USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 10 CYS SG : rot 180:sc= 0.29 USER MOD Set 1.2: A 81 THR OG1 : rot -69:sc= 1.39 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -143:sc= -1.85 (180deg=-4.86!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.53) USER MOD Single : A 33 GLN : amide:sc= -0.0446 X(o=-0.045,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.045) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 54 LYS NZ :NH3+ 141:sc= -0.117 (180deg=-1.01) USER MOD Single : A 56 ASN : amide:sc= -2.27! C(o=-2.3!,f=-7.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -131:sc= 0.828 USER MOD Single : A 62 HIS : no HE2:sc= -5.86! C(o=-5.9!,f=-7.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.595 K(o=-0.59,f=-3.9!) USER MOD Single : A 65 HIS : no HE2:sc= -6.74 K(o=-6.7,f=-11!) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0339) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -100:sc= 1.24 USER MOD Single : A 76 SER OG : rot 180:sc= 0.00364 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.7) USER MOD Single : A 89 SER OG : rot -47:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.948 10.630 -11.746 1.00 0.00 N ATOM 2 CA GLY A 1 -1.115 11.137 -13.136 1.00 0.00 C ATOM 3 C GLY A 1 -0.676 12.580 -13.283 1.00 0.00 C ATOM 4 O GLY A 1 0.173 12.896 -14.116 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.262 9.640 -11.698 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.054 10.689 -11.473 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.519 11.206 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.538 10.513 -13.819 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.161 11.047 -13.429 1.00 0.00 H new ATOM 10 N SER A 2 -1.256 13.459 -12.471 1.00 0.00 N ATOM 11 CA SER A 2 -0.920 14.878 -12.515 1.00 0.00 C ATOM 12 C SER A 2 -0.318 15.334 -11.190 1.00 0.00 C ATOM 13 O SER A 2 -0.485 16.483 -10.783 1.00 0.00 O ATOM 14 CB SER A 2 -2.164 15.709 -12.835 1.00 0.00 C ATOM 15 OG SER A 2 -2.759 15.289 -14.051 1.00 0.00 O ATOM 0 H SER A 2 -1.960 13.214 -11.775 1.00 0.00 H new ATOM 0 HA SER A 2 -0.180 15.027 -13.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.885 15.617 -12.023 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.894 16.763 -12.904 1.00 0.00 H new ATOM 0 HG SER A 2 -3.553 15.834 -14.232 1.00 0.00 H new ATOM 21 N HIS A 3 0.386 14.426 -10.522 1.00 0.00 N ATOM 22 CA HIS A 3 1.015 14.735 -9.241 1.00 0.00 C ATOM 23 C HIS A 3 2.504 14.407 -9.274 1.00 0.00 C ATOM 24 O HIS A 3 2.892 13.264 -9.517 1.00 0.00 O ATOM 25 CB HIS A 3 0.334 13.958 -8.115 1.00 0.00 C ATOM 26 CG HIS A 3 0.393 14.652 -6.788 1.00 0.00 C ATOM 27 ND1 HIS A 3 1.068 14.139 -5.701 1.00 0.00 N ATOM 28 CD2 HIS A 3 -0.142 15.826 -6.377 1.00 0.00 C ATOM 29 CE1 HIS A 3 0.944 14.968 -4.678 1.00 0.00 C ATOM 30 NE2 HIS A 3 0.215 15.997 -5.064 1.00 0.00 N ATOM 0 H HIS A 3 0.536 13.470 -10.846 1.00 0.00 H new ATOM 0 HA HIS A 3 0.901 15.803 -9.056 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.709 13.788 -8.381 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.803 12.978 -8.025 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.739 16.502 -6.972 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.367 14.826 -3.695 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -0.042 16.793 -4.480 1.00 0.00 H new ATOM 39 N MET A 4 3.333 15.416 -9.028 1.00 0.00 N ATOM 40 CA MET A 4 4.779 15.235 -9.029 1.00 0.00 C ATOM 41 C MET A 4 5.284 14.888 -7.631 1.00 0.00 C ATOM 42 O MET A 4 5.519 15.773 -6.809 1.00 0.00 O ATOM 43 CB MET A 4 5.473 16.502 -9.534 1.00 0.00 C ATOM 44 CG MET A 4 5.115 16.860 -10.967 1.00 0.00 C ATOM 45 SD MET A 4 3.668 17.930 -11.076 1.00 0.00 S ATOM 46 CE MET A 4 2.680 17.041 -12.277 1.00 0.00 C ATOM 0 H MET A 4 3.027 16.368 -8.825 1.00 0.00 H new ATOM 0 HA MET A 4 5.016 14.408 -9.698 1.00 0.00 H new ATOM 0 HB2 MET A 4 5.209 17.335 -8.883 1.00 0.00 H new ATOM 0 HB3 MET A 4 6.552 16.369 -9.460 1.00 0.00 H new ATOM 0 HG2 MET A 4 5.965 17.356 -11.436 1.00 0.00 H new ATOM 0 HG3 MET A 4 4.929 15.945 -11.530 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.748 17.579 -12.452 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.232 16.958 -13.213 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.457 16.044 -11.898 1.00 0.00 H new ATOM 56 N GLY A 5 5.449 13.596 -7.372 1.00 0.00 N ATOM 57 CA GLY A 5 5.926 13.155 -6.074 1.00 0.00 C ATOM 58 C GLY A 5 7.310 12.540 -6.140 1.00 0.00 C ATOM 59 O GLY A 5 7.671 11.721 -5.296 1.00 0.00 O ATOM 0 H GLY A 5 5.261 12.846 -8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.941 14.003 -5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.228 12.426 -5.663 1.00 0.00 H new ATOM 63 N LEU A 6 8.085 12.937 -7.146 1.00 0.00 N ATOM 64 CA LEU A 6 9.439 12.423 -7.327 1.00 0.00 C ATOM 65 C LEU A 6 9.425 10.930 -7.643 1.00 0.00 C ATOM 66 O LEU A 6 9.670 10.524 -8.779 1.00 0.00 O ATOM 67 CB LEU A 6 10.286 12.687 -6.078 1.00 0.00 C ATOM 68 CG LEU A 6 10.474 14.164 -5.724 1.00 0.00 C ATOM 69 CD1 LEU A 6 11.398 14.310 -4.524 1.00 0.00 C ATOM 70 CD2 LEU A 6 11.020 14.931 -6.918 1.00 0.00 C ATOM 0 H LEU A 6 7.797 13.616 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 6 9.883 12.947 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.823 12.182 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.268 12.235 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 6 9.503 14.584 -5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.521 15.367 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.966 13.793 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 6 12.370 13.876 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.148 15.980 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.983 14.511 -7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.322 14.852 -7.751 1.00 0.00 H new ATOM 82 N VAL A 7 9.136 10.116 -6.632 1.00 0.00 N ATOM 83 CA VAL A 7 9.091 8.669 -6.806 1.00 0.00 C ATOM 84 C VAL A 7 7.664 8.143 -6.686 1.00 0.00 C ATOM 85 O VAL A 7 7.064 8.183 -5.613 1.00 0.00 O ATOM 86 CB VAL A 7 9.977 7.951 -5.770 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.078 6.468 -6.088 1.00 0.00 C ATOM 88 CG2 VAL A 7 11.358 8.587 -5.718 1.00 0.00 C ATOM 0 H VAL A 7 8.930 10.434 -5.685 1.00 0.00 H new ATOM 0 HA VAL A 7 9.470 8.460 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 7 9.515 8.057 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.708 5.979 -5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.083 6.023 -6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.516 6.337 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.970 8.067 -4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.829 8.514 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.265 9.636 -5.438 1.00 0.00 H new ATOM 98 N GLN A 8 7.128 7.648 -7.797 1.00 0.00 N ATOM 99 CA GLN A 8 5.772 7.109 -7.819 1.00 0.00 C ATOM 100 C GLN A 8 5.773 5.662 -8.298 1.00 0.00 C ATOM 101 O GLN A 8 6.413 5.329 -9.295 1.00 0.00 O ATOM 102 CB GLN A 8 4.877 7.959 -8.724 1.00 0.00 C ATOM 103 CG GLN A 8 3.391 7.730 -8.497 1.00 0.00 C ATOM 104 CD GLN A 8 2.793 8.718 -7.516 1.00 0.00 C ATOM 105 OE1 GLN A 8 2.651 9.904 -7.819 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.437 8.234 -6.331 1.00 0.00 N ATOM 0 H GLN A 8 7.612 7.609 -8.694 1.00 0.00 H new ATOM 0 HA GLN A 8 5.378 7.137 -6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.103 9.012 -8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.115 7.741 -9.765 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.866 7.806 -9.449 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.236 6.717 -8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.573 7.245 -6.122 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.028 8.852 -5.630 1.00 0.00 H new ATOM 115 N ARG A 9 5.055 4.804 -7.583 1.00 0.00 N ATOM 116 CA ARG A 9 4.977 3.392 -7.936 1.00 0.00 C ATOM 117 C ARG A 9 3.626 2.802 -7.549 1.00 0.00 C ATOM 118 O ARG A 9 3.114 3.061 -6.458 1.00 0.00 O ATOM 119 CB ARG A 9 6.103 2.613 -7.252 1.00 0.00 C ATOM 120 CG ARG A 9 6.740 1.555 -8.139 1.00 0.00 C ATOM 121 CD ARG A 9 8.024 2.060 -8.780 1.00 0.00 C ATOM 122 NE ARG A 9 9.171 1.219 -8.446 1.00 0.00 N ATOM 123 CZ ARG A 9 9.841 1.298 -7.298 1.00 0.00 C ATOM 124 NH1 ARG A 9 9.482 2.180 -6.371 1.00 0.00 N ATOM 125 NH2 ARG A 9 10.872 0.496 -7.074 1.00 0.00 N ATOM 0 H ARG A 9 4.518 5.062 -6.755 1.00 0.00 H new ATOM 0 HA ARG A 9 5.088 3.309 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.872 3.314 -6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.709 2.134 -6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.954 0.664 -7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.036 1.260 -8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.901 2.091 -9.863 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.216 3.081 -8.451 1.00 0.00 H new ATOM 0 HE ARG A 9 9.477 0.530 -9.133 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.690 2.801 -6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.999 2.236 -5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.153 -0.183 -7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.384 0.558 -6.194 1.00 0.00 H new ATOM 139 N CYS A 10 3.054 2.006 -8.446 1.00 0.00 N ATOM 140 CA CYS A 10 1.764 1.376 -8.198 1.00 0.00 C ATOM 141 C CYS A 10 1.924 -0.130 -8.012 1.00 0.00 C ATOM 142 O CYS A 10 2.746 -0.762 -8.677 1.00 0.00 O ATOM 143 CB CYS A 10 0.804 1.660 -9.354 1.00 0.00 C ATOM 144 SG CYS A 10 -0.914 1.905 -8.843 1.00 0.00 S ATOM 0 H CYS A 10 3.465 1.782 -9.352 1.00 0.00 H new ATOM 0 HA CYS A 10 1.351 1.796 -7.281 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.144 2.549 -9.885 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.847 0.831 -10.060 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.648 2.141 -9.889 1.00 0.00 H new ATOM 150 N VAL A 11 1.137 -0.699 -7.105 1.00 0.00 N ATOM 151 CA VAL A 11 1.195 -2.130 -6.835 1.00 0.00 C ATOM 152 C VAL A 11 -0.192 -2.697 -6.557 1.00 0.00 C ATOM 153 O VAL A 11 -0.973 -2.112 -5.805 1.00 0.00 O ATOM 154 CB VAL A 11 2.111 -2.439 -5.637 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.564 -2.153 -5.987 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.682 -1.637 -4.417 1.00 0.00 C ATOM 0 H VAL A 11 0.452 -0.191 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 11 1.604 -2.601 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 11 2.021 -3.499 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.196 -2.377 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.864 -2.775 -6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.674 -1.102 -6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.341 -1.868 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.741 -0.572 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.656 -1.896 -4.154 1.00 0.00 H new ATOM 166 N ILE A 12 -0.491 -3.838 -7.166 1.00 0.00 N ATOM 167 CA ILE A 12 -1.783 -4.486 -6.984 1.00 0.00 C ATOM 168 C ILE A 12 -1.708 -5.564 -5.908 1.00 0.00 C ATOM 169 O ILE A 12 -0.977 -6.546 -6.049 1.00 0.00 O ATOM 170 CB ILE A 12 -2.286 -5.119 -8.294 1.00 0.00 C ATOM 171 CG1 ILE A 12 -2.183 -4.115 -9.444 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.719 -5.603 -8.133 1.00 0.00 C ATOM 173 CD1 ILE A 12 -2.258 -4.753 -10.813 1.00 0.00 C ATOM 0 H ILE A 12 0.145 -4.334 -7.791 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.484 -3.711 -6.673 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.658 -5.978 -8.529 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.985 -3.383 -9.349 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.243 -3.571 -9.357 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.060 -6.048 -9.068 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.764 -6.348 -7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.361 -4.760 -7.877 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.178 -3.981 -11.579 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.440 -5.464 -10.928 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.210 -5.274 -10.920 1.00 0.00 H new ATOM 185 N ILE A 13 -2.465 -5.376 -4.832 1.00 0.00 N ATOM 186 CA ILE A 13 -2.481 -6.332 -3.733 1.00 0.00 C ATOM 187 C ILE A 13 -3.489 -7.447 -3.986 1.00 0.00 C ATOM 188 O ILE A 13 -4.657 -7.187 -4.277 1.00 0.00 O ATOM 189 CB ILE A 13 -2.817 -5.647 -2.394 1.00 0.00 C ATOM 190 CG1 ILE A 13 -2.003 -4.362 -2.232 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.556 -6.595 -1.233 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.416 -3.531 -1.037 1.00 0.00 C ATOM 0 H ILE A 13 -3.075 -4.570 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.479 -6.758 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.875 -5.386 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.948 -4.619 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.105 -3.761 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.798 -6.096 -0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.177 -7.484 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.505 -6.885 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.796 -2.636 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.462 -3.243 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.287 -4.115 -0.126 1.00 0.00 H new ATOM 204 N GLN A 14 -3.029 -8.689 -3.876 1.00 0.00 N ATOM 205 CA GLN A 14 -3.889 -9.845 -4.092 1.00 0.00 C ATOM 206 C GLN A 14 -4.317 -10.458 -2.763 1.00 0.00 C ATOM 207 O GLN A 14 -3.487 -10.713 -1.889 1.00 0.00 O ATOM 208 CB GLN A 14 -3.168 -10.893 -4.942 1.00 0.00 C ATOM 209 CG GLN A 14 -2.429 -10.308 -6.135 1.00 0.00 C ATOM 210 CD GLN A 14 -1.397 -11.262 -6.705 1.00 0.00 C ATOM 211 OE1 GLN A 14 -0.195 -11.083 -6.510 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.863 -12.282 -7.417 1.00 0.00 N ATOM 0 H GLN A 14 -2.064 -8.920 -3.638 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.781 -9.510 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.458 -11.431 -4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.895 -11.622 -5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.148 -10.049 -6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.937 -9.383 -5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.868 -12.392 -7.553 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.216 -12.955 -7.827 1.00 0.00 H new ATOM 221 N LYS A 15 -5.617 -10.690 -2.615 1.00 0.00 N ATOM 222 CA LYS A 15 -6.155 -11.273 -1.391 1.00 0.00 C ATOM 223 C LYS A 15 -5.782 -12.749 -1.281 1.00 0.00 C ATOM 224 O LYS A 15 -5.623 -13.437 -2.289 1.00 0.00 O ATOM 225 CB LYS A 15 -7.677 -11.111 -1.352 1.00 0.00 C ATOM 226 CG LYS A 15 -8.180 -10.397 -0.109 1.00 0.00 C ATOM 227 CD LYS A 15 -9.507 -10.970 0.366 1.00 0.00 C ATOM 228 CE LYS A 15 -10.353 -9.914 1.057 1.00 0.00 C ATOM 229 NZ LYS A 15 -9.849 -9.607 2.424 1.00 0.00 N ATOM 0 H LYS A 15 -6.317 -10.483 -3.327 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.719 -10.745 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.998 -10.557 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.141 -12.096 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.440 -10.484 0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.297 -9.334 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.054 -11.377 -0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.323 -11.797 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.357 -9.003 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.385 -10.259 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.654 -9.437 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.292 -10.411 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.249 -8.758 2.390 1.00 0.00 H new ATOM 243 N ASP A 16 -5.645 -13.227 -0.049 1.00 0.00 N ATOM 244 CA ASP A 16 -5.291 -14.621 0.197 1.00 0.00 C ATOM 245 C ASP A 16 -6.351 -15.304 1.056 1.00 0.00 C ATOM 246 O ASP A 16 -7.436 -14.764 1.266 1.00 0.00 O ATOM 247 CB ASP A 16 -3.926 -14.709 0.881 1.00 0.00 C ATOM 248 CG ASP A 16 -2.880 -13.848 0.198 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.875 -12.622 0.435 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.067 -14.400 -0.572 1.00 0.00 O ATOM 0 H ASP A 16 -5.774 -12.670 0.796 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.240 -15.135 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.024 -14.400 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.592 -15.746 0.886 1.00 0.00 H new ATOM 255 N ASP A 17 -6.027 -16.494 1.550 1.00 0.00 N ATOM 256 CA ASP A 17 -6.952 -17.253 2.386 1.00 0.00 C ATOM 257 C ASP A 17 -7.356 -16.449 3.620 1.00 0.00 C ATOM 258 O ASP A 17 -8.461 -16.604 4.141 1.00 0.00 O ATOM 259 CB ASP A 17 -6.318 -18.580 2.811 1.00 0.00 C ATOM 260 CG ASP A 17 -7.211 -19.769 2.511 1.00 0.00 C ATOM 261 OD1 ASP A 17 -7.409 -20.075 1.317 1.00 0.00 O ATOM 262 OD2 ASP A 17 -7.709 -20.393 3.471 1.00 0.00 O ATOM 0 H ASP A 17 -5.132 -16.954 1.387 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.848 -17.458 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.365 -18.706 2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.102 -18.551 3.879 1.00 0.00 H new ATOM 267 N ASN A 18 -6.454 -15.588 4.081 1.00 0.00 N ATOM 268 CA ASN A 18 -6.716 -14.760 5.252 1.00 0.00 C ATOM 269 C ASN A 18 -7.108 -13.345 4.840 1.00 0.00 C ATOM 270 O ASN A 18 -7.946 -12.709 5.480 1.00 0.00 O ATOM 271 CB ASN A 18 -5.485 -14.716 6.159 1.00 0.00 C ATOM 272 CG ASN A 18 -5.276 -16.014 6.914 1.00 0.00 C ATOM 273 OD1 ASN A 18 -6.174 -16.492 7.609 1.00 0.00 O ATOM 274 ND2 ASN A 18 -4.089 -16.591 6.781 1.00 0.00 N ATOM 0 H ASN A 18 -5.535 -15.446 3.661 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.547 -15.204 5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.601 -14.503 5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.591 -13.898 6.871 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.890 -17.467 7.265 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.375 -16.159 6.195 1.00 0.00 H new ATOM 281 N GLY A 19 -6.498 -12.855 3.764 1.00 0.00 N ATOM 282 CA GLY A 19 -6.795 -11.519 3.283 1.00 0.00 C ATOM 283 C GLY A 19 -5.545 -10.696 3.047 1.00 0.00 C ATOM 284 O GLY A 19 -4.559 -11.194 2.501 1.00 0.00 O ATOM 0 H GLY A 19 -5.802 -13.361 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.361 -11.588 2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.431 -11.009 4.007 1.00 0.00 H new ATOM 288 N PHE A 20 -5.582 -9.433 3.459 1.00 0.00 N ATOM 289 CA PHE A 20 -4.444 -8.539 3.288 1.00 0.00 C ATOM 290 C PHE A 20 -3.586 -8.505 4.550 1.00 0.00 C ATOM 291 O PHE A 20 -3.887 -7.781 5.498 1.00 0.00 O ATOM 292 CB PHE A 20 -4.923 -7.127 2.946 1.00 0.00 C ATOM 293 CG PHE A 20 -5.631 -7.038 1.624 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.119 -7.672 0.504 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.808 -6.317 1.502 1.00 0.00 C ATOM 296 CE1 PHE A 20 -5.769 -7.592 -0.712 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.463 -6.232 0.289 1.00 0.00 C ATOM 298 CZ PHE A 20 -6.943 -6.870 -0.821 1.00 0.00 C ATOM 0 H PHE A 20 -6.389 -9.006 3.914 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.837 -8.918 2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.593 -6.779 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.066 -6.454 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.201 -8.235 0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.218 -5.815 2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.360 -8.093 -1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.380 -5.668 0.208 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.452 -6.805 -1.771 1.00 0.00 H new ATOM 308 N GLY A 21 -2.517 -9.294 4.554 1.00 0.00 N ATOM 309 CA GLY A 21 -1.632 -9.338 5.704 1.00 0.00 C ATOM 310 C GLY A 21 -1.027 -7.986 6.023 1.00 0.00 C ATOM 311 O GLY A 21 -0.696 -7.704 7.174 1.00 0.00 O ATOM 0 H GLY A 21 -2.247 -9.904 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.186 -9.698 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.833 -10.055 5.516 1.00 0.00 H new ATOM 315 N LEU A 22 -0.882 -7.148 5.001 1.00 0.00 N ATOM 316 CA LEU A 22 -0.311 -5.819 5.180 1.00 0.00 C ATOM 317 C LEU A 22 -1.195 -4.962 6.080 1.00 0.00 C ATOM 318 O LEU A 22 -2.414 -4.917 5.911 1.00 0.00 O ATOM 319 CB LEU A 22 -0.130 -5.134 3.823 1.00 0.00 C ATOM 320 CG LEU A 22 -1.412 -4.975 3.002 1.00 0.00 C ATOM 321 CD1 LEU A 22 -2.042 -3.614 3.257 1.00 0.00 C ATOM 322 CD2 LEU A 22 -1.123 -5.162 1.520 1.00 0.00 C ATOM 0 H LEU A 22 -1.152 -7.366 4.042 1.00 0.00 H new ATOM 0 HA LEU A 22 0.662 -5.930 5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.304 -4.147 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.590 -5.706 3.237 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.119 -5.744 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.952 -3.518 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.285 -3.518 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.340 -2.829 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.046 -5.046 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.399 -4.415 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.717 -6.159 1.352 1.00 0.00 H new ATOM 334 N THR A 23 -0.573 -4.285 7.039 1.00 0.00 N ATOM 335 CA THR A 23 -1.302 -3.428 7.968 1.00 0.00 C ATOM 336 C THR A 23 -1.131 -1.958 7.603 1.00 0.00 C ATOM 337 O THR A 23 -0.033 -1.515 7.266 1.00 0.00 O ATOM 338 CB THR A 23 -0.822 -3.670 9.400 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.526 -5.039 9.607 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.834 -3.257 10.448 1.00 0.00 C ATOM 0 H THR A 23 0.435 -4.313 7.194 1.00 0.00 H new ATOM 0 HA THR A 23 -2.361 -3.678 7.899 1.00 0.00 H new ATOM 0 HB THR A 23 0.069 -3.052 9.513 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.219 -5.172 10.528 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.431 -3.455 11.441 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.047 -2.193 10.349 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.754 -3.825 10.310 1.00 0.00 H new ATOM 348 N VAL A 24 -2.225 -1.205 7.671 1.00 0.00 N ATOM 349 CA VAL A 24 -2.197 0.215 7.347 1.00 0.00 C ATOM 350 C VAL A 24 -2.910 1.036 8.416 1.00 0.00 C ATOM 351 O VAL A 24 -3.922 0.609 8.969 1.00 0.00 O ATOM 352 CB VAL A 24 -2.854 0.495 5.981 1.00 0.00 C ATOM 353 CG1 VAL A 24 -2.070 -0.176 4.864 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.303 0.033 5.981 1.00 0.00 C ATOM 0 H VAL A 24 -3.142 -1.556 7.948 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.148 0.508 7.304 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.841 1.571 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.549 0.033 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.051 0.210 4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.048 -1.253 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.751 0.239 5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.343 -1.038 6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.855 0.567 6.755 1.00 0.00 H new ATOM 364 N SER A 25 -2.374 2.219 8.703 1.00 0.00 N ATOM 365 CA SER A 25 -2.962 3.100 9.705 1.00 0.00 C ATOM 366 C SER A 25 -2.704 4.564 9.360 1.00 0.00 C ATOM 367 O SER A 25 -1.578 4.948 9.047 1.00 0.00 O ATOM 368 CB SER A 25 -2.394 2.783 11.090 1.00 0.00 C ATOM 369 OG SER A 25 -2.685 3.821 12.011 1.00 0.00 O ATOM 0 H SER A 25 -1.535 2.588 8.256 1.00 0.00 H new ATOM 0 HA SER A 25 -4.039 2.931 9.714 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.812 1.844 11.452 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.315 2.646 11.021 1.00 0.00 H new ATOM 0 HG SER A 25 -2.313 3.594 12.889 1.00 0.00 H new ATOM 375 N GLY A 26 -3.756 5.375 9.422 1.00 0.00 N ATOM 376 CA GLY A 26 -3.619 6.786 9.114 1.00 0.00 C ATOM 377 C GLY A 26 -4.873 7.575 9.437 1.00 0.00 C ATOM 378 O GLY A 26 -5.912 7.391 8.801 1.00 0.00 O ATOM 0 H GLY A 26 -4.698 5.081 9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.780 7.197 9.675 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.383 6.902 8.056 1.00 0.00 H new ATOM 382 N ASP A 27 -4.778 8.455 10.428 1.00 0.00 N ATOM 383 CA ASP A 27 -5.915 9.274 10.834 1.00 0.00 C ATOM 384 C ASP A 27 -6.418 10.121 9.668 1.00 0.00 C ATOM 385 O ASP A 27 -7.596 10.070 9.316 1.00 0.00 O ATOM 386 CB ASP A 27 -5.535 10.176 12.012 1.00 0.00 C ATOM 387 CG ASP A 27 -4.182 10.838 11.829 1.00 0.00 C ATOM 388 OD1 ASP A 27 -3.181 10.109 11.670 1.00 0.00 O ATOM 389 OD2 ASP A 27 -4.125 12.086 11.843 1.00 0.00 O ATOM 0 H ASP A 27 -3.926 8.620 10.965 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.717 8.605 11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.297 10.945 12.136 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.525 9.586 12.928 1.00 0.00 H new ATOM 394 N ASN A 28 -5.518 10.896 9.071 1.00 0.00 N ATOM 395 CA ASN A 28 -5.873 11.750 7.944 1.00 0.00 C ATOM 396 C ASN A 28 -5.497 11.090 6.616 1.00 0.00 C ATOM 397 O ASN A 28 -6.368 10.782 5.804 1.00 0.00 O ATOM 398 CB ASN A 28 -5.190 13.114 8.072 1.00 0.00 C ATOM 399 CG ASN A 28 -6.119 14.175 8.632 1.00 0.00 C ATOM 400 OD1 ASN A 28 -7.283 14.265 8.243 1.00 0.00 O ATOM 401 ND2 ASN A 28 -5.605 14.984 9.550 1.00 0.00 N ATOM 0 H ASN A 28 -4.538 10.950 9.349 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.953 11.896 7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.317 13.021 8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.830 13.430 7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.181 15.717 9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.634 14.872 9.842 1.00 0.00 H new ATOM 408 N PRO A 29 -4.191 10.862 6.372 1.00 0.00 N ATOM 409 CA PRO A 29 -3.721 10.237 5.135 1.00 0.00 C ATOM 410 C PRO A 29 -3.875 8.720 5.159 1.00 0.00 C ATOM 411 O PRO A 29 -4.563 8.168 6.020 1.00 0.00 O ATOM 412 CB PRO A 29 -2.247 10.626 5.098 1.00 0.00 C ATOM 413 CG PRO A 29 -1.850 10.718 6.529 1.00 0.00 C ATOM 414 CD PRO A 29 -3.070 11.193 7.278 1.00 0.00 C ATOM 0 HA PRO A 29 -4.288 10.563 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.653 9.881 4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.100 11.576 4.583 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.517 9.750 6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.020 11.412 6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.170 10.689 8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.023 12.263 7.482 1.00 0.00 H new ATOM 422 N VAL A 30 -3.228 8.048 4.212 1.00 0.00 N ATOM 423 CA VAL A 30 -3.290 6.595 4.127 1.00 0.00 C ATOM 424 C VAL A 30 -1.953 6.015 3.682 1.00 0.00 C ATOM 425 O VAL A 30 -1.542 6.187 2.534 1.00 0.00 O ATOM 426 CB VAL A 30 -4.386 6.135 3.147 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.591 4.630 3.242 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.689 6.874 3.415 1.00 0.00 C ATOM 0 H VAL A 30 -2.654 8.488 3.492 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.529 6.230 5.126 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.062 6.372 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.369 4.324 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.660 4.120 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.891 4.367 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.451 6.535 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.019 6.672 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.532 7.945 3.291 1.00 0.00 H new ATOM 438 N PHE A 31 -1.276 5.329 4.598 1.00 0.00 N ATOM 439 CA PHE A 31 0.018 4.725 4.297 1.00 0.00 C ATOM 440 C PHE A 31 0.132 3.338 4.919 1.00 0.00 C ATOM 441 O PHE A 31 -0.534 3.034 5.909 1.00 0.00 O ATOM 442 CB PHE A 31 1.149 5.619 4.806 1.00 0.00 C ATOM 443 CG PHE A 31 1.135 5.817 6.296 1.00 0.00 C ATOM 444 CD1 PHE A 31 0.231 6.686 6.884 1.00 0.00 C ATOM 445 CD2 PHE A 31 2.024 5.131 7.108 1.00 0.00 C ATOM 446 CE1 PHE A 31 0.214 6.870 8.254 1.00 0.00 C ATOM 447 CE2 PHE A 31 2.012 5.310 8.478 1.00 0.00 C ATOM 448 CZ PHE A 31 1.107 6.180 9.052 1.00 0.00 C ATOM 0 H PHE A 31 -1.601 5.178 5.553 1.00 0.00 H new ATOM 0 HA PHE A 31 0.100 4.624 3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.105 5.183 4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.080 6.591 4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.469 7.227 6.265 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.734 4.449 6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.495 7.551 8.700 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.710 4.769 9.100 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.097 6.321 10.123 1.00 0.00 H new ATOM 458 N VAL A 32 0.980 2.499 4.331 1.00 0.00 N ATOM 459 CA VAL A 32 1.182 1.144 4.826 1.00 0.00 C ATOM 460 C VAL A 32 2.346 1.088 5.811 1.00 0.00 C ATOM 461 O VAL A 32 3.479 1.422 5.467 1.00 0.00 O ATOM 462 CB VAL A 32 1.453 0.157 3.674 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.484 -1.273 4.189 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.406 0.313 2.580 1.00 0.00 C ATOM 0 H VAL A 32 1.538 2.735 3.511 1.00 0.00 H new ATOM 0 HA VAL A 32 0.262 0.853 5.334 1.00 0.00 H new ATOM 0 HB VAL A 32 2.430 0.386 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.677 -1.954 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.274 -1.375 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.524 -1.517 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.613 -0.392 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.583 0.113 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.437 1.330 2.189 1.00 0.00 H new ATOM 474 N GLN A 33 2.055 0.662 7.036 1.00 0.00 N ATOM 475 CA GLN A 33 3.077 0.563 8.072 1.00 0.00 C ATOM 476 C GLN A 33 3.744 -0.809 8.048 1.00 0.00 C ATOM 477 O GLN A 33 4.923 -0.943 8.379 1.00 0.00 O ATOM 478 CB GLN A 33 2.464 0.823 9.449 1.00 0.00 C ATOM 479 CG GLN A 33 3.293 1.752 10.320 1.00 0.00 C ATOM 480 CD GLN A 33 4.064 1.010 11.394 1.00 0.00 C ATOM 481 OE1 GLN A 33 5.295 0.987 11.385 1.00 0.00 O ATOM 482 NE2 GLN A 33 3.342 0.399 12.325 1.00 0.00 N ATOM 0 H GLN A 33 1.121 0.380 7.335 1.00 0.00 H new ATOM 0 HA GLN A 33 3.836 1.319 7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.470 1.251 9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.337 -0.128 9.966 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.992 2.305 9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.637 2.485 10.790 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.324 0.445 12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.806 -0.117 13.073 1.00 0.00 H new ATOM 491 N SER A 34 2.984 -1.824 7.652 1.00 0.00 N ATOM 492 CA SER A 34 3.503 -3.186 7.584 1.00 0.00 C ATOM 493 C SER A 34 2.956 -3.914 6.361 1.00 0.00 C ATOM 494 O SER A 34 1.835 -3.658 5.923 1.00 0.00 O ATOM 495 CB SER A 34 3.140 -3.955 8.855 1.00 0.00 C ATOM 496 OG SER A 34 4.203 -4.801 9.260 1.00 0.00 O ATOM 0 H SER A 34 2.007 -1.730 7.373 1.00 0.00 H new ATOM 0 HA SER A 34 4.588 -3.133 7.498 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.905 -3.252 9.655 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.244 -4.550 8.680 1.00 0.00 H new ATOM 0 HG SER A 34 3.947 -5.280 10.076 1.00 0.00 H new ATOM 502 N VAL A 35 3.756 -4.823 5.813 1.00 0.00 N ATOM 503 CA VAL A 35 3.353 -5.587 4.639 1.00 0.00 C ATOM 504 C VAL A 35 3.722 -7.059 4.791 1.00 0.00 C ATOM 505 O VAL A 35 4.716 -7.397 5.434 1.00 0.00 O ATOM 506 CB VAL A 35 4.004 -5.038 3.357 1.00 0.00 C ATOM 507 CG1 VAL A 35 3.445 -3.664 3.020 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.517 -4.984 3.508 1.00 0.00 C ATOM 0 H VAL A 35 4.687 -5.048 6.164 1.00 0.00 H new ATOM 0 HA VAL A 35 2.270 -5.490 4.556 1.00 0.00 H new ATOM 0 HB VAL A 35 3.768 -5.712 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.917 -3.292 2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.368 -3.737 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.648 -2.977 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.960 -4.593 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.776 -4.333 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.900 -5.987 3.697 1.00 0.00 H new ATOM 518 N LYS A 36 2.915 -7.931 4.196 1.00 0.00 N ATOM 519 CA LYS A 36 3.159 -9.368 4.267 1.00 0.00 C ATOM 520 C LYS A 36 4.502 -9.723 3.639 1.00 0.00 C ATOM 521 O LYS A 36 4.649 -9.725 2.417 1.00 0.00 O ATOM 522 CB LYS A 36 2.035 -10.132 3.562 1.00 0.00 C ATOM 523 CG LYS A 36 1.626 -11.407 4.280 1.00 0.00 C ATOM 524 CD LYS A 36 2.538 -12.569 3.920 1.00 0.00 C ATOM 525 CE LYS A 36 2.865 -13.420 5.135 1.00 0.00 C ATOM 526 NZ LYS A 36 1.638 -13.959 5.783 1.00 0.00 N ATOM 0 H LYS A 36 2.088 -7.669 3.660 1.00 0.00 H new ATOM 0 HA LYS A 36 3.182 -9.656 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.166 -9.481 3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.355 -10.381 2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.652 -11.243 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.597 -11.657 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.059 -13.187 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.461 -12.187 3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.510 -14.246 4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.424 -12.823 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.906 -14.653 6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.109 -13.181 6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.041 -14.421 5.067 1.00 0.00 H new ATOM 540 N GLU A 37 5.483 -10.024 4.486 1.00 0.00 N ATOM 541 CA GLU A 37 6.815 -10.383 4.014 1.00 0.00 C ATOM 542 C GLU A 37 6.830 -11.802 3.457 1.00 0.00 C ATOM 543 O GLU A 37 6.273 -12.722 4.057 1.00 0.00 O ATOM 544 CB GLU A 37 7.832 -10.254 5.154 1.00 0.00 C ATOM 545 CG GLU A 37 8.775 -9.073 4.995 1.00 0.00 C ATOM 546 CD GLU A 37 8.106 -7.748 5.301 1.00 0.00 C ATOM 547 OE1 GLU A 37 7.697 -7.543 6.464 1.00 0.00 O ATOM 548 OE2 GLU A 37 7.990 -6.913 4.378 1.00 0.00 O ATOM 0 H GLU A 37 5.380 -10.026 5.501 1.00 0.00 H new ATOM 0 HA GLU A 37 7.090 -9.697 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.297 -10.157 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.418 -11.171 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.631 -9.205 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.160 -9.055 3.975 1.00 0.00 H new ATOM 555 N ASP A 38 7.472 -11.972 2.306 1.00 0.00 N ATOM 556 CA ASP A 38 7.560 -13.279 1.665 1.00 0.00 C ATOM 557 C ASP A 38 6.176 -13.804 1.293 1.00 0.00 C ATOM 558 O ASP A 38 5.968 -15.012 1.183 1.00 0.00 O ATOM 559 CB ASP A 38 8.262 -14.278 2.588 1.00 0.00 C ATOM 560 CG ASP A 38 9.085 -15.293 1.823 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.775 -15.538 0.637 1.00 0.00 O ATOM 562 OD2 ASP A 38 10.039 -15.848 2.409 1.00 0.00 O ATOM 0 H ASP A 38 7.939 -11.221 1.798 1.00 0.00 H new ATOM 0 HA ASP A 38 8.142 -13.164 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.908 -13.737 3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.517 -14.798 3.190 1.00 0.00 H new ATOM 567 N GLY A 39 5.231 -12.887 1.099 1.00 0.00 N ATOM 568 CA GLY A 39 3.880 -13.281 0.742 1.00 0.00 C ATOM 569 C GLY A 39 3.328 -12.471 -0.415 1.00 0.00 C ATOM 570 O GLY A 39 4.078 -12.020 -1.280 1.00 0.00 O ATOM 0 H GLY A 39 5.377 -11.881 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.871 -14.339 0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.229 -13.162 1.608 1.00 0.00 H new ATOM 574 N ALA A 40 2.011 -12.288 -0.431 1.00 0.00 N ATOM 575 CA ALA A 40 1.359 -11.528 -1.490 1.00 0.00 C ATOM 576 C ALA A 40 1.864 -10.091 -1.523 1.00 0.00 C ATOM 577 O ALA A 40 2.095 -9.528 -2.594 1.00 0.00 O ATOM 578 CB ALA A 40 -0.150 -11.555 -1.303 1.00 0.00 C ATOM 0 H ALA A 40 1.376 -12.656 0.277 1.00 0.00 H new ATOM 0 HA ALA A 40 1.605 -11.994 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.626 -10.984 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.502 -12.586 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.405 -11.115 -0.339 1.00 0.00 H new ATOM 584 N ALA A 41 2.034 -9.501 -0.344 1.00 0.00 N ATOM 585 CA ALA A 41 2.512 -8.127 -0.240 1.00 0.00 C ATOM 586 C ALA A 41 3.906 -7.984 -0.841 1.00 0.00 C ATOM 587 O ALA A 41 4.170 -7.062 -1.613 1.00 0.00 O ATOM 588 CB ALA A 41 2.515 -7.680 1.215 1.00 0.00 C ATOM 0 H ALA A 41 1.848 -9.952 0.552 1.00 0.00 H new ATOM 0 HA ALA A 41 1.834 -7.488 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.874 -6.653 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.503 -7.736 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.171 -8.330 1.794 1.00 0.00 H new ATOM 594 N MET A 42 4.796 -8.906 -0.484 1.00 0.00 N ATOM 595 CA MET A 42 6.164 -8.884 -0.988 1.00 0.00 C ATOM 596 C MET A 42 6.193 -9.131 -2.494 1.00 0.00 C ATOM 597 O MET A 42 6.894 -8.439 -3.234 1.00 0.00 O ATOM 598 CB MET A 42 7.011 -9.937 -0.270 1.00 0.00 C ATOM 599 CG MET A 42 8.429 -9.476 0.030 1.00 0.00 C ATOM 600 SD MET A 42 9.637 -10.805 -0.122 1.00 0.00 S ATOM 601 CE MET A 42 10.703 -10.455 1.274 1.00 0.00 C ATOM 0 H MET A 42 4.593 -9.677 0.152 1.00 0.00 H new ATOM 0 HA MET A 42 6.582 -7.896 -0.792 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.521 -10.210 0.665 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.053 -10.837 -0.883 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.696 -8.668 -0.651 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.468 -9.068 1.040 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.503 -11.194 1.315 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.134 -9.460 1.162 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.122 -10.498 2.195 1.00 0.00 H new ATOM 611 N ARG A 43 5.427 -10.122 -2.939 1.00 0.00 N ATOM 612 CA ARG A 43 5.365 -10.462 -4.356 1.00 0.00 C ATOM 613 C ARG A 43 4.822 -9.295 -5.174 1.00 0.00 C ATOM 614 O ARG A 43 5.217 -9.093 -6.322 1.00 0.00 O ATOM 615 CB ARG A 43 4.486 -11.698 -4.564 1.00 0.00 C ATOM 616 CG ARG A 43 4.761 -12.425 -5.871 1.00 0.00 C ATOM 617 CD ARG A 43 4.329 -13.881 -5.797 1.00 0.00 C ATOM 618 NE ARG A 43 2.907 -14.046 -6.084 1.00 0.00 N ATOM 619 CZ ARG A 43 2.392 -14.033 -7.311 1.00 0.00 C ATOM 620 NH1 ARG A 43 3.180 -13.869 -8.366 1.00 0.00 N ATOM 621 NH2 ARG A 43 1.086 -14.185 -7.483 1.00 0.00 N ATOM 0 H ARG A 43 4.841 -10.703 -2.339 1.00 0.00 H new ATOM 0 HA ARG A 43 6.377 -10.680 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.641 -12.388 -3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.439 -11.398 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.232 -11.928 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.825 -12.371 -6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.912 -14.468 -6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.546 -14.273 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 43 2.271 -14.179 -5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.185 -13.752 -8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.780 -13.860 -9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.477 -14.312 -6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.691 -14.175 -8.423 1.00 0.00 H new ATOM 635 N ALA A 44 3.912 -8.532 -4.577 1.00 0.00 N ATOM 636 CA ALA A 44 3.313 -7.387 -5.252 1.00 0.00 C ATOM 637 C ALA A 44 4.312 -6.241 -5.403 1.00 0.00 C ATOM 638 O ALA A 44 4.094 -5.318 -6.186 1.00 0.00 O ATOM 639 CB ALA A 44 2.080 -6.918 -4.494 1.00 0.00 C ATOM 0 H ALA A 44 3.574 -8.686 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 44 3.018 -7.704 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.641 -6.062 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.351 -7.727 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.363 -6.628 -3.482 1.00 0.00 H new ATOM 645 N GLY A 45 5.407 -6.304 -4.648 1.00 0.00 N ATOM 646 CA GLY A 45 6.414 -5.262 -4.719 1.00 0.00 C ATOM 647 C GLY A 45 6.106 -4.093 -3.805 1.00 0.00 C ATOM 648 O GLY A 45 6.447 -2.950 -4.110 1.00 0.00 O ATOM 0 H GLY A 45 5.613 -7.056 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.385 -5.681 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.491 -4.905 -5.746 1.00 0.00 H new ATOM 652 N VAL A 46 5.459 -4.380 -2.680 1.00 0.00 N ATOM 653 CA VAL A 46 5.105 -3.345 -1.717 1.00 0.00 C ATOM 654 C VAL A 46 6.282 -3.016 -0.805 1.00 0.00 C ATOM 655 O VAL A 46 7.190 -3.830 -0.631 1.00 0.00 O ATOM 656 CB VAL A 46 3.904 -3.769 -0.850 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.421 -2.606 0.001 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.779 -4.307 -1.722 1.00 0.00 C ATOM 0 H VAL A 46 5.169 -5.321 -2.413 1.00 0.00 H new ATOM 0 HA VAL A 46 4.834 -2.460 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 46 4.226 -4.567 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.572 -2.926 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.228 -2.274 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.116 -1.784 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.939 -4.601 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.456 -3.533 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.134 -5.173 -2.281 1.00 0.00 H new ATOM 668 N GLN A 47 6.261 -1.821 -0.227 1.00 0.00 N ATOM 669 CA GLN A 47 7.329 -1.385 0.667 1.00 0.00 C ATOM 670 C GLN A 47 6.774 -1.010 2.037 1.00 0.00 C ATOM 671 O GLN A 47 5.664 -0.488 2.147 1.00 0.00 O ATOM 672 CB GLN A 47 8.075 -0.193 0.063 1.00 0.00 C ATOM 673 CG GLN A 47 8.848 -0.536 -1.200 1.00 0.00 C ATOM 674 CD GLN A 47 8.808 0.579 -2.226 1.00 0.00 C ATOM 675 OE1 GLN A 47 8.562 0.341 -3.409 1.00 0.00 O ATOM 676 NE2 GLN A 47 9.051 1.805 -1.778 1.00 0.00 N ATOM 0 H GLN A 47 5.517 -1.136 -0.361 1.00 0.00 H new ATOM 0 HA GLN A 47 8.024 -2.215 0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.359 0.597 -0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.766 0.206 0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.885 -0.750 -0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.436 -1.444 -1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.250 1.956 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.038 2.595 -2.423 1.00 0.00 H new ATOM 685 N THR A 48 7.553 -1.280 3.079 1.00 0.00 N ATOM 686 CA THR A 48 7.141 -0.973 4.443 1.00 0.00 C ATOM 687 C THR A 48 7.226 0.527 4.711 1.00 0.00 C ATOM 688 O THR A 48 8.282 1.138 4.548 1.00 0.00 O ATOM 689 CB THR A 48 8.013 -1.731 5.445 1.00 0.00 C ATOM 690 OG1 THR A 48 8.491 -2.938 4.879 1.00 0.00 O ATOM 691 CG2 THR A 48 7.289 -2.080 6.725 1.00 0.00 C ATOM 0 H THR A 48 8.474 -1.711 3.004 1.00 0.00 H new ATOM 0 HA THR A 48 6.105 -1.289 4.563 1.00 0.00 H new ATOM 0 HB THR A 48 8.833 -1.054 5.685 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.048 -3.408 5.534 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.965 -2.616 7.391 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.950 -1.166 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.429 -2.710 6.497 1.00 0.00 H new ATOM 699 N GLY A 49 6.107 1.115 5.126 1.00 0.00 N ATOM 700 CA GLY A 49 6.078 2.537 5.411 1.00 0.00 C ATOM 701 C GLY A 49 5.884 3.375 4.164 1.00 0.00 C ATOM 702 O GLY A 49 6.422 4.477 4.058 1.00 0.00 O ATOM 0 H GLY A 49 5.221 0.631 5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.272 2.747 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.010 2.826 5.898 1.00 0.00 H new ATOM 706 N ASP A 50 5.112 2.853 3.216 1.00 0.00 N ATOM 707 CA ASP A 50 4.848 3.561 1.969 1.00 0.00 C ATOM 708 C ASP A 50 3.550 4.358 2.063 1.00 0.00 C ATOM 709 O ASP A 50 2.609 3.950 2.743 1.00 0.00 O ATOM 710 CB ASP A 50 4.774 2.573 0.803 1.00 0.00 C ATOM 711 CG ASP A 50 5.588 3.027 -0.393 1.00 0.00 C ATOM 712 OD1 ASP A 50 6.833 3.045 -0.292 1.00 0.00 O ATOM 713 OD2 ASP A 50 4.980 3.366 -1.431 1.00 0.00 O ATOM 0 H ASP A 50 4.658 1.942 3.288 1.00 0.00 H new ATOM 0 HA ASP A 50 5.668 4.257 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.132 1.598 1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.734 2.446 0.504 1.00 0.00 H new ATOM 718 N ARG A 51 3.506 5.493 1.374 1.00 0.00 N ATOM 719 CA ARG A 51 2.322 6.344 1.380 1.00 0.00 C ATOM 720 C ARG A 51 1.380 5.972 0.241 1.00 0.00 C ATOM 721 O ARG A 51 1.821 5.669 -0.867 1.00 0.00 O ATOM 722 CB ARG A 51 2.726 7.816 1.262 1.00 0.00 C ATOM 723 CG ARG A 51 1.697 8.776 1.837 1.00 0.00 C ATOM 724 CD ARG A 51 1.832 10.165 1.233 1.00 0.00 C ATOM 725 NE ARG A 51 0.531 10.757 0.929 1.00 0.00 N ATOM 726 CZ ARG A 51 0.335 12.060 0.739 1.00 0.00 C ATOM 727 NH1 ARG A 51 1.352 12.910 0.819 1.00 0.00 N ATOM 728 NH2 ARG A 51 -0.880 12.514 0.468 1.00 0.00 N ATOM 0 H ARG A 51 4.276 5.845 0.805 1.00 0.00 H new ATOM 0 HA ARG A 51 1.800 6.191 2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.677 7.966 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.888 8.057 0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.694 8.392 1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.818 8.835 2.919 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.372 10.811 1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.427 10.108 0.321 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.274 10.135 0.858 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.289 12.566 1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.196 13.907 0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.665 11.865 0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.031 13.512 0.322 1.00 0.00 H new ATOM 742 N ILE A 52 0.081 5.994 0.523 1.00 0.00 N ATOM 743 CA ILE A 52 -0.923 5.657 -0.479 1.00 0.00 C ATOM 744 C ILE A 52 -1.628 6.908 -0.994 1.00 0.00 C ATOM 745 O ILE A 52 -2.096 7.733 -0.212 1.00 0.00 O ATOM 746 CB ILE A 52 -1.975 4.684 0.084 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.292 3.511 0.791 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.883 4.184 -1.029 1.00 0.00 C ATOM 749 CD1 ILE A 52 -2.237 2.675 1.625 1.00 0.00 C ATOM 0 H ILE A 52 -0.300 6.241 1.436 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.397 5.174 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.586 5.216 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.818 2.873 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.498 3.896 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.621 3.497 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.393 5.030 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.287 3.666 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.684 1.862 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.692 3.299 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.017 2.261 0.986 1.00 0.00 H new ATOM 761 N ILE A 53 -1.701 7.037 -2.314 1.00 0.00 N ATOM 762 CA ILE A 53 -2.350 8.187 -2.932 1.00 0.00 C ATOM 763 C ILE A 53 -3.736 7.820 -3.453 1.00 0.00 C ATOM 764 O ILE A 53 -4.714 8.517 -3.185 1.00 0.00 O ATOM 765 CB ILE A 53 -1.512 8.749 -4.097 1.00 0.00 C ATOM 766 CG1 ILE A 53 -0.048 8.900 -3.676 1.00 0.00 C ATOM 767 CG2 ILE A 53 -2.076 10.084 -4.560 1.00 0.00 C ATOM 768 CD1 ILE A 53 0.143 9.777 -2.457 1.00 0.00 C ATOM 0 H ILE A 53 -1.320 6.361 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.442 8.950 -2.159 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.560 8.048 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.367 7.913 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.519 9.319 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.473 10.468 -5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.104 9.948 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.055 10.794 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.204 9.839 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.241 10.776 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.396 9.348 -1.612 1.00 0.00 H new ATOM 780 N LYS A 54 -3.812 6.722 -4.197 1.00 0.00 N ATOM 781 CA LYS A 54 -5.080 6.263 -4.754 1.00 0.00 C ATOM 782 C LYS A 54 -5.361 4.820 -4.348 1.00 0.00 C ATOM 783 O LYS A 54 -4.452 3.993 -4.288 1.00 0.00 O ATOM 784 CB LYS A 54 -5.065 6.384 -6.278 1.00 0.00 C ATOM 785 CG LYS A 54 -4.526 7.715 -6.779 1.00 0.00 C ATOM 786 CD LYS A 54 -5.337 8.242 -7.954 1.00 0.00 C ATOM 787 CE LYS A 54 -4.439 8.753 -9.068 1.00 0.00 C ATOM 788 NZ LYS A 54 -3.735 10.007 -8.681 1.00 0.00 N ATOM 0 H LYS A 54 -3.012 6.134 -4.428 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.874 6.894 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.460 5.578 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.079 6.247 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.544 8.443 -5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.485 7.597 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.979 7.450 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.990 9.046 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.705 7.988 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.036 8.933 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.762 9.986 -9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.238 10.825 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.713 10.087 -7.644 1.00 0.00 H new ATOM 802 N VAL A 55 -6.628 4.524 -4.072 1.00 0.00 N ATOM 803 CA VAL A 55 -7.027 3.181 -3.674 1.00 0.00 C ATOM 804 C VAL A 55 -7.940 2.545 -4.718 1.00 0.00 C ATOM 805 O VAL A 55 -9.104 2.921 -4.853 1.00 0.00 O ATOM 806 CB VAL A 55 -7.752 3.190 -2.313 1.00 0.00 C ATOM 807 CG1 VAL A 55 -6.810 3.652 -1.211 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.994 4.070 -2.370 1.00 0.00 C ATOM 0 H VAL A 55 -7.394 5.196 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.113 2.593 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.070 2.173 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.338 3.652 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.958 2.975 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.459 4.660 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.490 4.062 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.706 5.091 -2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.676 3.688 -3.129 1.00 0.00 H new ATOM 818 N ASN A 56 -7.403 1.578 -5.455 1.00 0.00 N ATOM 819 CA ASN A 56 -8.166 0.889 -6.488 1.00 0.00 C ATOM 820 C ASN A 56 -8.654 1.868 -7.551 1.00 0.00 C ATOM 821 O ASN A 56 -9.805 1.810 -7.985 1.00 0.00 O ATOM 822 CB ASN A 56 -9.357 0.154 -5.866 1.00 0.00 C ATOM 823 CG ASN A 56 -9.578 -1.213 -6.479 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.775 -1.683 -7.284 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.673 -1.863 -6.101 1.00 0.00 N ATOM 0 H ASN A 56 -6.441 1.254 -5.355 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.509 0.163 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.194 0.046 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.257 0.755 -5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.874 -2.788 -6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.313 -1.437 -5.431 1.00 0.00 H new ATOM 832 N GLY A 57 -7.770 2.769 -7.967 1.00 0.00 N ATOM 833 CA GLY A 57 -8.128 3.748 -8.976 1.00 0.00 C ATOM 834 C GLY A 57 -9.101 4.788 -8.456 1.00 0.00 C ATOM 835 O GLY A 57 -9.887 5.349 -9.220 1.00 0.00 O ATOM 0 H GLY A 57 -6.812 2.838 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.226 4.245 -9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.569 3.238 -9.832 1.00 0.00 H new ATOM 839 N THR A 58 -9.050 5.044 -7.153 1.00 0.00 N ATOM 840 CA THR A 58 -9.933 6.023 -6.532 1.00 0.00 C ATOM 841 C THR A 58 -9.167 6.903 -5.550 1.00 0.00 C ATOM 842 O THR A 58 -8.680 6.426 -4.525 1.00 0.00 O ATOM 843 CB THR A 58 -11.084 5.317 -5.811 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.639 4.301 -6.629 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.206 6.252 -5.415 1.00 0.00 C ATOM 0 H THR A 58 -8.406 4.587 -6.507 1.00 0.00 H new ATOM 0 HA THR A 58 -10.340 6.658 -7.319 1.00 0.00 H new ATOM 0 HB THR A 58 -10.645 4.899 -4.905 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.372 3.860 -6.151 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.989 5.687 -4.909 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.820 7.019 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.618 6.724 -6.307 1.00 0.00 H new ATOM 853 N LEU A 59 -9.064 8.188 -5.870 1.00 0.00 N ATOM 854 CA LEU A 59 -8.356 9.134 -5.015 1.00 0.00 C ATOM 855 C LEU A 59 -9.204 9.511 -3.805 1.00 0.00 C ATOM 856 O LEU A 59 -9.829 10.572 -3.779 1.00 0.00 O ATOM 857 CB LEU A 59 -7.985 10.390 -5.805 1.00 0.00 C ATOM 858 CG LEU A 59 -6.745 11.128 -5.301 1.00 0.00 C ATOM 859 CD1 LEU A 59 -5.956 11.709 -6.465 1.00 0.00 C ATOM 860 CD2 LEU A 59 -7.139 12.225 -4.322 1.00 0.00 C ATOM 0 H LEU A 59 -9.462 8.599 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.443 8.654 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.825 10.112 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.831 11.077 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.109 10.413 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.077 12.230 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.641 10.904 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.583 12.410 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.244 12.740 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.797 12.937 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.659 11.784 -3.471 1.00 0.00 H new ATOM 872 N VAL A 60 -9.222 8.638 -2.804 1.00 0.00 N ATOM 873 CA VAL A 60 -9.994 8.879 -1.591 1.00 0.00 C ATOM 874 C VAL A 60 -9.201 8.487 -0.348 1.00 0.00 C ATOM 875 O VAL A 60 -8.505 7.473 -0.339 1.00 0.00 O ATOM 876 CB VAL A 60 -11.323 8.100 -1.606 1.00 0.00 C ATOM 877 CG1 VAL A 60 -12.267 8.671 -2.653 1.00 0.00 C ATOM 878 CG2 VAL A 60 -11.071 6.620 -1.854 1.00 0.00 C ATOM 0 H VAL A 60 -8.710 7.756 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.209 9.947 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.796 8.206 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -13.200 8.107 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -12.474 9.717 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.805 8.599 -3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.021 6.085 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.575 6.492 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.436 6.221 -1.063 1.00 0.00 H new ATOM 888 N THR A 61 -9.313 9.298 0.699 1.00 0.00 N ATOM 889 CA THR A 61 -8.605 9.037 1.948 1.00 0.00 C ATOM 890 C THR A 61 -9.575 8.617 3.050 1.00 0.00 C ATOM 891 O THR A 61 -9.188 7.935 3.999 1.00 0.00 O ATOM 892 CB THR A 61 -7.827 10.279 2.384 1.00 0.00 C ATOM 893 OG1 THR A 61 -7.054 10.005 3.539 1.00 0.00 O ATOM 894 CG2 THR A 61 -8.715 11.464 2.696 1.00 0.00 C ATOM 0 H THR A 61 -9.887 10.141 0.708 1.00 0.00 H new ATOM 0 HA THR A 61 -7.906 8.219 1.776 1.00 0.00 H new ATOM 0 HB THR A 61 -7.193 10.536 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.208 10.703 4.209 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.099 12.311 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.289 11.732 1.809 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.397 11.204 3.505 1.00 0.00 H new ATOM 902 N HIS A 62 -10.832 9.029 2.919 1.00 0.00 N ATOM 903 CA HIS A 62 -11.854 8.694 3.906 1.00 0.00 C ATOM 904 C HIS A 62 -11.499 9.275 5.271 1.00 0.00 C ATOM 905 O HIS A 62 -10.458 9.912 5.435 1.00 0.00 O ATOM 906 CB HIS A 62 -12.019 7.177 4.009 1.00 0.00 C ATOM 907 CG HIS A 62 -12.685 6.566 2.816 1.00 0.00 C ATOM 908 ND1 HIS A 62 -13.931 5.978 2.868 1.00 0.00 N ATOM 909 CD2 HIS A 62 -12.271 6.454 1.530 1.00 0.00 C ATOM 910 CE1 HIS A 62 -14.256 5.531 1.668 1.00 0.00 C ATOM 911 NE2 HIS A 62 -13.266 5.807 0.839 1.00 0.00 N ATOM 0 H HIS A 62 -11.168 9.595 2.140 1.00 0.00 H new ATOM 0 HA HIS A 62 -12.798 9.130 3.579 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.038 6.721 4.141 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -12.601 6.943 4.900 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -14.512 5.900 3.703 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.334 6.807 1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.175 5.026 1.409 1.00 0.00 H new ATOM 920 N SER A 63 -12.374 9.055 6.248 1.00 0.00 N ATOM 921 CA SER A 63 -12.152 9.561 7.599 1.00 0.00 C ATOM 922 C SER A 63 -11.628 8.461 8.516 1.00 0.00 C ATOM 923 O SER A 63 -10.443 8.429 8.850 1.00 0.00 O ATOM 924 CB SER A 63 -13.449 10.139 8.167 1.00 0.00 C ATOM 925 OG SER A 63 -13.845 11.299 7.458 1.00 0.00 O ATOM 0 H SER A 63 -13.241 8.531 6.130 1.00 0.00 H new ATOM 0 HA SER A 63 -11.402 10.350 7.545 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.239 9.389 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.311 10.382 9.220 1.00 0.00 H new ATOM 0 HG SER A 63 -14.677 11.648 7.840 1.00 0.00 H new ATOM 931 N ASN A 64 -12.518 7.561 8.923 1.00 0.00 N ATOM 932 CA ASN A 64 -12.145 6.461 9.806 1.00 0.00 C ATOM 933 C ASN A 64 -11.350 5.399 9.053 1.00 0.00 C ATOM 934 O ASN A 64 -11.583 5.156 7.870 1.00 0.00 O ATOM 935 CB ASN A 64 -13.393 5.831 10.427 1.00 0.00 C ATOM 936 CG ASN A 64 -14.205 6.827 11.233 1.00 0.00 C ATOM 937 OD1 ASN A 64 -14.273 8.008 10.894 1.00 0.00 O ATOM 938 ND2 ASN A 64 -14.826 6.350 12.306 1.00 0.00 N ATOM 0 H ASN A 64 -13.502 7.572 8.656 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.516 6.866 10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -14.017 5.413 9.637 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.096 5.003 11.071 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.388 6.971 12.888 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.741 5.363 12.548 1.00 0.00 H new ATOM 945 N HIS A 65 -10.410 4.769 9.751 1.00 0.00 N ATOM 946 CA HIS A 65 -9.580 3.730 9.156 1.00 0.00 C ATOM 947 C HIS A 65 -10.428 2.531 8.735 1.00 0.00 C ATOM 948 O HIS A 65 -10.162 1.897 7.712 1.00 0.00 O ATOM 949 CB HIS A 65 -8.497 3.285 10.144 1.00 0.00 C ATOM 950 CG HIS A 65 -7.659 2.147 9.649 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.253 1.105 10.457 1.00 0.00 N ATOM 952 CD2 HIS A 65 -7.152 1.888 8.420 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.534 0.255 9.747 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.459 0.706 8.509 1.00 0.00 N ATOM 0 H HIS A 65 -10.205 4.961 10.731 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.103 4.144 8.268 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.848 4.133 10.364 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.971 2.994 11.082 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -7.474 1.007 11.448 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.271 2.497 7.536 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.084 -0.655 10.117 1.00 0.00 H new ATOM 963 N LEU A 66 -11.448 2.228 9.532 1.00 0.00 N ATOM 964 CA LEU A 66 -12.336 1.106 9.243 1.00 0.00 C ATOM 965 C LEU A 66 -12.928 1.233 7.845 1.00 0.00 C ATOM 966 O LEU A 66 -12.996 0.256 7.099 1.00 0.00 O ATOM 967 CB LEU A 66 -13.457 1.035 10.282 1.00 0.00 C ATOM 968 CG LEU A 66 -13.054 0.428 11.628 1.00 0.00 C ATOM 969 CD1 LEU A 66 -14.259 0.332 12.550 1.00 0.00 C ATOM 970 CD2 LEU A 66 -12.424 -0.941 11.428 1.00 0.00 C ATOM 0 H LEU A 66 -11.680 2.742 10.382 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.751 0.187 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.837 2.042 10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.279 0.451 9.868 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.316 1.081 12.094 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.955 -0.102 13.503 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.668 1.328 12.719 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.019 -0.299 12.090 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.144 -1.357 12.396 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.140 -1.603 10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.536 -0.845 10.803 1.00 0.00 H new ATOM 982 N GLU A 67 -13.347 2.444 7.491 1.00 0.00 N ATOM 983 CA GLU A 67 -13.923 2.694 6.178 1.00 0.00 C ATOM 984 C GLU A 67 -12.896 2.400 5.090 1.00 0.00 C ATOM 985 O GLU A 67 -13.208 1.759 4.086 1.00 0.00 O ATOM 986 CB GLU A 67 -14.402 4.142 6.070 1.00 0.00 C ATOM 987 CG GLU A 67 -15.863 4.329 6.447 1.00 0.00 C ATOM 988 CD GLU A 67 -16.554 5.380 5.599 1.00 0.00 C ATOM 989 OE1 GLU A 67 -16.442 5.309 4.358 1.00 0.00 O ATOM 990 OE2 GLU A 67 -17.205 6.274 6.179 1.00 0.00 O ATOM 0 H GLU A 67 -13.298 3.265 8.095 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.780 2.034 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.786 4.769 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.251 4.491 5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.387 3.379 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.930 4.613 7.497 1.00 0.00 H new ATOM 997 N VAL A 68 -11.667 2.857 5.306 1.00 0.00 N ATOM 998 CA VAL A 68 -10.593 2.627 4.353 1.00 0.00 C ATOM 999 C VAL A 68 -10.306 1.137 4.238 1.00 0.00 C ATOM 1000 O VAL A 68 -10.201 0.591 3.137 1.00 0.00 O ATOM 1001 CB VAL A 68 -9.300 3.359 4.765 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -8.249 3.251 3.669 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -9.587 4.815 5.099 1.00 0.00 C ATOM 0 H VAL A 68 -11.392 3.388 6.132 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.921 3.020 3.391 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.907 2.879 5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.344 3.774 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.017 2.201 3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.631 3.700 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.660 5.312 5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.009 5.312 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.297 4.866 5.924 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.201 0.479 5.389 1.00 0.00 N ATOM 1014 CA VAL A 69 -9.947 -0.953 5.427 1.00 0.00 C ATOM 1015 C VAL A 69 -11.063 -1.705 4.716 1.00 0.00 C ATOM 1016 O VAL A 69 -10.810 -2.613 3.924 1.00 0.00 O ATOM 1017 CB VAL A 69 -9.829 -1.472 6.873 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -9.418 -2.937 6.884 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -8.841 -0.627 7.666 1.00 0.00 C ATOM 0 H VAL A 69 -10.288 0.917 6.306 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.999 -1.128 4.919 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.806 -1.390 7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.340 -3.285 7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.166 -3.529 6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.453 -3.048 6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.771 -1.009 8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.860 -0.674 7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.183 0.408 7.689 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.303 -1.309 4.995 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.458 -1.937 4.370 1.00 0.00 C ATOM 1031 C LYS A 70 -13.463 -1.656 2.872 1.00 0.00 C ATOM 1032 O LYS A 70 -13.804 -2.524 2.068 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.754 -1.428 5.004 1.00 0.00 C ATOM 1034 CG LYS A 70 -14.960 -1.905 6.434 1.00 0.00 C ATOM 1035 CD LYS A 70 -16.363 -2.453 6.644 1.00 0.00 C ATOM 1036 CE LYS A 70 -16.363 -3.634 7.600 1.00 0.00 C ATOM 1037 NZ LYS A 70 -15.828 -3.267 8.940 1.00 0.00 N ATOM 0 H LYS A 70 -12.530 -0.559 5.648 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.393 -3.014 4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.752 -0.338 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.598 -1.753 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.228 -2.677 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.784 -1.079 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.007 -1.666 7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.782 -2.760 5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.379 -4.014 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.764 -4.441 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.970 -4.059 9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.812 -3.059 8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.328 -2.427 9.295 1.00 0.00 H new ATOM 1051 N LEU A 71 -13.074 -0.439 2.505 1.00 0.00 N ATOM 1052 CA LEU A 71 -13.023 -0.046 1.102 1.00 0.00 C ATOM 1053 C LEU A 71 -11.971 -0.861 0.363 1.00 0.00 C ATOM 1054 O LEU A 71 -12.232 -1.400 -0.713 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.716 1.447 0.975 1.00 0.00 C ATOM 1056 CG LEU A 71 -13.397 2.151 -0.202 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -14.768 2.667 0.206 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -12.528 3.288 -0.715 1.00 0.00 C ATOM 0 H LEU A 71 -12.790 0.291 3.159 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.997 -0.241 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.015 1.944 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.638 1.574 0.880 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.529 1.429 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.237 3.164 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.391 1.832 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.660 3.375 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.026 3.778 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.365 4.011 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.568 2.891 -1.046 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.781 -0.956 0.950 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.696 -1.718 0.345 1.00 0.00 C ATOM 1072 C ILE A 72 -10.017 -3.210 0.354 1.00 0.00 C ATOM 1073 O ILE A 72 -9.782 -3.912 -0.628 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.359 -1.480 1.077 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -8.042 0.016 1.133 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -7.229 -2.240 0.393 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -7.063 0.386 2.227 1.00 0.00 C ATOM 0 H ILE A 72 -10.546 -0.517 1.840 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.595 -1.373 -0.684 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.453 -1.853 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.635 0.329 0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.969 0.570 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.295 -2.059 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.451 -3.307 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.132 -1.898 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.885 1.461 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.476 0.104 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.122 -0.141 2.067 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.560 -3.684 1.472 1.00 0.00 N ATOM 1090 CA LYS A 73 -10.917 -5.092 1.610 1.00 0.00 C ATOM 1091 C LYS A 73 -12.181 -5.423 0.818 1.00 0.00 C ATOM 1092 O LYS A 73 -12.490 -6.591 0.589 1.00 0.00 O ATOM 1093 CB LYS A 73 -11.122 -5.443 3.085 1.00 0.00 C ATOM 1094 CG LYS A 73 -10.801 -6.892 3.414 1.00 0.00 C ATOM 1095 CD LYS A 73 -11.110 -7.214 4.868 1.00 0.00 C ATOM 1096 CE LYS A 73 -10.032 -8.089 5.487 1.00 0.00 C ATOM 1097 NZ LYS A 73 -10.494 -8.737 6.744 1.00 0.00 N ATOM 0 H LYS A 73 -10.762 -3.115 2.294 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.096 -5.686 1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.495 -4.793 3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.157 -5.237 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.377 -7.550 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.748 -7.087 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.199 -6.288 5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.073 -7.721 4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.733 -8.856 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.149 -7.484 5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.729 -9.324 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.755 -8.006 7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.321 -9.335 6.543 1.00 0.00 H new ATOM 1111 N SER A 74 -12.915 -4.389 0.404 1.00 0.00 N ATOM 1112 CA SER A 74 -14.147 -4.574 -0.358 1.00 0.00 C ATOM 1113 C SER A 74 -13.946 -5.553 -1.514 1.00 0.00 C ATOM 1114 O SER A 74 -14.886 -6.226 -1.938 1.00 0.00 O ATOM 1115 CB SER A 74 -14.644 -3.232 -0.894 1.00 0.00 C ATOM 1116 OG SER A 74 -13.920 -2.842 -2.049 1.00 0.00 O ATOM 0 H SER A 74 -12.676 -3.414 0.585 1.00 0.00 H new ATOM 0 HA SER A 74 -14.895 -4.993 0.315 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.705 -3.303 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.542 -2.469 -0.122 1.00 0.00 H new ATOM 0 HG SER A 74 -13.242 -2.179 -1.802 1.00 0.00 H new ATOM 1122 N GLY A 75 -12.720 -5.625 -2.021 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.426 -6.522 -3.123 1.00 0.00 C ATOM 1124 C GLY A 75 -11.118 -7.263 -2.938 1.00 0.00 C ATOM 1125 O GLY A 75 -10.190 -6.753 -2.311 1.00 0.00 O ATOM 0 H GLY A 75 -11.925 -5.079 -1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.237 -7.243 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.388 -5.951 -4.051 1.00 0.00 H new ATOM 1129 N SER A 76 -11.042 -8.473 -3.488 1.00 0.00 N ATOM 1130 CA SER A 76 -9.837 -9.286 -3.382 1.00 0.00 C ATOM 1131 C SER A 76 -8.669 -8.618 -4.099 1.00 0.00 C ATOM 1132 O SER A 76 -7.590 -8.454 -3.530 1.00 0.00 O ATOM 1133 CB SER A 76 -10.083 -10.678 -3.967 1.00 0.00 C ATOM 1134 OG SER A 76 -10.708 -10.594 -5.237 1.00 0.00 O ATOM 0 H SER A 76 -11.801 -8.910 -4.011 1.00 0.00 H new ATOM 0 HA SER A 76 -9.584 -9.384 -2.326 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.136 -11.210 -4.059 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.709 -11.256 -3.287 1.00 0.00 H new ATOM 0 HG SER A 76 -10.853 -11.496 -5.591 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.893 -8.234 -5.351 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.860 -7.580 -6.148 1.00 0.00 C ATOM 1142 C TYR A 77 -8.011 -6.064 -6.083 1.00 0.00 C ATOM 1143 O TYR A 77 -8.984 -5.506 -6.590 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.933 -8.048 -7.601 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.419 -9.455 -7.813 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -6.076 -9.760 -7.626 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -8.276 -10.476 -8.202 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.604 -11.044 -7.821 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -7.810 -11.763 -8.397 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.473 -12.041 -8.205 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.006 -13.320 -8.400 1.00 0.00 O ATOM 0 H TYR A 77 -9.781 -8.364 -5.836 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.888 -7.853 -5.736 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.968 -7.994 -7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.358 -7.363 -8.224 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.391 -8.982 -7.324 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.323 -10.261 -8.355 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.557 -11.265 -7.673 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.490 -12.547 -8.698 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.748 -13.902 -8.667 1.00 0.00 H new ATOM 1161 N VAL A 78 -7.046 -5.402 -5.454 1.00 0.00 N ATOM 1162 CA VAL A 78 -7.078 -3.951 -5.324 1.00 0.00 C ATOM 1163 C VAL A 78 -5.745 -3.328 -5.725 1.00 0.00 C ATOM 1164 O VAL A 78 -4.687 -3.741 -5.252 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.418 -3.524 -3.884 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -7.638 -2.021 -3.809 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -8.641 -4.276 -3.378 1.00 0.00 C ATOM 0 H VAL A 78 -6.233 -5.847 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.857 -3.593 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.574 -3.776 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.877 -1.739 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.732 -1.504 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.463 -1.741 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.866 -3.961 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.494 -4.059 -4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.440 -5.347 -3.391 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.807 -2.327 -6.598 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.609 -1.640 -7.062 1.00 0.00 C ATOM 1179 C ALA A 79 -4.558 -0.216 -6.525 1.00 0.00 C ATOM 1180 O ALA A 79 -5.264 0.667 -7.011 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.559 -1.636 -8.583 1.00 0.00 C ATOM 0 H ALA A 79 -6.676 -1.974 -6.998 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.739 -2.177 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.659 -1.119 -8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.545 -2.663 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.437 -1.123 -8.975 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.722 0.003 -5.515 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.585 1.321 -4.907 1.00 0.00 C ATOM 1189 C LEU A 80 -2.230 1.939 -5.237 1.00 0.00 C ATOM 1190 O LEU A 80 -1.187 1.312 -5.045 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.759 1.227 -3.390 1.00 0.00 C ATOM 1192 CG LEU A 80 -4.841 0.254 -2.921 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -4.289 -1.161 -2.838 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -5.401 0.687 -1.574 1.00 0.00 C ATOM 0 H LEU A 80 -3.129 -0.716 -5.100 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.365 1.963 -5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.808 0.929 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.993 2.219 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.651 0.265 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.074 -1.839 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.937 -1.472 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.460 -1.187 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.170 -0.017 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.599 0.706 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.836 1.683 -1.664 1.00 0.00 H new ATOM 1206 N THR A 81 -2.254 3.172 -5.730 1.00 0.00 N ATOM 1207 CA THR A 81 -1.028 3.878 -6.083 1.00 0.00 C ATOM 1208 C THR A 81 -0.365 4.459 -4.837 1.00 0.00 C ATOM 1209 O THR A 81 -0.970 5.248 -4.113 1.00 0.00 O ATOM 1210 CB THR A 81 -1.327 4.994 -7.084 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.164 4.523 -8.125 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.083 5.574 -7.723 1.00 0.00 C ATOM 0 H THR A 81 -3.109 3.703 -5.894 1.00 0.00 H new ATOM 0 HA THR A 81 -0.343 3.165 -6.542 1.00 0.00 H new ATOM 0 HB THR A 81 -1.818 5.777 -6.506 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.665 3.894 -8.687 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.366 6.361 -8.422 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.563 5.991 -6.950 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.452 4.789 -8.257 1.00 0.00 H new ATOM 1220 N VAL A 82 0.880 4.061 -4.595 1.00 0.00 N ATOM 1221 CA VAL A 82 1.621 4.541 -3.435 1.00 0.00 C ATOM 1222 C VAL A 82 2.790 5.425 -3.853 1.00 0.00 C ATOM 1223 O VAL A 82 3.103 5.540 -5.038 1.00 0.00 O ATOM 1224 CB VAL A 82 2.155 3.370 -2.588 1.00 0.00 C ATOM 1225 CG1 VAL A 82 1.013 2.649 -1.891 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.955 2.408 -3.453 1.00 0.00 C ATOM 0 H VAL A 82 1.396 3.409 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 82 0.924 5.127 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 82 2.819 3.772 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.411 1.825 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.487 3.346 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.321 2.258 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.324 1.587 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.316 2.011 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.798 2.935 -3.899 1.00 0.00 H new ATOM 1236 N GLN A 83 3.434 6.047 -2.871 1.00 0.00 N ATOM 1237 CA GLN A 83 4.571 6.920 -3.133 1.00 0.00 C ATOM 1238 C GLN A 83 5.638 6.763 -2.055 1.00 0.00 C ATOM 1239 O GLN A 83 5.327 6.680 -0.867 1.00 0.00 O ATOM 1240 CB GLN A 83 4.114 8.379 -3.204 1.00 0.00 C ATOM 1241 CG GLN A 83 5.163 9.318 -3.778 1.00 0.00 C ATOM 1242 CD GLN A 83 4.865 10.774 -3.483 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.545 11.408 -2.676 1.00 0.00 O ATOM 1244 NE2 GLN A 83 3.841 11.315 -4.136 1.00 0.00 N ATOM 0 H GLN A 83 3.187 5.962 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 83 5.003 6.633 -4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.212 8.439 -3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.846 8.716 -2.203 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.139 9.060 -3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.223 9.174 -4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.303 10.754 -4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.593 12.291 -3.976 1.00 0.00 H new ATOM 1253 N GLY A 84 6.898 6.724 -2.479 1.00 0.00 N ATOM 1254 CA GLY A 84 7.992 6.576 -1.537 1.00 0.00 C ATOM 1255 C GLY A 84 8.780 7.859 -1.356 1.00 0.00 C ATOM 1256 O GLY A 84 9.573 8.236 -2.217 1.00 0.00 O ATOM 0 H GLY A 84 7.180 6.792 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.596 6.257 -0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.661 5.788 -1.883 1.00 0.00 H new ATOM 1260 N ARG A 85 8.559 8.531 -0.231 1.00 0.00 N ATOM 1261 CA ARG A 85 9.253 9.780 0.062 1.00 0.00 C ATOM 1262 C ARG A 85 9.439 9.960 1.567 1.00 0.00 C ATOM 1263 O ARG A 85 8.572 10.507 2.248 1.00 0.00 O ATOM 1264 CB ARG A 85 8.474 10.968 -0.510 1.00 0.00 C ATOM 1265 CG ARG A 85 9.362 12.094 -1.011 1.00 0.00 C ATOM 1266 CD ARG A 85 9.550 12.030 -2.518 1.00 0.00 C ATOM 1267 NE ARG A 85 10.631 11.123 -2.897 1.00 0.00 N ATOM 1268 CZ ARG A 85 11.914 11.341 -2.616 1.00 0.00 C ATOM 1269 NH1 ARG A 85 12.281 12.432 -1.956 1.00 0.00 N ATOM 1270 NH2 ARG A 85 12.833 10.464 -2.997 1.00 0.00 N ATOM 0 H ARG A 85 7.905 8.232 0.492 1.00 0.00 H new ATOM 0 HA ARG A 85 10.236 9.737 -0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.847 10.619 -1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.806 11.358 0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.922 13.054 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.333 12.038 -0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.621 11.703 -2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.764 13.028 -2.899 1.00 0.00 H new ATOM 0 HE ARG A 85 10.389 10.273 -3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.578 13.110 -1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.266 12.593 -1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.557 9.624 -3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.816 10.630 -2.782 1.00 0.00 H new ATOM 1284 N PRO A 86 10.580 9.496 2.111 1.00 0.00 N ATOM 1285 CA PRO A 86 10.871 9.609 3.544 1.00 0.00 C ATOM 1286 C PRO A 86 10.735 11.042 4.059 1.00 0.00 C ATOM 1287 O PRO A 86 10.145 11.273 5.115 1.00 0.00 O ATOM 1288 CB PRO A 86 12.321 9.131 3.659 1.00 0.00 C ATOM 1289 CG PRO A 86 12.533 8.259 2.469 1.00 0.00 C ATOM 1290 CD PRO A 86 11.670 8.829 1.375 1.00 0.00 C ATOM 0 HA PRO A 86 10.171 9.027 4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.015 9.972 3.662 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.483 8.581 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.582 8.251 2.174 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.255 7.228 2.687 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.223 9.532 0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.290 8.049 0.715 1.00 0.00 H new ATOM 1298 N PRO A 87 11.278 12.032 3.324 1.00 0.00 N ATOM 1299 CA PRO A 87 11.204 13.441 3.726 1.00 0.00 C ATOM 1300 C PRO A 87 9.769 13.956 3.758 1.00 0.00 C ATOM 1301 O PRO A 87 8.820 13.174 3.826 1.00 0.00 O ATOM 1302 CB PRO A 87 12.011 14.178 2.647 1.00 0.00 C ATOM 1303 CG PRO A 87 12.816 13.122 1.967 1.00 0.00 C ATOM 1304 CD PRO A 87 12.001 11.866 2.052 1.00 0.00 C ATOM 0 HA PRO A 87 11.589 13.592 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.353 14.686 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.654 14.940 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.014 13.390 0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.783 12.994 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.318 11.769 1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.630 10.975 2.057 1.00 0.00 H new ATOM 1312 N GLY A 88 9.618 15.276 3.707 1.00 0.00 N ATOM 1313 CA GLY A 88 8.296 15.874 3.730 1.00 0.00 C ATOM 1314 C GLY A 88 8.018 16.709 2.494 1.00 0.00 C ATOM 1315 O GLY A 88 7.535 17.836 2.596 1.00 0.00 O ATOM 0 H GLY A 88 10.388 15.942 3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.546 15.087 3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.198 16.499 4.617 1.00 0.00 H new ATOM 1319 N SER A 89 8.324 16.153 1.326 1.00 0.00 N ATOM 1320 CA SER A 89 8.106 16.852 0.066 1.00 0.00 C ATOM 1321 C SER A 89 8.897 18.155 0.020 1.00 0.00 C ATOM 1322 O SER A 89 8.905 18.805 -1.046 1.00 0.00 O ATOM 1323 CB SER A 89 6.615 17.138 -0.131 1.00 0.00 C ATOM 1324 OG SER A 89 6.228 18.327 0.537 1.00 0.00 O ATOM 1325 OXT SER A 89 9.504 18.514 1.052 1.00 0.00 O ATOM 0 H SER A 89 8.724 15.220 1.227 1.00 0.00 H new ATOM 0 HA SER A 89 8.456 16.209 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.397 17.228 -1.195 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.029 16.299 0.245 1.00 0.00 H new ATOM 0 HG SER A 89 6.593 18.325 1.446 1.00 0.00 H new TER 1331 SER A 89