USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 513 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 NoAdj-H: A 75 ALA H : A 75 ALA N : A 73 TYR O :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot 150:sc= 0 USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc=-0.00151 (180deg=-0.00151) USER MOD Single : A 5 MET CE :methyl -109:sc= -2.66 (180deg=-7.45!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.651 USER MOD Single : A 9 SER OG : rot 48:sc= 0.839 USER MOD Single : A 13 ASN : amide:sc= -3.06! C(o=-3.1!,f=-6.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 28 GLN : amide:sc= -10.9! C(o=-11!,f=-14!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.32! C(o=-3.3!,f=-8.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 101:sc= 0.203 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -93:sc= -2! USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 64 SER OG : rot 45:sc= 0.382 USER MOD Single : A 72 MET CE :methyl 150:sc= -0.637 (180deg=-1.96!) USER MOD Single : A 73 TYR OH : rot 37:sc= -1.7 USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= -0.0125 (180deg=-0.284) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.416 19.538 -5.109 1.00 0.00 N ATOM 2 CA MET A 1 6.836 19.741 -5.341 1.00 0.00 C ATOM 3 C MET A 1 7.498 18.458 -5.845 1.00 0.00 C ATOM 4 O MET A 1 7.100 17.358 -5.464 1.00 0.00 O ATOM 5 CB MET A 1 7.508 20.184 -4.040 1.00 0.00 C ATOM 6 CG MET A 1 8.594 21.227 -4.310 1.00 0.00 C ATOM 7 SD MET A 1 7.851 22.832 -4.555 1.00 0.00 S ATOM 8 CE MET A 1 8.643 23.743 -3.240 1.00 0.00 C ATOM 0 H1 MET A 1 4.990 20.423 -4.768 1.00 0.00 H new ATOM 0 H2 MET A 1 4.956 19.253 -5.997 1.00 0.00 H new ATOM 0 H3 MET A 1 5.284 18.793 -4.396 1.00 0.00 H new ATOM 0 HA MET A 1 6.954 20.512 -6.102 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.761 20.599 -3.364 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.945 19.320 -3.540 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.291 21.264 -3.473 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.170 20.945 -5.192 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.290 24.774 -3.248 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.400 23.284 -2.282 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.723 23.728 -3.386 1.00 0.00 H new ATOM 16 N PHE A 2 8.498 18.640 -6.696 1.00 0.00 N ATOM 17 CA PHE A 2 9.219 17.509 -7.257 1.00 0.00 C ATOM 18 C PHE A 2 8.277 16.592 -8.037 1.00 0.00 C ATOM 19 O PHE A 2 7.100 16.473 -7.702 1.00 0.00 O ATOM 20 CB PHE A 2 9.813 16.730 -6.082 1.00 0.00 C ATOM 21 CG PHE A 2 10.240 17.609 -4.904 1.00 0.00 C ATOM 22 CD1 PHE A 2 11.287 18.467 -5.040 1.00 0.00 C ATOM 23 CD2 PHE A 2 9.571 17.534 -3.722 1.00 0.00 C ATOM 24 CE1 PHE A 2 11.683 19.283 -3.947 1.00 0.00 C ATOM 25 CE2 PHE A 2 9.967 18.350 -2.629 1.00 0.00 C ATOM 26 CZ PHE A 2 11.014 19.207 -2.764 1.00 0.00 C ATOM 0 H PHE A 2 8.826 19.553 -7.011 1.00 0.00 H new ATOM 0 HA PHE A 2 9.990 17.862 -7.942 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.079 16.004 -5.733 1.00 0.00 H new ATOM 0 HB3 PHE A 2 10.677 16.166 -6.433 1.00 0.00 H new ATOM 0 HD1 PHE A 2 11.817 18.528 -5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 2 8.739 16.854 -3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 2 12.515 19.964 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 2 9.436 18.290 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 2 11.315 19.827 -1.933 1.00 0.00 H new ATOM 35 N PRO A 3 8.846 15.949 -9.093 1.00 0.00 N ATOM 36 CA PRO A 3 8.070 15.045 -9.925 1.00 0.00 C ATOM 37 C PRO A 3 7.820 13.717 -9.206 1.00 0.00 C ATOM 38 O PRO A 3 6.819 13.564 -8.507 1.00 0.00 O ATOM 39 CB PRO A 3 8.884 14.886 -11.198 1.00 0.00 C ATOM 40 CG PRO A 3 10.295 15.330 -10.850 1.00 0.00 C ATOM 41 CD PRO A 3 10.236 16.065 -9.520 1.00 0.00 C ATOM 0 HA PRO A 3 7.075 15.429 -10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.874 13.851 -11.541 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.471 15.493 -12.004 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.960 14.469 -10.782 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.694 15.980 -11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.913 15.619 -8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.530 17.109 -9.631 1.00 0.00 H new ATOM 46 N ALA A 4 8.746 12.790 -9.403 1.00 0.00 N ATOM 47 CA ALA A 4 8.638 11.481 -8.783 1.00 0.00 C ATOM 48 C ALA A 4 7.672 11.560 -7.599 1.00 0.00 C ATOM 49 O ALA A 4 6.589 10.977 -7.637 1.00 0.00 O ATOM 50 CB ALA A 4 10.029 10.996 -8.368 1.00 0.00 C ATOM 0 H ALA A 4 9.575 12.920 -9.983 1.00 0.00 H new ATOM 0 HA ALA A 4 8.236 10.754 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.948 10.014 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.669 10.929 -9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.463 11.699 -7.657 1.00 0.00 H new ATOM 56 N MET A 5 8.099 12.285 -6.575 1.00 0.00 N ATOM 57 CA MET A 5 7.284 12.449 -5.383 1.00 0.00 C ATOM 58 C MET A 5 6.564 13.797 -5.391 1.00 0.00 C ATOM 59 O MET A 5 7.190 14.841 -5.214 1.00 0.00 O ATOM 60 CB MET A 5 8.173 12.352 -4.141 1.00 0.00 C ATOM 61 CG MET A 5 9.279 11.313 -4.338 1.00 0.00 C ATOM 62 SD MET A 5 8.574 9.674 -4.394 1.00 0.00 S ATOM 63 CE MET A 5 9.551 8.960 -5.706 1.00 0.00 C ATOM 0 H MET A 5 8.998 12.765 -6.546 1.00 0.00 H new ATOM 0 HA MET A 5 6.533 11.659 -5.367 1.00 0.00 H new ATOM 0 HB2 MET A 5 8.617 13.325 -3.930 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.567 12.084 -3.276 1.00 0.00 H new ATOM 0 HG2 MET A 5 9.820 11.517 -5.262 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.001 11.380 -3.524 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.930 8.830 -6.592 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.384 9.622 -5.941 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.936 7.991 -5.387 1.00 0.00 H new ATOM 71 N PRO A 6 5.222 13.731 -5.605 1.00 0.00 N ATOM 72 CA PRO A 6 4.408 14.934 -5.639 1.00 0.00 C ATOM 73 C PRO A 6 4.192 15.489 -4.230 1.00 0.00 C ATOM 74 O PRO A 6 4.835 15.048 -3.279 1.00 0.00 O ATOM 75 CB PRO A 6 3.115 14.516 -6.318 1.00 0.00 C ATOM 76 CG PRO A 6 3.064 13.000 -6.220 1.00 0.00 C ATOM 77 CD PRO A 6 4.446 12.513 -5.819 1.00 0.00 C ATOM 0 HA PRO A 6 4.883 15.748 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.253 14.968 -5.828 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.097 14.841 -7.358 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.322 12.690 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.768 12.565 -7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.405 11.906 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.889 11.893 -6.599 1.00 0.00 H new ATOM 82 N LEU A 7 3.283 16.449 -4.139 1.00 0.00 N ATOM 83 CA LEU A 7 2.973 17.070 -2.863 1.00 0.00 C ATOM 84 C LEU A 7 1.955 16.205 -2.115 1.00 0.00 C ATOM 85 O LEU A 7 0.827 16.032 -2.571 1.00 0.00 O ATOM 86 CB LEU A 7 2.519 18.516 -3.066 1.00 0.00 C ATOM 87 CG LEU A 7 2.702 19.451 -1.867 1.00 0.00 C ATOM 88 CD1 LEU A 7 1.555 19.291 -0.867 1.00 0.00 C ATOM 89 CD2 LEU A 7 4.069 19.241 -1.212 1.00 0.00 C ATOM 0 H LEU A 7 2.751 16.812 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 7 3.865 17.126 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.065 18.932 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.464 18.510 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 7 2.673 20.479 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.709 19.966 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.610 19.530 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.527 18.263 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.174 19.917 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.153 18.210 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.856 19.446 -1.938 1.00 0.00 H new ATOM 100 N SER A 8 2.392 15.685 -0.976 1.00 0.00 N ATOM 101 CA SER A 8 1.534 14.843 -0.161 1.00 0.00 C ATOM 102 C SER A 8 2.099 14.737 1.257 1.00 0.00 C ATOM 103 O SER A 8 2.335 13.638 1.755 1.00 0.00 O ATOM 104 CB SER A 8 1.382 13.451 -0.777 1.00 0.00 C ATOM 105 OG SER A 8 1.796 13.422 -2.140 1.00 0.00 O ATOM 0 H SER A 8 3.329 15.831 -0.599 1.00 0.00 H new ATOM 0 HA SER A 8 0.546 15.302 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.971 12.735 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.341 13.136 -0.708 1.00 0.00 H new ATOM 0 HG SER A 8 1.685 12.516 -2.496 1.00 0.00 H new ATOM 110 N SER A 9 2.301 15.897 1.867 1.00 0.00 N ATOM 111 CA SER A 9 2.835 15.948 3.217 1.00 0.00 C ATOM 112 C SER A 9 2.137 17.054 4.014 1.00 0.00 C ATOM 113 O SER A 9 2.607 18.190 4.046 1.00 0.00 O ATOM 114 CB SER A 9 4.348 16.178 3.204 1.00 0.00 C ATOM 115 OG SER A 9 4.694 17.409 2.579 1.00 0.00 O ATOM 0 H SER A 9 2.104 16.807 1.451 1.00 0.00 H new ATOM 0 HA SER A 9 2.645 14.987 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.725 16.172 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.835 15.356 2.680 1.00 0.00 H new ATOM 0 HG SER A 9 4.131 18.127 2.936 1.00 0.00 H new ATOM 120 N LEU A 10 1.029 16.681 4.636 1.00 0.00 N ATOM 121 CA LEU A 10 0.262 17.627 5.429 1.00 0.00 C ATOM 122 C LEU A 10 -0.805 18.279 4.547 1.00 0.00 C ATOM 123 O LEU A 10 -1.199 19.420 4.785 1.00 0.00 O ATOM 124 CB LEU A 10 1.192 18.631 6.113 1.00 0.00 C ATOM 125 CG LEU A 10 2.472 18.052 6.721 1.00 0.00 C ATOM 126 CD1 LEU A 10 3.697 18.861 6.290 1.00 0.00 C ATOM 127 CD2 LEU A 10 2.359 17.950 8.243 1.00 0.00 C ATOM 0 H LEU A 10 0.644 15.737 4.607 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.261 17.112 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.471 19.392 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.634 19.134 6.902 1.00 0.00 H new ATOM 0 HG LEU A 10 2.604 17.039 6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.593 18.429 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.784 18.838 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.587 19.893 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.282 17.536 8.649 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.191 18.942 8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.524 17.300 8.503 1.00 0.00 H new ATOM 138 N PHE A 11 -1.242 17.527 3.548 1.00 0.00 N ATOM 139 CA PHE A 11 -2.256 18.017 2.630 1.00 0.00 C ATOM 140 C PHE A 11 -2.635 16.944 1.608 1.00 0.00 C ATOM 141 O PHE A 11 -2.981 17.260 0.470 1.00 0.00 O ATOM 142 CB PHE A 11 -1.650 19.215 1.893 1.00 0.00 C ATOM 143 CG PHE A 11 -2.673 20.280 1.492 1.00 0.00 C ATOM 144 CD1 PHE A 11 -3.367 20.151 0.331 1.00 0.00 C ATOM 145 CD2 PHE A 11 -2.886 21.355 2.297 1.00 0.00 C ATOM 146 CE1 PHE A 11 -4.316 21.140 -0.043 1.00 0.00 C ATOM 147 CE2 PHE A 11 -3.835 22.343 1.924 1.00 0.00 C ATOM 148 CZ PHE A 11 -4.530 22.215 0.762 1.00 0.00 C ATOM 0 H PHE A 11 -0.912 16.581 3.354 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.156 18.290 3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.892 19.674 2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.142 18.858 0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.197 19.297 -0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.334 21.457 3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.867 21.038 -0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.005 23.197 2.563 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.252 22.967 0.479 1.00 0.00 H new ATOM 157 N VAL A 12 -2.558 15.697 2.049 1.00 0.00 N ATOM 158 CA VAL A 12 -2.889 14.576 1.188 1.00 0.00 C ATOM 159 C VAL A 12 -4.333 14.718 0.705 1.00 0.00 C ATOM 160 O VAL A 12 -4.591 14.746 -0.497 1.00 0.00 O ATOM 161 CB VAL A 12 -2.630 13.258 1.920 1.00 0.00 C ATOM 162 CG1 VAL A 12 -3.612 13.073 3.078 1.00 0.00 C ATOM 163 CG2 VAL A 12 -2.690 12.073 0.955 1.00 0.00 C ATOM 0 H VAL A 12 -2.271 15.439 2.993 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.250 14.572 0.305 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.624 13.298 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.407 12.129 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.499 13.894 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.632 13.064 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.502 11.149 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.677 12.028 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.933 12.196 0.180 1.00 0.00 H new ATOM 173 N ASN A 13 -5.240 14.804 1.669 1.00 0.00 N ATOM 174 CA ASN A 13 -6.652 14.942 1.357 1.00 0.00 C ATOM 175 C ASN A 13 -7.085 16.389 1.603 1.00 0.00 C ATOM 176 O ASN A 13 -8.244 16.649 1.922 1.00 0.00 O ATOM 177 CB ASN A 13 -7.504 14.037 2.249 1.00 0.00 C ATOM 178 CG ASN A 13 -7.303 12.563 1.885 1.00 0.00 C ATOM 179 OD1 ASN A 13 -6.310 12.174 1.293 1.00 0.00 O ATOM 180 ND2 ASN A 13 -8.299 11.771 2.271 1.00 0.00 N ATOM 0 H ASN A 13 -5.024 14.781 2.665 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.796 14.660 0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.239 14.197 3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.556 14.302 2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.261 10.771 2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.101 12.164 2.763 1.00 0.00 H new ATOM 186 N GLY A 14 -6.129 17.294 1.444 1.00 0.00 N ATOM 187 CA GLY A 14 -6.397 18.708 1.645 1.00 0.00 C ATOM 188 C GLY A 14 -5.774 19.204 2.951 1.00 0.00 C ATOM 189 O GLY A 14 -4.621 19.632 2.970 1.00 0.00 O ATOM 0 H GLY A 14 -5.169 17.075 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.998 19.280 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.473 18.879 1.664 1.00 0.00 H new ATOM 193 N PRO A 15 -6.585 19.129 4.040 1.00 0.00 N ATOM 194 CA PRO A 15 -6.126 19.565 5.348 1.00 0.00 C ATOM 195 C PRO A 15 -5.159 18.548 5.956 1.00 0.00 C ATOM 196 O PRO A 15 -5.462 17.358 6.019 1.00 0.00 O ATOM 197 CB PRO A 15 -7.393 19.745 6.169 1.00 0.00 C ATOM 198 CG PRO A 15 -8.475 18.963 5.444 1.00 0.00 C ATOM 199 CD PRO A 15 -7.957 18.629 4.054 1.00 0.00 C ATOM 0 HA PRO A 15 -5.558 20.495 5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.256 19.373 7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.660 20.799 6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.718 18.051 5.990 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.391 19.550 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.989 17.556 3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.560 19.106 3.281 1.00 0.00 H new ATOM 204 N ARG A 16 -4.014 19.055 6.388 1.00 0.00 N ATOM 205 CA ARG A 16 -2.999 18.206 6.990 1.00 0.00 C ATOM 206 C ARG A 16 -3.621 17.324 8.075 1.00 0.00 C ATOM 207 O ARG A 16 -3.064 16.286 8.431 1.00 0.00 O ATOM 208 CB ARG A 16 -1.874 19.042 7.604 1.00 0.00 C ATOM 209 CG ARG A 16 -2.323 19.684 8.917 1.00 0.00 C ATOM 210 CD ARG A 16 -3.371 20.771 8.666 1.00 0.00 C ATOM 211 NE ARG A 16 -2.852 21.760 7.695 1.00 0.00 N ATOM 212 CZ ARG A 16 -3.592 22.730 7.143 1.00 0.00 C ATOM 213 NH1 ARG A 16 -4.888 22.849 7.463 1.00 0.00 N ATOM 214 NH2 ARG A 16 -3.036 23.583 6.271 1.00 0.00 N ATOM 0 H ARG A 16 -3.766 20.043 6.333 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.581 17.579 6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.003 18.411 7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.567 19.817 6.902 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.736 18.921 9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.462 20.115 9.428 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.288 20.322 8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.624 21.267 9.603 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.869 21.699 7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.311 22.201 8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.451 23.588 7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.049 23.493 6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.600 24.322 5.850 1.00 0.00 H new ATOM 225 N THR A 17 -4.766 17.769 8.571 1.00 0.00 N ATOM 226 CA THR A 17 -5.469 17.033 9.608 1.00 0.00 C ATOM 227 C THR A 17 -6.614 16.220 9.001 1.00 0.00 C ATOM 228 O THR A 17 -7.585 15.902 9.687 1.00 0.00 O ATOM 229 CB THR A 17 -5.929 18.035 10.669 1.00 0.00 C ATOM 230 OG1 THR A 17 -4.729 18.690 11.072 1.00 0.00 O ATOM 231 CG2 THR A 17 -6.426 17.350 11.943 1.00 0.00 C ATOM 0 H THR A 17 -5.225 18.630 8.274 1.00 0.00 H new ATOM 0 HA THR A 17 -4.816 16.305 10.090 1.00 0.00 H new ATOM 0 HB THR A 17 -6.723 18.659 10.259 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.936 19.359 11.758 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.740 18.105 12.663 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.270 16.704 11.703 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.622 16.752 12.372 1.00 0.00 H new ATOM 239 N LEU A 18 -6.463 15.907 7.724 1.00 0.00 N ATOM 240 CA LEU A 18 -7.473 15.137 7.017 1.00 0.00 C ATOM 241 C LEU A 18 -7.181 13.645 7.184 1.00 0.00 C ATOM 242 O LEU A 18 -7.493 13.059 8.220 1.00 0.00 O ATOM 243 CB LEU A 18 -7.566 15.586 5.558 1.00 0.00 C ATOM 244 CG LEU A 18 -8.855 15.214 4.822 1.00 0.00 C ATOM 245 CD1 LEU A 18 -9.144 13.717 4.945 1.00 0.00 C ATOM 246 CD2 LEU A 18 -10.029 16.065 5.307 1.00 0.00 C ATOM 0 H LEU A 18 -5.656 16.172 7.159 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.459 15.319 7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.452 16.669 5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.724 15.159 5.013 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.717 15.430 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.065 13.479 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.319 13.150 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.254 13.453 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.932 15.780 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.178 15.904 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.815 17.118 5.125 1.00 0.00 H new ATOM 257 N CYS A 19 -6.584 13.072 6.149 1.00 0.00 N ATOM 258 CA CYS A 19 -6.245 11.659 6.168 1.00 0.00 C ATOM 259 C CYS A 19 -4.756 11.527 6.498 1.00 0.00 C ATOM 260 O CYS A 19 -4.146 10.494 6.225 1.00 0.00 O ATOM 261 CB CYS A 19 -6.599 10.974 4.847 1.00 0.00 C ATOM 262 SG CYS A 19 -7.927 9.719 4.965 1.00 0.00 S ATOM 0 H CYS A 19 -6.326 13.561 5.292 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.833 11.152 6.933 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.901 11.736 4.128 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.703 10.498 4.449 1.00 0.00 H new ATOM 266 N GLY A 20 -4.216 12.587 7.080 1.00 0.00 N ATOM 267 CA GLY A 20 -2.810 12.602 7.450 1.00 0.00 C ATOM 268 C GLY A 20 -1.946 11.985 6.347 1.00 0.00 C ATOM 269 O GLY A 20 -1.869 10.764 6.224 1.00 0.00 O ATOM 0 H GLY A 20 -4.726 13.441 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.490 13.627 7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.669 12.050 8.379 1.00 0.00 H new ATOM 273 N ALA A 21 -1.319 12.858 5.573 1.00 0.00 N ATOM 274 CA ALA A 21 -0.465 12.416 4.485 1.00 0.00 C ATOM 275 C ALA A 21 0.577 11.435 5.027 1.00 0.00 C ATOM 276 O ALA A 21 1.212 10.711 4.261 1.00 0.00 O ATOM 277 CB ALA A 21 0.175 13.631 3.810 1.00 0.00 C ATOM 0 H ALA A 21 -1.386 13.870 5.678 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.049 11.893 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.816 13.298 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.606 14.282 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.772 14.180 4.539 1.00 0.00 H new ATOM 283 N GLU A 22 0.721 11.443 6.345 1.00 0.00 N ATOM 284 CA GLU A 22 1.675 10.563 6.998 1.00 0.00 C ATOM 285 C GLU A 22 1.564 9.146 6.433 1.00 0.00 C ATOM 286 O GLU A 22 2.517 8.370 6.501 1.00 0.00 O ATOM 287 CB GLU A 22 1.474 10.565 8.515 1.00 0.00 C ATOM 288 CG GLU A 22 2.813 10.465 9.247 1.00 0.00 C ATOM 289 CD GLU A 22 2.633 10.672 10.751 1.00 0.00 C ATOM 290 OE1 GLU A 22 2.680 11.848 11.172 1.00 0.00 O ATOM 291 OE2 GLU A 22 2.452 9.650 11.448 1.00 0.00 O ATOM 0 H GLU A 22 0.193 12.045 6.977 1.00 0.00 H new ATOM 0 HA GLU A 22 2.679 10.936 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.959 11.477 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.836 9.729 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.260 9.488 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.503 11.212 8.854 1.00 0.00 H new ATOM 296 N LEU A 23 0.394 8.851 5.886 1.00 0.00 N ATOM 297 CA LEU A 23 0.147 7.541 5.309 1.00 0.00 C ATOM 298 C LEU A 23 1.083 7.327 4.118 1.00 0.00 C ATOM 299 O LEU A 23 1.569 6.220 3.896 1.00 0.00 O ATOM 300 CB LEU A 23 -1.334 7.378 4.963 1.00 0.00 C ATOM 301 CG LEU A 23 -2.297 7.304 6.150 1.00 0.00 C ATOM 302 CD1 LEU A 23 -3.742 7.529 5.700 1.00 0.00 C ATOM 303 CD2 LEU A 23 -2.131 5.985 6.907 1.00 0.00 C ATOM 0 H LEU A 23 -0.393 9.497 5.830 1.00 0.00 H new ATOM 0 HA LEU A 23 0.370 6.758 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.633 8.214 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.450 6.471 4.370 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.048 8.108 6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.405 7.471 6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.831 8.513 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.021 6.763 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.826 5.957 7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.338 5.152 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.110 5.905 7.280 1.00 0.00 H new ATOM 314 N VAL A 24 1.309 8.407 3.383 1.00 0.00 N ATOM 315 CA VAL A 24 2.179 8.351 2.220 1.00 0.00 C ATOM 316 C VAL A 24 3.636 8.469 2.672 1.00 0.00 C ATOM 317 O VAL A 24 4.502 7.748 2.180 1.00 0.00 O ATOM 318 CB VAL A 24 1.776 9.433 1.214 1.00 0.00 C ATOM 319 CG1 VAL A 24 1.232 10.671 1.929 1.00 0.00 C ATOM 320 CG2 VAL A 24 2.950 9.797 0.303 1.00 0.00 C ATOM 0 H VAL A 24 0.905 9.325 3.570 1.00 0.00 H new ATOM 0 HA VAL A 24 2.074 7.394 1.709 1.00 0.00 H new ATOM 0 HB VAL A 24 0.979 9.030 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.953 11.424 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.356 10.396 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.999 11.076 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.638 10.567 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.777 10.171 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.273 8.912 -0.246 1.00 0.00 H new ATOM 330 N ASP A 25 3.861 9.382 3.606 1.00 0.00 N ATOM 331 CA ASP A 25 5.197 9.602 4.130 1.00 0.00 C ATOM 332 C ASP A 25 5.575 8.444 5.056 1.00 0.00 C ATOM 333 O ASP A 25 6.730 8.318 5.459 1.00 0.00 O ATOM 334 CB ASP A 25 5.264 10.898 4.941 1.00 0.00 C ATOM 335 CG ASP A 25 5.964 12.063 4.240 1.00 0.00 C ATOM 336 OD1 ASP A 25 6.809 11.776 3.366 1.00 0.00 O ATOM 337 OD2 ASP A 25 5.637 13.217 4.595 1.00 0.00 O ATOM 0 H ASP A 25 3.140 9.978 4.013 1.00 0.00 H new ATOM 0 HA ASP A 25 5.883 9.669 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.249 11.203 5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.780 10.695 5.880 1.00 0.00 H new ATOM 341 N ALA A 26 4.578 7.628 5.366 1.00 0.00 N ATOM 342 CA ALA A 26 4.791 6.485 6.237 1.00 0.00 C ATOM 343 C ALA A 26 5.405 5.341 5.429 1.00 0.00 C ATOM 344 O ALA A 26 6.496 4.868 5.746 1.00 0.00 O ATOM 345 CB ALA A 26 3.467 6.089 6.894 1.00 0.00 C ATOM 0 H ALA A 26 3.621 7.736 5.030 1.00 0.00 H new ATOM 0 HA ALA A 26 5.489 6.737 7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.627 5.231 7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.087 6.926 7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.742 5.827 6.123 1.00 0.00 H new ATOM 351 N LEU A 27 4.678 4.927 4.401 1.00 0.00 N ATOM 352 CA LEU A 27 5.138 3.846 3.545 1.00 0.00 C ATOM 353 C LEU A 27 6.566 4.143 3.080 1.00 0.00 C ATOM 354 O LEU A 27 7.427 3.266 3.114 1.00 0.00 O ATOM 355 CB LEU A 27 4.153 3.616 2.397 1.00 0.00 C ATOM 356 CG LEU A 27 2.743 3.179 2.801 1.00 0.00 C ATOM 357 CD1 LEU A 27 1.700 4.199 2.339 1.00 0.00 C ATOM 358 CD2 LEU A 27 2.437 1.772 2.286 1.00 0.00 C ATOM 0 H LEU A 27 3.774 5.321 4.142 1.00 0.00 H new ATOM 0 HA LEU A 27 5.171 2.908 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.075 4.538 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.570 2.859 1.733 1.00 0.00 H new ATOM 0 HG LEU A 27 2.695 3.140 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.707 3.865 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.910 5.166 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.739 4.293 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.429 1.486 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.509 1.759 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.155 1.067 2.705 1.00 0.00 H new ATOM 369 N GLN A 28 6.771 5.381 2.657 1.00 0.00 N ATOM 370 CA GLN A 28 8.079 5.804 2.187 1.00 0.00 C ATOM 371 C GLN A 28 8.982 6.154 3.371 1.00 0.00 C ATOM 372 O GLN A 28 10.198 6.259 3.219 1.00 0.00 O ATOM 373 CB GLN A 28 7.959 6.984 1.221 1.00 0.00 C ATOM 374 CG GLN A 28 8.891 6.808 0.021 1.00 0.00 C ATOM 375 CD GLN A 28 8.382 5.705 -0.911 1.00 0.00 C ATOM 376 OE1 GLN A 28 8.171 4.571 -0.514 1.00 0.00 O ATOM 377 NE2 GLN A 28 8.200 6.099 -2.167 1.00 0.00 N ATOM 0 H GLN A 28 6.053 6.105 2.630 1.00 0.00 H new ATOM 0 HA GLN A 28 8.533 4.976 1.643 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.929 7.073 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.202 7.911 1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.965 7.747 -0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.894 6.562 0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.396 7.064 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.864 5.436 -2.866 1.00 0.00 H new ATOM 384 N PHE A 29 8.352 6.325 4.524 1.00 0.00 N ATOM 385 CA PHE A 29 9.084 6.661 5.733 1.00 0.00 C ATOM 386 C PHE A 29 10.056 5.543 6.114 1.00 0.00 C ATOM 387 O PHE A 29 11.157 5.810 6.594 1.00 0.00 O ATOM 388 CB PHE A 29 8.050 6.824 6.850 1.00 0.00 C ATOM 389 CG PHE A 29 8.378 6.037 8.120 1.00 0.00 C ATOM 390 CD1 PHE A 29 9.590 6.184 8.719 1.00 0.00 C ATOM 391 CD2 PHE A 29 7.457 5.189 8.651 1.00 0.00 C ATOM 392 CE1 PHE A 29 9.893 5.454 9.899 1.00 0.00 C ATOM 393 CE2 PHE A 29 7.759 4.458 9.830 1.00 0.00 C ATOM 394 CZ PHE A 29 8.972 4.606 10.429 1.00 0.00 C ATOM 0 H PHE A 29 7.343 6.237 4.646 1.00 0.00 H new ATOM 0 HA PHE A 29 9.663 7.571 5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.965 7.881 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.076 6.506 6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.323 6.856 8.297 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.495 5.071 8.175 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.855 5.573 10.375 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.027 3.785 10.251 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.203 4.050 11.325 1.00 0.00 H new ATOM 403 N VAL A 30 9.615 4.314 5.886 1.00 0.00 N ATOM 404 CA VAL A 30 10.432 3.155 6.200 1.00 0.00 C ATOM 405 C VAL A 30 11.098 2.645 4.921 1.00 0.00 C ATOM 406 O VAL A 30 12.132 1.980 4.976 1.00 0.00 O ATOM 407 CB VAL A 30 9.585 2.090 6.899 1.00 0.00 C ATOM 408 CG1 VAL A 30 10.323 0.751 6.955 1.00 0.00 C ATOM 409 CG2 VAL A 30 9.173 2.549 8.299 1.00 0.00 C ATOM 0 H VAL A 30 8.702 4.096 5.487 1.00 0.00 H new ATOM 0 HA VAL A 30 11.227 3.425 6.895 1.00 0.00 H new ATOM 0 HB VAL A 30 8.677 1.947 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.698 0.012 7.457 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.542 0.413 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.256 0.872 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.572 1.774 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.064 2.735 8.898 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.589 3.466 8.224 1.00 0.00 H new ATOM 419 N CYS A 31 10.477 2.974 3.797 1.00 0.00 N ATOM 420 CA CYS A 31 10.997 2.558 2.506 1.00 0.00 C ATOM 421 C CYS A 31 11.876 3.683 1.955 1.00 0.00 C ATOM 422 O CYS A 31 12.776 3.436 1.154 1.00 0.00 O ATOM 423 CB CYS A 31 9.872 2.188 1.536 1.00 0.00 C ATOM 424 SG CYS A 31 9.780 0.410 1.112 1.00 0.00 S ATOM 0 H CYS A 31 9.619 3.524 3.754 1.00 0.00 H new ATOM 0 HA CYS A 31 11.597 1.656 2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.921 2.493 1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.000 2.760 0.617 1.00 0.00 H new ATOM 428 N GLY A 32 11.585 4.893 2.409 1.00 0.00 N ATOM 429 CA GLY A 32 12.338 6.057 1.972 1.00 0.00 C ATOM 430 C GLY A 32 11.569 7.348 2.259 1.00 0.00 C ATOM 431 O GLY A 32 10.555 7.625 1.620 1.00 0.00 O ATOM 0 H GLY A 32 10.839 5.093 3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.302 6.083 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.543 5.982 0.904 1.00 0.00 H new ATOM 435 N ASP A 33 12.081 8.103 3.220 1.00 0.00 N ATOM 436 CA ASP A 33 11.455 9.358 3.600 1.00 0.00 C ATOM 437 C ASP A 33 11.362 10.268 2.374 1.00 0.00 C ATOM 438 O ASP A 33 11.474 11.487 2.491 1.00 0.00 O ATOM 439 CB ASP A 33 12.277 10.083 4.666 1.00 0.00 C ATOM 440 CG ASP A 33 12.609 9.249 5.905 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.207 8.066 5.917 1.00 0.00 O ATOM 442 OD2 ASP A 33 13.258 9.814 6.812 1.00 0.00 O ATOM 0 H ASP A 33 12.923 7.870 3.747 1.00 0.00 H new ATOM 0 HA ASP A 33 10.466 9.134 3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.209 10.423 4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.732 10.973 4.981 1.00 0.00 H new ATOM 446 N ARG A 34 11.158 9.640 1.224 1.00 0.00 N ATOM 447 CA ARG A 34 11.049 10.379 -0.023 1.00 0.00 C ATOM 448 C ARG A 34 9.582 10.503 -0.439 1.00 0.00 C ATOM 449 O ARG A 34 9.264 11.199 -1.402 1.00 0.00 O ATOM 450 CB ARG A 34 11.833 9.690 -1.140 1.00 0.00 C ATOM 451 CG ARG A 34 13.255 9.353 -0.687 1.00 0.00 C ATOM 452 CD ARG A 34 14.264 10.349 -1.262 1.00 0.00 C ATOM 453 NE ARG A 34 14.668 11.319 -0.220 1.00 0.00 N ATOM 454 CZ ARG A 34 15.321 10.987 0.903 1.00 0.00 C ATOM 455 NH1 ARG A 34 15.646 9.708 1.135 1.00 0.00 N ATOM 456 NH2 ARG A 34 15.646 11.933 1.794 1.00 0.00 N ATOM 0 H ARG A 34 11.065 8.629 1.130 1.00 0.00 H new ATOM 0 HA ARG A 34 11.469 11.372 0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.318 8.778 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.871 10.338 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.306 9.366 0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.513 8.343 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.140 9.818 -1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.825 10.875 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 34 14.435 12.301 -0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.397 8.987 0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.143 9.455 1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.397 12.906 1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.143 11.680 2.648 1.00 0.00 H new ATOM 467 N GLY A 35 8.728 9.818 0.308 1.00 0.00 N ATOM 468 CA GLY A 35 7.302 9.843 0.028 1.00 0.00 C ATOM 469 C GLY A 35 6.904 8.689 -0.893 1.00 0.00 C ATOM 470 O GLY A 35 7.501 8.500 -1.951 1.00 0.00 O ATOM 0 H GLY A 35 8.996 9.243 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.743 9.777 0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.036 10.792 -0.437 1.00 0.00 H new ATOM 474 N PHE A 36 5.898 7.945 -0.455 1.00 0.00 N ATOM 475 CA PHE A 36 5.412 6.814 -1.227 1.00 0.00 C ATOM 476 C PHE A 36 4.003 7.079 -1.761 1.00 0.00 C ATOM 477 O PHE A 36 3.426 8.134 -1.503 1.00 0.00 O ATOM 478 CB PHE A 36 5.369 5.613 -0.280 1.00 0.00 C ATOM 479 CG PHE A 36 4.792 4.344 -0.911 1.00 0.00 C ATOM 480 CD1 PHE A 36 5.497 3.677 -1.864 1.00 0.00 C ATOM 481 CD2 PHE A 36 3.575 3.882 -0.518 1.00 0.00 C ATOM 482 CE1 PHE A 36 4.961 2.500 -2.449 1.00 0.00 C ATOM 483 CE2 PHE A 36 3.040 2.704 -1.103 1.00 0.00 C ATOM 484 CZ PHE A 36 3.745 2.038 -2.057 1.00 0.00 C ATOM 0 H PHE A 36 5.407 8.104 0.425 1.00 0.00 H new ATOM 0 HA PHE A 36 6.067 6.637 -2.080 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.379 5.404 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.774 5.874 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.464 4.043 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.015 4.411 0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.520 1.971 -3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.074 2.337 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.338 1.142 -2.503 1.00 0.00 H new ATOM 493 N TYR A 37 3.490 6.102 -2.494 1.00 0.00 N ATOM 494 CA TYR A 37 2.158 6.215 -3.066 1.00 0.00 C ATOM 495 C TYR A 37 1.133 5.451 -2.226 1.00 0.00 C ATOM 496 O TYR A 37 1.318 5.277 -1.023 1.00 0.00 O ATOM 497 CB TYR A 37 2.241 5.578 -4.454 1.00 0.00 C ATOM 498 CG TYR A 37 1.469 6.337 -5.535 1.00 0.00 C ATOM 499 CD1 TYR A 37 0.412 7.153 -5.184 1.00 0.00 C ATOM 500 CD2 TYR A 37 1.830 6.207 -6.860 1.00 0.00 C ATOM 501 CE1 TYR A 37 -0.314 7.869 -6.201 1.00 0.00 C ATOM 502 CE2 TYR A 37 1.104 6.923 -7.878 1.00 0.00 C ATOM 503 CZ TYR A 37 0.067 7.718 -7.498 1.00 0.00 C ATOM 504 OH TYR A 37 -0.618 8.394 -8.459 1.00 0.00 O ATOM 0 H TYR A 37 3.972 5.228 -2.705 1.00 0.00 H new ATOM 0 HA TYR A 37 1.843 7.258 -3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.288 5.511 -4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.860 4.558 -4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.130 7.254 -4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.657 5.569 -7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.142 8.511 -5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.377 6.831 -8.919 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.235 8.191 -9.338 1.00 0.00 H new ATOM 513 N PHE A 38 0.075 5.016 -2.894 1.00 0.00 N ATOM 514 CA PHE A 38 -0.980 4.275 -2.224 1.00 0.00 C ATOM 515 C PHE A 38 -1.583 3.220 -3.153 1.00 0.00 C ATOM 516 O PHE A 38 -0.895 2.289 -3.571 1.00 0.00 O ATOM 517 CB PHE A 38 -2.065 5.285 -1.846 1.00 0.00 C ATOM 518 CG PHE A 38 -1.663 6.237 -0.718 1.00 0.00 C ATOM 519 CD1 PHE A 38 -0.770 5.835 0.225 1.00 0.00 C ATOM 520 CD2 PHE A 38 -2.199 7.486 -0.660 1.00 0.00 C ATOM 521 CE1 PHE A 38 -0.397 6.719 1.272 1.00 0.00 C ATOM 522 CE2 PHE A 38 -1.826 8.370 0.386 1.00 0.00 C ATOM 523 CZ PHE A 38 -0.933 7.969 1.331 1.00 0.00 C ATOM 0 H PHE A 38 -0.074 5.162 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.578 3.763 -1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.324 5.871 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.963 4.744 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.344 4.844 0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.908 7.805 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.312 6.400 2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.251 9.362 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.650 8.642 2.127 1.00 0.00 H new ATOM 532 N ASN A 39 -2.862 3.400 -3.449 1.00 0.00 N ATOM 533 CA ASN A 39 -3.566 2.474 -4.321 1.00 0.00 C ATOM 534 C ASN A 39 -3.499 2.986 -5.761 1.00 0.00 C ATOM 535 O ASN A 39 -4.329 3.794 -6.175 1.00 0.00 O ATOM 536 CB ASN A 39 -5.040 2.359 -3.927 1.00 0.00 C ATOM 537 CG ASN A 39 -5.797 1.451 -4.898 1.00 0.00 C ATOM 538 OD1 ASN A 39 -6.114 0.310 -4.602 1.00 0.00 O ATOM 539 ND2 ASN A 39 -6.069 2.018 -6.069 1.00 0.00 N ATOM 0 H ASN A 39 -3.429 4.173 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.092 1.497 -4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.120 1.962 -2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.496 3.349 -3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.572 1.494 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.775 2.977 -6.252 1.00 0.00 H new ATOM 545 N LYS A 40 -2.503 2.496 -6.485 1.00 0.00 N ATOM 546 CA LYS A 40 -2.318 2.893 -7.870 1.00 0.00 C ATOM 547 C LYS A 40 -2.853 1.794 -8.788 1.00 0.00 C ATOM 548 O LYS A 40 -2.597 0.612 -8.561 1.00 0.00 O ATOM 549 CB LYS A 40 -0.855 3.256 -8.132 1.00 0.00 C ATOM 550 CG LYS A 40 -0.024 2.005 -8.423 1.00 0.00 C ATOM 551 CD LYS A 40 1.465 2.268 -8.187 1.00 0.00 C ATOM 552 CE LYS A 40 2.328 1.376 -9.082 1.00 0.00 C ATOM 553 NZ LYS A 40 3.070 2.194 -10.067 1.00 0.00 N ATOM 0 H LYS A 40 -1.816 1.827 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.890 3.795 -8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.792 3.943 -8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.445 3.776 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.358 1.186 -7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.182 1.691 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.689 3.316 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.709 2.084 -7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.029 0.807 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.698 0.653 -9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.651 1.573 -10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.396 2.718 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.685 2.867 -9.566 1.00 0.00 H new ATOM 563 N PRO A 41 -3.604 2.232 -9.834 1.00 0.00 N ATOM 564 CA PRO A 41 -4.178 1.298 -10.787 1.00 0.00 C ATOM 565 C PRO A 41 -3.107 0.759 -11.738 1.00 0.00 C ATOM 566 O PRO A 41 -2.915 1.293 -12.830 1.00 0.00 O ATOM 567 CB PRO A 41 -5.266 2.082 -11.501 1.00 0.00 C ATOM 568 CG PRO A 41 -4.954 3.549 -11.252 1.00 0.00 C ATOM 569 CD PRO A 41 -3.927 3.624 -10.133 1.00 0.00 C ATOM 0 HA PRO A 41 -4.594 0.411 -10.309 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.272 1.859 -12.568 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.252 1.821 -11.116 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.567 4.016 -12.158 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.859 4.090 -10.976 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.042 4.178 -10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.331 4.134 -9.258 1.00 0.00 H new ATOM 574 N THR A 42 -2.436 -0.292 -11.289 1.00 0.00 N ATOM 575 CA THR A 42 -1.391 -0.908 -12.087 1.00 0.00 C ATOM 576 C THR A 42 -1.773 -0.900 -13.568 1.00 0.00 C ATOM 577 O THR A 42 -2.949 -0.775 -13.908 1.00 0.00 O ATOM 578 CB THR A 42 -1.138 -2.312 -11.532 1.00 0.00 C ATOM 579 OG1 THR A 42 -1.469 -2.204 -10.150 1.00 0.00 O ATOM 580 CG2 THR A 42 0.346 -2.683 -11.531 1.00 0.00 C ATOM 0 H THR A 42 -2.596 -0.732 -10.383 1.00 0.00 H new ATOM 0 HA THR A 42 -0.461 -0.344 -12.022 1.00 0.00 H new ATOM 0 HB THR A 42 -1.694 -3.041 -12.122 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.363 -2.576 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.469 -3.688 -11.128 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.730 -2.651 -12.551 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.898 -1.974 -10.914 1.00 0.00 H new ATOM 588 N GLY A 43 -0.759 -1.036 -14.409 1.00 0.00 N ATOM 589 CA GLY A 43 -0.975 -1.045 -15.846 1.00 0.00 C ATOM 590 C GLY A 43 -2.252 -1.809 -16.204 1.00 0.00 C ATOM 591 O GLY A 43 -3.355 -1.288 -16.050 1.00 0.00 O ATOM 0 H GLY A 43 0.215 -1.141 -14.123 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.045 -0.021 -16.213 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.121 -1.505 -16.343 1.00 0.00 H new ATOM 595 N TYR A 44 -2.058 -3.033 -16.674 1.00 0.00 N ATOM 596 CA TYR A 44 -3.180 -3.874 -17.055 1.00 0.00 C ATOM 597 C TYR A 44 -3.711 -4.657 -15.852 1.00 0.00 C ATOM 598 O TYR A 44 -3.427 -4.310 -14.707 1.00 0.00 O ATOM 599 CB TYR A 44 -2.635 -4.861 -18.090 1.00 0.00 C ATOM 600 CG TYR A 44 -1.117 -4.799 -18.269 1.00 0.00 C ATOM 601 CD1 TYR A 44 -0.566 -3.929 -19.189 1.00 0.00 C ATOM 602 CD2 TYR A 44 -0.298 -5.612 -17.513 1.00 0.00 C ATOM 603 CE1 TYR A 44 0.862 -3.870 -19.359 1.00 0.00 C ATOM 604 CE2 TYR A 44 1.130 -5.553 -17.683 1.00 0.00 C ATOM 605 CZ TYR A 44 1.641 -4.685 -18.598 1.00 0.00 C ATOM 606 OH TYR A 44 2.990 -4.630 -18.757 1.00 0.00 O ATOM 0 H TYR A 44 -1.141 -3.462 -16.799 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.998 -3.269 -17.445 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.915 -5.872 -17.795 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -3.112 -4.665 -19.050 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.207 -3.293 -19.781 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.728 -6.293 -16.794 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.305 -3.194 -20.075 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.782 -6.184 -17.097 1.00 0.00 H new ATOM 0 HH TYR A 44 3.418 -5.267 -18.147 1.00 0.00 H new ATOM 615 N GLY A 45 -4.473 -5.698 -16.154 1.00 0.00 N ATOM 616 CA GLY A 45 -5.046 -6.533 -15.112 1.00 0.00 C ATOM 617 C GLY A 45 -3.950 -7.190 -14.271 1.00 0.00 C ATOM 618 O GLY A 45 -3.784 -8.409 -14.305 1.00 0.00 O ATOM 0 H GLY A 45 -4.707 -5.982 -17.105 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.689 -5.930 -14.471 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.674 -7.302 -15.562 1.00 0.00 H new ATOM 622 N SER A 46 -3.231 -6.355 -13.537 1.00 0.00 N ATOM 623 CA SER A 46 -2.155 -6.841 -12.689 1.00 0.00 C ATOM 624 C SER A 46 -2.730 -7.425 -11.397 1.00 0.00 C ATOM 625 O SER A 46 -2.543 -6.863 -10.319 1.00 0.00 O ATOM 626 CB SER A 46 -1.160 -5.724 -12.369 1.00 0.00 C ATOM 627 OG SER A 46 0.042 -6.229 -11.793 1.00 0.00 O ATOM 0 H SER A 46 -3.372 -5.345 -13.511 1.00 0.00 H new ATOM 0 HA SER A 46 -1.621 -7.624 -13.228 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.923 -5.177 -13.282 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.621 -5.014 -11.682 1.00 0.00 H new ATOM 0 HG SER A 46 0.791 -5.644 -12.034 1.00 0.00 H new ATOM 632 N SER A 47 -3.419 -8.546 -11.548 1.00 0.00 N ATOM 633 CA SER A 47 -4.023 -9.213 -10.406 1.00 0.00 C ATOM 634 C SER A 47 -2.942 -9.900 -9.570 1.00 0.00 C ATOM 635 O SER A 47 -2.848 -11.127 -9.558 1.00 0.00 O ATOM 636 CB SER A 47 -5.074 -10.230 -10.856 1.00 0.00 C ATOM 637 OG SER A 47 -5.638 -10.937 -9.754 1.00 0.00 O ATOM 0 H SER A 47 -3.573 -9.010 -12.443 1.00 0.00 H new ATOM 0 HA SER A 47 -4.522 -8.461 -9.795 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.866 -9.716 -11.401 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.620 -10.939 -11.548 1.00 0.00 H new ATOM 0 HG SER A 47 -6.305 -11.575 -10.082 1.00 0.00 H new ATOM 642 N SER A 48 -2.155 -9.080 -8.891 1.00 0.00 N ATOM 643 CA SER A 48 -1.084 -9.594 -8.052 1.00 0.00 C ATOM 644 C SER A 48 -1.430 -9.390 -6.577 1.00 0.00 C ATOM 645 O SER A 48 -2.428 -8.748 -6.253 1.00 0.00 O ATOM 646 CB SER A 48 0.247 -8.918 -8.385 1.00 0.00 C ATOM 647 OG SER A 48 0.720 -9.275 -9.680 1.00 0.00 O ATOM 0 H SER A 48 -2.236 -8.063 -8.904 1.00 0.00 H new ATOM 0 HA SER A 48 -0.978 -10.661 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.128 -7.836 -8.329 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.991 -9.196 -7.638 1.00 0.00 H new ATOM 0 HG SER A 48 1.571 -8.821 -9.854 1.00 0.00 H new ATOM 652 N ARG A 49 -0.586 -9.948 -5.721 1.00 0.00 N ATOM 653 CA ARG A 49 -0.791 -9.835 -4.287 1.00 0.00 C ATOM 654 C ARG A 49 -1.385 -8.468 -3.942 1.00 0.00 C ATOM 655 O ARG A 49 -0.736 -7.439 -4.131 1.00 0.00 O ATOM 656 CB ARG A 49 0.524 -10.018 -3.527 1.00 0.00 C ATOM 657 CG ARG A 49 0.604 -11.409 -2.896 1.00 0.00 C ATOM 658 CD ARG A 49 1.663 -12.268 -3.592 1.00 0.00 C ATOM 659 NE ARG A 49 1.034 -13.093 -4.647 1.00 0.00 N ATOM 660 CZ ARG A 49 1.697 -13.976 -5.406 1.00 0.00 C ATOM 661 NH1 ARG A 49 3.014 -14.153 -5.232 1.00 0.00 N ATOM 662 NH2 ARG A 49 1.043 -14.681 -6.339 1.00 0.00 N ATOM 0 H ARG A 49 0.241 -10.479 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.483 -10.622 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.364 -9.874 -4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.608 -9.257 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.843 -11.318 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.368 -11.899 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.431 -11.630 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.158 -12.910 -2.864 1.00 0.00 H new ATOM 0 HE ARG A 49 0.033 -12.983 -4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.511 -13.616 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.519 -14.825 -5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.041 -14.545 -6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.547 -15.353 -6.917 1.00 0.00 H new ATOM 673 N ARG A 50 -2.611 -8.500 -3.442 1.00 0.00 N ATOM 674 CA ARG A 50 -3.300 -7.276 -3.069 1.00 0.00 C ATOM 675 C ARG A 50 -2.302 -6.248 -2.533 1.00 0.00 C ATOM 676 O ARG A 50 -1.874 -6.332 -1.384 1.00 0.00 O ATOM 677 CB ARG A 50 -4.364 -7.547 -2.002 1.00 0.00 C ATOM 678 CG ARG A 50 -3.807 -8.428 -0.882 1.00 0.00 C ATOM 679 CD ARG A 50 -4.434 -8.065 0.464 1.00 0.00 C ATOM 680 NE ARG A 50 -4.959 -9.282 1.123 1.00 0.00 N ATOM 681 CZ ARG A 50 -5.955 -10.032 0.632 1.00 0.00 C ATOM 682 NH1 ARG A 50 -6.540 -9.694 -0.525 1.00 0.00 N ATOM 683 NH2 ARG A 50 -6.365 -11.120 1.298 1.00 0.00 N ATOM 0 H ARG A 50 -3.146 -9.355 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.787 -6.884 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.715 -6.603 -1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.226 -8.034 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.003 -9.476 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.725 -8.311 -0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.692 -7.587 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.239 -7.345 0.317 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.536 -9.568 2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.227 -8.866 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.298 -10.265 -0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.919 -11.377 2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.123 -11.691 0.924 1.00 0.00 H new ATOM 694 N ALA A 51 -1.960 -5.300 -3.394 1.00 0.00 N ATOM 695 CA ALA A 51 -1.020 -4.256 -3.022 1.00 0.00 C ATOM 696 C ALA A 51 -1.574 -2.898 -3.460 1.00 0.00 C ATOM 697 O ALA A 51 -1.063 -2.289 -4.398 1.00 0.00 O ATOM 698 CB ALA A 51 0.347 -4.555 -3.642 1.00 0.00 C ATOM 0 H ALA A 51 -2.317 -5.233 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.888 -4.226 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.052 -3.772 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.709 -5.516 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.254 -4.590 -4.727 1.00 0.00 H new ATOM 704 N CYS A 52 -2.611 -2.465 -2.759 1.00 0.00 N ATOM 705 CA CYS A 52 -3.239 -1.191 -3.062 1.00 0.00 C ATOM 706 C CYS A 52 -4.638 -1.185 -2.443 1.00 0.00 C ATOM 707 O CYS A 52 -4.986 -0.273 -1.695 1.00 0.00 O ATOM 708 CB CYS A 52 -3.281 -0.925 -4.569 1.00 0.00 C ATOM 709 SG CYS A 52 -3.743 -2.454 -5.461 1.00 0.00 S ATOM 0 H CYS A 52 -3.032 -2.974 -1.982 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.649 -0.381 -2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.000 -0.135 -4.787 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -2.308 -0.574 -4.912 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.667 -3.094 -5.811 1.00 0.00 H new ATOM 714 N GLN A 53 -5.403 -2.215 -2.776 1.00 0.00 N ATOM 715 CA GLN A 53 -6.756 -2.340 -2.262 1.00 0.00 C ATOM 716 C GLN A 53 -6.802 -1.941 -0.786 1.00 0.00 C ATOM 717 O GLN A 53 -7.853 -1.557 -0.276 1.00 0.00 O ATOM 718 CB GLN A 53 -7.289 -3.760 -2.463 1.00 0.00 C ATOM 719 CG GLN A 53 -7.283 -4.539 -1.145 1.00 0.00 C ATOM 720 CD GLN A 53 -7.739 -5.984 -1.362 1.00 0.00 C ATOM 721 OE1 GLN A 53 -7.453 -6.608 -2.369 1.00 0.00 O ATOM 722 NE2 GLN A 53 -8.462 -6.478 -0.360 1.00 0.00 N ATOM 0 H GLN A 53 -5.111 -2.971 -3.396 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.401 -1.662 -2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.303 -3.719 -2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.678 -4.281 -3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.280 -4.530 -0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.940 -4.050 -0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.665 -5.900 0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.813 -7.435 -0.408 1.00 0.00 H new ATOM 729 N THR A 54 -5.649 -2.044 -0.142 1.00 0.00 N ATOM 730 CA THR A 54 -5.545 -1.698 1.266 1.00 0.00 C ATOM 731 C THR A 54 -5.408 -0.183 1.434 1.00 0.00 C ATOM 732 O THR A 54 -4.707 0.285 2.330 1.00 0.00 O ATOM 733 CB THR A 54 -4.373 -2.483 1.860 1.00 0.00 C ATOM 734 OG1 THR A 54 -4.230 -3.603 0.991 1.00 0.00 O ATOM 735 CG2 THR A 54 -4.713 -3.104 3.216 1.00 0.00 C ATOM 0 H THR A 54 -4.779 -2.362 -0.569 1.00 0.00 H new ATOM 0 HA THR A 54 -6.449 -1.974 1.809 1.00 0.00 H new ATOM 0 HB THR A 54 -3.512 -1.824 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.490 -4.166 1.301 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.848 -3.650 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.981 -2.316 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.553 -3.789 3.102 1.00 0.00 H new ATOM 743 N GLY A 55 -6.089 0.541 0.557 1.00 0.00 N ATOM 744 CA GLY A 55 -6.052 1.992 0.598 1.00 0.00 C ATOM 745 C GLY A 55 -5.390 2.489 1.884 1.00 0.00 C ATOM 746 O GLY A 55 -6.061 2.689 2.896 1.00 0.00 O ATOM 0 H GLY A 55 -6.669 0.149 -0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.505 2.370 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.066 2.387 0.531 1.00 0.00 H new ATOM 750 N ILE A 56 -4.080 2.673 1.804 1.00 0.00 N ATOM 751 CA ILE A 56 -3.320 3.143 2.950 1.00 0.00 C ATOM 752 C ILE A 56 -3.855 4.507 3.388 1.00 0.00 C ATOM 753 O ILE A 56 -3.458 5.029 4.429 1.00 0.00 O ATOM 754 CB ILE A 56 -1.822 3.142 2.636 1.00 0.00 C ATOM 755 CG1 ILE A 56 -1.074 2.149 3.528 1.00 0.00 C ATOM 756 CG2 ILE A 56 -1.240 4.553 2.735 1.00 0.00 C ATOM 757 CD1 ILE A 56 -1.775 0.789 3.541 1.00 0.00 C ATOM 0 H ILE A 56 -3.526 2.505 0.964 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.446 2.465 3.794 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.690 2.811 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.051 2.032 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.013 2.541 4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.174 4.524 2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.745 5.206 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.385 4.936 3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.223 0.101 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.789 0.906 3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.812 0.389 2.528 1.00 0.00 H new ATOM 768 N VAL A 57 -4.747 5.047 2.572 1.00 0.00 N ATOM 769 CA VAL A 57 -5.342 6.341 2.862 1.00 0.00 C ATOM 770 C VAL A 57 -6.836 6.161 3.140 1.00 0.00 C ATOM 771 O VAL A 57 -7.371 6.745 4.081 1.00 0.00 O ATOM 772 CB VAL A 57 -5.061 7.315 1.716 1.00 0.00 C ATOM 773 CG1 VAL A 57 -4.058 8.389 2.142 1.00 0.00 C ATOM 774 CG2 VAL A 57 -4.572 6.571 0.472 1.00 0.00 C ATOM 0 H VAL A 57 -5.073 4.612 1.709 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.895 6.774 3.757 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.997 7.813 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.876 9.068 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.461 8.949 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.121 7.916 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.380 7.286 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.653 6.034 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.334 5.862 0.149 1.00 0.00 H new ATOM 784 N ASP A 58 -7.468 5.349 2.304 1.00 0.00 N ATOM 785 CA ASP A 58 -8.888 5.084 2.449 1.00 0.00 C ATOM 786 C ASP A 58 -9.087 3.857 3.341 1.00 0.00 C ATOM 787 O ASP A 58 -10.111 3.731 4.011 1.00 0.00 O ATOM 788 CB ASP A 58 -9.535 4.792 1.093 1.00 0.00 C ATOM 789 CG ASP A 58 -10.967 4.260 1.161 1.00 0.00 C ATOM 790 OD1 ASP A 58 -11.113 3.062 1.489 1.00 0.00 O ATOM 791 OD2 ASP A 58 -11.885 5.062 0.884 1.00 0.00 O ATOM 0 H ASP A 58 -7.022 4.866 1.524 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.352 5.967 2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.531 5.707 0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.919 4.066 0.562 1.00 0.00 H new ATOM 795 N GLU A 59 -8.090 2.984 3.322 1.00 0.00 N ATOM 796 CA GLU A 59 -8.143 1.772 4.120 1.00 0.00 C ATOM 797 C GLU A 59 -7.507 2.012 5.492 1.00 0.00 C ATOM 798 O GLU A 59 -7.804 1.301 6.451 1.00 0.00 O ATOM 799 CB GLU A 59 -7.460 0.609 3.397 1.00 0.00 C ATOM 800 CG GLU A 59 -8.178 -0.712 3.684 1.00 0.00 C ATOM 801 CD GLU A 59 -7.244 -1.703 4.382 1.00 0.00 C ATOM 802 OE1 GLU A 59 -6.324 -1.222 5.078 1.00 0.00 O ATOM 803 OE2 GLU A 59 -7.473 -2.919 4.204 1.00 0.00 O ATOM 0 H GLU A 59 -7.241 3.093 2.767 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.189 1.503 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.453 0.797 2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.420 0.539 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.051 -0.527 4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.540 -1.143 2.751 1.00 0.00 H new ATOM 808 N CYS A 60 -6.645 3.016 5.542 1.00 0.00 N ATOM 809 CA CYS A 60 -5.966 3.359 6.779 1.00 0.00 C ATOM 810 C CYS A 60 -6.883 4.275 7.592 1.00 0.00 C ATOM 811 O CYS A 60 -7.008 4.115 8.806 1.00 0.00 O ATOM 812 CB CYS A 60 -4.603 4.005 6.517 1.00 0.00 C ATOM 813 SG CYS A 60 -3.244 2.821 6.197 1.00 0.00 S ATOM 0 H CYS A 60 -6.401 3.604 4.745 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.762 2.452 7.348 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.692 4.675 5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.336 4.620 7.377 1.00 0.00 H new ATOM 817 N CYS A 61 -7.501 5.214 6.892 1.00 0.00 N ATOM 818 CA CYS A 61 -8.403 6.155 7.534 1.00 0.00 C ATOM 819 C CYS A 61 -9.667 5.401 7.951 1.00 0.00 C ATOM 820 O CYS A 61 -10.232 5.667 9.011 1.00 0.00 O ATOM 821 CB CYS A 61 -8.722 7.344 6.625 1.00 0.00 C ATOM 822 SG CYS A 61 -7.599 8.777 6.813 1.00 0.00 S ATOM 0 H CYS A 61 -7.395 5.344 5.886 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.924 6.576 8.418 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.691 7.009 5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.743 7.672 6.823 1.00 0.00 H new ATOM 826 N PHE A 62 -10.074 4.473 7.096 1.00 0.00 N ATOM 827 CA PHE A 62 -11.260 3.679 7.363 1.00 0.00 C ATOM 828 C PHE A 62 -10.919 2.450 8.208 1.00 0.00 C ATOM 829 O PHE A 62 -11.563 2.190 9.222 1.00 0.00 O ATOM 830 CB PHE A 62 -11.804 3.218 6.009 1.00 0.00 C ATOM 831 CG PHE A 62 -13.182 2.559 6.083 1.00 0.00 C ATOM 832 CD1 PHE A 62 -14.199 3.181 6.738 1.00 0.00 C ATOM 833 CD2 PHE A 62 -13.391 1.350 5.494 1.00 0.00 C ATOM 834 CE1 PHE A 62 -15.479 2.569 6.806 1.00 0.00 C ATOM 835 CE2 PHE A 62 -14.670 0.740 5.563 1.00 0.00 C ATOM 836 CZ PHE A 62 -15.687 1.361 6.218 1.00 0.00 C ATOM 0 H PHE A 62 -9.603 4.254 6.218 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.989 4.273 7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.859 4.077 5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.099 2.514 5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -14.033 4.140 7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.584 0.855 4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -16.287 3.063 7.325 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -14.836 -0.219 5.095 1.00 0.00 H new ATOM 0 HZ PHE A 62 -16.660 0.895 6.271 1.00 0.00 H new ATOM 845 N ARG A 63 -9.905 1.726 7.756 1.00 0.00 N ATOM 846 CA ARG A 63 -9.471 0.529 8.458 1.00 0.00 C ATOM 847 C ARG A 63 -8.163 0.798 9.205 1.00 0.00 C ATOM 848 O ARG A 63 -7.079 0.633 8.647 1.00 0.00 O ATOM 849 CB ARG A 63 -9.264 -0.635 7.486 1.00 0.00 C ATOM 850 CG ARG A 63 -9.857 -1.929 8.047 1.00 0.00 C ATOM 851 CD ARG A 63 -9.235 -3.154 7.374 1.00 0.00 C ATOM 852 NE ARG A 63 -8.730 -4.093 8.400 1.00 0.00 N ATOM 853 CZ ARG A 63 -9.512 -4.753 9.265 1.00 0.00 C ATOM 854 NH1 ARG A 63 -10.840 -4.582 9.232 1.00 0.00 N ATOM 855 NH2 ARG A 63 -8.966 -5.585 10.162 1.00 0.00 N ATOM 0 H ARG A 63 -9.372 1.944 6.914 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.252 0.260 9.169 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.731 -0.402 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.199 -0.771 7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.687 -1.975 9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.936 -1.935 7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.976 -3.651 6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.420 -2.845 6.719 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.723 -4.248 8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.256 -3.949 8.548 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.435 -5.084 9.890 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.955 -5.716 10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.562 -6.087 10.820 1.00 0.00 H new ATOM 866 N SER A 64 -8.308 1.209 10.457 1.00 0.00 N ATOM 867 CA SER A 64 -7.152 1.503 11.287 1.00 0.00 C ATOM 868 C SER A 64 -5.938 0.711 10.794 1.00 0.00 C ATOM 869 O SER A 64 -5.759 -0.449 11.159 1.00 0.00 O ATOM 870 CB SER A 64 -7.432 1.181 12.756 1.00 0.00 C ATOM 871 OG SER A 64 -7.913 -0.149 12.930 1.00 0.00 O ATOM 0 H SER A 64 -9.209 1.345 10.916 1.00 0.00 H new ATOM 0 HA SER A 64 -6.939 2.569 11.210 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.519 1.315 13.337 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.165 1.886 13.148 1.00 0.00 H new ATOM 0 HG SER A 64 -7.370 -0.766 12.396 1.00 0.00 H new ATOM 876 N CYS A 65 -5.138 1.371 9.970 1.00 0.00 N ATOM 877 CA CYS A 65 -3.946 0.745 9.423 1.00 0.00 C ATOM 878 C CYS A 65 -2.761 1.686 9.647 1.00 0.00 C ATOM 879 O CYS A 65 -2.531 2.600 8.857 1.00 0.00 O ATOM 880 CB CYS A 65 -4.122 0.390 7.944 1.00 0.00 C ATOM 881 SG CYS A 65 -3.029 1.310 6.800 1.00 0.00 S ATOM 0 H CYS A 65 -5.292 2.333 9.668 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.760 -0.198 9.936 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.942 -0.677 7.817 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.158 0.574 7.661 1.00 0.00 H new ATOM 885 N ASP A 66 -2.040 1.430 10.729 1.00 0.00 N ATOM 886 CA ASP A 66 -0.885 2.243 11.068 1.00 0.00 C ATOM 887 C ASP A 66 0.158 2.129 9.954 1.00 0.00 C ATOM 888 O ASP A 66 -0.168 2.272 8.776 1.00 0.00 O ATOM 889 CB ASP A 66 -0.239 1.768 12.370 1.00 0.00 C ATOM 890 CG ASP A 66 -1.205 1.591 13.543 1.00 0.00 C ATOM 891 OD1 ASP A 66 -1.424 2.596 14.255 1.00 0.00 O ATOM 892 OD2 ASP A 66 -1.701 0.455 13.704 1.00 0.00 O ATOM 0 H ASP A 66 -2.234 0.671 11.382 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.222 3.273 11.188 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.262 0.818 12.184 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.532 2.483 12.658 1.00 0.00 H new ATOM 896 N LEU A 67 1.391 1.874 10.365 1.00 0.00 N ATOM 897 CA LEU A 67 2.484 1.739 9.417 1.00 0.00 C ATOM 898 C LEU A 67 2.608 0.274 8.993 1.00 0.00 C ATOM 899 O LEU A 67 3.238 -0.033 7.982 1.00 0.00 O ATOM 900 CB LEU A 67 3.773 2.321 9.999 1.00 0.00 C ATOM 901 CG LEU A 67 3.645 3.685 10.680 1.00 0.00 C ATOM 902 CD1 LEU A 67 4.007 3.593 12.163 1.00 0.00 C ATOM 903 CD2 LEU A 67 4.478 4.742 9.951 1.00 0.00 C ATOM 0 H LEU A 67 1.658 1.757 11.343 1.00 0.00 H new ATOM 0 HA LEU A 67 2.279 2.316 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.174 1.612 10.723 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.505 2.405 9.196 1.00 0.00 H new ATOM 0 HG LEU A 67 2.603 4.000 10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.908 4.576 12.623 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.336 2.891 12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.035 3.246 12.266 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.369 5.702 10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.527 4.446 9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.132 4.832 8.921 1.00 0.00 H new ATOM 914 N ARG A 68 1.995 -0.593 9.788 1.00 0.00 N ATOM 915 CA ARG A 68 2.029 -2.019 9.507 1.00 0.00 C ATOM 916 C ARG A 68 1.954 -2.264 7.999 1.00 0.00 C ATOM 917 O ARG A 68 2.683 -3.098 7.466 1.00 0.00 O ATOM 918 CB ARG A 68 0.869 -2.742 10.195 1.00 0.00 C ATOM 919 CG ARG A 68 1.253 -3.165 11.615 1.00 0.00 C ATOM 920 CD ARG A 68 2.320 -4.261 11.591 1.00 0.00 C ATOM 921 NE ARG A 68 3.274 -4.062 12.705 1.00 0.00 N ATOM 922 CZ ARG A 68 4.172 -4.974 13.098 1.00 0.00 C ATOM 923 NH1 ARG A 68 4.244 -6.156 12.469 1.00 0.00 N ATOM 924 NH2 ARG A 68 4.997 -4.708 14.119 1.00 0.00 N ATOM 0 H ARG A 68 1.473 -0.335 10.625 1.00 0.00 H new ATOM 0 HA ARG A 68 2.968 -2.413 9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.003 -2.088 10.229 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.587 -3.620 9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.625 -2.302 12.167 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.369 -3.524 12.143 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.849 -5.240 11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.851 -4.243 10.639 1.00 0.00 H new ATOM 0 HE ARG A 68 3.246 -3.173 13.205 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.615 -6.359 11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.928 -6.852 12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.942 -3.809 14.599 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.680 -5.404 14.417 1.00 0.00 H new ATOM 935 N ARG A 69 1.063 -1.524 7.355 1.00 0.00 N ATOM 936 CA ARG A 69 0.882 -1.652 5.918 1.00 0.00 C ATOM 937 C ARG A 69 2.098 -1.091 5.179 1.00 0.00 C ATOM 938 O ARG A 69 2.567 -1.685 4.209 1.00 0.00 O ATOM 939 CB ARG A 69 -0.374 -0.914 5.454 1.00 0.00 C ATOM 940 CG ARG A 69 -1.297 -1.845 4.665 1.00 0.00 C ATOM 941 CD ARG A 69 -1.522 -3.159 5.415 1.00 0.00 C ATOM 942 NE ARG A 69 -2.972 -3.427 5.542 1.00 0.00 N ATOM 943 CZ ARG A 69 -3.497 -4.647 5.723 1.00 0.00 C ATOM 944 NH1 ARG A 69 -2.695 -5.718 5.798 1.00 0.00 N ATOM 945 NH2 ARG A 69 -4.825 -4.796 5.828 1.00 0.00 N ATOM 0 H ARG A 69 0.459 -0.834 7.801 1.00 0.00 H new ATOM 0 HA ARG A 69 0.771 -2.712 5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.906 -0.515 6.318 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.092 -0.064 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.254 -1.353 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.862 -2.050 3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.037 -3.978 4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.066 -3.106 6.403 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.611 -2.634 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.684 -5.605 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.095 -6.646 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.436 -3.981 5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.225 -5.724 5.966 1.00 0.00 H new ATOM 956 N LEU A 70 2.574 0.046 5.664 1.00 0.00 N ATOM 957 CA LEU A 70 3.726 0.694 5.061 1.00 0.00 C ATOM 958 C LEU A 70 4.791 -0.358 4.750 1.00 0.00 C ATOM 959 O LEU A 70 5.407 -0.328 3.685 1.00 0.00 O ATOM 960 CB LEU A 70 4.227 1.834 5.951 1.00 0.00 C ATOM 961 CG LEU A 70 5.685 1.738 6.405 1.00 0.00 C ATOM 962 CD1 LEU A 70 6.624 1.589 5.206 1.00 0.00 C ATOM 963 CD2 LEU A 70 6.064 2.930 7.287 1.00 0.00 C ATOM 0 H LEU A 70 2.182 0.536 6.469 1.00 0.00 H new ATOM 0 HA LEU A 70 3.450 1.159 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.095 2.773 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.594 1.882 6.837 1.00 0.00 H new ATOM 0 HG LEU A 70 5.796 0.840 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.654 1.523 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.369 0.684 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.518 2.454 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.105 2.837 7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.933 3.855 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.424 2.948 8.169 1.00 0.00 H new ATOM 974 N GLU A 71 4.979 -1.264 5.699 1.00 0.00 N ATOM 975 CA GLU A 71 5.960 -2.324 5.539 1.00 0.00 C ATOM 976 C GLU A 71 5.442 -3.384 4.567 1.00 0.00 C ATOM 977 O GLU A 71 6.201 -3.910 3.754 1.00 0.00 O ATOM 978 CB GLU A 71 6.318 -2.946 6.890 1.00 0.00 C ATOM 979 CG GLU A 71 5.575 -4.267 7.099 1.00 0.00 C ATOM 980 CD GLU A 71 5.769 -4.784 8.526 1.00 0.00 C ATOM 981 OE1 GLU A 71 6.945 -4.952 8.914 1.00 0.00 O ATOM 982 OE2 GLU A 71 4.735 -5.000 9.197 1.00 0.00 O ATOM 0 H GLU A 71 4.468 -1.286 6.582 1.00 0.00 H new ATOM 0 HA GLU A 71 6.870 -1.892 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.393 -3.117 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.066 -2.252 7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.513 -4.126 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.937 -5.009 6.387 1.00 0.00 H new ATOM 987 N MET A 72 4.153 -3.668 4.681 1.00 0.00 N ATOM 988 CA MET A 72 3.525 -4.657 3.822 1.00 0.00 C ATOM 989 C MET A 72 3.537 -4.201 2.361 1.00 0.00 C ATOM 990 O MET A 72 3.962 -4.945 1.478 1.00 0.00 O ATOM 991 CB MET A 72 2.081 -4.883 4.274 1.00 0.00 C ATOM 992 CG MET A 72 1.952 -6.187 5.065 1.00 0.00 C ATOM 993 SD MET A 72 1.599 -7.540 3.956 1.00 0.00 S ATOM 994 CE MET A 72 3.262 -8.060 3.564 1.00 0.00 C ATOM 0 H MET A 72 3.526 -3.230 5.356 1.00 0.00 H new ATOM 0 HA MET A 72 4.089 -5.587 3.898 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.754 -4.046 4.890 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.425 -4.914 3.404 1.00 0.00 H new ATOM 0 HG2 MET A 72 2.875 -6.384 5.610 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.157 -6.096 5.806 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.269 -9.130 3.355 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.616 -7.517 2.688 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.917 -7.851 4.410 1.00 0.00 H new ATOM 1002 N TYR A 73 3.067 -2.981 2.152 1.00 0.00 N ATOM 1003 CA TYR A 73 3.018 -2.417 0.814 1.00 0.00 C ATOM 1004 C TYR A 73 4.377 -1.839 0.412 1.00 0.00 C ATOM 1005 O TYR A 73 4.683 -1.729 -0.774 1.00 0.00 O ATOM 1006 CB TYR A 73 1.992 -1.283 0.870 1.00 0.00 C ATOM 1007 CG TYR A 73 1.358 -0.950 -0.482 1.00 0.00 C ATOM 1008 CD1 TYR A 73 1.860 -1.513 -1.638 1.00 0.00 C ATOM 1009 CD2 TYR A 73 0.285 -0.085 -0.546 1.00 0.00 C ATOM 1010 CE1 TYR A 73 1.264 -1.198 -2.910 1.00 0.00 C ATOM 1011 CE2 TYR A 73 -0.312 0.230 -1.819 1.00 0.00 C ATOM 1012 CZ TYR A 73 0.207 -0.343 -2.938 1.00 0.00 C ATOM 1013 OH TYR A 73 -0.355 -0.046 -4.139 1.00 0.00 O ATOM 0 H TYR A 73 2.716 -2.367 2.887 1.00 0.00 H new ATOM 0 HA TYR A 73 2.754 -3.183 0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.204 -1.554 1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.475 -0.389 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.700 -2.190 -1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.108 0.356 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.648 -1.631 -3.822 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.152 0.906 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.355 -0.845 -4.706 1.00 0.00 H new ATOM 1022 N CYS A 74 5.155 -1.483 1.425 1.00 0.00 N ATOM 1023 CA CYS A 74 6.474 -0.920 1.192 1.00 0.00 C ATOM 1024 C CYS A 74 6.816 -1.093 -0.289 1.00 0.00 C ATOM 1025 O CYS A 74 7.905 -1.556 -0.628 1.00 0.00 O ATOM 1026 CB CYS A 74 7.528 -1.555 2.100 1.00 0.00 C ATOM 1027 SG CYS A 74 8.758 -0.384 2.784 1.00 0.00 S ATOM 0 H CYS A 74 4.897 -1.574 2.408 1.00 0.00 H new ATOM 0 HA CYS A 74 6.468 0.141 1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.022 -2.053 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.055 -2.326 1.538 1.00 0.00 H new ATOM 1031 N ALA A 75 5.868 -0.713 -1.132 1.00 0.00 N ATOM 1032 CA ALA A 75 6.055 -0.821 -2.568 1.00 0.00 C ATOM 1033 C ALA A 75 7.072 0.227 -3.026 1.00 0.00 C ATOM 1034 O ALA A 75 7.347 1.186 -2.306 1.00 0.00 O ATOM 1035 CB ALA A 75 4.706 -0.670 -3.273 1.00 0.00 C ATOM 0 HA ALA A 75 6.451 -1.802 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.848 -0.751 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.029 -1.455 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.278 0.304 -3.036 1.00 0.00 H new ATOM 1041 N PRO A 76 7.617 0.003 -4.252 1.00 0.00 N ATOM 1042 CA PRO A 76 8.597 0.916 -4.813 1.00 0.00 C ATOM 1043 C PRO A 76 7.929 2.202 -5.306 1.00 0.00 C ATOM 1044 O PRO A 76 6.799 2.503 -4.927 1.00 0.00 O ATOM 1045 CB PRO A 76 9.272 0.133 -5.927 1.00 0.00 C ATOM 1046 CG PRO A 76 8.336 -1.018 -6.253 1.00 0.00 C ATOM 1047 CD PRO A 76 7.315 -1.121 -5.132 1.00 0.00 C ATOM 0 HA PRO A 76 9.330 1.250 -4.078 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.437 0.762 -6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.248 -0.235 -5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.839 -0.847 -7.208 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.895 -1.949 -6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.297 -1.060 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.400 -2.071 -4.605 1.00 0.00 H new ATOM 1052 N LEU A 77 8.658 2.925 -6.145 1.00 0.00 N ATOM 1053 CA LEU A 77 8.150 4.170 -6.694 1.00 0.00 C ATOM 1054 C LEU A 77 9.059 4.627 -7.837 1.00 0.00 C ATOM 1055 O LEU A 77 9.941 5.461 -7.639 1.00 0.00 O ATOM 1056 CB LEU A 77 7.982 5.214 -5.588 1.00 0.00 C ATOM 1057 CG LEU A 77 6.600 5.863 -5.482 1.00 0.00 C ATOM 1058 CD1 LEU A 77 6.671 7.184 -4.713 1.00 0.00 C ATOM 1059 CD2 LEU A 77 5.969 6.038 -6.865 1.00 0.00 C ATOM 0 H LEU A 77 9.595 2.672 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 77 7.156 4.023 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.214 4.743 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.720 6.001 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 77 5.952 5.195 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.675 7.624 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.048 7.000 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.340 7.871 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.988 6.501 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.607 6.674 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.862 5.064 -7.342 1.00 0.00 H new ATOM 1070 N LYS A 78 8.812 4.060 -9.010 1.00 0.00 N ATOM 1071 CA LYS A 78 9.597 4.397 -10.185 1.00 0.00 C ATOM 1072 C LYS A 78 8.997 5.635 -10.855 1.00 0.00 C ATOM 1073 O LYS A 78 7.801 5.896 -10.729 1.00 0.00 O ATOM 1074 CB LYS A 78 9.714 3.190 -11.117 1.00 0.00 C ATOM 1075 CG LYS A 78 11.170 2.940 -11.510 1.00 0.00 C ATOM 1076 CD LYS A 78 11.332 2.921 -13.031 1.00 0.00 C ATOM 1077 CE LYS A 78 11.536 1.493 -13.543 1.00 0.00 C ATOM 1078 NZ LYS A 78 10.427 0.620 -13.098 1.00 0.00 N ATOM 0 H LYS A 78 8.079 3.369 -9.171 1.00 0.00 H new ATOM 0 HA LYS A 78 10.618 4.650 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.310 2.306 -10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.116 3.358 -12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.804 3.717 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.505 1.990 -11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.450 3.357 -13.500 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.183 3.539 -13.317 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.591 1.495 -14.632 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.485 1.101 -13.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.374 -0.216 -13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.596 0.317 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.531 1.145 -13.148 1.00 0.00 H new ATOM 1088 N PRO A 79 9.877 6.385 -11.571 1.00 0.00 N ATOM 1089 CA PRO A 79 9.447 7.589 -12.261 1.00 0.00 C ATOM 1090 C PRO A 79 8.658 7.244 -13.526 1.00 0.00 C ATOM 1091 O PRO A 79 9.213 6.698 -14.478 1.00 0.00 O ATOM 1092 CB PRO A 79 10.727 8.356 -12.549 1.00 0.00 C ATOM 1093 CG PRO A 79 11.855 7.344 -12.429 1.00 0.00 C ATOM 1094 CD PRO A 79 11.299 6.107 -11.742 1.00 0.00 C ATOM 0 HA PRO A 79 8.762 8.193 -11.666 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.702 8.797 -13.545 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.860 9.174 -11.841 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.247 7.090 -13.414 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.682 7.761 -11.854 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.458 5.214 -12.346 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.787 5.934 -10.783 1.00 0.00 H new ATOM 1099 N ALA A 80 7.376 7.577 -13.495 1.00 0.00 N ATOM 1100 CA ALA A 80 6.506 7.309 -14.627 1.00 0.00 C ATOM 1101 C ALA A 80 5.247 8.171 -14.512 1.00 0.00 C ATOM 1102 O ALA A 80 4.889 8.610 -13.420 1.00 0.00 O ATOM 1103 CB ALA A 80 6.186 5.813 -14.683 1.00 0.00 C ATOM 0 H ALA A 80 6.919 8.030 -12.704 1.00 0.00 H new ATOM 0 HA ALA A 80 7.001 7.571 -15.562 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.533 5.612 -15.532 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.111 5.247 -14.794 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.686 5.513 -13.762 1.00 0.00 H new ATOM 1109 N LYS A 81 4.609 8.386 -15.653 1.00 0.00 N ATOM 1110 CA LYS A 81 3.397 9.187 -15.694 1.00 0.00 C ATOM 1111 C LYS A 81 2.886 9.255 -17.134 1.00 0.00 C ATOM 1112 O LYS A 81 2.384 10.291 -17.569 1.00 0.00 O ATOM 1113 CB LYS A 81 3.641 10.559 -15.062 1.00 0.00 C ATOM 1114 CG LYS A 81 2.444 10.990 -14.212 1.00 0.00 C ATOM 1115 CD LYS A 81 1.817 12.273 -14.761 1.00 0.00 C ATOM 1116 CE LYS A 81 0.633 12.718 -13.898 1.00 0.00 C ATOM 1117 NZ LYS A 81 0.989 13.920 -13.110 1.00 0.00 N ATOM 0 H LYS A 81 4.909 8.019 -16.556 1.00 0.00 H new ATOM 0 HA LYS A 81 2.611 8.722 -15.098 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.538 10.524 -14.443 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.821 11.297 -15.844 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.699 10.194 -14.196 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.763 11.148 -13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.566 13.064 -14.792 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.484 12.109 -15.786 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.227 12.933 -14.533 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.340 11.910 -13.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.175 14.209 -12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.796 13.703 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.247 14.694 -13.755 1.00 0.00 H new ATOM 1127 N SER A 82 3.029 8.140 -17.834 1.00 0.00 N ATOM 1128 CA SER A 82 2.587 8.060 -19.216 1.00 0.00 C ATOM 1129 C SER A 82 1.474 9.079 -19.469 1.00 0.00 C ATOM 1130 O SER A 82 0.490 9.123 -18.733 1.00 0.00 O ATOM 1131 CB SER A 82 2.105 6.650 -19.560 1.00 0.00 C ATOM 1132 OG SER A 82 2.170 6.390 -20.959 1.00 0.00 O ATOM 0 H SER A 82 3.445 7.283 -17.470 1.00 0.00 H new ATOM 0 HA SER A 82 3.435 8.291 -19.860 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.713 5.919 -19.027 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.079 6.524 -19.215 1.00 0.00 H new ATOM 0 HG SER A 82 1.855 5.479 -21.137 1.00 0.00 H new ATOM 1137 N ALA A 83 1.668 9.874 -20.511 1.00 0.00 N ATOM 1138 CA ALA A 83 0.692 10.888 -20.870 1.00 0.00 C ATOM 1139 C ALA A 83 -0.529 10.215 -21.499 1.00 0.00 C ATOM 1140 O ALA A 83 -0.876 10.498 -22.645 1.00 0.00 O ATOM 1141 CB ALA A 83 1.341 11.912 -21.804 1.00 0.00 C ATOM 0 H ALA A 83 2.487 9.836 -21.118 1.00 0.00 H new ATOM 0 HA ALA A 83 0.351 11.424 -19.984 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.609 12.673 -22.074 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.184 12.382 -21.298 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.692 11.411 -22.706 1.00 0.00 H new TER 1147 ALA A 83