0.00 H new ATOM 1042 N TYR A 64 2.159 2.118 11.530 1.00 0.00 N ATOM 1043 CA TYR A 64 3.286 1.620 10.749 1.00 0.00 C ATOM 1044 C TYR A 64 4.305 2.727 10.498 1.00 0.00 C ATOM 1045 O TYR A 64 5.466 2.459 10.193 1.00 0.00 O ATOM 1046 CB TYR A 64 2.803 1.037 9.420 1.00 0.00 C ATOM 1047 CG TYR A 64 2.737 -0.474 9.401 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.888 -1.237 9.528 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.525 -1.134 9.254 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.835 -2.618 9.511 1.00 0.00 C ATOM 1051 CE2 TYR A 64 1.459 -2.513 9.237 1.00 0.00 C ATOM 1052 CZ TYR A 64 2.618 -3.252 9.365 1.00 0.00 C ATOM 1053 OH TYR A 64 2.560 -4.627 9.347 1.00 0.00 O ATOM 0 H TYR A 64 1.330 2.341 10.979 1.00 0.00 H new ATOM 0 HA TYR A 64 3.770 0.830 11.323 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.814 1.437 9.197 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.469 1.372 8.624 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.842 -0.744 9.642 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.617 -0.558 9.151 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.741 -3.198 9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.507 -3.010 9.124 1.00 0.00 H new ATOM 0 HH TYR A 64 2.602 -4.968 10.265 1.00 0.00 H new ATOM 1063 N GLY A 65 3.861 3.973 10.628 1.00 0.00 N ATOM 1064 CA GLY A 65 4.722 5.104 10.332 1.00 0.00 C ATOM 1065 C GLY A 65 4.512 5.639 8.930 1.00 0.00 C ATOM 1066 O GLY A 65 5.430 6.194 8.326 1.00 0.00 O ATOM 0 H GLY A 65 2.920 4.220 10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.533 5.899 11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.763 4.805 10.452 1.00 0.00 H new ATOM 1070 N ILE A 66 3.301 5.472 8.409 1.00 0.00 N ATOM 1071 CA ILE A 66 2.972 5.949 7.071 1.00 0.00 C ATOM 1072 C ILE A 66 2.679 7.445 7.077 1.00 0.00 C ATOM 1073 O ILE A 66 1.670 7.890 7.622 1.00 0.00 O ATOM 1074 CB ILE A 66 1.760 5.199 6.485 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.030 3.692 6.454 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.438 5.715 5.091 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.211 3.300 5.596 1.00 0.00 C ATOM 0 H ILE A 66 2.531 5.010 8.893 1.00 0.00 H new ATOM 0 HA ILE A 66 3.843 5.755 6.445 1.00 0.00 H new ATOM 0 HB ILE A 66 0.896 5.381 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.201 3.342 7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.140 3.181 6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.580 5.174 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.205 6.779 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.298 5.562 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.338 2.218 5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.035 3.618 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.112 3.782 5.976 1.00 0.00 H new ATOM 1089 N THR A 67 3.570 8.218 6.463 1.00 0.00 N ATOM 1090 CA THR A 67 3.505 9.672 6.546 1.00 0.00 C ATOM 1091 C THR A 67 2.903 10.268 5.279 1.00 0.00 C ATOM 1092 O THR A 67 2.528 9.543 4.359 1.00 0.00 O ATOM 1093 CB THR A 67 4.897 10.286 6.781 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.721 10.065 5.629 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.558 9.661 8.000 1.00 0.00 C ATOM 0 H THR A 67 4.345 7.861 5.903 1.00 0.00 H new ATOM 0 HA THR A 67 2.865 9.912 7.395 1.00 0.00 H new ATOM 0 HB THR A 67 4.780 11.356 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.606 10.458 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.541 10.108 8.150 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.940 9.839 8.880 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.667 8.588 7.844 1.00 0.00 H new ATOM 1103 N GLU A 68 2.816 11.595 5.238 1.00 0.00 N ATOM 1104 CA GLU A 68 2.246 12.285 4.087 1.00 0.00 C ATOM 1105 C GLU A 68 2.994 11.921 2.807 1.00 0.00 C ATOM 1106 O GLU A 68 2.415 11.905 1.721 1.00 0.00 O ATOM 1107 CB GLU A 68 2.275 13.801 4.303 1.00 0.00 C ATOM 1108 CG GLU A 68 1.682 14.609 3.158 1.00 0.00 C ATOM 1109 CD GLU A 68 1.697 16.081 3.465 1.00 0.00 C ATOM 1110 OE1 GLU A 68 2.150 16.443 4.524 1.00 0.00 O ATOM 1111 OE2 GLU A 68 1.361 16.852 2.597 1.00 0.00 O ATOM 0 H GLU A 68 3.132 12.211 5.987 1.00 0.00 H new ATOM 0 HA GLU A 68 1.210 11.965 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.731 14.036 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.308 14.114 4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.247 14.420 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.658 14.284 2.972 1.00 0.00 H new ATOM 1118 N PHE A 69 4.283 11.628 2.945 1.00 0.00 N ATOM 1119 CA PHE A 69 5.143 11.405 1.790 1.00 0.00 C ATOM 1120 C PHE A 69 5.545 9.937 1.685 1.00 0.00 C ATOM 1121 O PHE A 69 6.569 9.603 1.089 1.00 0.00 O ATOM 1122 CB PHE A 69 6.390 12.289 1.870 1.00 0.00 C ATOM 1123 CG PHE A 69 6.086 13.759 1.935 1.00 0.00 C ATOM 1124 CD1 PHE A 69 5.756 14.465 0.788 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.130 14.438 3.144 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.477 15.817 0.846 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.852 15.791 3.204 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.525 16.480 2.056 1.00 0.00 C ATOM 0 H PHE A 69 4.754 11.540 3.845 1.00 0.00 H new ATOM 0 HA PHE A 69 4.580 11.672 0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.968 12.007 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.018 12.095 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.717 13.952 -0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.384 13.904 4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.221 16.355 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.891 16.308 4.151 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.307 17.537 2.103 1.00 0.00 H new ATOM 1138 N SER A 70 4.730 9.064 2.270 1.00 0.00 N ATOM 1139 CA SER A 70 5.051 7.643 2.334 1.00 0.00 C ATOM 1140 C SER A 70 5.352 7.091 0.943 1.00 0.00 C ATOM 1141 O SER A 70 4.605 7.328 -0.004 1.00 0.00 O ATOM 1142 CB SER A 70 3.909 6.878 2.975 1.00 0.00 C ATOM 1143 OG SER A 70 4.134 5.495 2.968 1.00 0.00 O ATOM 0 H SER A 70 3.843 9.316 2.706 1.00 0.00 H new ATOM 0 HA SER A 70 5.944 7.518 2.947 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.776 7.218 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.983 7.097 2.444 1.00 0.00 H new ATOM 0 HG SER A 70 4.861 5.279 3.589 1.00 0.00 H new ATOM 1149 N GLU A 71 6.452 6.353 0.832 1.00 0.00 N ATOM 1150 CA GLU A 71 6.776 5.649 -0.403 1.00 0.00 C ATOM 1151 C GLU A 71 6.661 4.140 -0.216 1.00 0.00 C ATOM 1152 O GLU A 71 7.381 3.546 0.588 1.00 0.00 O ATOM 1153 CB GLU A 71 8.184 6.018 -0.876 1.00 0.00 C ATOM 1154 CG GLU A 71 8.351 7.476 -1.282 1.00 0.00 C ATOM 1155 CD GLU A 71 9.774 7.779 -1.658 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.632 7.640 -0.819 1.00 0.00 O ATOM 1157 OE2 GLU A 71 10.020 8.041 -2.812 1.00 0.00 O ATOM 0 H GLU A 71 7.133 6.227 1.581 1.00 0.00 H new ATOM 0 HA GLU A 71 6.059 5.955 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.892 5.792 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.446 5.385 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.695 7.699 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.045 8.122 -0.459 1.00 0.00 H new ATOM 1164 N ILE A 72 5.752 3.523 -0.963 1.00 0.00 N ATOM 1165 CA ILE A 72 5.513 2.090 -0.849 1.00 0.00 C ATOM 1166 C ILE A 72 5.745 1.389 -2.182 1.00 0.00 C ATOM 1167 O ILE A 72 5.419 1.921 -3.243 1.00 0.00 O ATOM 1168 CB ILE A 72 4.083 1.792 -0.363 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.056 2.419 -1.308 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.887 2.302 1.056 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.624 2.061 -0.980 1.00 0.00 C ATOM 0 H ILE A 72 5.168 3.994 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 72 6.221 1.709 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 72 3.935 0.712 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.165 3.503 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.275 2.103 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.871 2.083 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.597 1.810 1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.053 3.379 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.956 2.543 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.497 0.980 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.385 2.402 0.028 1.00 0.00 H new ATOM 1183 N VAL A 73 6.310 0.186 -2.121 1.00 0.00 N ATOM 1184 CA VAL A 73 6.569 -0.598 -3.322 1.00 0.00 C ATOM 1185 C VAL A 73 5.661 -1.822 -3.387 1.00 0.00 C ATOM 1186 O VAL A 73 5.555 -2.581 -2.424 1.00 0.00 O ATOM 1187 CB VAL A 73 8.038 -1.057 -3.393 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.276 -1.891 -4.642 1.00 0.00 C ATOM 1189 CG2 VAL A 73 8.972 0.144 -3.369 1.00 0.00 C ATOM 0 H VAL A 73 6.597 -0.266 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 73 6.360 0.052 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 73 8.248 -1.676 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.319 -2.206 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.632 -2.770 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.049 -1.295 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.006 -0.198 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.760 0.787 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.820 0.705 -2.447 1.00 0.00 H new ATOM 1199 N VAL A 74 5.007 -2.006 -4.529 1.00 0.00 N ATOM 1200 CA VAL A 74 3.965 -3.019 -4.659 1.00 0.00 C ATOM 1201 C VAL A 74 4.319 -4.038 -5.736 1.00 0.00 C ATOM 1202 O VAL A 74 4.673 -3.673 -6.858 1.00 0.00 O ATOM 1203 CB VAL A 74 2.600 -2.387 -4.992 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.538 -3.465 -5.150 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.194 -1.396 -3.912 1.00 0.00 C ATOM 0 H VAL A 74 5.180 -1.467 -5.378 1.00 0.00 H new ATOM 0 HA VAL A 74 3.895 -3.523 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 74 2.691 -1.850 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.580 -3.001 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.822 -4.140 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.450 -4.028 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.228 -0.959 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.121 -1.911 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.942 -0.606 -3.843 1.00 0.00 H new ATOM 1215 N PHE A 75 4.222 -5.316 -5.389 1.00 0.00 N ATOM 1216 CA PHE A 75 4.508 -6.389 -6.333 1.00 0.00 C ATOM 1217 C PHE A 75 3.251 -7.200 -6.634 1.00 0.00 C ATOM 1218 O PHE A 75 2.456 -7.490 -5.738 1.00 0.00 O ATOM 1219 CB PHE A 75 5.608 -7.303 -5.789 1.00 0.00 C ATOM 1220 CG PHE A 75 6.923 -6.608 -5.577 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.820 -6.457 -6.622 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.264 -6.104 -4.331 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.030 -5.819 -6.428 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.473 -5.464 -4.135 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.356 -5.321 -5.183 1.00 0.00 C ATOM 0 H PHE A 75 3.947 -5.634 -4.460 1.00 0.00 H new ATOM 0 HA PHE A 75 4.855 -5.936 -7.262 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.277 -7.731 -4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.753 -8.133 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.571 -6.842 -7.600 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.577 -6.213 -3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.721 -5.710 -7.251 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.726 -5.076 -3.160 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.301 -4.820 -5.030 1.00 0.00 H new