USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 627 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 47 HIS : no HD1:sc= -0.242 K(o=-2.8,f=-0.99) USER MOD Set 1.2: A 50 GLN : amide:sc= -2.58! K(o=-2.8!,f=-0.72) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 167:sc= 1.04 (180deg=0.0331) USER MOD Set 2.2: A 37 THR OG1 : rot 122:sc= -1.12! USER MOD Single : A 1 LEU N :NH3+ -118:sc= 0.0965 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -59:sc= 0.521 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -3.1 K(o=-0.6,f=-15!) USER MOD Single : A 14 TYR OH : rot 53:sc= 0.215 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0616) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -71:sc= 0.94 USER MOD Single : A 35 GLN : amide:sc= -0.673 K(o=-0.67,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -0.0634 (180deg=-0.324) USER MOD Single : A 42 THR OG1 : rot 53:sc= 0.106 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 20:sc= 0.488 USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.18) USER MOD Single : A 55 HIS : no HD1:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 58 SER OG : rot -170:sc= -2.15 USER MOD Single : A 60 LYS NZ :NH3+ 139:sc= -0.822 (180deg=-2.88!) USER MOD Single : A 67 GLN : amide:sc= -6.93! C(o=-6.9!,f=-11!) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= -0.035 (180deg=-0.268) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -18.109 2.590 -3.190 1.00 0.00 N ATOM 2 CA LEU A 1 -16.752 2.967 -2.740 1.00 0.00 C ATOM 3 C LEU A 1 -16.247 4.167 -3.522 1.00 0.00 C ATOM 4 O LEU A 1 -16.812 4.517 -4.559 1.00 0.00 O ATOM 5 CB LEU A 1 -15.777 1.799 -2.918 1.00 0.00 C ATOM 6 CG LEU A 1 -15.944 0.649 -1.939 1.00 0.00 C ATOM 7 CD1 LEU A 1 -14.993 -0.485 -2.285 1.00 0.00 C ATOM 8 CD2 LEU A 1 -15.716 1.117 -0.509 1.00 0.00 C ATOM 0 H1 LEU A 1 -18.777 2.687 -2.399 1.00 0.00 H new ATOM 0 H2 LEU A 1 -18.402 3.213 -3.969 1.00 0.00 H new ATOM 0 H3 LEU A 1 -18.104 1.604 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 1 -16.810 3.224 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -15.886 1.409 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -14.760 2.182 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 1 -16.967 0.281 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -15.125 -1.301 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -15.205 -0.843 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.965 -0.125 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -15.841 0.276 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -14.706 1.515 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -16.438 1.895 -0.262 1.00 0.00 H new ATOM 22 N PRO A 2 -15.184 4.822 -3.023 1.00 0.00 N ATOM 23 CA PRO A 2 -14.532 5.933 -3.719 1.00 0.00 C ATOM 24 C PRO A 2 -14.004 5.537 -5.096 1.00 0.00 C ATOM 25 O PRO A 2 -14.023 4.356 -5.462 1.00 0.00 O ATOM 26 CB PRO A 2 -13.370 6.301 -2.792 1.00 0.00 C ATOM 27 CG PRO A 2 -13.803 5.825 -1.452 1.00 0.00 C ATOM 28 CD PRO A 2 -14.553 4.552 -1.723 1.00 0.00 C ATOM 0 HA PRO A 2 -15.226 6.752 -3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.444 5.819 -3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.186 7.375 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.948 5.649 -0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.437 6.560 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.887 3.691 -1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.292 4.344 -0.949 1.00 0.00 H new ATOM 36 N ARG A 3 -13.513 6.520 -5.833 1.00 0.00 N ATOM 37 CA ARG A 3 -13.135 6.332 -7.230 1.00 0.00 C ATOM 38 C ARG A 3 -12.159 5.172 -7.425 1.00 0.00 C ATOM 39 O ARG A 3 -12.399 4.290 -8.247 1.00 0.00 O ATOM 40 CB ARG A 3 -12.519 7.620 -7.779 1.00 0.00 C ATOM 41 CG ARG A 3 -11.991 7.477 -9.193 1.00 0.00 C ATOM 42 CD ARG A 3 -11.384 8.771 -9.698 1.00 0.00 C ATOM 43 NE ARG A 3 -10.795 8.605 -11.024 1.00 0.00 N ATOM 44 CZ ARG A 3 -10.560 9.607 -11.868 1.00 0.00 C ATOM 45 NH1 ARG A 3 -10.882 10.855 -11.540 1.00 0.00 N ATOM 46 NH2 ARG A 3 -10.008 9.358 -13.046 1.00 0.00 N ATOM 0 H ARG A 3 -13.365 7.467 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.045 6.086 -7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.268 8.411 -7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.705 7.933 -7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.241 6.687 -9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.802 7.172 -9.855 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.151 9.544 -9.734 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.620 9.112 -9.000 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.548 7.661 -11.322 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.312 11.050 -10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.699 11.617 -12.192 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.765 8.401 -13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.826 10.123 -13.696 1.00 0.00 H new ATOM 60 N ASP A 4 -11.077 5.159 -6.662 1.00 0.00 N ATOM 61 CA ASP A 4 -10.003 4.193 -6.902 1.00 0.00 C ATOM 62 C ASP A 4 -9.882 3.154 -5.797 1.00 0.00 C ATOM 63 O ASP A 4 -8.877 2.450 -5.711 1.00 0.00 O ATOM 64 CB ASP A 4 -8.666 4.907 -7.083 1.00 0.00 C ATOM 65 CG ASP A 4 -8.609 5.705 -8.368 1.00 0.00 C ATOM 66 OD1 ASP A 4 -8.763 6.942 -8.313 1.00 0.00 O ATOM 67 OD2 ASP A 4 -8.426 5.097 -9.441 1.00 0.00 O ATOM 0 H ASP A 4 -10.915 5.794 -5.881 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.267 3.665 -7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.495 5.573 -6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.861 4.172 -7.078 1.00 0.00 H new ATOM 72 N THR A 5 -10.896 3.039 -4.960 1.00 0.00 N ATOM 73 CA THR A 5 -10.843 2.083 -3.867 1.00 0.00 C ATOM 74 C THR A 5 -11.087 0.657 -4.361 1.00 0.00 C ATOM 75 O THR A 5 -10.407 -0.274 -3.935 1.00 0.00 O ATOM 76 CB THR A 5 -11.848 2.440 -2.759 1.00 0.00 C ATOM 77 OG1 THR A 5 -11.535 3.736 -2.236 1.00 0.00 O ATOM 78 CG2 THR A 5 -11.807 1.417 -1.636 1.00 0.00 C ATOM 0 H THR A 5 -11.755 3.586 -5.013 1.00 0.00 H new ATOM 0 HA THR A 5 -9.838 2.134 -3.447 1.00 0.00 H new ATOM 0 HB THR A 5 -12.851 2.440 -3.187 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.623 3.733 -1.878 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.527 1.693 -0.866 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.058 0.433 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.806 1.390 -1.204 1.00 0.00 H new ATOM 86 N SER A 6 -12.030 0.498 -5.282 1.00 0.00 N ATOM 87 CA SER A 6 -12.353 -0.817 -5.826 1.00 0.00 C ATOM 88 C SER A 6 -11.173 -1.374 -6.632 1.00 0.00 C ATOM 89 O SER A 6 -11.030 -2.584 -6.794 1.00 0.00 O ATOM 90 CB SER A 6 -13.617 -0.729 -6.688 1.00 0.00 C ATOM 91 OG SER A 6 -13.951 -1.986 -7.256 1.00 0.00 O ATOM 0 H SER A 6 -12.584 1.262 -5.668 1.00 0.00 H new ATOM 0 HA SER A 6 -12.544 -1.504 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.448 -0.371 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.466 0.001 -7.483 1.00 0.00 H new ATOM 0 HG SER A 6 -14.762 -1.895 -7.798 1.00 0.00 H new ATOM 97 N ARG A 7 -10.332 -0.480 -7.129 1.00 0.00 N ATOM 98 CA ARG A 7 -9.106 -0.868 -7.812 1.00 0.00 C ATOM 99 C ARG A 7 -8.039 -1.243 -6.798 1.00 0.00 C ATOM 100 O ARG A 7 -7.381 -2.274 -6.908 1.00 0.00 O ATOM 101 CB ARG A 7 -8.603 0.293 -8.685 1.00 0.00 C ATOM 102 CG ARG A 7 -7.203 0.084 -9.250 1.00 0.00 C ATOM 103 CD ARG A 7 -6.267 1.236 -8.899 1.00 0.00 C ATOM 104 NE ARG A 7 -6.664 2.505 -9.513 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.880 3.218 -10.328 1.00 0.00 C ATOM 106 NH1 ARG A 7 -4.697 2.748 -10.711 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.285 4.402 -10.759 1.00 0.00 N ATOM 0 H ARG A 7 -10.478 0.528 -7.071 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.315 -1.730 -8.445 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.299 0.440 -9.511 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.612 1.209 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.791 -0.848 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.261 -0.019 -10.334 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.238 1.356 -7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.256 0.985 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.595 2.867 -9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.380 1.836 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.106 3.300 -11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.192 4.767 -10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.690 4.949 -11.381 1.00 0.00 H new ATOM 121 N CYS A 8 -7.896 -0.398 -5.800 1.00 0.00 N ATOM 122 CA CYS A 8 -6.823 -0.512 -4.832 1.00 0.00 C ATOM 123 C CYS A 8 -6.991 -1.722 -3.928 1.00 0.00 C ATOM 124 O CYS A 8 -6.008 -2.358 -3.554 1.00 0.00 O ATOM 125 CB CYS A 8 -6.808 0.733 -3.980 1.00 0.00 C ATOM 126 SG CYS A 8 -5.262 1.002 -3.062 1.00 0.00 S ATOM 0 H CYS A 8 -8.522 0.390 -5.635 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.888 -0.632 -5.379 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.991 1.597 -4.619 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.633 0.681 -3.269 1.00 0.00 H new ATOM 131 N VAL A 9 -8.236 -2.032 -3.586 1.00 0.00 N ATOM 132 CA VAL A 9 -8.541 -3.086 -2.621 1.00 0.00 C ATOM 133 C VAL A 9 -7.870 -4.413 -2.981 1.00 0.00 C ATOM 134 O VAL A 9 -7.364 -5.115 -2.103 1.00 0.00 O ATOM 135 CB VAL A 9 -10.067 -3.275 -2.471 1.00 0.00 C ATOM 136 CG1 VAL A 9 -10.716 -3.489 -3.824 1.00 0.00 C ATOM 137 CG2 VAL A 9 -10.389 -4.424 -1.525 1.00 0.00 C ATOM 0 H VAL A 9 -9.059 -1.564 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.133 -2.764 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.477 -2.363 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.790 -3.620 -3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.529 -2.622 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.296 -4.379 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.470 -4.533 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.961 -5.347 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.966 -4.215 -0.542 1.00 0.00 H new ATOM 147 N GLY A 10 -7.836 -4.744 -4.264 1.00 0.00 N ATOM 148 CA GLY A 10 -7.202 -5.980 -4.678 1.00 0.00 C ATOM 149 C GLY A 10 -5.695 -5.846 -4.768 1.00 0.00 C ATOM 150 O GLY A 10 -4.970 -6.842 -4.741 1.00 0.00 O ATOM 0 H GLY A 10 -8.232 -4.185 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.454 -6.770 -3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.597 -6.282 -5.648 1.00 0.00 H new ATOM 154 N TYR A 11 -5.219 -4.614 -4.871 1.00 0.00 N ATOM 155 CA TYR A 11 -3.803 -4.362 -5.062 1.00 0.00 C ATOM 156 C TYR A 11 -3.085 -4.137 -3.743 1.00 0.00 C ATOM 157 O TYR A 11 -2.210 -4.910 -3.360 1.00 0.00 O ATOM 158 CB TYR A 11 -3.586 -3.156 -5.969 1.00 0.00 C ATOM 159 CG TYR A 11 -3.888 -3.417 -7.425 1.00 0.00 C ATOM 160 CD1 TYR A 11 -4.598 -2.496 -8.180 1.00 0.00 C ATOM 161 CD2 TYR A 11 -3.463 -4.586 -8.043 1.00 0.00 C ATOM 162 CE1 TYR A 11 -4.875 -2.730 -9.511 1.00 0.00 C ATOM 163 CE2 TYR A 11 -3.737 -4.827 -9.372 1.00 0.00 C ATOM 164 CZ TYR A 11 -4.443 -3.896 -10.102 1.00 0.00 C ATOM 165 OH TYR A 11 -4.718 -4.132 -11.431 1.00 0.00 O ATOM 0 H TYR A 11 -5.795 -3.774 -4.825 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.384 -5.251 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.213 -2.335 -5.620 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.551 -2.827 -5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.940 -1.581 -7.719 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.909 -5.317 -7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.428 -2.002 -10.086 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.400 -5.741 -9.839 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.343 -4.998 -11.694 1.00 0.00 H new ATOM 175 N HIS A 12 -3.463 -3.073 -3.046 1.00 0.00 N ATOM 176 CA HIS A 12 -2.703 -2.612 -1.892 1.00 0.00 C ATOM 177 C HIS A 12 -3.544 -2.703 -0.621 1.00 0.00 C ATOM 178 O HIS A 12 -3.202 -2.108 0.399 1.00 0.00 O ATOM 179 CB HIS A 12 -2.215 -1.163 -2.095 1.00 0.00 C ATOM 180 CG HIS A 12 -1.969 -0.776 -3.526 1.00 0.00 C ATOM 181 ND1 HIS A 12 -2.716 0.177 -4.186 1.00 0.00 N ATOM 182 CD2 HIS A 12 -1.068 -1.224 -4.428 1.00 0.00 C ATOM 183 CE1 HIS A 12 -2.286 0.292 -5.426 1.00 0.00 C ATOM 184 NE2 HIS A 12 -1.286 -0.544 -5.595 1.00 0.00 N ATOM 0 H HIS A 12 -4.289 -2.514 -3.259 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.833 -3.260 -1.787 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.954 -0.483 -1.671 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.293 -1.023 -1.532 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -3.483 0.711 -3.777 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.315 -1.979 -4.259 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.687 0.959 -6.175 1.00 0.00 H new ATOM 193 N GLY A 13 -4.641 -3.450 -0.688 1.00 0.00 N ATOM 194 CA GLY A 13 -5.467 -3.667 0.489 1.00 0.00 C ATOM 195 C GLY A 13 -6.690 -2.768 0.533 1.00 0.00 C ATOM 196 O GLY A 13 -6.987 -2.070 -0.433 1.00 0.00 O ATOM 0 H GLY A 13 -4.974 -3.910 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.788 -4.708 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.867 -3.498 1.383 1.00 0.00 H new ATOM 200 N TYR A 14 -7.395 -2.778 1.658 1.00 0.00 N ATOM 201 CA TYR A 14 -8.631 -2.009 1.800 1.00 0.00 C ATOM 202 C TYR A 14 -8.316 -0.578 2.203 1.00 0.00 C ATOM 203 O TYR A 14 -7.156 -0.205 2.296 1.00 0.00 O ATOM 204 CB TYR A 14 -9.561 -2.668 2.825 1.00 0.00 C ATOM 205 CG TYR A 14 -8.918 -2.938 4.167 1.00 0.00 C ATOM 206 CD1 TYR A 14 -8.537 -4.222 4.525 1.00 0.00 C ATOM 207 CD2 TYR A 14 -8.700 -1.911 5.075 1.00 0.00 C ATOM 208 CE1 TYR A 14 -7.957 -4.476 5.750 1.00 0.00 C ATOM 209 CE2 TYR A 14 -8.116 -2.157 6.301 1.00 0.00 C ATOM 210 CZ TYR A 14 -7.748 -3.441 6.634 1.00 0.00 C ATOM 211 OH TYR A 14 -7.170 -3.692 7.856 1.00 0.00 O ATOM 0 H TYR A 14 -7.133 -3.310 2.488 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.143 -1.993 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.430 -2.027 2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.926 -3.609 2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.697 -5.036 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.992 -0.903 4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.668 -5.482 6.015 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.949 -1.347 6.995 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.329 -4.178 7.726 1.00 0.00 H new ATOM 221 N CYS A 15 -9.334 0.223 2.454 1.00 0.00 N ATOM 222 CA CYS A 15 -9.104 1.628 2.736 1.00 0.00 C ATOM 223 C CYS A 15 -9.813 2.092 3.992 1.00 0.00 C ATOM 224 O CYS A 15 -11.017 2.354 3.989 1.00 0.00 O ATOM 225 CB CYS A 15 -9.546 2.484 1.569 1.00 0.00 C ATOM 226 SG CYS A 15 -8.328 3.744 1.083 1.00 0.00 S ATOM 0 H CYS A 15 -10.312 -0.067 2.469 1.00 0.00 H new ATOM 0 HA CYS A 15 -8.032 1.740 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.750 1.840 0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.483 2.978 1.826 1.00 0.00 H new ATOM 231 N ILE A 16 -9.053 2.185 5.059 1.00 0.00 N ATOM 232 CA ILE A 16 -9.540 2.769 6.295 1.00 0.00 C ATOM 233 C ILE A 16 -9.175 4.242 6.318 1.00 0.00 C ATOM 234 O ILE A 16 -8.290 4.677 5.587 1.00 0.00 O ATOM 235 CB ILE A 16 -8.987 2.056 7.541 1.00 0.00 C ATOM 236 CG1 ILE A 16 -7.461 2.119 7.570 1.00 0.00 C ATOM 237 CG2 ILE A 16 -9.486 0.622 7.571 1.00 0.00 C ATOM 238 CD1 ILE A 16 -6.838 1.348 8.716 1.00 0.00 C ATOM 0 H ILE A 16 -8.086 1.862 5.099 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.623 2.648 6.326 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.347 2.565 8.435 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.073 1.729 6.629 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.151 3.162 7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.093 0.118 8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.575 0.616 7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.148 0.100 6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.753 1.440 8.669 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.196 1.752 9.663 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.116 0.297 8.641 1.00 0.00 H new ATOM 250 N ARG A 17 -9.843 4.997 7.163 1.00 0.00 N ATOM 251 CA ARG A 17 -9.761 6.452 7.110 1.00 0.00 C ATOM 252 C ARG A 17 -8.539 6.987 7.856 1.00 0.00 C ATOM 253 O ARG A 17 -8.216 8.169 7.763 1.00 0.00 O ATOM 254 CB ARG A 17 -11.044 7.063 7.682 1.00 0.00 C ATOM 255 CG ARG A 17 -11.131 8.571 7.528 1.00 0.00 C ATOM 256 CD ARG A 17 -12.311 9.130 8.301 1.00 0.00 C ATOM 257 NE ARG A 17 -12.265 8.737 9.708 1.00 0.00 N ATOM 258 CZ ARG A 17 -12.054 9.580 10.717 1.00 0.00 C ATOM 259 NH1 ARG A 17 -11.885 10.875 10.486 1.00 0.00 N ATOM 260 NH2 ARG A 17 -12.010 9.118 11.960 1.00 0.00 N ATOM 0 H ARG A 17 -10.451 4.634 7.897 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.651 6.742 6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.903 6.607 7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.114 6.811 8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.209 9.030 7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.229 8.827 6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.314 10.217 8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.240 8.777 7.854 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.404 7.752 9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.916 11.231 9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.724 11.515 11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.137 8.122 12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.849 9.759 12.737 1.00 0.00 H new ATOM 274 N SER A 18 -7.853 6.131 8.598 1.00 0.00 N ATOM 275 CA SER A 18 -6.699 6.562 9.357 1.00 0.00 C ATOM 276 C SER A 18 -5.542 5.586 9.161 1.00 0.00 C ATOM 277 O SER A 18 -5.731 4.488 8.645 1.00 0.00 O ATOM 278 CB SER A 18 -7.091 6.681 10.828 1.00 0.00 C ATOM 279 OG SER A 18 -8.177 7.580 10.995 1.00 0.00 O ATOM 0 H SER A 18 -8.077 5.140 8.688 1.00 0.00 H new ATOM 0 HA SER A 18 -6.363 7.537 9.005 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.364 5.700 11.216 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.236 7.026 11.409 1.00 0.00 H new ATOM 0 HG SER A 18 -8.410 7.638 11.945 1.00 0.00 H new ATOM 285 N LYS A 19 -4.346 5.993 9.570 1.00 0.00 N ATOM 286 CA LYS A 19 -3.132 5.203 9.340 1.00 0.00 C ATOM 287 C LYS A 19 -2.954 4.158 10.437 1.00 0.00 C ATOM 288 O LYS A 19 -1.856 3.656 10.675 1.00 0.00 O ATOM 289 CB LYS A 19 -1.916 6.127 9.301 1.00 0.00 C ATOM 290 CG LYS A 19 -2.157 7.403 8.513 1.00 0.00 C ATOM 291 CD LYS A 19 -2.310 7.141 7.023 1.00 0.00 C ATOM 292 CE LYS A 19 -2.905 8.347 6.306 1.00 0.00 C ATOM 293 NZ LYS A 19 -3.176 8.072 4.867 1.00 0.00 N ATOM 0 H LYS A 19 -4.186 6.870 10.066 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.227 4.688 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.632 6.386 10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.075 5.591 8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.055 7.894 8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.327 8.090 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.338 6.902 6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.949 6.272 6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.832 8.639 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.220 9.191 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.774 8.828 4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.277 8.036 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.666 7.160 4.774 1.00 0.00 H new ATOM 307 N VAL A 20 -4.056 3.839 11.083 1.00 0.00 N ATOM 308 CA VAL A 20 -4.074 2.930 12.233 1.00 0.00 C ATOM 309 C VAL A 20 -4.133 1.464 11.799 1.00 0.00 C ATOM 310 O VAL A 20 -4.777 0.645 12.455 1.00 0.00 O ATOM 311 CB VAL A 20 -5.273 3.210 13.158 1.00 0.00 C ATOM 312 CG1 VAL A 20 -4.934 2.852 14.597 1.00 0.00 C ATOM 313 CG2 VAL A 20 -5.720 4.656 13.046 1.00 0.00 C ATOM 0 H VAL A 20 -4.976 4.200 10.831 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.144 3.110 12.773 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.104 2.581 12.839 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.794 3.057 15.235 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.680 1.794 14.659 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.085 3.449 14.930 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.568 4.827 13.709 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.899 5.314 13.330 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.015 4.867 12.018 1.00 0.00 H new ATOM 323 N CYS A 21 -3.498 1.149 10.680 1.00 0.00 N ATOM 324 CA CYS A 21 -3.529 -0.199 10.120 1.00 0.00 C ATOM 325 C CYS A 21 -3.177 -1.271 11.160 1.00 0.00 C ATOM 326 O CYS A 21 -2.171 -1.166 11.869 1.00 0.00 O ATOM 327 CB CYS A 21 -2.563 -0.272 8.945 1.00 0.00 C ATOM 328 SG CYS A 21 -2.911 0.958 7.646 1.00 0.00 S ATOM 0 H CYS A 21 -2.949 1.814 10.135 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.547 -0.402 9.787 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.546 -0.126 9.310 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.606 -1.271 8.510 1.00 0.00 H new ATOM 333 N PRO A 22 -4.030 -2.312 11.263 1.00 0.00 N ATOM 334 CA PRO A 22 -3.829 -3.448 12.178 1.00 0.00 C ATOM 335 C PRO A 22 -2.654 -4.328 11.753 1.00 0.00 C ATOM 336 O PRO A 22 -1.903 -3.974 10.853 1.00 0.00 O ATOM 337 CB PRO A 22 -5.145 -4.223 12.083 1.00 0.00 C ATOM 338 CG PRO A 22 -5.692 -3.878 10.745 1.00 0.00 C ATOM 339 CD PRO A 22 -5.274 -2.458 10.480 1.00 0.00 C ATOM 0 HA PRO A 22 -3.589 -3.121 13.190 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.980 -5.296 12.178 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.833 -3.934 12.878 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.302 -4.549 9.979 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.778 -3.974 10.731 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.103 -2.282 9.418 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.036 -1.749 10.802 1.00 0.00 H new ATOM 347 N LYS A 23 -2.469 -5.454 12.423 1.00 0.00 N ATOM 348 CA LYS A 23 -1.364 -6.344 12.112 1.00 0.00 C ATOM 349 C LYS A 23 -1.865 -7.714 11.637 1.00 0.00 C ATOM 350 O LYS A 23 -2.858 -8.231 12.152 1.00 0.00 O ATOM 351 CB LYS A 23 -0.443 -6.454 13.346 1.00 0.00 C ATOM 352 CG LYS A 23 0.110 -7.846 13.642 1.00 0.00 C ATOM 353 CD LYS A 23 -0.863 -8.671 14.472 1.00 0.00 C ATOM 354 CE LYS A 23 -0.270 -10.011 14.879 1.00 0.00 C ATOM 355 NZ LYS A 23 0.089 -10.846 13.704 1.00 0.00 N ATOM 0 H LYS A 23 -3.069 -5.772 13.184 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.787 -5.931 11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.396 -5.772 13.211 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.996 -6.110 14.220 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.318 -8.362 12.705 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.057 -7.756 14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.142 -8.112 15.365 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.776 -8.837 13.901 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.618 -9.843 15.488 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.986 -10.549 15.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.361 -11.797 14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.729 -10.916 13.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.886 -10.410 13.199 1.00 0.00 H new ATOM 369 N PRO A 24 -1.200 -8.309 10.627 1.00 0.00 N ATOM 370 CA PRO A 24 -0.148 -7.643 9.859 1.00 0.00 C ATOM 371 C PRO A 24 -0.712 -6.806 8.711 1.00 0.00 C ATOM 372 O PRO A 24 -1.109 -7.345 7.681 1.00 0.00 O ATOM 373 CB PRO A 24 0.651 -8.816 9.305 1.00 0.00 C ATOM 374 CG PRO A 24 -0.352 -9.904 9.116 1.00 0.00 C ATOM 375 CD PRO A 24 -1.432 -9.685 10.150 1.00 0.00 C ATOM 0 HA PRO A 24 0.431 -6.947 10.465 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.135 -8.556 8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.439 -9.119 9.995 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.769 -9.875 8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.111 -10.883 9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.426 -9.794 9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.357 -10.407 10.963 1.00 0.00 H new ATOM 383 N PHE A 25 -0.722 -5.497 8.870 1.00 0.00 N ATOM 384 CA PHE A 25 -1.208 -4.603 7.827 1.00 0.00 C ATOM 385 C PHE A 25 -0.375 -3.339 7.810 1.00 0.00 C ATOM 386 O PHE A 25 -0.033 -2.796 8.860 1.00 0.00 O ATOM 387 CB PHE A 25 -2.687 -4.239 8.036 1.00 0.00 C ATOM 388 CG PHE A 25 -3.648 -5.351 7.746 1.00 0.00 C ATOM 389 CD1 PHE A 25 -4.412 -5.332 6.595 1.00 0.00 C ATOM 390 CD2 PHE A 25 -3.781 -6.416 8.619 1.00 0.00 C ATOM 391 CE1 PHE A 25 -5.291 -6.355 6.318 1.00 0.00 C ATOM 392 CE2 PHE A 25 -4.659 -7.443 8.348 1.00 0.00 C ATOM 393 CZ PHE A 25 -5.415 -7.410 7.194 1.00 0.00 C ATOM 0 H PHE A 25 -0.399 -5.024 9.714 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.119 -5.123 6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.826 -3.916 9.068 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.932 -3.389 7.400 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.319 -4.506 5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.190 -6.443 9.523 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.882 -6.330 5.415 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.755 -8.270 9.036 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.105 -8.213 6.978 1.00 0.00 H new ATOM 403 N ALA A 26 -0.042 -2.877 6.625 1.00 0.00 N ATOM 404 CA ALA A 26 0.740 -1.667 6.490 1.00 0.00 C ATOM 405 C ALA A 26 -0.045 -0.604 5.746 1.00 0.00 C ATOM 406 O ALA A 26 -0.774 -0.911 4.795 1.00 0.00 O ATOM 407 CB ALA A 26 2.056 -1.946 5.778 1.00 0.00 C ATOM 0 H ALA A 26 -0.300 -3.319 5.743 1.00 0.00 H new ATOM 0 HA ALA A 26 0.964 -1.298 7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.625 -1.021 5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.632 -2.673 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.854 -2.345 4.784 1.00 0.00 H new ATOM 413 N ALA A 27 0.077 0.629 6.223 1.00 0.00 N ATOM 414 CA ALA A 27 -0.470 1.787 5.543 1.00 0.00 C ATOM 415 C ALA A 27 0.200 1.955 4.191 1.00 0.00 C ATOM 416 O ALA A 27 1.263 2.568 4.089 1.00 0.00 O ATOM 417 CB ALA A 27 -0.257 3.030 6.399 1.00 0.00 C ATOM 0 H ALA A 27 0.560 0.850 7.094 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.539 1.645 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.669 3.900 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.760 2.902 7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.810 3.179 6.566 1.00 0.00 H new ATOM 423 N PHE A 28 -0.408 1.402 3.159 1.00 0.00 N ATOM 424 CA PHE A 28 0.163 1.453 1.829 1.00 0.00 C ATOM 425 C PHE A 28 -0.384 2.651 1.073 1.00 0.00 C ATOM 426 O PHE A 28 -1.413 2.561 0.401 1.00 0.00 O ATOM 427 CB PHE A 28 -0.132 0.159 1.065 1.00 0.00 C ATOM 428 CG PHE A 28 1.083 -0.663 0.772 1.00 0.00 C ATOM 429 CD1 PHE A 28 1.235 -1.915 1.334 1.00 0.00 C ATOM 430 CD2 PHE A 28 2.067 -0.185 -0.075 1.00 0.00 C ATOM 431 CE1 PHE A 28 2.347 -2.681 1.059 1.00 0.00 C ATOM 432 CE2 PHE A 28 3.184 -0.943 -0.353 1.00 0.00 C ATOM 433 CZ PHE A 28 3.324 -2.194 0.214 1.00 0.00 C ATOM 0 H PHE A 28 -1.300 0.911 3.218 1.00 0.00 H new ATOM 0 HA PHE A 28 1.244 1.557 1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.834 -0.441 1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.625 0.408 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.473 -2.298 1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.959 0.792 -0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.454 -3.660 1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.948 -0.559 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.197 -2.791 -0.003 1.00 0.00 H new ATOM 443 N GLY A 29 0.303 3.776 1.222 1.00 0.00 N ATOM 444 CA GLY A 29 -0.047 4.976 0.493 1.00 0.00 C ATOM 445 C GLY A 29 -1.498 5.351 0.652 1.00 0.00 C ATOM 446 O GLY A 29 -2.017 5.432 1.765 1.00 0.00 O ATOM 0 H GLY A 29 1.106 3.877 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.577 5.801 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.173 4.831 -0.565 1.00 0.00 H new ATOM 450 N THR A 30 -2.148 5.573 -0.469 1.00 0.00 N ATOM 451 CA THR A 30 -3.557 5.908 -0.490 1.00 0.00 C ATOM 452 C THR A 30 -4.235 5.172 -1.637 1.00 0.00 C ATOM 453 O THR A 30 -3.587 4.857 -2.639 1.00 0.00 O ATOM 454 CB THR A 30 -3.759 7.426 -0.679 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.221 7.833 -1.945 1.00 0.00 O ATOM 456 CG2 THR A 30 -3.083 8.215 0.436 1.00 0.00 C ATOM 0 H THR A 30 -1.716 5.527 -1.392 1.00 0.00 H new ATOM 0 HA THR A 30 -3.995 5.611 0.463 1.00 0.00 H new ATOM 0 HB THR A 30 -4.829 7.632 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.353 8.797 -2.062 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.243 9.281 0.276 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.509 7.925 1.397 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.014 8.004 0.434 1.00 0.00 H new ATOM 464 N CYS A 31 -5.520 4.892 -1.499 1.00 0.00 N ATOM 465 CA CYS A 31 -6.255 4.222 -2.561 1.00 0.00 C ATOM 466 C CYS A 31 -6.863 5.240 -3.522 1.00 0.00 C ATOM 467 O CYS A 31 -6.429 5.370 -4.664 1.00 0.00 O ATOM 468 CB CYS A 31 -7.349 3.324 -1.977 1.00 0.00 C ATOM 469 SG CYS A 31 -8.570 4.190 -0.936 1.00 0.00 S ATOM 0 H CYS A 31 -6.072 5.115 -0.671 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.554 3.598 -3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.874 2.833 -2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.878 2.539 -1.385 1.00 0.00 H new ATOM 474 N SER A 32 -7.862 5.959 -3.044 1.00 0.00 N ATOM 475 CA SER A 32 -8.551 6.950 -3.838 1.00 0.00 C ATOM 476 C SER A 32 -8.225 8.335 -3.302 1.00 0.00 C ATOM 477 O SER A 32 -7.513 9.113 -3.938 1.00 0.00 O ATOM 478 CB SER A 32 -10.058 6.681 -3.791 1.00 0.00 C ATOM 479 OG SER A 32 -10.770 7.481 -4.718 1.00 0.00 O ATOM 0 H SER A 32 -8.216 5.869 -2.092 1.00 0.00 H new ATOM 0 HA SER A 32 -8.225 6.895 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.245 5.628 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.429 6.875 -2.785 1.00 0.00 H new ATOM 0 HG SER A 32 -10.774 8.412 -4.411 1.00 0.00 H new ATOM 485 N TRP A 33 -8.728 8.626 -2.111 1.00 0.00 N ATOM 486 CA TRP A 33 -8.438 9.885 -1.456 1.00 0.00 C ATOM 487 C TRP A 33 -7.179 9.715 -0.620 1.00 0.00 C ATOM 488 O TRP A 33 -6.717 8.593 -0.410 1.00 0.00 O ATOM 489 CB TRP A 33 -9.611 10.324 -0.570 1.00 0.00 C ATOM 490 CG TRP A 33 -10.967 10.056 -1.166 1.00 0.00 C ATOM 491 CD1 TRP A 33 -12.055 9.569 -0.506 1.00 0.00 C ATOM 492 CD2 TRP A 33 -11.380 10.243 -2.531 1.00 0.00 C ATOM 493 NE1 TRP A 33 -13.115 9.438 -1.368 1.00 0.00 N ATOM 494 CE2 TRP A 33 -12.726 9.846 -2.615 1.00 0.00 C ATOM 495 CE3 TRP A 33 -10.745 10.707 -3.689 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -13.446 9.896 -3.805 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -11.463 10.755 -4.868 1.00 0.00 C ATOM 498 CH2 TRP A 33 -12.799 10.352 -4.918 1.00 0.00 C ATOM 0 H TRP A 33 -9.339 8.004 -1.581 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.285 10.659 -2.208 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -9.540 9.811 0.389 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -9.520 11.391 -0.368 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -12.080 9.321 0.545 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -14.042 9.093 -1.120 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -9.712 11.022 -3.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -14.479 9.585 -3.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -10.982 11.111 -5.767 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -13.332 10.402 -5.856 1.00 0.00 H new ATOM 509 N ARG A 34 -6.627 10.819 -0.153 1.00 0.00 N ATOM 510 CA ARG A 34 -5.386 10.784 0.600 1.00 0.00 C ATOM 511 C ARG A 34 -5.658 10.514 2.074 1.00 0.00 C ATOM 512 O ARG A 34 -4.828 9.930 2.775 1.00 0.00 O ATOM 513 CB ARG A 34 -4.627 12.099 0.407 1.00 0.00 C ATOM 514 CG ARG A 34 -3.287 12.158 1.120 1.00 0.00 C ATOM 515 CD ARG A 34 -3.404 12.799 2.492 1.00 0.00 C ATOM 516 NE ARG A 34 -3.813 14.200 2.403 1.00 0.00 N ATOM 517 CZ ARG A 34 -4.188 14.935 3.447 1.00 0.00 C ATOM 518 NH1 ARG A 34 -4.253 14.395 4.656 1.00 0.00 N ATOM 519 NH2 ARG A 34 -4.512 16.211 3.276 1.00 0.00 N ATOM 0 H ARG A 34 -7.018 11.752 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.766 9.969 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.465 12.259 -0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.250 12.920 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.886 11.150 1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.578 12.723 0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.128 12.246 3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.446 12.732 3.008 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.811 14.641 1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.015 13.412 4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.541 14.962 5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.473 16.627 2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.800 16.776 4.075 1.00 0.00 H new ATOM 533 N GLN A 35 -6.819 10.960 2.530 1.00 0.00 N ATOM 534 CA GLN A 35 -7.264 10.716 3.902 1.00 0.00 C ATOM 535 C GLN A 35 -7.227 9.225 4.226 1.00 0.00 C ATOM 536 O GLN A 35 -6.587 8.799 5.192 1.00 0.00 O ATOM 537 CB GLN A 35 -8.688 11.233 4.107 1.00 0.00 C ATOM 538 CG GLN A 35 -8.905 12.667 3.657 1.00 0.00 C ATOM 539 CD GLN A 35 -10.268 13.206 4.054 1.00 0.00 C ATOM 540 OE1 GLN A 35 -10.429 14.401 4.294 1.00 0.00 O ATOM 541 NE2 GLN A 35 -11.256 12.330 4.135 1.00 0.00 N ATOM 0 H GLN A 35 -7.478 11.498 1.967 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.585 11.248 4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.378 10.586 3.565 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.942 11.154 5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.129 13.300 4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.798 12.724 2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.084 11.346 3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.190 12.638 4.404 1.00 0.00 H new ATOM 550 N LYS A 36 -7.912 8.435 3.407 1.00 0.00 N ATOM 551 CA LYS A 36 -7.984 7.000 3.625 1.00 0.00 C ATOM 552 C LYS A 36 -6.735 6.305 3.108 1.00 0.00 C ATOM 553 O LYS A 36 -6.116 6.733 2.130 1.00 0.00 O ATOM 554 CB LYS A 36 -9.243 6.402 2.985 1.00 0.00 C ATOM 555 CG LYS A 36 -9.442 6.769 1.524 1.00 0.00 C ATOM 556 CD LYS A 36 -10.912 6.716 1.137 1.00 0.00 C ATOM 557 CE LYS A 36 -11.508 5.340 1.370 1.00 0.00 C ATOM 558 NZ LYS A 36 -12.919 5.411 1.832 1.00 0.00 N ATOM 0 H LYS A 36 -8.423 8.765 2.589 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.044 6.834 4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.198 5.316 3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.114 6.731 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.051 7.770 1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.873 6.085 0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.467 7.455 1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.021 6.986 0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.458 4.763 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.911 4.808 2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.368 4.480 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.943 5.689 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.435 6.114 1.266 1.00 0.00 H new ATOM 572 N THR A 37 -6.381 5.229 3.777 1.00 0.00 N ATOM 573 CA THR A 37 -5.134 4.538 3.531 1.00 0.00 C ATOM 574 C THR A 37 -5.391 3.146 2.985 1.00 0.00 C ATOM 575 O THR A 37 -6.331 2.475 3.414 1.00 0.00 O ATOM 576 CB THR A 37 -4.351 4.425 4.843 1.00 0.00 C ATOM 577 OG1 THR A 37 -4.438 5.667 5.546 1.00 0.00 O ATOM 578 CG2 THR A 37 -2.898 4.080 4.585 1.00 0.00 C ATOM 0 H THR A 37 -6.952 4.807 4.509 1.00 0.00 H new ATOM 0 HA THR A 37 -4.561 5.104 2.797 1.00 0.00 H new ATOM 0 HB THR A 37 -4.784 3.624 5.442 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.831 5.515 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.367 4.006 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.838 3.126 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.442 4.859 3.974 1.00 0.00 H new ATOM 586 N CYS A 38 -4.560 2.708 2.051 1.00 0.00 N ATOM 587 CA CYS A 38 -4.710 1.387 1.483 1.00 0.00 C ATOM 588 C CYS A 38 -3.954 0.391 2.355 1.00 0.00 C ATOM 589 O CYS A 38 -2.736 0.335 2.331 1.00 0.00 O ATOM 590 CB CYS A 38 -4.179 1.374 0.051 1.00 0.00 C ATOM 591 SG CYS A 38 -5.062 0.246 -1.070 1.00 0.00 S ATOM 0 H CYS A 38 -3.781 3.248 1.675 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.763 1.107 1.453 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.235 2.385 -0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.125 1.096 0.070 1.00 0.00 H new ATOM 596 N CYS A 39 -4.676 -0.360 3.158 1.00 0.00 N ATOM 597 CA CYS A 39 -4.053 -1.259 4.108 1.00 0.00 C ATOM 598 C CYS A 39 -4.227 -2.708 3.690 1.00 0.00 C ATOM 599 O CYS A 39 -5.339 -3.244 3.698 1.00 0.00 O ATOM 600 CB CYS A 39 -4.639 -1.038 5.496 1.00 0.00 C ATOM 601 SG CYS A 39 -4.406 0.653 6.134 1.00 0.00 S ATOM 0 H CYS A 39 -5.696 -0.367 3.173 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.985 -1.042 4.131 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.705 -1.262 5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.182 -1.744 6.189 1.00 0.00 H new ATOM 606 N VAL A 40 -3.122 -3.335 3.327 1.00 0.00 N ATOM 607 CA VAL A 40 -3.137 -4.725 2.893 1.00 0.00 C ATOM 608 C VAL A 40 -2.488 -5.601 3.957 1.00 0.00 C ATOM 609 O VAL A 40 -1.672 -5.115 4.746 1.00 0.00 O ATOM 610 CB VAL A 40 -2.399 -4.895 1.541 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.891 -4.878 1.720 1.00 0.00 C ATOM 612 CG2 VAL A 40 -2.863 -6.154 0.819 1.00 0.00 C ATOM 0 H VAL A 40 -2.198 -2.903 3.324 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.174 -5.031 2.752 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.656 -4.040 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.408 -5.000 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.587 -3.928 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.594 -5.694 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.329 -6.249 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.658 -7.026 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.934 -6.089 0.626 1.00 0.00 H new ATOM 622 N ASP A 41 -2.881 -6.872 4.013 1.00 0.00 N ATOM 623 CA ASP A 41 -2.297 -7.810 4.930 1.00 0.00 C ATOM 624 C ASP A 41 -0.859 -8.095 4.526 1.00 0.00 C ATOM 625 O ASP A 41 -0.565 -8.997 3.738 1.00 0.00 O ATOM 626 CB ASP A 41 -3.144 -9.080 4.970 1.00 0.00 C ATOM 627 CG ASP A 41 -3.344 -9.738 3.617 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.063 -9.163 2.773 1.00 0.00 O ATOM 629 OD2 ASP A 41 -2.814 -10.853 3.406 1.00 0.00 O ATOM 0 H ASP A 41 -3.612 -7.266 3.420 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.279 -7.391 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.673 -9.796 5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.120 -8.839 5.392 1.00 0.00 H new ATOM 634 N THR A 42 0.037 -7.300 5.071 1.00 0.00 N ATOM 635 CA THR A 42 1.410 -7.297 4.637 1.00 0.00 C ATOM 636 C THR A 42 2.205 -8.446 5.247 1.00 0.00 C ATOM 637 O THR A 42 2.882 -8.283 6.264 1.00 0.00 O ATOM 638 CB THR A 42 2.063 -5.951 5.008 1.00 0.00 C ATOM 639 OG1 THR A 42 1.712 -5.597 6.352 1.00 0.00 O ATOM 640 CG2 THR A 42 1.617 -4.849 4.055 1.00 0.00 C ATOM 0 H THR A 42 -0.168 -6.642 5.823 1.00 0.00 H new ATOM 0 HA THR A 42 1.420 -7.432 3.555 1.00 0.00 H new ATOM 0 HB THR A 42 3.145 -6.060 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.924 -6.342 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.091 -3.909 4.338 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.906 -5.109 3.037 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.534 -4.739 4.108 1.00 0.00 H new ATOM 648 N THR A 43 2.119 -9.610 4.612 1.00 0.00 N ATOM 649 CA THR A 43 2.969 -10.731 4.965 1.00 0.00 C ATOM 650 C THR A 43 3.934 -11.076 3.819 1.00 0.00 C ATOM 651 O THR A 43 5.133 -10.863 3.941 1.00 0.00 O ATOM 652 CB THR A 43 2.142 -11.965 5.408 1.00 0.00 C ATOM 653 OG1 THR A 43 2.985 -13.115 5.521 1.00 0.00 O ATOM 654 CG2 THR A 43 0.997 -12.256 4.446 1.00 0.00 C ATOM 0 H THR A 43 1.467 -9.797 3.850 1.00 0.00 H new ATOM 0 HA THR A 43 3.569 -10.429 5.823 1.00 0.00 H new ATOM 0 HB THR A 43 1.711 -11.734 6.382 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.450 -13.886 5.803 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.443 -13.128 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.330 -11.395 4.404 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.398 -12.453 3.452 1.00 0.00 H new ATOM 662 N SER A 44 3.419 -11.649 2.732 1.00 0.00 N ATOM 663 CA SER A 44 4.212 -11.906 1.533 1.00 0.00 C ATOM 664 C SER A 44 3.998 -10.811 0.479 1.00 0.00 C ATOM 665 O SER A 44 4.949 -10.259 -0.078 1.00 0.00 O ATOM 666 CB SER A 44 3.854 -13.271 0.956 1.00 0.00 C ATOM 667 OG SER A 44 4.725 -13.634 -0.102 1.00 0.00 O ATOM 0 H SER A 44 2.446 -11.946 2.659 1.00 0.00 H new ATOM 0 HA SER A 44 5.265 -11.899 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.903 -14.024 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.826 -13.255 0.593 1.00 0.00 H new ATOM 0 HG SER A 44 4.469 -14.514 -0.449 1.00 0.00 H new ATOM 673 N ASP A 45 2.720 -10.517 0.216 1.00 0.00 N ATOM 674 CA ASP A 45 2.305 -9.586 -0.842 1.00 0.00 C ATOM 675 C ASP A 45 2.752 -8.161 -0.552 1.00 0.00 C ATOM 676 O ASP A 45 2.720 -7.303 -1.426 1.00 0.00 O ATOM 677 CB ASP A 45 0.779 -9.603 -0.989 1.00 0.00 C ATOM 678 CG ASP A 45 0.215 -10.998 -1.153 1.00 0.00 C ATOM 679 OD1 ASP A 45 -0.106 -11.387 -2.295 1.00 0.00 O ATOM 680 OD2 ASP A 45 0.095 -11.716 -0.136 1.00 0.00 O ATOM 0 H ASP A 45 1.939 -10.920 0.734 1.00 0.00 H new ATOM 0 HA ASP A 45 2.780 -9.917 -1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.330 -9.137 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.496 -8.999 -1.851 1.00 0.00 H new ATOM 685 N PHE A 46 3.181 -7.931 0.679 1.00 0.00 N ATOM 686 CA PHE A 46 3.577 -6.601 1.158 1.00 0.00 C ATOM 687 C PHE A 46 4.708 -6.008 0.333 1.00 0.00 C ATOM 688 O PHE A 46 4.984 -4.816 0.390 1.00 0.00 O ATOM 689 CB PHE A 46 3.985 -6.673 2.619 1.00 0.00 C ATOM 690 CG PHE A 46 5.314 -7.309 2.862 1.00 0.00 C ATOM 691 CD1 PHE A 46 5.621 -8.493 2.247 1.00 0.00 C ATOM 692 CD2 PHE A 46 6.231 -6.744 3.718 1.00 0.00 C ATOM 693 CE1 PHE A 46 6.821 -9.119 2.462 1.00 0.00 C ATOM 694 CE2 PHE A 46 7.446 -7.357 3.948 1.00 0.00 C ATOM 695 CZ PHE A 46 7.745 -8.552 3.318 1.00 0.00 C ATOM 0 H PHE A 46 3.268 -8.662 1.385 1.00 0.00 H new ATOM 0 HA PHE A 46 2.713 -5.946 1.050 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.000 -5.663 3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.225 -7.229 3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.902 -8.943 1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.998 -5.813 4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.043 -10.051 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.162 -6.905 4.618 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.693 -9.038 3.494 1.00 0.00 H new ATOM 705 N HIS A 47 5.345 -6.869 -0.428 1.00 0.00 N ATOM 706 CA HIS A 47 6.385 -6.502 -1.381 1.00 0.00 C ATOM 707 C HIS A 47 5.888 -5.451 -2.412 1.00 0.00 C ATOM 708 O HIS A 47 6.662 -4.952 -3.221 1.00 0.00 O ATOM 709 CB HIS A 47 6.879 -7.803 -2.040 1.00 0.00 C ATOM 710 CG HIS A 47 7.528 -7.648 -3.373 1.00 0.00 C ATOM 711 ND1 HIS A 47 8.724 -6.999 -3.566 1.00 0.00 N ATOM 712 CD2 HIS A 47 7.112 -8.051 -4.587 1.00 0.00 C ATOM 713 CE1 HIS A 47 9.018 -7.004 -4.848 1.00 0.00 C ATOM 714 NE2 HIS A 47 8.056 -7.639 -5.495 1.00 0.00 N ATOM 0 H HIS A 47 5.154 -7.871 -0.406 1.00 0.00 H new ATOM 0 HA HIS A 47 7.215 -6.012 -0.871 1.00 0.00 H new ATOM 0 HB2 HIS A 47 7.588 -8.284 -1.365 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.031 -8.479 -2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.206 -8.596 -4.806 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.897 -6.564 -5.296 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.021 -7.797 -6.502 1.00 0.00 H new ATOM 723 N THR A 48 4.604 -5.111 -2.327 1.00 0.00 N ATOM 724 CA THR A 48 3.913 -4.160 -3.218 1.00 0.00 C ATOM 725 C THR A 48 4.634 -2.800 -3.424 1.00 0.00 C ATOM 726 O THR A 48 4.220 -2.013 -4.275 1.00 0.00 O ATOM 727 CB THR A 48 2.519 -3.885 -2.627 1.00 0.00 C ATOM 728 OG1 THR A 48 1.823 -5.114 -2.420 1.00 0.00 O ATOM 729 CG2 THR A 48 1.676 -2.988 -3.512 1.00 0.00 C ATOM 0 H THR A 48 3.987 -5.499 -1.613 1.00 0.00 H new ATOM 0 HA THR A 48 3.882 -4.631 -4.201 1.00 0.00 H new ATOM 0 HB THR A 48 2.678 -3.369 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.465 -5.854 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.704 -2.828 -3.046 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.178 -2.030 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.539 -3.461 -4.484 1.00 0.00 H new ATOM 737 N CYS A 49 5.698 -2.529 -2.667 1.00 0.00 N ATOM 738 CA CYS A 49 6.413 -1.238 -2.731 1.00 0.00 C ATOM 739 C CYS A 49 6.527 -0.669 -4.150 1.00 0.00 C ATOM 740 O CYS A 49 6.112 0.464 -4.386 1.00 0.00 O ATOM 741 CB CYS A 49 7.810 -1.355 -2.095 1.00 0.00 C ATOM 742 SG CYS A 49 9.153 -0.541 -3.020 1.00 0.00 S ATOM 0 H CYS A 49 6.092 -3.187 -1.995 1.00 0.00 H new ATOM 0 HA CYS A 49 5.807 -0.534 -2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.772 -0.930 -1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.054 -2.412 -1.985 1.00 0.00 H new ATOM 747 N GLN A 50 7.038 -1.453 -5.098 1.00 0.00 N ATOM 748 CA GLN A 50 7.294 -0.952 -6.449 1.00 0.00 C ATOM 749 C GLN A 50 6.006 -0.499 -7.145 1.00 0.00 C ATOM 750 O GLN A 50 6.035 0.370 -8.014 1.00 0.00 O ATOM 751 CB GLN A 50 8.009 -2.013 -7.304 1.00 0.00 C ATOM 752 CG GLN A 50 7.121 -3.174 -7.751 1.00 0.00 C ATOM 753 CD GLN A 50 6.634 -4.041 -6.607 1.00 0.00 C ATOM 754 OE1 GLN A 50 5.515 -4.550 -6.634 1.00 0.00 O ATOM 755 NE2 GLN A 50 7.478 -4.251 -5.612 1.00 0.00 N ATOM 0 H GLN A 50 7.282 -2.433 -4.957 1.00 0.00 H new ATOM 0 HA GLN A 50 7.944 -0.083 -6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.424 -1.529 -8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.849 -2.413 -6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.259 -2.776 -8.287 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.675 -3.794 -8.455 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.399 -3.812 -5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.209 -4.852 -4.833 1.00 0.00 H new ATOM 764 N ASP A 51 4.879 -1.087 -6.756 1.00 0.00 N ATOM 765 CA ASP A 51 3.591 -0.751 -7.353 1.00 0.00 C ATOM 766 C ASP A 51 3.036 0.529 -6.739 1.00 0.00 C ATOM 767 O ASP A 51 2.390 1.328 -7.413 1.00 0.00 O ATOM 768 CB ASP A 51 2.593 -1.892 -7.150 1.00 0.00 C ATOM 769 CG ASP A 51 1.325 -1.703 -7.960 1.00 0.00 C ATOM 770 OD1 ASP A 51 0.378 -1.070 -7.458 1.00 0.00 O ATOM 771 OD2 ASP A 51 1.267 -2.194 -9.105 1.00 0.00 O ATOM 0 H ASP A 51 4.832 -1.800 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 51 3.742 -0.597 -8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.062 -2.835 -7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.338 -1.964 -6.093 1.00 0.00 H new ATOM 776 N LYS A 52 3.301 0.716 -5.452 1.00 0.00 N ATOM 777 CA LYS A 52 2.815 1.869 -4.722 1.00 0.00 C ATOM 778 C LYS A 52 3.635 3.114 -5.068 1.00 0.00 C ATOM 779 O LYS A 52 3.171 4.248 -4.927 1.00 0.00 O ATOM 780 CB LYS A 52 2.898 1.533 -3.228 1.00 0.00 C ATOM 781 CG LYS A 52 3.534 2.595 -2.356 1.00 0.00 C ATOM 782 CD LYS A 52 2.553 3.713 -2.018 1.00 0.00 C ATOM 783 CE LYS A 52 3.245 4.921 -1.402 1.00 0.00 C ATOM 784 NZ LYS A 52 3.736 4.661 -0.027 1.00 0.00 N ATOM 0 H LYS A 52 3.858 0.072 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 52 1.784 2.094 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.890 1.341 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.461 0.607 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.897 2.139 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.401 3.014 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.029 4.020 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.800 3.336 -1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.084 5.215 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.551 5.761 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.803 5.559 0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.075 4.025 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.675 4.216 -0.072 1.00 0.00 H new ATOM 798 N GLY A 53 4.841 2.888 -5.555 1.00 0.00 N ATOM 799 CA GLY A 53 5.726 3.985 -5.877 1.00 0.00 C ATOM 800 C GLY A 53 6.986 3.957 -5.042 1.00 0.00 C ATOM 801 O GLY A 53 7.586 4.995 -4.769 1.00 0.00 O ATOM 0 H GLY A 53 5.226 1.960 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.990 3.940 -6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.206 4.930 -5.718 1.00 0.00 H new ATOM 805 N GLY A 54 7.375 2.761 -4.618 1.00 0.00 N ATOM 806 CA GLY A 54 8.594 2.596 -3.857 1.00 0.00 C ATOM 807 C GLY A 54 9.817 2.904 -4.688 1.00 0.00 C ATOM 808 O GLY A 54 9.936 2.447 -5.827 1.00 0.00 O ATOM 0 H GLY A 54 6.861 1.897 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.571 3.251 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.655 1.573 -3.485 1.00 0.00 H new ATOM 812 N HIS A 55 10.702 3.715 -4.140 1.00 0.00 N ATOM 813 CA HIS A 55 11.890 4.148 -4.857 1.00 0.00 C ATOM 814 C HIS A 55 13.120 3.381 -4.398 1.00 0.00 C ATOM 815 O HIS A 55 13.058 2.592 -3.459 1.00 0.00 O ATOM 816 CB HIS A 55 12.109 5.649 -4.669 1.00 0.00 C ATOM 817 CG HIS A 55 11.100 6.495 -5.379 1.00 0.00 C ATOM 818 ND1 HIS A 55 11.334 7.079 -6.605 1.00 0.00 N ATOM 819 CD2 HIS A 55 9.848 6.862 -5.023 1.00 0.00 C ATOM 820 CE1 HIS A 55 10.270 7.771 -6.969 1.00 0.00 C ATOM 821 NE2 HIS A 55 9.354 7.655 -6.027 1.00 0.00 N ATOM 0 H HIS A 55 10.621 4.090 -3.195 1.00 0.00 H new ATOM 0 HA HIS A 55 11.734 3.941 -5.916 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.081 5.881 -3.604 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.105 5.910 -5.026 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.333 6.582 -4.116 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.167 8.336 -7.883 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.429 8.085 -6.043 1.00 0.00 H new ATOM 830 N CYS A 56 14.238 3.639 -5.050 1.00 0.00 N ATOM 831 CA CYS A 56 15.490 2.985 -4.718 1.00 0.00 C ATOM 832 C CYS A 56 16.586 4.016 -4.552 1.00 0.00 C ATOM 833 O CYS A 56 16.878 4.780 -5.474 1.00 0.00 O ATOM 834 CB CYS A 56 15.868 1.981 -5.801 1.00 0.00 C ATOM 835 SG CYS A 56 14.827 0.483 -5.803 1.00 0.00 S ATOM 0 H CYS A 56 14.304 4.304 -5.821 1.00 0.00 H new ATOM 0 HA CYS A 56 15.366 2.448 -3.777 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.795 2.465 -6.775 1.00 0.00 H new ATOM 0 HB3 CYS A 56 16.910 1.689 -5.667 1.00 0.00 H new ATOM 840 N VAL A 57 17.181 4.051 -3.372 1.00 0.00 N ATOM 841 CA VAL A 57 18.194 5.046 -3.072 1.00 0.00 C ATOM 842 C VAL A 57 19.446 4.402 -2.493 1.00 0.00 C ATOM 843 O VAL A 57 19.377 3.433 -1.730 1.00 0.00 O ATOM 844 CB VAL A 57 17.657 6.116 -2.097 1.00 0.00 C ATOM 845 CG1 VAL A 57 16.429 6.796 -2.674 1.00 0.00 C ATOM 846 CG2 VAL A 57 17.351 5.521 -0.732 1.00 0.00 C ATOM 0 H VAL A 57 16.981 3.404 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 57 18.455 5.531 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 57 18.437 6.865 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.065 7.547 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.689 7.277 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.650 6.054 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 57 16.975 6.302 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.598 4.740 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.260 5.094 -0.309 1.00 0.00 H new ATOM 856 N SER A 58 20.586 4.936 -2.893 1.00 0.00 N ATOM 857 CA SER A 58 21.874 4.430 -2.469 1.00 0.00 C ATOM 858 C SER A 58 22.193 4.898 -1.049 1.00 0.00 C ATOM 859 O SER A 58 21.558 5.832 -0.561 1.00 0.00 O ATOM 860 CB SER A 58 22.943 4.907 -3.457 1.00 0.00 C ATOM 861 OG SER A 58 22.990 6.319 -3.514 1.00 0.00 O ATOM 0 H SER A 58 20.642 5.736 -3.523 1.00 0.00 H new ATOM 0 HA SER A 58 21.855 3.340 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 58 23.917 4.519 -3.159 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.731 4.507 -4.448 1.00 0.00 H new ATOM 0 HG SER A 58 23.563 6.597 -4.259 1.00 0.00 H new ATOM 867 N PRO A 59 23.139 4.244 -0.353 1.00 0.00 N ATOM 868 CA PRO A 59 23.558 4.646 0.995 1.00 0.00 C ATOM 869 C PRO A 59 23.748 6.159 1.149 1.00 0.00 C ATOM 870 O PRO A 59 23.364 6.742 2.167 1.00 0.00 O ATOM 871 CB PRO A 59 24.896 3.935 1.168 1.00 0.00 C ATOM 872 CG PRO A 59 24.798 2.714 0.319 1.00 0.00 C ATOM 873 CD PRO A 59 23.844 3.030 -0.807 1.00 0.00 C ATOM 0 HA PRO A 59 22.804 4.386 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.724 4.570 0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.073 3.676 2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 59 25.777 2.438 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 59 24.437 1.867 0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 59 24.376 3.204 -1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 59 23.150 2.208 -0.983 1.00 0.00 H new ATOM 881 N LYS A 60 24.331 6.795 0.135 1.00 0.00 N ATOM 882 CA LYS A 60 24.625 8.223 0.191 1.00 0.00 C ATOM 883 C LYS A 60 23.353 9.074 0.169 1.00 0.00 C ATOM 884 O LYS A 60 23.381 10.240 0.565 1.00 0.00 O ATOM 885 CB LYS A 60 25.535 8.633 -0.971 1.00 0.00 C ATOM 886 CG LYS A 60 24.894 8.483 -2.342 1.00 0.00 C ATOM 887 CD LYS A 60 25.812 8.943 -3.469 1.00 0.00 C ATOM 888 CE LYS A 60 25.875 10.464 -3.595 1.00 0.00 C ATOM 889 NZ LYS A 60 26.743 11.098 -2.565 1.00 0.00 N ATOM 0 H LYS A 60 24.609 6.342 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 60 25.136 8.404 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 60 25.836 9.672 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 60 26.443 8.031 -0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 60 24.624 7.439 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.970 9.060 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 60 26.816 8.555 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 60 25.465 8.519 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 60 26.246 10.726 -4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 60 24.867 10.872 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 27.301 11.859 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 26.150 11.494 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 27.385 10.384 -2.165 1.00 0.00 H new ATOM 903 N ILE A 61 22.240 8.493 -0.260 1.00 0.00 N ATOM 904 CA ILE A 61 21.003 9.243 -0.393 1.00 0.00 C ATOM 905 C ILE A 61 20.320 9.368 0.952 1.00 0.00 C ATOM 906 O ILE A 61 20.170 8.387 1.684 1.00 0.00 O ATOM 907 CB ILE A 61 20.020 8.564 -1.362 1.00 0.00 C ATOM 908 CG1 ILE A 61 20.708 8.239 -2.684 1.00 0.00 C ATOM 909 CG2 ILE A 61 18.799 9.444 -1.592 1.00 0.00 C ATOM 910 CD1 ILE A 61 20.959 9.425 -3.583 1.00 0.00 C ATOM 0 H ILE A 61 22.171 7.509 -0.520 1.00 0.00 H new ATOM 0 HA ILE A 61 21.271 10.224 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 61 19.686 7.629 -0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.662 7.756 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 61 20.098 7.515 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.116 8.946 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.293 9.620 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.112 10.397 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.451 9.091 -4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.010 9.898 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.597 10.143 -3.068 1.00 0.00 H new ATOM 922 N ARG A 62 19.907 10.574 1.271 1.00 0.00 N ATOM 923 CA ARG A 62 19.208 10.821 2.515 1.00 0.00 C ATOM 924 C ARG A 62 17.725 10.998 2.248 1.00 0.00 C ATOM 925 O ARG A 62 17.224 12.101 2.024 1.00 0.00 O ATOM 926 CB ARG A 62 19.813 12.017 3.243 1.00 0.00 C ATOM 927 CG ARG A 62 21.239 11.744 3.684 1.00 0.00 C ATOM 928 CD ARG A 62 21.822 12.877 4.507 1.00 0.00 C ATOM 929 NE ARG A 62 23.171 12.555 4.972 1.00 0.00 N ATOM 930 CZ ARG A 62 23.777 13.155 5.994 1.00 0.00 C ATOM 931 NH1 ARG A 62 23.182 14.151 6.640 1.00 0.00 N ATOM 932 NH2 ARG A 62 24.990 12.763 6.365 1.00 0.00 N ATOM 0 H ARG A 62 20.042 11.400 0.688 1.00 0.00 H new ATOM 0 HA ARG A 62 19.324 9.960 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 62 19.795 12.888 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 62 19.203 12.260 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 62 21.265 10.824 4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 62 21.862 11.580 2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 62 21.849 13.788 3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 62 21.178 13.077 5.363 1.00 0.00 H new ATOM 0 HE ARG A 62 23.681 11.822 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 62 22.253 14.462 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 62 23.653 14.605 7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 62 25.455 12.004 5.867 1.00 0.00 H new ATOM 0 HH22 ARG A 62 25.457 13.221 7.148 1.00 0.00 H new ATOM 946 N CYS A 63 17.053 9.869 2.241 1.00 0.00 N ATOM 947 CA CYS A 63 15.630 9.784 1.988 1.00 0.00 C ATOM 948 C CYS A 63 14.997 8.892 3.032 1.00 0.00 C ATOM 949 O CYS A 63 15.691 8.089 3.652 1.00 0.00 O ATOM 950 CB CYS A 63 15.397 9.238 0.579 1.00 0.00 C ATOM 951 SG CYS A 63 13.646 8.964 0.155 1.00 0.00 S ATOM 0 H CYS A 63 17.489 8.963 2.415 1.00 0.00 H new ATOM 0 HA CYS A 63 15.172 10.771 2.051 1.00 0.00 H new ATOM 0 HB2 CYS A 63 15.828 9.933 -0.142 1.00 0.00 H new ATOM 0 HB3 CYS A 63 15.935 8.296 0.475 1.00 0.00 H new ATOM 956 N LEU A 64 13.704 9.052 3.259 1.00 0.00 N ATOM 957 CA LEU A 64 13.003 8.202 4.204 1.00 0.00 C ATOM 958 C LEU A 64 12.907 6.795 3.630 1.00 0.00 C ATOM 959 O LEU A 64 11.903 6.409 3.026 1.00 0.00 O ATOM 960 CB LEU A 64 11.604 8.756 4.498 1.00 0.00 C ATOM 961 CG LEU A 64 11.545 10.054 5.321 1.00 0.00 C ATOM 962 CD1 LEU A 64 12.383 9.934 6.583 1.00 0.00 C ATOM 963 CD2 LEU A 64 11.986 11.255 4.496 1.00 0.00 C ATOM 0 H LEU A 64 13.123 9.757 2.805 1.00 0.00 H new ATOM 0 HA LEU A 64 13.556 8.176 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.098 8.930 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.036 7.990 5.026 1.00 0.00 H new ATOM 0 HG LEU A 64 10.507 10.212 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 12.325 10.864 7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.005 9.114 7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.421 9.737 6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.932 12.156 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.011 11.107 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.330 11.363 3.632 1.00 0.00 H new ATOM 975 N GLU A 65 13.956 6.030 3.856 1.00 0.00 N ATOM 976 CA GLU A 65 14.096 4.718 3.255 1.00 0.00 C ATOM 977 C GLU A 65 13.442 3.633 4.100 1.00 0.00 C ATOM 978 O GLU A 65 12.985 3.893 5.217 1.00 0.00 O ATOM 979 CB GLU A 65 15.573 4.380 2.993 1.00 0.00 C ATOM 980 CG GLU A 65 16.413 4.144 4.245 1.00 0.00 C ATOM 981 CD GLU A 65 16.779 5.417 4.978 1.00 0.00 C ATOM 982 OE1 GLU A 65 17.876 5.961 4.725 1.00 0.00 O ATOM 983 OE2 GLU A 65 15.979 5.874 5.821 1.00 0.00 O ATOM 0 H GLU A 65 14.733 6.299 4.459 1.00 0.00 H new ATOM 0 HA GLU A 65 13.575 4.751 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.621 3.488 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.020 5.193 2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.864 3.490 4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.327 3.620 3.966 1.00 0.00 H new ATOM 990 N GLU A 66 13.366 2.435 3.515 1.00 0.00 N ATOM 991 CA GLU A 66 12.811 1.242 4.154 1.00 0.00 C ATOM 992 C GLU A 66 11.303 1.217 4.053 1.00 0.00 C ATOM 993 O GLU A 66 10.585 1.226 5.052 1.00 0.00 O ATOM 994 CB GLU A 66 13.284 1.093 5.598 1.00 0.00 C ATOM 995 CG GLU A 66 14.771 0.841 5.678 1.00 0.00 C ATOM 996 CD GLU A 66 15.310 0.870 7.089 1.00 0.00 C ATOM 997 OE1 GLU A 66 15.755 1.942 7.539 1.00 0.00 O ATOM 998 OE2 GLU A 66 15.301 -0.188 7.754 1.00 0.00 O ATOM 0 H GLU A 66 13.696 2.265 2.565 1.00 0.00 H new ATOM 0 HA GLU A 66 13.191 0.378 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.038 1.996 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.750 0.270 6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.992 -0.129 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.292 1.591 5.083 1.00 0.00 H new ATOM 1005 N GLN A 67 10.841 1.199 2.816 1.00 0.00 N ATOM 1006 CA GLN A 67 9.435 1.009 2.530 1.00 0.00 C ATOM 1007 C GLN A 67 9.102 -0.473 2.633 1.00 0.00 C ATOM 1008 O GLN A 67 8.668 -0.941 3.685 1.00 0.00 O ATOM 1009 CB GLN A 67 9.082 1.550 1.140 1.00 0.00 C ATOM 1010 CG GLN A 67 7.599 1.457 0.809 1.00 0.00 C ATOM 1011 CD GLN A 67 7.255 2.090 -0.524 1.00 0.00 C ATOM 1012 OE1 GLN A 67 7.895 3.040 -0.955 1.00 0.00 O ATOM 1013 NE2 GLN A 67 6.232 1.575 -1.182 1.00 0.00 N ATOM 0 H GLN A 67 11.426 1.315 1.989 1.00 0.00 H new ATOM 0 HA GLN A 67 8.843 1.564 3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.396 2.592 1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.649 0.998 0.390 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.299 0.409 0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.024 1.944 1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.721 0.783 -0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.953 1.970 -2.080 1.00 0.00 H new ATOM 1022 N LEU A 68 9.336 -1.212 1.551 1.00 0.00 N ATOM 1023 CA LEU A 68 9.102 -2.651 1.535 1.00 0.00 C ATOM 1024 C LEU A 68 10.153 -3.372 0.707 1.00 0.00 C ATOM 1025 O LEU A 68 9.951 -3.623 -0.483 1.00 0.00 O ATOM 1026 CB LEU A 68 7.718 -3.008 0.970 1.00 0.00 C ATOM 1027 CG LEU A 68 6.525 -2.879 1.928 1.00 0.00 C ATOM 1028 CD1 LEU A 68 6.842 -3.487 3.283 1.00 0.00 C ATOM 1029 CD2 LEU A 68 6.093 -1.434 2.073 1.00 0.00 C ATOM 0 H LEU A 68 9.689 -0.835 0.671 1.00 0.00 H new ATOM 0 HA LEU A 68 9.158 -2.974 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.530 -2.372 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.754 -4.036 0.608 1.00 0.00 H new ATOM 0 HG LEU A 68 5.694 -3.436 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.979 -3.381 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.078 -4.544 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.697 -2.973 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.247 -1.374 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.921 -0.845 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.800 -1.042 1.099 1.00 0.00 H new ATOM 1041 N GLY A 69 11.275 -3.693 1.320 1.00 0.00 N ATOM 1042 CA GLY A 69 12.208 -4.596 0.680 1.00 0.00 C ATOM 1043 C GLY A 69 13.573 -4.007 0.389 1.00 0.00 C ATOM 1044 O GLY A 69 13.840 -2.831 0.657 1.00 0.00 O ATOM 0 H GLY A 69 11.558 -3.351 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.335 -5.473 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.771 -4.942 -0.257 1.00 0.00 H new ATOM 1048 N LEU A 70 14.436 -4.853 -0.159 1.00 0.00 N ATOM 1049 CA LEU A 70 15.782 -4.473 -0.549 1.00 0.00 C ATOM 1050 C LEU A 70 15.828 -4.310 -2.070 1.00 0.00 C ATOM 1051 O LEU A 70 15.306 -5.146 -2.808 1.00 0.00 O ATOM 1052 CB LEU A 70 16.768 -5.556 -0.077 1.00 0.00 C ATOM 1053 CG LEU A 70 18.213 -5.102 0.177 1.00 0.00 C ATOM 1054 CD1 LEU A 70 18.971 -6.167 0.950 1.00 0.00 C ATOM 1055 CD2 LEU A 70 18.935 -4.804 -1.124 1.00 0.00 C ATOM 0 H LEU A 70 14.216 -5.831 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 70 16.064 -3.527 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 70 16.381 -5.993 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.786 -6.350 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 70 18.174 -4.185 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 70 19.994 -5.832 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.479 -6.341 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.985 -7.093 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 70 19.955 -4.485 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.958 -5.702 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 70 18.412 -4.010 -1.657 1.00 0.00 H new ATOM 1067 N CYS A 71 16.441 -3.230 -2.522 1.00 0.00 N ATOM 1068 CA CYS A 71 16.470 -2.881 -3.940 1.00 0.00 C ATOM 1069 C CYS A 71 17.487 -3.713 -4.721 1.00 0.00 C ATOM 1070 O CYS A 71 18.333 -4.368 -4.121 1.00 0.00 O ATOM 1071 CB CYS A 71 16.768 -1.395 -4.092 1.00 0.00 C ATOM 1072 SG CYS A 71 15.321 -0.333 -3.785 1.00 0.00 S ATOM 0 H CYS A 71 16.933 -2.569 -1.921 1.00 0.00 H new ATOM 0 HA CYS A 71 15.489 -3.105 -4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 71 17.565 -1.119 -3.401 1.00 0.00 H new ATOM 0 HB3 CYS A 71 17.140 -1.208 -5.099 1.00 0.00 H new ATOM 1077 N PRO A 72 17.366 -3.747 -6.069 1.00 0.00 N ATOM 1078 CA PRO A 72 18.310 -4.440 -6.957 1.00 0.00 C ATOM 1079 C PRO A 72 19.765 -4.350 -6.491 1.00 0.00 C ATOM 1080 O PRO A 72 20.426 -5.376 -6.318 1.00 0.00 O ATOM 1081 CB PRO A 72 18.111 -3.703 -8.275 1.00 0.00 C ATOM 1082 CG PRO A 72 16.658 -3.370 -8.284 1.00 0.00 C ATOM 1083 CD PRO A 72 16.266 -3.130 -6.846 1.00 0.00 C ATOM 0 HA PRO A 72 18.122 -5.513 -7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.727 -2.805 -8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.383 -4.327 -9.127 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.466 -2.486 -8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.076 -4.185 -8.714 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.172 -2.066 -6.630 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.305 -3.589 -6.612 1.00 0.00 H new ATOM 1091 N LEU A 73 20.268 -3.132 -6.285 1.00 0.00 N ATOM 1092 CA LEU A 73 21.594 -2.978 -5.700 1.00 0.00 C ATOM 1093 C LEU A 73 21.543 -3.361 -4.237 1.00 0.00 C ATOM 1094 O LEU A 73 20.632 -2.973 -3.509 1.00 0.00 O ATOM 1095 CB LEU A 73 22.143 -1.557 -5.794 1.00 0.00 C ATOM 1096 CG LEU A 73 22.455 -1.005 -7.180 1.00 0.00 C ATOM 1097 CD1 LEU A 73 23.051 -2.067 -8.080 1.00 0.00 C ATOM 1098 CD2 LEU A 73 21.233 -0.356 -7.804 1.00 0.00 C ATOM 0 H LEU A 73 19.789 -2.260 -6.509 1.00 0.00 H new ATOM 0 HA LEU A 73 22.257 -3.628 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.424 -0.888 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.057 -1.511 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 73 23.209 -0.227 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 73 23.261 -1.638 -9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 23.977 -2.438 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 73 22.345 -2.890 -8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.489 0.027 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 73 20.436 -1.094 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.895 0.465 -7.172 1.00 0.00 H new ATOM 1110 N LYS A 74 22.562 -4.073 -3.811 1.00 0.00 N ATOM 1111 CA LYS A 74 22.566 -4.711 -2.501 1.00 0.00 C ATOM 1112 C LYS A 74 22.654 -3.690 -1.371 1.00 0.00 C ATOM 1113 O LYS A 74 22.191 -3.943 -0.262 1.00 0.00 O ATOM 1114 CB LYS A 74 23.728 -5.697 -2.402 1.00 0.00 C ATOM 1115 CG LYS A 74 23.729 -6.511 -1.119 1.00 0.00 C ATOM 1116 CD LYS A 74 22.490 -7.382 -1.010 1.00 0.00 C ATOM 1117 CE LYS A 74 22.465 -8.153 0.297 1.00 0.00 C ATOM 1118 NZ LYS A 74 23.682 -8.989 0.471 1.00 0.00 N ATOM 0 H LYS A 74 23.410 -4.230 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 74 21.622 -5.245 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.690 -6.377 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.667 -5.148 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 74 24.620 -7.138 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 74 23.780 -5.840 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.599 -6.759 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.460 -8.080 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.383 -7.454 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.580 -8.789 0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 23.540 -9.648 1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.860 -9.528 -0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.498 -8.376 0.672 1.00 0.00 H new ATOM 1132 N ARG A 75 23.243 -2.543 -1.656 1.00 0.00 N ATOM 1133 CA ARG A 75 23.437 -1.511 -0.643 1.00 0.00 C ATOM 1134 C ARG A 75 22.263 -0.548 -0.593 1.00 0.00 C ATOM 1135 O ARG A 75 22.208 0.338 0.259 1.00 0.00 O ATOM 1136 CB ARG A 75 24.710 -0.736 -0.936 1.00 0.00 C ATOM 1137 CG ARG A 75 25.955 -1.587 -0.832 1.00 0.00 C ATOM 1138 CD ARG A 75 27.164 -0.860 -1.371 1.00 0.00 C ATOM 1139 NE ARG A 75 27.033 -0.566 -2.798 1.00 0.00 N ATOM 1140 CZ ARG A 75 28.045 -0.166 -3.565 1.00 0.00 C ATOM 1141 NH1 ARG A 75 29.259 -0.031 -3.043 1.00 0.00 N ATOM 1142 NH2 ARG A 75 27.843 0.100 -4.848 1.00 0.00 N ATOM 0 H ARG A 75 23.597 -2.298 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 75 23.514 -2.006 0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 75 24.649 -0.312 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 75 24.788 0.100 -0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 75 26.126 -1.859 0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 75 25.810 -2.516 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 75 27.304 0.070 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 75 28.055 -1.465 -1.205 1.00 0.00 H new ATOM 0 HE ARG A 75 26.115 -0.673 -3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 75 29.415 -0.234 -2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 75 30.035 0.275 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 75 26.911 -0.002 -5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 75 28.620 0.406 -5.434 1.00 0.00 H new ATOM 1156 N TRP A 76 21.323 -0.726 -1.502 1.00 0.00 N ATOM 1157 CA TRP A 76 20.226 0.210 -1.641 1.00 0.00 C ATOM 1158 C TRP A 76 18.990 -0.296 -0.927 1.00 0.00 C ATOM 1159 O TRP A 76 18.704 -1.496 -0.919 1.00 0.00 O ATOM 1160 CB TRP A 76 19.897 0.446 -3.110 1.00 0.00 C ATOM 1161 CG TRP A 76 21.004 1.071 -3.898 1.00 0.00 C ATOM 1162 CD1 TRP A 76 22.334 0.770 -3.843 1.00 0.00 C ATOM 1163 CD2 TRP A 76 20.870 2.109 -4.869 1.00 0.00 C ATOM 1164 NE1 TRP A 76 23.026 1.527 -4.749 1.00 0.00 N ATOM 1165 CE2 TRP A 76 22.151 2.363 -5.382 1.00 0.00 C ATOM 1166 CE3 TRP A 76 19.790 2.844 -5.359 1.00 0.00 C ATOM 1167 CZ2 TRP A 76 22.379 3.312 -6.361 1.00 0.00 C ATOM 1168 CZ3 TRP A 76 20.018 3.799 -6.322 1.00 0.00 C ATOM 1169 CH2 TRP A 76 21.305 4.024 -6.818 1.00 0.00 C ATOM 0 H TRP A 76 21.298 -1.510 -2.154 1.00 0.00 H new ATOM 0 HA TRP A 76 20.539 1.151 -1.189 1.00 0.00 H new ATOM 0 HB2 TRP A 76 19.634 -0.507 -3.569 1.00 0.00 H new ATOM 0 HB3 TRP A 76 19.016 1.085 -3.174 1.00 0.00 H new ATOM 0 HD1 TRP A 76 22.776 0.040 -3.181 1.00 0.00 H new ATOM 0 HE1 TRP A 76 24.030 1.475 -4.923 1.00 0.00 H new ATOM 0 HE3 TRP A 76 18.791 2.666 -4.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 23.371 3.485 -6.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 19.192 4.383 -6.700 1.00 0.00 H new ATOM 0 HH2 TRP A 76 21.454 4.776 -7.578 1.00 0.00 H new ATOM 1180 N THR A 77 18.259 0.619 -0.333 1.00 0.00 N ATOM 1181 CA THR A 77 17.023 0.281 0.334 1.00 0.00 C ATOM 1182 C THR A 77 15.839 0.837 -0.444 1.00 0.00 C ATOM 1183 O THR A 77 15.928 1.921 -1.028 1.00 0.00 O ATOM 1184 CB THR A 77 16.995 0.850 1.759 1.00 0.00 C ATOM 1185 OG1 THR A 77 18.190 0.486 2.461 1.00 0.00 O ATOM 1186 CG2 THR A 77 15.789 0.329 2.515 1.00 0.00 C ATOM 0 H THR A 77 18.501 1.609 -0.298 1.00 0.00 H new ATOM 0 HA THR A 77 16.956 -0.806 0.384 1.00 0.00 H new ATOM 0 HB THR A 77 16.932 1.936 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 77 18.162 0.856 3.368 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.785 0.743 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.878 0.628 1.997 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.836 -0.759 2.569 1.00 0.00 H new ATOM 1194 N CYS A 78 14.741 0.091 -0.466 1.00 0.00 N ATOM 1195 CA CYS A 78 13.512 0.582 -1.063 1.00 0.00 C ATOM 1196 C CYS A 78 12.989 1.726 -0.215 1.00 0.00 C ATOM 1197 O CYS A 78 12.700 1.548 0.962 1.00 0.00 O ATOM 1198 CB CYS A 78 12.471 -0.535 -1.162 1.00 0.00 C ATOM 1199 SG CYS A 78 10.857 0.008 -1.808 1.00 0.00 S ATOM 0 H CYS A 78 14.679 -0.851 -0.079 1.00 0.00 H new ATOM 0 HA CYS A 78 13.712 0.933 -2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.861 -1.324 -1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 78 12.327 -0.971 -0.174 1.00 0.00 H new ATOM 1204 N CYS A 79 12.896 2.900 -0.802 1.00 0.00 N ATOM 1205 CA CYS A 79 12.550 4.095 -0.056 1.00 0.00 C ATOM 1206 C CYS A 79 11.128 4.531 -0.334 1.00 0.00 C ATOM 1207 O CYS A 79 10.656 4.474 -1.472 1.00 0.00 O ATOM 1208 CB CYS A 79 13.538 5.209 -0.381 1.00 0.00 C ATOM 1209 SG CYS A 79 13.012 6.877 0.133 1.00 0.00 S ATOM 0 H CYS A 79 13.056 3.055 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 79 12.612 3.867 1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 79 14.490 4.981 0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 79 13.715 5.215 -1.457 1.00 0.00 H new ATOM 1214 N LYS A 80 10.452 4.979 0.711 1.00 0.00 N ATOM 1215 CA LYS A 80 9.054 5.327 0.602 1.00 0.00 C ATOM 1216 C LYS A 80 8.881 6.791 0.247 1.00 0.00 C ATOM 1217 O LYS A 80 8.959 7.661 1.116 1.00 0.00 O ATOM 1218 CB LYS A 80 8.316 5.035 1.904 1.00 0.00 C ATOM 1219 CG LYS A 80 6.810 5.096 1.744 1.00 0.00 C ATOM 1220 CD LYS A 80 6.092 5.113 3.076 1.00 0.00 C ATOM 1221 CE LYS A 80 6.300 3.822 3.851 1.00 0.00 C ATOM 1222 NZ LYS A 80 5.625 3.855 5.174 1.00 0.00 N ATOM 0 H LYS A 80 10.852 5.108 1.640 1.00 0.00 H new ATOM 0 HA LYS A 80 8.630 4.716 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.600 4.046 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.627 5.753 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.543 5.988 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.473 4.237 1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.450 5.954 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.026 5.269 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.917 2.984 3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.367 3.651 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.791 2.957 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.008 4.639 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.603 3.992 5.039 1.00 0.00 H new ATOM 1236 N GLU A 81 8.659 7.040 -1.037 1.00 0.00 N ATOM 1237 CA GLU A 81 8.261 8.358 -1.525 1.00 0.00 C ATOM 1238 C GLU A 81 9.337 9.412 -1.273 1.00 0.00 C ATOM 1239 O GLU A 81 9.356 10.067 -0.229 1.00 0.00 O ATOM 1240 CB GLU A 81 6.941 8.784 -0.877 1.00 0.00 C ATOM 1241 CG GLU A 81 5.775 7.872 -1.225 1.00 0.00 C ATOM 1242 CD GLU A 81 4.580 8.056 -0.308 1.00 0.00 C ATOM 1243 OE1 GLU A 81 4.368 7.192 0.573 1.00 0.00 O ATOM 1244 OE2 GLU A 81 3.840 9.053 -0.464 1.00 0.00 O ATOM 0 H GLU A 81 8.749 6.337 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 81 8.127 8.281 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.066 8.804 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.703 9.801 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.468 8.061 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.106 6.835 -1.177 1.00 0.00 H new ATOM 1251 N ILE A 82 10.219 9.577 -2.246 1.00 0.00 N ATOM 1252 CA ILE A 82 11.277 10.573 -2.157 1.00 0.00 C ATOM 1253 C ILE A 82 10.687 11.969 -2.312 1.00 0.00 C ATOM 1254 O ILE A 82 10.575 12.690 -1.299 1.00 0.00 O ATOM 1255 CB ILE A 82 12.368 10.370 -3.236 1.00 0.00 C ATOM 1256 CG1 ILE A 82 12.910 8.937 -3.207 1.00 0.00 C ATOM 1257 CG2 ILE A 82 13.501 11.368 -3.029 1.00 0.00 C ATOM 1258 CD1 ILE A 82 13.951 8.660 -4.276 1.00 0.00 C ATOM 1259 OXT ILE A 82 10.308 12.327 -3.443 1.00 0.00 O ATOM 0 H ILE A 82 10.224 9.033 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 82 11.743 10.458 -1.178 1.00 0.00 H new ATOM 0 HB ILE A 82 11.918 10.541 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.346 8.742 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.080 8.241 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 82 14.263 11.217 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.110 12.383 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 82 13.941 11.219 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 82 14.290 7.627 -4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 82 13.513 8.822 -5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 82 14.799 9.331 -4.141 1.00 0.00 H new TER 1271 ILE A 82