USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 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 20 SER OG : rot 180:sc= -0.0146 USER MOD Set 1.2: A 21 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.11 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00368 USER MOD Single : A 8 CYS SG : rot 180:sc=-0.00636 USER MOD Single : A 9 SER OG : rot -5:sc= 0.959 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -109:sc= 0.0919 USER MOD Single : A 22 CYS SG : rot 179:sc= 1.32 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 73:sc= 1.29 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 32 THR OG1 : rot 0:sc= 0.133! USER MOD Single : A 33 THR OG1 : rot 170:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.403 K(o=-0.4,f=-1) USER MOD Single : A 39 HIS : no HD1:sc= -0.0698 X(o=-0.07,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 56 HIS : no HD1:sc= -0.0505 X(o=-0.05,f=-0.21) USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0.688 (180deg=0.641) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.457 K(o=0.46,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.809 -11.621 -1.860 1.00 0.00 N ATOM 2 CA GLY A 1 29.877 -10.352 -2.592 1.00 0.00 C ATOM 3 C GLY A 1 29.434 -9.223 -1.684 1.00 0.00 C ATOM 4 O GLY A 1 29.653 -9.319 -0.473 1.00 0.00 O ATOM 0 H1 GLY A 1 30.605 -12.227 -2.142 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.860 -11.435 -0.838 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.913 -12.101 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.894 -10.175 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.240 -10.394 -3.475 1.00 0.00 H new ATOM 8 N PRO A 2 28.851 -8.146 -2.236 1.00 0.00 N ATOM 9 CA PRO A 2 28.368 -7.035 -1.434 1.00 0.00 C ATOM 10 C PRO A 2 27.090 -7.478 -0.710 1.00 0.00 C ATOM 11 O PRO A 2 26.556 -8.565 -0.974 1.00 0.00 O ATOM 12 CB PRO A 2 28.104 -5.911 -2.433 1.00 0.00 C ATOM 13 CG PRO A 2 27.703 -6.658 -3.704 1.00 0.00 C ATOM 14 CD PRO A 2 28.554 -7.928 -3.646 1.00 0.00 C ATOM 0 HA PRO A 2 29.070 -6.704 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 2 27.311 -5.246 -2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 2 28.990 -5.296 -2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 2 26.638 -6.887 -3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 2 27.914 -6.072 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 2 28.017 -8.778 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 2 29.470 -7.811 -4.225 1.00 0.00 H new ATOM 22 N LEU A 3 26.610 -6.665 0.230 1.00 0.00 N ATOM 23 CA LEU A 3 25.403 -6.963 0.989 1.00 0.00 C ATOM 24 C LEU A 3 24.855 -5.669 1.598 1.00 0.00 C ATOM 25 O LEU A 3 25.530 -4.639 1.565 1.00 0.00 O ATOM 26 CB LEU A 3 25.752 -8.010 2.070 1.00 0.00 C ATOM 27 CG LEU A 3 24.571 -8.904 2.477 1.00 0.00 C ATOM 28 CD1 LEU A 3 24.069 -9.803 1.336 1.00 0.00 C ATOM 29 CD2 LEU A 3 25.001 -9.795 3.644 1.00 0.00 C ATOM 0 H LEU A 3 27.050 -5.781 0.485 1.00 0.00 H new ATOM 0 HA LEU A 3 24.626 -7.377 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 3 26.562 -8.640 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 3 26.125 -7.494 2.954 1.00 0.00 H new ATOM 0 HG LEU A 3 23.752 -8.241 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 3 23.235 -10.408 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 3 23.739 -9.183 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 3 24.877 -10.456 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 3 24.169 -10.434 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 3 25.843 -10.415 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 3 25.298 -9.172 4.487 1.00 0.00 H new ATOM 41 N GLY A 4 23.659 -5.708 2.190 1.00 0.00 N ATOM 42 CA GLY A 4 23.047 -4.537 2.811 1.00 0.00 C ATOM 43 C GLY A 4 22.389 -3.604 1.793 1.00 0.00 C ATOM 44 O GLY A 4 22.450 -2.378 1.952 1.00 0.00 O ATOM 0 H GLY A 4 23.090 -6.553 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.300 -4.863 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.807 -3.986 3.365 1.00 0.00 H new ATOM 48 N SER A 5 21.781 -4.159 0.741 1.00 0.00 N ATOM 49 CA SER A 5 21.096 -3.436 -0.320 1.00 0.00 C ATOM 50 C SER A 5 19.841 -2.722 0.209 1.00 0.00 C ATOM 51 O SER A 5 18.811 -3.358 0.425 1.00 0.00 O ATOM 52 CB SER A 5 20.775 -4.403 -1.470 1.00 0.00 C ATOM 53 OG SER A 5 20.281 -5.656 -1.027 1.00 0.00 O ATOM 0 H SER A 5 21.755 -5.170 0.605 1.00 0.00 H new ATOM 0 HA SER A 5 21.751 -2.654 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.039 -3.942 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.676 -4.564 -2.062 1.00 0.00 H new ATOM 0 HG SER A 5 20.094 -6.226 -1.802 1.00 0.00 H new ATOM 59 N THR A 6 19.938 -1.422 0.493 1.00 0.00 N ATOM 60 CA THR A 6 18.826 -0.610 0.972 1.00 0.00 C ATOM 61 C THR A 6 17.831 -0.503 -0.182 1.00 0.00 C ATOM 62 O THR A 6 18.249 -0.279 -1.323 1.00 0.00 O ATOM 63 CB THR A 6 19.325 0.791 1.368 1.00 0.00 C ATOM 64 OG1 THR A 6 20.524 0.701 2.110 1.00 0.00 O ATOM 65 CG2 THR A 6 18.307 1.551 2.220 1.00 0.00 C ATOM 0 H THR A 6 20.808 -0.898 0.394 1.00 0.00 H new ATOM 0 HA THR A 6 18.363 -1.060 1.850 1.00 0.00 H new ATOM 0 HB THR A 6 19.485 1.331 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 6 20.827 1.601 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 6 18.706 2.533 2.473 1.00 0.00 H new ATOM 0 HG22 THR A 6 17.380 1.669 1.660 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.109 0.993 3.135 1.00 0.00 H new ATOM 73 N ASP A 7 16.542 -0.625 0.106 1.00 0.00 N ATOM 74 CA ASP A 7 15.469 -0.554 -0.875 1.00 0.00 C ATOM 75 C ASP A 7 14.179 -0.060 -0.226 1.00 0.00 C ATOM 76 O ASP A 7 14.113 0.088 1.000 1.00 0.00 O ATOM 77 CB ASP A 7 15.269 -1.934 -1.519 1.00 0.00 C ATOM 78 CG ASP A 7 14.733 -3.053 -0.614 1.00 0.00 C ATOM 79 OD1 ASP A 7 14.463 -4.144 -1.165 1.00 0.00 O ATOM 80 OD2 ASP A 7 14.558 -2.913 0.620 1.00 0.00 O ATOM 0 H ASP A 7 16.205 -0.781 1.056 1.00 0.00 H new ATOM 0 HA ASP A 7 15.742 0.159 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.584 -1.820 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 7 16.225 -2.259 -1.929 1.00 0.00 H new ATOM 85 N CYS A 8 13.163 0.210 -1.048 1.00 0.00 N ATOM 86 CA CYS A 8 11.855 0.677 -0.619 1.00 0.00 C ATOM 87 C CYS A 8 10.799 -0.115 -1.388 1.00 0.00 C ATOM 88 O CYS A 8 10.832 -0.163 -2.622 1.00 0.00 O ATOM 89 CB CYS A 8 11.683 2.178 -0.915 1.00 0.00 C ATOM 90 SG CYS A 8 12.994 3.208 -0.200 1.00 0.00 S ATOM 0 H CYS A 8 13.236 0.105 -2.060 1.00 0.00 H new ATOM 0 HA CYS A 8 11.750 0.530 0.456 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.661 2.328 -1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.719 2.509 -0.528 1.00 0.00 H new ATOM 0 HG CYS A 8 12.776 4.455 -0.496 1.00 0.00 H new ATOM 96 N SER A 9 9.837 -0.735 -0.711 1.00 0.00 N ATOM 97 CA SER A 9 8.746 -1.515 -1.298 1.00 0.00 C ATOM 98 C SER A 9 7.619 -1.604 -0.258 1.00 0.00 C ATOM 99 O SER A 9 7.845 -1.262 0.909 1.00 0.00 O ATOM 100 CB SER A 9 9.272 -2.897 -1.707 1.00 0.00 C ATOM 101 OG SER A 9 10.215 -2.783 -2.754 1.00 0.00 O ATOM 0 H SER A 9 9.792 -0.708 0.308 1.00 0.00 H new ATOM 0 HA SER A 9 8.353 -1.042 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.732 -3.385 -0.848 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.442 -3.528 -2.025 1.00 0.00 H new ATOM 0 HG SER A 9 10.263 -1.850 -3.051 1.00 0.00 H new ATOM 107 N ILE A 10 6.422 -2.085 -0.639 1.00 0.00 N ATOM 108 CA ILE A 10 5.280 -2.190 0.283 1.00 0.00 C ATOM 109 C ILE A 10 5.622 -2.935 1.557 1.00 0.00 C ATOM 110 O ILE A 10 5.051 -2.592 2.587 1.00 0.00 O ATOM 111 CB ILE A 10 4.039 -2.789 -0.412 1.00 0.00 C ATOM 112 CG1 ILE A 10 3.373 -1.708 -1.254 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.980 -3.399 0.511 1.00 0.00 C ATOM 114 CD1 ILE A 10 2.679 -0.561 -0.516 1.00 0.00 C ATOM 0 H ILE A 10 6.221 -2.409 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 10 5.031 -1.171 0.580 1.00 0.00 H new ATOM 0 HB ILE A 10 4.424 -3.618 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.131 -1.277 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.635 -2.189 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.156 -3.788 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.424 -4.210 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.605 -2.634 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.251 0.132 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.886 -0.962 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.405 -0.035 0.104 1.00 0.00 H new ATOM 126 N VAL A 11 6.561 -3.876 1.502 1.00 0.00 N ATOM 127 CA VAL A 11 6.961 -4.620 2.701 1.00 0.00 C ATOM 128 C VAL A 11 7.280 -3.661 3.860 1.00 0.00 C ATOM 129 O VAL A 11 6.738 -3.788 4.955 1.00 0.00 O ATOM 130 CB VAL A 11 8.101 -5.610 2.407 1.00 0.00 C ATOM 131 CG1 VAL A 11 7.544 -6.794 1.608 1.00 0.00 C ATOM 132 CG2 VAL A 11 9.288 -5.018 1.629 1.00 0.00 C ATOM 0 H VAL A 11 7.057 -4.142 0.651 1.00 0.00 H new ATOM 0 HA VAL A 11 6.116 -5.230 3.020 1.00 0.00 H new ATOM 0 HB VAL A 11 8.488 -5.909 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.347 -7.500 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.767 -7.292 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.121 -6.433 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.040 -5.791 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.942 -4.645 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.725 -4.199 2.200 1.00 0.00 H new ATOM 142 N SER A 12 8.076 -2.626 3.589 1.00 0.00 N ATOM 143 CA SER A 12 8.468 -1.612 4.555 1.00 0.00 C ATOM 144 C SER A 12 7.230 -0.879 5.087 1.00 0.00 C ATOM 145 O SER A 12 7.163 -0.553 6.269 1.00 0.00 O ATOM 146 CB SER A 12 9.404 -0.633 3.834 1.00 0.00 C ATOM 147 OG SER A 12 10.269 0.090 4.688 1.00 0.00 O ATOM 0 H SER A 12 8.475 -2.470 2.663 1.00 0.00 H new ATOM 0 HA SER A 12 8.973 -2.065 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.006 -1.189 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.801 0.075 3.266 1.00 0.00 H new ATOM 0 HG SER A 12 10.832 0.688 4.153 1.00 0.00 H new ATOM 153 N PHE A 13 6.275 -0.563 4.205 1.00 0.00 N ATOM 154 CA PHE A 13 5.053 0.142 4.558 1.00 0.00 C ATOM 155 C PHE A 13 4.177 -0.727 5.459 1.00 0.00 C ATOM 156 O PHE A 13 3.767 -0.265 6.521 1.00 0.00 O ATOM 157 CB PHE A 13 4.331 0.603 3.276 1.00 0.00 C ATOM 158 CG PHE A 13 3.135 1.529 3.461 1.00 0.00 C ATOM 159 CD1 PHE A 13 1.917 1.245 2.804 1.00 0.00 C ATOM 160 CD2 PHE A 13 3.257 2.717 4.215 1.00 0.00 C ATOM 161 CE1 PHE A 13 0.827 2.127 2.923 1.00 0.00 C ATOM 162 CE2 PHE A 13 2.156 3.587 4.342 1.00 0.00 C ATOM 163 CZ PHE A 13 0.945 3.274 3.714 1.00 0.00 C ATOM 0 H PHE A 13 6.337 -0.796 3.214 1.00 0.00 H new ATOM 0 HA PHE A 13 5.292 1.037 5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.057 1.108 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.996 -0.283 2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.822 0.349 2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.194 2.959 4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.098 1.919 2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.246 4.493 4.923 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.093 3.925 3.842 1.00 0.00 H new ATOM 173 N PHE A 14 3.886 -1.971 5.067 1.00 0.00 N ATOM 174 CA PHE A 14 3.048 -2.871 5.844 1.00 0.00 C ATOM 175 C PHE A 14 3.692 -3.134 7.196 1.00 0.00 C ATOM 176 O PHE A 14 2.989 -3.058 8.204 1.00 0.00 O ATOM 177 CB PHE A 14 2.703 -4.127 5.026 1.00 0.00 C ATOM 178 CG PHE A 14 1.449 -3.958 4.178 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.518 -5.010 4.106 1.00 0.00 C ATOM 180 CD2 PHE A 14 1.168 -2.747 3.508 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.675 -4.858 3.383 1.00 0.00 C ATOM 182 CE2 PHE A 14 -0.035 -2.589 2.800 1.00 0.00 C ATOM 183 CZ PHE A 14 -0.961 -3.643 2.748 1.00 0.00 C ATOM 0 H PHE A 14 4.230 -2.378 4.197 1.00 0.00 H new ATOM 0 HA PHE A 14 2.085 -2.410 6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.543 -4.374 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.566 -4.969 5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.723 -5.942 4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.882 -1.938 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.373 -5.679 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.247 -1.658 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.894 -3.517 2.218 1.00 0.00 H new ATOM 193 N ALA A 15 5.011 -3.333 7.235 1.00 0.00 N ATOM 194 CA ALA A 15 5.739 -3.565 8.471 1.00 0.00 C ATOM 195 C ALA A 15 5.561 -2.366 9.404 1.00 0.00 C ATOM 196 O ALA A 15 5.206 -2.548 10.569 1.00 0.00 O ATOM 197 CB ALA A 15 7.215 -3.831 8.168 1.00 0.00 C ATOM 0 H ALA A 15 5.601 -3.337 6.403 1.00 0.00 H new ATOM 0 HA ALA A 15 5.341 -4.447 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.752 -4.004 9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.303 -4.711 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.643 -2.968 7.657 1.00 0.00 H new ATOM 203 N ARG A 16 5.757 -1.131 8.916 1.00 0.00 N ATOM 204 CA ARG A 16 5.596 0.061 9.753 1.00 0.00 C ATOM 205 C ARG A 16 4.168 0.206 10.258 1.00 0.00 C ATOM 206 O ARG A 16 3.985 0.465 11.448 1.00 0.00 O ATOM 207 CB ARG A 16 6.023 1.339 9.016 1.00 0.00 C ATOM 208 CG ARG A 16 7.552 1.454 8.959 1.00 0.00 C ATOM 209 CD ARG A 16 8.008 2.902 8.756 1.00 0.00 C ATOM 210 NE ARG A 16 7.688 3.404 7.410 1.00 0.00 N ATOM 211 CZ ARG A 16 7.596 4.690 7.051 1.00 0.00 C ATOM 212 NH1 ARG A 16 7.772 5.675 7.923 1.00 0.00 N ATOM 213 NH2 ARG A 16 7.310 4.985 5.793 1.00 0.00 N ATOM 0 H ARG A 16 6.026 -0.936 7.952 1.00 0.00 H new ATOM 0 HA ARG A 16 6.253 -0.075 10.612 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.617 1.333 8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.607 2.211 9.521 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.980 1.065 9.883 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.933 0.836 8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.532 3.539 9.502 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.084 2.968 8.920 1.00 0.00 H new ATOM 0 HE ARG A 16 7.521 2.708 6.684 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.984 5.462 8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.695 6.645 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.164 4.238 5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.236 5.960 5.502 1.00 0.00 H new ATOM 227 N LEU A 17 3.172 0.063 9.381 1.00 0.00 N ATOM 228 CA LEU A 17 1.768 0.178 9.782 1.00 0.00 C ATOM 229 C LEU A 17 1.393 -0.929 10.767 1.00 0.00 C ATOM 230 O LEU A 17 0.545 -0.713 11.633 1.00 0.00 O ATOM 231 CB LEU A 17 0.810 0.075 8.583 1.00 0.00 C ATOM 232 CG LEU A 17 0.903 1.173 7.515 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.141 0.961 6.408 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.740 2.593 8.071 1.00 0.00 C ATOM 0 H LEU A 17 3.311 -0.132 8.390 1.00 0.00 H new ATOM 0 HA LEU A 17 1.666 1.160 10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.980 -0.885 8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.210 0.062 8.966 1.00 0.00 H new ATOM 0 HG LEU A 17 1.912 1.087 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.051 1.754 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.027 -0.004 5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.141 0.982 6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.818 3.314 7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.236 2.687 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.522 2.789 8.804 1.00 0.00 H new ATOM 246 N GLY A 18 2.015 -2.101 10.663 1.00 0.00 N ATOM 247 CA GLY A 18 1.769 -3.251 11.505 1.00 0.00 C ATOM 248 C GLY A 18 0.789 -4.198 10.827 1.00 0.00 C ATOM 249 O GLY A 18 0.107 -4.957 11.525 1.00 0.00 O ATOM 0 H GLY A 18 2.732 -2.274 9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.706 -3.770 11.708 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.369 -2.928 12.466 1.00 0.00 H new ATOM 253 N CYS A 19 0.648 -4.116 9.497 1.00 0.00 N ATOM 254 CA CYS A 19 -0.253 -4.988 8.764 1.00 0.00 C ATOM 255 C CYS A 19 0.176 -6.451 8.952 1.00 0.00 C ATOM 256 O CYS A 19 1.371 -6.735 8.972 1.00 0.00 O ATOM 257 CB CYS A 19 -0.288 -4.604 7.286 1.00 0.00 C ATOM 258 SG CYS A 19 -0.641 -2.830 7.086 1.00 0.00 S ATOM 0 H CYS A 19 1.153 -3.449 8.913 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.263 -4.872 9.156 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.668 -4.844 6.821 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.049 -5.191 6.771 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.838 -2.678 6.603 1.00 0.00 H new ATOM 264 N SER A 20 -0.788 -7.369 9.040 1.00 0.00 N ATOM 265 CA SER A 20 -0.554 -8.796 9.237 1.00 0.00 C ATOM 266 C SER A 20 -0.937 -9.554 7.958 1.00 0.00 C ATOM 267 O SER A 20 -0.333 -9.297 6.918 1.00 0.00 O ATOM 268 CB SER A 20 -1.279 -9.189 10.537 1.00 0.00 C ATOM 269 OG SER A 20 -1.357 -10.575 10.784 1.00 0.00 O ATOM 0 H SER A 20 -1.778 -7.132 8.974 1.00 0.00 H new ATOM 0 HA SER A 20 0.491 -9.068 9.384 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.770 -8.714 11.376 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.290 -8.784 10.507 1.00 0.00 H new ATOM 0 HG SER A 20 -1.830 -10.731 11.628 1.00 0.00 H new ATOM 275 N SER A 21 -1.999 -10.365 7.968 1.00 0.00 N ATOM 276 CA SER A 21 -2.473 -11.180 6.846 1.00 0.00 C ATOM 277 C SER A 21 -2.681 -10.416 5.535 1.00 0.00 C ATOM 278 O SER A 21 -2.686 -11.026 4.470 1.00 0.00 O ATOM 279 CB SER A 21 -3.769 -11.887 7.248 1.00 0.00 C ATOM 280 OG SER A 21 -3.706 -12.335 8.594 1.00 0.00 O ATOM 0 H SER A 21 -2.580 -10.476 8.799 1.00 0.00 H new ATOM 0 HA SER A 21 -1.677 -11.895 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.612 -11.207 7.126 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.946 -12.735 6.586 1.00 0.00 H new ATOM 0 HG SER A 21 -4.546 -12.782 8.830 1.00 0.00 H new ATOM 286 N CYS A 22 -2.853 -9.094 5.577 1.00 0.00 N ATOM 287 CA CYS A 22 -3.017 -8.317 4.361 1.00 0.00 C ATOM 288 C CYS A 22 -1.724 -8.377 3.530 1.00 0.00 C ATOM 289 O CYS A 22 -1.793 -8.264 2.308 1.00 0.00 O ATOM 290 CB CYS A 22 -3.447 -6.892 4.716 1.00 0.00 C ATOM 291 SG CYS A 22 -4.932 -6.966 5.764 1.00 0.00 S ATOM 0 H CYS A 22 -2.881 -8.547 6.438 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.808 -8.737 3.739 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.642 -6.375 5.239 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.654 -6.324 3.809 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.288 -5.761 6.098 1.00 0.00 H new ATOM 297 N LEU A 23 -0.556 -8.511 4.178 1.00 0.00 N ATOM 298 CA LEU A 23 0.730 -8.620 3.517 1.00 0.00 C ATOM 299 C LEU A 23 0.737 -9.937 2.756 1.00 0.00 C ATOM 300 O LEU A 23 1.134 -9.958 1.598 1.00 0.00 O ATOM 301 CB LEU A 23 1.891 -8.465 4.528 1.00 0.00 C ATOM 302 CG LEU A 23 2.471 -9.707 5.239 1.00 0.00 C ATOM 303 CD1 LEU A 23 3.525 -10.424 4.386 1.00 0.00 C ATOM 304 CD2 LEU A 23 3.158 -9.253 6.529 1.00 0.00 C ATOM 0 H LEU A 23 -0.491 -8.546 5.195 1.00 0.00 H new ATOM 0 HA LEU A 23 0.885 -7.811 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.714 -7.979 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.555 -7.776 5.303 1.00 0.00 H new ATOM 0 HG LEU A 23 1.646 -10.394 5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.904 -11.291 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.074 -10.751 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.348 -9.741 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.574 -10.119 7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.960 -8.555 6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.431 -8.761 7.175 1.00 0.00 H new ATOM 316 N ASP A 24 0.225 -10.994 3.397 1.00 0.00 N ATOM 317 CA ASP A 24 0.124 -12.355 2.885 1.00 0.00 C ATOM 318 C ASP A 24 -0.690 -12.356 1.591 1.00 0.00 C ATOM 319 O ASP A 24 -0.291 -12.962 0.598 1.00 0.00 O ATOM 320 CB ASP A 24 -0.477 -13.257 3.965 1.00 0.00 C ATOM 321 CG ASP A 24 -0.220 -14.736 3.716 1.00 0.00 C ATOM 322 OD1 ASP A 24 0.932 -15.168 3.937 1.00 0.00 O ATOM 323 OD2 ASP A 24 -1.198 -15.480 3.460 1.00 0.00 O ATOM 0 H ASP A 24 -0.150 -10.912 4.342 1.00 0.00 H new ATOM 0 HA ASP A 24 1.110 -12.751 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.062 -12.980 4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.552 -13.085 4.018 1.00 0.00 H new ATOM 328 N TYR A 25 -1.814 -11.632 1.572 1.00 0.00 N ATOM 329 CA TYR A 25 -2.663 -11.525 0.388 1.00 0.00 C ATOM 330 C TYR A 25 -1.860 -10.844 -0.727 1.00 0.00 C ATOM 331 O TYR A 25 -1.738 -11.385 -1.828 1.00 0.00 O ATOM 332 CB TYR A 25 -3.952 -10.743 0.699 1.00 0.00 C ATOM 333 CG TYR A 25 -4.804 -11.255 1.856 1.00 0.00 C ATOM 334 CD1 TYR A 25 -5.576 -10.340 2.600 1.00 0.00 C ATOM 335 CD2 TYR A 25 -4.858 -12.627 2.185 1.00 0.00 C ATOM 336 CE1 TYR A 25 -6.316 -10.768 3.718 1.00 0.00 C ATOM 337 CE2 TYR A 25 -5.617 -13.067 3.285 1.00 0.00 C ATOM 338 CZ TYR A 25 -6.315 -12.133 4.082 1.00 0.00 C ATOM 339 OH TYR A 25 -6.970 -12.533 5.205 1.00 0.00 O ATOM 0 H TYR A 25 -2.157 -11.106 2.376 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.966 -12.521 0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.680 -9.709 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.569 -10.734 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.600 -9.300 2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.313 -13.344 1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.884 -10.054 4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.666 -14.120 3.520 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.873 -13.502 5.312 1.00 0.00 H new ATOM 349 N PHE A 26 -1.261 -9.682 -0.441 1.00 0.00 N ATOM 350 CA PHE A 26 -0.468 -8.941 -1.410 1.00 0.00 C ATOM 351 C PHE A 26 0.657 -9.778 -2.020 1.00 0.00 C ATOM 352 O PHE A 26 0.786 -9.797 -3.243 1.00 0.00 O ATOM 353 CB PHE A 26 0.110 -7.708 -0.725 1.00 0.00 C ATOM 354 CG PHE A 26 -0.565 -6.417 -1.100 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.306 -5.765 -2.328 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.440 -5.847 -0.165 1.00 0.00 C ATOM 357 CE1 PHE A 26 -0.831 -4.479 -2.540 1.00 0.00 C ATOM 358 CE2 PHE A 26 -1.984 -4.585 -0.404 1.00 0.00 C ATOM 359 CZ PHE A 26 -1.639 -3.874 -1.563 1.00 0.00 C ATOM 0 H PHE A 26 -1.317 -9.234 0.474 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.123 -8.656 -2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.040 -7.840 0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.170 -7.634 -0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.286 -6.248 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.692 -6.383 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.612 -3.954 -3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.674 -4.153 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.994 -2.864 -1.704 1.00 0.00 H new ATOM 369 N THR A 27 1.476 -10.454 -1.208 1.00 0.00 N ATOM 370 CA THR A 27 2.565 -11.275 -1.732 1.00 0.00 C ATOM 371 C THR A 27 1.983 -12.380 -2.628 1.00 0.00 C ATOM 372 O THR A 27 2.522 -12.640 -3.705 1.00 0.00 O ATOM 373 CB THR A 27 3.499 -11.733 -0.593 1.00 0.00 C ATOM 374 OG1 THR A 27 4.587 -12.460 -1.102 1.00 0.00 O ATOM 375 CG2 THR A 27 2.840 -12.593 0.479 1.00 0.00 C ATOM 0 H THR A 27 1.404 -10.447 -0.191 1.00 0.00 H new ATOM 0 HA THR A 27 3.222 -10.700 -2.384 1.00 0.00 H new ATOM 0 HB THR A 27 3.811 -10.801 -0.121 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.168 -12.740 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.579 -12.863 1.234 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.030 -12.033 0.948 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.439 -13.498 0.023 1.00 0.00 H new ATOM 383 N THR A 28 0.836 -12.970 -2.262 1.00 0.00 N ATOM 384 CA THR A 28 0.197 -14.003 -3.075 1.00 0.00 C ATOM 385 C THR A 28 -0.232 -13.406 -4.432 1.00 0.00 C ATOM 386 O THR A 28 -0.257 -14.107 -5.451 1.00 0.00 O ATOM 387 CB THR A 28 -1.000 -14.606 -2.323 1.00 0.00 C ATOM 388 OG1 THR A 28 -0.665 -15.014 -1.009 1.00 0.00 O ATOM 389 CG2 THR A 28 -1.532 -15.857 -3.025 1.00 0.00 C ATOM 0 H THR A 28 0.334 -12.745 -1.403 1.00 0.00 H new ATOM 0 HA THR A 28 0.908 -14.807 -3.266 1.00 0.00 H new ATOM 0 HB THR A 28 -1.745 -13.810 -2.300 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.549 -14.224 -0.441 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.378 -16.256 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.854 -15.599 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.744 -16.608 -3.077 1.00 0.00 H new ATOM 397 N GLN A 29 -0.587 -12.117 -4.476 1.00 0.00 N ATOM 398 CA GLN A 29 -0.986 -11.430 -5.687 1.00 0.00 C ATOM 399 C GLN A 29 0.257 -11.005 -6.496 1.00 0.00 C ATOM 400 O GLN A 29 0.144 -10.865 -7.709 1.00 0.00 O ATOM 401 CB GLN A 29 -1.870 -10.236 -5.308 1.00 0.00 C ATOM 402 CG GLN A 29 -3.234 -10.598 -4.696 1.00 0.00 C ATOM 403 CD GLN A 29 -4.235 -10.998 -5.780 1.00 0.00 C ATOM 404 OE1 GLN A 29 -4.881 -10.152 -6.393 1.00 0.00 O ATOM 405 NE2 GLN A 29 -4.393 -12.287 -6.038 1.00 0.00 N ATOM 0 H GLN A 29 -0.602 -11.520 -3.649 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.565 -12.095 -6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.326 -9.612 -4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.039 -9.632 -6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.112 -11.418 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.621 -9.748 -4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.851 -12.980 -5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.057 -12.587 -6.752 1.00 0.00 H new ATOM 414 N GLY A 30 1.430 -10.829 -5.869 1.00 0.00 N ATOM 415 CA GLY A 30 2.678 -10.447 -6.531 1.00 0.00 C ATOM 416 C GLY A 30 2.596 -9.062 -7.166 1.00 0.00 C ATOM 417 O GLY A 30 3.133 -8.834 -8.253 1.00 0.00 O ATOM 0 H GLY A 30 1.535 -10.953 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.491 -10.464 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.920 -11.182 -7.298 1.00 0.00 H new ATOM 421 N LEU A 31 1.947 -8.125 -6.473 1.00 0.00 N ATOM 422 CA LEU A 31 1.727 -6.751 -6.929 1.00 0.00 C ATOM 423 C LEU A 31 1.849 -5.752 -5.790 1.00 0.00 C ATOM 424 O LEU A 31 1.136 -4.753 -5.715 1.00 0.00 O ATOM 425 CB LEU A 31 0.371 -6.664 -7.643 1.00 0.00 C ATOM 426 CG LEU A 31 -0.812 -7.421 -7.026 1.00 0.00 C ATOM 427 CD1 LEU A 31 -1.445 -6.672 -5.854 1.00 0.00 C ATOM 428 CD2 LEU A 31 -1.830 -7.743 -8.118 1.00 0.00 C ATOM 0 H LEU A 31 1.548 -8.306 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 31 2.507 -6.483 -7.641 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.096 -5.612 -7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.505 -7.026 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.438 -8.354 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.277 -7.254 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.700 -6.523 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.811 -5.704 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.672 -8.281 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.185 -6.816 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.360 -8.362 -8.883 1.00 0.00 H new ATOM 440 N THR A 32 2.750 -6.038 -4.859 1.00 0.00 N ATOM 441 CA THR A 32 2.929 -5.143 -3.733 1.00 0.00 C ATOM 442 C THR A 32 3.890 -4.060 -4.231 1.00 0.00 C ATOM 443 O THR A 32 5.038 -4.380 -4.558 1.00 0.00 O ATOM 444 CB THR A 32 3.444 -5.987 -2.524 1.00 0.00 C ATOM 445 OG1 THR A 32 4.844 -5.948 -2.303 1.00 0.00 O ATOM 446 CG2 THR A 32 3.133 -7.491 -2.617 1.00 0.00 C ATOM 0 H THR A 32 3.352 -6.861 -4.862 1.00 0.00 H new ATOM 0 HA THR A 32 2.023 -4.653 -3.377 1.00 0.00 H new ATOM 0 HB THR A 32 2.901 -5.499 -1.715 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.266 -5.374 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.527 -7.999 -1.737 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.054 -7.637 -2.668 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.598 -7.904 -3.512 1.00 0.00 H new ATOM 454 N THR A 33 3.475 -2.794 -4.284 1.00 0.00 N ATOM 455 CA THR A 33 4.352 -1.715 -4.702 1.00 0.00 C ATOM 456 C THR A 33 3.814 -0.410 -4.118 1.00 0.00 C ATOM 457 O THR A 33 2.606 -0.261 -3.939 1.00 0.00 O ATOM 458 CB THR A 33 4.439 -1.701 -6.252 1.00 0.00 C ATOM 459 OG1 THR A 33 4.626 -0.387 -6.752 1.00 0.00 O ATOM 460 CG2 THR A 33 3.250 -2.373 -6.984 1.00 0.00 C ATOM 0 H THR A 33 2.531 -2.496 -4.040 1.00 0.00 H new ATOM 0 HA THR A 33 5.368 -1.851 -4.332 1.00 0.00 H new ATOM 0 HB THR A 33 5.314 -2.313 -6.471 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.837 -0.428 -7.708 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.404 -2.311 -8.061 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.184 -3.419 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.324 -1.861 -6.720 1.00 0.00 H new ATOM 468 N ILE A 34 4.712 0.525 -3.799 1.00 0.00 N ATOM 469 CA ILE A 34 4.344 1.821 -3.230 1.00 0.00 C ATOM 470 C ILE A 34 3.853 2.793 -4.304 1.00 0.00 C ATOM 471 O ILE A 34 2.773 3.372 -4.222 1.00 0.00 O ATOM 472 CB ILE A 34 5.457 2.414 -2.340 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.155 1.348 -1.461 1.00 0.00 C ATOM 474 CG2 ILE A 34 4.804 3.496 -1.467 1.00 0.00 C ATOM 475 CD1 ILE A 34 6.872 1.894 -0.214 1.00 0.00 C ATOM 0 H ILE A 34 5.716 0.403 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 34 3.499 1.648 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 34 6.242 2.830 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.410 0.619 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.882 0.814 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.557 3.944 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.370 4.266 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.021 3.047 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.328 1.069 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.645 2.599 -0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.151 2.401 0.428 1.00 0.00 H new ATOM 487 N TYR A 35 4.660 2.940 -5.351 1.00 0.00 N ATOM 488 CA TYR A 35 4.447 3.821 -6.491 1.00 0.00 C ATOM 489 C TYR A 35 3.123 3.552 -7.174 1.00 0.00 C ATOM 490 O TYR A 35 2.613 4.402 -7.904 1.00 0.00 O ATOM 491 CB TYR A 35 5.576 3.601 -7.509 1.00 0.00 C ATOM 492 CG TYR A 35 6.950 3.514 -6.885 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.452 2.265 -6.468 1.00 0.00 C ATOM 494 CD2 TYR A 35 7.686 4.688 -6.652 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.680 2.194 -5.795 1.00 0.00 C ATOM 496 CE2 TYR A 35 8.939 4.617 -6.026 1.00 0.00 C ATOM 497 CZ TYR A 35 9.436 3.372 -5.586 1.00 0.00 C ATOM 498 OH TYR A 35 10.613 3.303 -4.910 1.00 0.00 O ATOM 0 H TYR A 35 5.531 2.415 -5.429 1.00 0.00 H new ATOM 0 HA TYR A 35 4.440 4.847 -6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.380 2.683 -8.063 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.566 4.417 -8.231 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.891 1.363 -6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.287 5.645 -6.955 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.048 1.244 -5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.523 5.514 -5.881 1.00 0.00 H new ATOM 0 HH TYR A 35 11.010 4.197 -4.852 1.00 0.00 H new ATOM 508 N GLN A 36 2.601 2.342 -7.007 1.00 0.00 N ATOM 509 CA GLN A 36 1.346 1.961 -7.613 1.00 0.00 C ATOM 510 C GLN A 36 0.182 2.350 -6.723 1.00 0.00 C ATOM 511 O GLN A 36 -0.794 2.876 -7.253 1.00 0.00 O ATOM 512 CB GLN A 36 1.351 0.476 -7.931 1.00 0.00 C ATOM 513 CG GLN A 36 2.189 0.114 -9.166 1.00 0.00 C ATOM 514 CD GLN A 36 1.745 0.786 -10.468 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.663 1.358 -10.608 1.00 0.00 O ATOM 516 NE2 GLN A 36 2.614 0.789 -11.458 1.00 0.00 N ATOM 0 H GLN A 36 3.038 1.607 -6.450 1.00 0.00 H new ATOM 0 HA GLN A 36 1.223 2.500 -8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.735 -0.070 -7.069 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.325 0.143 -8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.228 0.381 -8.973 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.158 -0.967 -9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.512 0.318 -11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.389 1.263 -12.333 1.00 0.00 H new ATOM 525 N ILE A 37 0.246 2.134 -5.403 1.00 0.00 N ATOM 526 CA ILE A 37 -0.871 2.531 -4.548 1.00 0.00 C ATOM 527 C ILE A 37 -1.082 4.048 -4.599 1.00 0.00 C ATOM 528 O ILE A 37 -2.198 4.500 -4.359 1.00 0.00 O ATOM 529 CB ILE A 37 -0.783 1.986 -3.117 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.553 2.295 -2.432 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.137 0.489 -3.124 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.543 2.036 -0.926 1.00 0.00 C ATOM 0 H ILE A 37 1.033 1.701 -4.920 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.763 2.058 -4.958 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.516 2.508 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.335 1.690 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.811 3.339 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.076 0.096 -2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.150 0.356 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.436 -0.048 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.521 2.276 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.216 2.660 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.317 0.986 -0.739 1.00 0.00 H new ATOM 544 N GLU A 38 -0.066 4.843 -4.945 1.00 0.00 N ATOM 545 CA GLU A 38 -0.238 6.288 -5.052 1.00 0.00 C ATOM 546 C GLU A 38 -1.126 6.630 -6.262 1.00 0.00 C ATOM 547 O GLU A 38 -1.647 7.744 -6.325 1.00 0.00 O ATOM 548 CB GLU A 38 1.123 6.984 -5.175 1.00 0.00 C ATOM 549 CG GLU A 38 1.775 7.157 -3.798 1.00 0.00 C ATOM 550 CD GLU A 38 3.159 7.792 -3.909 1.00 0.00 C ATOM 551 OE1 GLU A 38 3.319 8.802 -4.635 1.00 0.00 O ATOM 552 OE2 GLU A 38 4.109 7.243 -3.300 1.00 0.00 O ATOM 0 H GLU A 38 0.876 4.511 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.727 6.647 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.778 6.399 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.996 7.958 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.138 7.778 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.857 6.186 -3.309 1.00 0.00 H new ATOM 559 N HIS A 39 -1.319 5.704 -7.214 1.00 0.00 N ATOM 560 CA HIS A 39 -2.138 5.899 -8.409 1.00 0.00 C ATOM 561 C HIS A 39 -3.376 4.994 -8.450 1.00 0.00 C ATOM 562 O HIS A 39 -4.345 5.348 -9.127 1.00 0.00 O ATOM 563 CB HIS A 39 -1.264 5.707 -9.656 1.00 0.00 C ATOM 564 CG HIS A 39 -0.055 6.612 -9.693 1.00 0.00 C ATOM 565 ND1 HIS A 39 1.174 6.311 -10.227 1.00 0.00 N ATOM 566 CD2 HIS A 39 0.039 7.853 -9.133 1.00 0.00 C ATOM 567 CE1 HIS A 39 1.997 7.343 -9.980 1.00 0.00 C ATOM 568 NE2 HIS A 39 1.347 8.315 -9.314 1.00 0.00 N ATOM 0 H HIS A 39 -0.897 4.777 -7.168 1.00 0.00 H new ATOM 0 HA HIS A 39 -2.525 6.918 -8.383 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.932 4.670 -9.701 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.869 5.887 -10.545 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.758 8.386 -8.636 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.035 7.387 -10.275 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.730 9.208 -9.004 1.00 0.00 H new ATOM 576 N TYR A 40 -3.380 3.872 -7.732 1.00 0.00 N ATOM 577 CA TYR A 40 -4.502 2.939 -7.670 1.00 0.00 C ATOM 578 C TYR A 40 -5.576 3.542 -6.758 1.00 0.00 C ATOM 579 O TYR A 40 -5.249 4.280 -5.825 1.00 0.00 O ATOM 580 CB TYR A 40 -4.042 1.559 -7.147 1.00 0.00 C ATOM 581 CG TYR A 40 -3.469 0.611 -8.192 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.223 -0.045 -8.014 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.261 0.287 -9.316 1.00 0.00 C ATOM 584 CE1 TYR A 40 -1.793 -0.977 -8.972 1.00 0.00 C ATOM 585 CE2 TYR A 40 -3.816 -0.643 -10.272 1.00 0.00 C ATOM 586 CZ TYR A 40 -2.555 -1.254 -10.120 1.00 0.00 C ATOM 587 OH TYR A 40 -2.064 -2.107 -11.055 1.00 0.00 O ATOM 0 H TYR A 40 -2.584 3.580 -7.164 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.911 2.783 -8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.289 1.717 -6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.891 1.071 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.612 0.171 -7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.223 0.761 -9.443 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.856 -1.493 -8.823 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.438 -0.888 -11.120 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.709 -2.196 -11.788 1.00 0.00 H new ATOM 597 N SER A 41 -6.848 3.213 -6.978 1.00 0.00 N ATOM 598 CA SER A 41 -7.969 3.722 -6.186 1.00 0.00 C ATOM 599 C SER A 41 -8.634 2.598 -5.402 1.00 0.00 C ATOM 600 O SER A 41 -8.316 1.422 -5.582 1.00 0.00 O ATOM 601 CB SER A 41 -8.976 4.414 -7.114 1.00 0.00 C ATOM 602 OG SER A 41 -8.403 5.578 -7.658 1.00 0.00 O ATOM 0 H SER A 41 -7.134 2.576 -7.722 1.00 0.00 H new ATOM 0 HA SER A 41 -7.595 4.448 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.272 3.736 -7.914 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.880 4.668 -6.560 1.00 0.00 H new ATOM 0 HG SER A 41 -9.050 6.015 -8.251 1.00 0.00 H new ATOM 608 N MET A 42 -9.609 2.971 -4.564 1.00 0.00 N ATOM 609 CA MET A 42 -10.377 2.076 -3.703 1.00 0.00 C ATOM 610 C MET A 42 -10.944 0.862 -4.448 1.00 0.00 C ATOM 611 O MET A 42 -11.069 -0.206 -3.849 1.00 0.00 O ATOM 612 CB MET A 42 -11.485 2.882 -2.995 1.00 0.00 C ATOM 613 CG MET A 42 -12.748 3.134 -3.835 1.00 0.00 C ATOM 614 SD MET A 42 -13.984 4.187 -3.024 1.00 0.00 S ATOM 615 CE MET A 42 -13.360 5.828 -3.493 1.00 0.00 C ATOM 0 H MET A 42 -9.893 3.946 -4.467 1.00 0.00 H new ATOM 0 HA MET A 42 -9.698 1.661 -2.958 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.772 2.354 -2.086 1.00 0.00 H new ATOM 0 HB3 MET A 42 -11.074 3.844 -2.689 1.00 0.00 H new ATOM 0 HG2 MET A 42 -12.457 3.596 -4.779 1.00 0.00 H new ATOM 0 HG3 MET A 42 -13.207 2.175 -4.077 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.008 6.597 -3.074 1.00 0.00 H new ATOM 0 HE2 MET A 42 -12.348 5.956 -3.108 1.00 0.00 H new ATOM 0 HE3 MET A 42 -13.348 5.916 -4.579 1.00 0.00 H new ATOM 625 N ASP A 43 -11.259 1.026 -5.732 1.00 0.00 N ATOM 626 CA ASP A 43 -11.806 0.012 -6.623 1.00 0.00 C ATOM 627 C ASP A 43 -10.814 -1.119 -6.871 1.00 0.00 C ATOM 628 O ASP A 43 -11.204 -2.287 -6.951 1.00 0.00 O ATOM 629 CB ASP A 43 -12.167 0.664 -7.963 1.00 0.00 C ATOM 630 CG ASP A 43 -13.505 1.382 -7.894 1.00 0.00 C ATOM 631 OD1 ASP A 43 -14.502 0.795 -8.367 1.00 0.00 O ATOM 632 OD2 ASP A 43 -13.533 2.499 -7.328 1.00 0.00 O ATOM 0 H ASP A 43 -11.131 1.922 -6.202 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.690 -0.413 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.388 1.372 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.202 -0.098 -8.741 1.00 0.00 H new ATOM 637 N ASP A 44 -9.536 -0.787 -7.066 1.00 0.00 N ATOM 638 CA ASP A 44 -8.515 -1.804 -7.296 1.00 0.00 C ATOM 639 C ASP A 44 -8.195 -2.471 -5.984 1.00 0.00 C ATOM 640 O ASP A 44 -8.132 -3.692 -5.923 1.00 0.00 O ATOM 641 CB ASP A 44 -7.247 -1.241 -7.893 1.00 0.00 C ATOM 642 CG ASP A 44 -6.288 -2.390 -8.239 1.00 0.00 C ATOM 643 OD1 ASP A 44 -6.710 -3.324 -8.971 1.00 0.00 O ATOM 644 OD2 ASP A 44 -5.129 -2.339 -7.781 1.00 0.00 O ATOM 0 H ASP A 44 -9.188 0.172 -7.069 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.916 -2.517 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.479 -0.665 -8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.773 -0.558 -7.188 1.00 0.00 H new ATOM 649 N LEU A 45 -8.062 -1.674 -4.917 1.00 0.00 N ATOM 650 CA LEU A 45 -7.785 -2.222 -3.597 1.00 0.00 C ATOM 651 C LEU A 45 -8.881 -3.254 -3.289 1.00 0.00 C ATOM 652 O LEU A 45 -8.601 -4.327 -2.760 1.00 0.00 O ATOM 653 CB LEU A 45 -7.782 -1.124 -2.515 1.00 0.00 C ATOM 654 CG LEU A 45 -6.822 0.069 -2.684 1.00 0.00 C ATOM 655 CD1 LEU A 45 -6.879 0.955 -1.434 1.00 0.00 C ATOM 656 CD2 LEU A 45 -5.377 -0.351 -2.933 1.00 0.00 C ATOM 0 H LEU A 45 -8.142 -0.658 -4.947 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.796 -2.680 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.795 -0.727 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.556 -1.599 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.155 0.616 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.199 1.799 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.895 1.324 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.583 0.373 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.754 0.537 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.020 -0.943 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.323 -0.947 -3.844 1.00 0.00 H new ATOM 668 N ALA A 46 -10.133 -2.937 -3.640 1.00 0.00 N ATOM 669 CA ALA A 46 -11.260 -3.836 -3.390 1.00 0.00 C ATOM 670 C ALA A 46 -11.087 -5.118 -4.199 1.00 0.00 C ATOM 671 O ALA A 46 -11.274 -6.219 -3.678 1.00 0.00 O ATOM 672 CB ALA A 46 -12.593 -3.165 -3.725 1.00 0.00 C ATOM 0 H ALA A 46 -10.389 -2.063 -4.099 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.274 -4.082 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.410 -3.860 -3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.717 -2.275 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.603 -2.882 -4.778 1.00 0.00 H new ATOM 678 N SER A 47 -10.744 -4.971 -5.478 1.00 0.00 N ATOM 679 CA SER A 47 -10.522 -6.075 -6.391 1.00 0.00 C ATOM 680 C SER A 47 -9.443 -7.008 -5.838 1.00 0.00 C ATOM 681 O SER A 47 -9.632 -8.227 -5.815 1.00 0.00 O ATOM 682 CB SER A 47 -10.192 -5.477 -7.765 1.00 0.00 C ATOM 683 OG SER A 47 -9.925 -6.437 -8.764 1.00 0.00 O ATOM 0 H SER A 47 -10.611 -4.057 -5.911 1.00 0.00 H new ATOM 0 HA SER A 47 -11.408 -6.700 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.027 -4.855 -8.088 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.326 -4.822 -7.665 1.00 0.00 H new ATOM 0 HG SER A 47 -9.725 -5.983 -9.609 1.00 0.00 H new ATOM 689 N LEU A 48 -8.355 -6.447 -5.309 1.00 0.00 N ATOM 690 CA LEU A 48 -7.210 -7.141 -4.732 1.00 0.00 C ATOM 691 C LEU A 48 -7.514 -7.687 -3.329 1.00 0.00 C ATOM 692 O LEU A 48 -6.617 -7.794 -2.490 1.00 0.00 O ATOM 693 CB LEU A 48 -6.002 -6.196 -4.720 1.00 0.00 C ATOM 694 CG LEU A 48 -5.563 -5.696 -6.110 1.00 0.00 C ATOM 695 CD1 LEU A 48 -4.498 -4.643 -5.875 1.00 0.00 C ATOM 696 CD2 LEU A 48 -4.994 -6.768 -7.030 1.00 0.00 C ATOM 0 H LEU A 48 -8.246 -5.434 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.980 -8.008 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.238 -5.334 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.162 -6.708 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.451 -5.321 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.152 -4.255 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.916 -3.829 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.659 -5.087 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.714 -6.319 -7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.114 -7.215 -6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.746 -7.539 -7.199 1.00 0.00 H new ATOM 708 N LYS A 49 -8.779 -8.021 -3.057 1.00 0.00 N ATOM 709 CA LYS A 49 -9.308 -8.584 -1.818 1.00 0.00 C ATOM 710 C LYS A 49 -9.237 -7.687 -0.588 1.00 0.00 C ATOM 711 O LYS A 49 -9.505 -8.198 0.496 1.00 0.00 O ATOM 712 CB LYS A 49 -8.636 -9.960 -1.562 1.00 0.00 C ATOM 713 CG LYS A 49 -9.359 -11.076 -2.313 1.00 0.00 C ATOM 714 CD LYS A 49 -10.569 -11.569 -1.516 1.00 0.00 C ATOM 715 CE LYS A 49 -10.086 -12.514 -0.408 1.00 0.00 C ATOM 716 NZ LYS A 49 -11.141 -12.814 0.573 1.00 0.00 N ATOM 0 H LYS A 49 -9.514 -7.894 -3.753 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.381 -8.696 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.593 -9.923 -1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.639 -10.176 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.683 -10.714 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.673 -11.904 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.104 -10.724 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.268 -12.086 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.734 -13.444 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.235 -12.065 0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.766 -13.456 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.460 -11.931 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.944 -13.268 0.092 1.00 0.00 H new ATOM 730 N ILE A 50 -8.927 -6.399 -0.698 1.00 0.00 N ATOM 731 CA ILE A 50 -8.809 -5.493 0.451 1.00 0.00 C ATOM 732 C ILE A 50 -10.186 -4.918 0.865 1.00 0.00 C ATOM 733 O ILE A 50 -10.680 -4.018 0.184 1.00 0.00 O ATOM 734 CB ILE A 50 -7.760 -4.395 0.148 1.00 0.00 C ATOM 735 CG1 ILE A 50 -6.477 -4.953 -0.520 1.00 0.00 C ATOM 736 CG2 ILE A 50 -7.346 -3.735 1.461 1.00 0.00 C ATOM 737 CD1 ILE A 50 -5.384 -3.910 -0.760 1.00 0.00 C ATOM 0 H ILE A 50 -8.748 -5.946 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.454 -6.056 1.315 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.225 -3.692 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.072 -5.748 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.746 -5.405 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.607 -2.959 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.220 -3.290 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.915 -4.484 2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.524 -4.386 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.767 -3.126 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.082 -3.474 0.192 1.00 0.00 H new ATOM 749 N PRO A 51 -10.819 -5.378 1.968 1.00 0.00 N ATOM 750 CA PRO A 51 -12.117 -4.865 2.412 1.00 0.00 C ATOM 751 C PRO A 51 -11.955 -3.522 3.128 1.00 0.00 C ATOM 752 O PRO A 51 -10.887 -3.228 3.668 1.00 0.00 O ATOM 753 CB PRO A 51 -12.642 -5.918 3.386 1.00 0.00 C ATOM 754 CG PRO A 51 -11.362 -6.438 4.032 1.00 0.00 C ATOM 755 CD PRO A 51 -10.369 -6.423 2.881 1.00 0.00 C ATOM 0 HA PRO A 51 -12.794 -4.696 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.322 -5.487 4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.188 -6.709 2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.037 -5.800 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.493 -7.441 4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.360 -6.218 3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.339 -7.391 2.380 1.00 0.00 H new ATOM 763 N GLU A 52 -13.022 -2.725 3.229 1.00 0.00 N ATOM 764 CA GLU A 52 -13.009 -1.409 3.871 1.00 0.00 C ATOM 765 C GLU A 52 -12.514 -1.411 5.318 1.00 0.00 C ATOM 766 O GLU A 52 -11.929 -0.412 5.744 1.00 0.00 O ATOM 767 CB GLU A 52 -14.340 -0.674 3.689 1.00 0.00 C ATOM 768 CG GLU A 52 -15.458 -1.083 4.650 1.00 0.00 C ATOM 769 CD GLU A 52 -15.767 -2.580 4.638 1.00 0.00 C ATOM 770 OE1 GLU A 52 -15.949 -3.156 5.735 1.00 0.00 O ATOM 771 OE2 GLU A 52 -15.829 -3.177 3.542 1.00 0.00 O ATOM 0 H GLU A 52 -13.937 -2.982 2.859 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.251 -0.834 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.162 0.396 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.686 -0.834 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.181 -0.787 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.363 -0.533 4.394 1.00 0.00 H new ATOM 778 N GLN A 53 -12.663 -2.524 6.051 1.00 0.00 N ATOM 779 CA GLN A 53 -12.211 -2.644 7.440 1.00 0.00 C ATOM 780 C GLN A 53 -10.701 -2.384 7.577 1.00 0.00 C ATOM 781 O GLN A 53 -10.230 -1.984 8.640 1.00 0.00 O ATOM 782 CB GLN A 53 -12.599 -4.024 8.007 1.00 0.00 C ATOM 783 CG GLN A 53 -11.665 -5.192 7.641 1.00 0.00 C ATOM 784 CD GLN A 53 -12.402 -6.501 7.354 1.00 0.00 C ATOM 785 OE1 GLN A 53 -13.279 -6.552 6.496 1.00 0.00 O ATOM 786 NE2 GLN A 53 -12.010 -7.603 7.974 1.00 0.00 N ATOM 0 H GLN A 53 -13.104 -3.371 5.692 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.714 -1.875 8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.645 -3.948 9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.604 -4.267 7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.078 -4.916 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.961 -5.353 8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.281 -7.556 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.437 -8.499 7.740 1.00 0.00 H new ATOM 795 N PHE A 54 -9.953 -2.566 6.484 1.00 0.00 N ATOM 796 CA PHE A 54 -8.515 -2.385 6.419 1.00 0.00 C ATOM 797 C PHE A 54 -8.106 -1.465 5.263 1.00 0.00 C ATOM 798 O PHE A 54 -7.151 -0.707 5.406 1.00 0.00 O ATOM 799 CB PHE A 54 -7.881 -3.775 6.322 1.00 0.00 C ATOM 800 CG PHE A 54 -6.415 -3.733 5.976 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.042 -3.653 4.626 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.439 -3.690 6.983 1.00 0.00 C ATOM 803 CE1 PHE A 54 -4.690 -3.511 4.272 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.088 -3.548 6.631 1.00 0.00 C ATOM 805 CZ PHE A 54 -3.710 -3.451 5.279 1.00 0.00 C ATOM 0 H PHE A 54 -10.355 -2.854 5.592 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.155 -1.882 7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.009 -4.293 7.272 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.410 -4.357 5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.797 -3.701 3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.725 -3.766 8.022 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.405 -3.448 3.232 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.333 -3.513 7.403 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.670 -3.331 5.015 1.00 0.00 H new ATOM 815 N ARG A 55 -8.823 -1.468 4.135 1.00 0.00 N ATOM 816 CA ARG A 55 -8.561 -0.655 2.946 1.00 0.00 C ATOM 817 C ARG A 55 -8.411 0.817 3.310 1.00 0.00 C ATOM 818 O ARG A 55 -7.559 1.493 2.740 1.00 0.00 O ATOM 819 CB ARG A 55 -9.672 -0.910 1.920 1.00 0.00 C ATOM 820 CG ARG A 55 -9.525 -0.161 0.592 1.00 0.00 C ATOM 821 CD ARG A 55 -10.695 -0.416 -0.373 1.00 0.00 C ATOM 822 NE ARG A 55 -11.967 0.141 0.116 1.00 0.00 N ATOM 823 CZ ARG A 55 -13.105 0.258 -0.581 1.00 0.00 C ATOM 824 NH1 ARG A 55 -13.161 -0.064 -1.869 1.00 0.00 N ATOM 825 NH2 ARG A 55 -14.191 0.725 0.022 1.00 0.00 N ATOM 0 H ARG A 55 -9.641 -2.067 4.022 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.611 -0.943 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.713 -1.979 1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.627 -0.636 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.451 0.908 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.593 -0.462 0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.461 0.021 -1.344 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.808 -1.489 -0.525 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.983 0.470 1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.327 -0.408 -2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.038 0.033 -2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.154 0.991 1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.063 0.818 -0.499 1.00 0.00 H new ATOM 839 N HIS A 56 -9.205 1.319 4.257 1.00 0.00 N ATOM 840 CA HIS A 56 -9.085 2.711 4.657 1.00 0.00 C ATOM 841 C HIS A 56 -7.718 2.964 5.300 1.00 0.00 C ATOM 842 O HIS A 56 -7.170 4.036 5.112 1.00 0.00 O ATOM 843 CB HIS A 56 -10.222 3.085 5.625 1.00 0.00 C ATOM 844 CG HIS A 56 -10.228 4.533 6.066 1.00 0.00 C ATOM 845 ND1 HIS A 56 -10.473 5.008 7.339 1.00 0.00 N ATOM 846 CD2 HIS A 56 -10.035 5.623 5.259 1.00 0.00 C ATOM 847 CE1 HIS A 56 -10.442 6.351 7.287 1.00 0.00 C ATOM 848 NE2 HIS A 56 -10.181 6.774 6.038 1.00 0.00 N ATOM 0 H HIS A 56 -9.924 0.789 4.750 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.167 3.341 3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.176 2.861 5.147 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.152 2.451 6.509 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.809 5.597 4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.605 7.002 8.134 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.105 7.741 5.722 1.00 0.00 H new ATOM 856 N ALA A 57 -7.141 2.002 6.023 1.00 0.00 N ATOM 857 CA ALA A 57 -5.863 2.141 6.700 1.00 0.00 C ATOM 858 C ALA A 57 -4.710 2.291 5.713 1.00 0.00 C ATOM 859 O ALA A 57 -3.889 3.203 5.842 1.00 0.00 O ATOM 860 CB ALA A 57 -5.659 0.927 7.608 1.00 0.00 C ATOM 0 H ALA A 57 -7.566 1.084 6.153 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.874 3.052 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.703 1.015 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.465 0.881 8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.664 0.018 7.007 1.00 0.00 H new ATOM 866 N ILE A 58 -4.633 1.375 4.739 1.00 0.00 N ATOM 867 CA ILE A 58 -3.599 1.378 3.713 1.00 0.00 C ATOM 868 C ILE A 58 -3.690 2.665 2.903 1.00 0.00 C ATOM 869 O ILE A 58 -2.698 3.394 2.782 1.00 0.00 O ATOM 870 CB ILE A 58 -3.690 0.113 2.808 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.936 0.333 1.472 1.00 0.00 C ATOM 872 CG2 ILE A 58 -5.105 -0.369 2.460 1.00 0.00 C ATOM 873 CD1 ILE A 58 -2.772 -0.912 0.599 1.00 0.00 C ATOM 0 H ILE A 58 -5.297 0.606 4.646 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.622 1.342 4.195 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.233 -0.662 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.465 1.093 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.947 0.733 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.042 -1.254 1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.641 -0.615 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.638 0.420 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.232 -0.650 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.213 -1.670 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.754 -1.305 0.337 1.00 0.00 H new ATOM 885 N TRP A 59 -4.885 2.928 2.376 1.00 0.00 N ATOM 886 CA TRP A 59 -5.135 4.080 1.547 1.00 0.00 C ATOM 887 C TRP A 59 -4.832 5.362 2.298 1.00 0.00 C ATOM 888 O TRP A 59 -3.981 6.132 1.864 1.00 0.00 O ATOM 889 CB TRP A 59 -6.549 4.013 0.963 1.00 0.00 C ATOM 890 CG TRP A 59 -6.682 4.831 -0.274 1.00 0.00 C ATOM 891 CD1 TRP A 59 -6.079 4.547 -1.446 1.00 0.00 C ATOM 892 CD2 TRP A 59 -7.291 6.137 -0.449 1.00 0.00 C ATOM 893 NE1 TRP A 59 -6.305 5.570 -2.347 1.00 0.00 N ATOM 894 CE2 TRP A 59 -7.044 6.584 -1.777 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.958 7.015 0.420 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.450 7.850 -2.223 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.389 8.282 -0.016 1.00 0.00 C ATOM 898 CH2 TRP A 59 -8.129 8.702 -1.333 1.00 0.00 C ATOM 0 H TRP A 59 -5.704 2.337 2.520 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.455 4.077 0.695 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.800 2.976 0.740 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.265 4.362 1.707 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.506 3.655 -1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.968 5.574 -3.310 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.144 6.713 1.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -7.244 8.166 -3.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.921 8.933 0.662 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.451 9.679 -1.661 1.00 0.00 H new ATOM 909 N LYS A 60 -5.468 5.580 3.449 1.00 0.00 N ATOM 910 CA LYS A 60 -5.246 6.779 4.240 1.00 0.00 C ATOM 911 C LYS A 60 -3.775 6.919 4.610 1.00 0.00 C ATOM 912 O LYS A 60 -3.260 8.027 4.567 1.00 0.00 O ATOM 913 CB LYS A 60 -6.140 6.745 5.487 1.00 0.00 C ATOM 914 CG LYS A 60 -6.176 8.096 6.190 1.00 0.00 C ATOM 915 CD LYS A 60 -6.949 8.027 7.508 1.00 0.00 C ATOM 916 CE LYS A 60 -7.098 9.428 8.099 1.00 0.00 C ATOM 917 NZ LYS A 60 -5.804 10.018 8.494 1.00 0.00 N ATOM 0 H LYS A 60 -6.145 4.933 3.852 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.513 7.654 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.152 6.456 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.774 5.985 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.158 8.433 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.638 8.835 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.932 7.588 7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.427 7.380 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.581 10.077 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.753 9.384 8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.953 10.992 8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.384 9.453 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.162 10.025 7.676 1.00 0.00 H new ATOM 931 N GLY A 61 -3.077 5.831 4.947 1.00 0.00 N ATOM 932 CA GLY A 61 -1.672 5.903 5.320 1.00 0.00 C ATOM 933 C GLY A 61 -0.809 6.497 4.214 1.00 0.00 C ATOM 934 O GLY A 61 -0.028 7.423 4.465 1.00 0.00 O ATOM 0 H GLY A 61 -3.469 4.889 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.568 6.506 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.311 4.903 5.562 1.00 0.00 H new ATOM 938 N ILE A 62 -0.944 5.979 2.992 1.00 0.00 N ATOM 939 CA ILE A 62 -0.141 6.468 1.878 1.00 0.00 C ATOM 940 C ILE A 62 -0.608 7.820 1.399 1.00 0.00 C ATOM 941 O ILE A 62 0.225 8.662 1.089 1.00 0.00 O ATOM 942 CB ILE A 62 -0.052 5.429 0.757 1.00 0.00 C ATOM 943 CG1 ILE A 62 1.263 5.575 -0.041 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.245 5.393 -0.215 1.00 0.00 C ATOM 945 CD1 ILE A 62 2.523 5.182 0.743 1.00 0.00 C ATOM 0 H ILE A 62 -1.594 5.230 2.753 1.00 0.00 H new ATOM 0 HA ILE A 62 0.876 6.617 2.240 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.075 4.476 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.200 4.959 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.362 6.609 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.078 4.622 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.158 5.169 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.345 6.362 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.401 5.314 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.614 5.814 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.450 4.139 1.050 1.00 0.00 H new ATOM 957 N LEU A 63 -1.923 8.036 1.365 1.00 0.00 N ATOM 958 CA LEU A 63 -2.456 9.320 0.939 1.00 0.00 C ATOM 959 C LEU A 63 -1.993 10.380 1.927 1.00 0.00 C ATOM 960 O LEU A 63 -1.759 11.518 1.544 1.00 0.00 O ATOM 961 CB LEU A 63 -3.988 9.289 0.857 1.00 0.00 C ATOM 962 CG LEU A 63 -4.553 8.966 -0.534 1.00 0.00 C ATOM 963 CD1 LEU A 63 -4.435 10.180 -1.456 1.00 0.00 C ATOM 964 CD2 LEU A 63 -3.909 7.751 -1.210 1.00 0.00 C ATOM 0 H LEU A 63 -2.627 7.345 1.625 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.088 9.552 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.361 8.549 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.374 10.258 1.175 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.599 8.710 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.840 9.933 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.994 11.014 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.386 10.460 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.366 7.593 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.840 7.927 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.062 6.867 -0.591 1.00 0.00 H new ATOM 976 N ASP A 64 -1.842 10.018 3.200 1.00 0.00 N ATOM 977 CA ASP A 64 -1.407 10.965 4.232 1.00 0.00 C ATOM 978 C ASP A 64 0.072 11.269 4.027 1.00 0.00 C ATOM 979 O ASP A 64 0.517 12.402 4.180 1.00 0.00 O ATOM 980 CB ASP A 64 -1.621 10.418 5.658 1.00 0.00 C ATOM 981 CG ASP A 64 -3.044 10.521 6.224 1.00 0.00 C ATOM 982 OD1 ASP A 64 -3.317 9.820 7.235 1.00 0.00 O ATOM 983 OD2 ASP A 64 -3.867 11.344 5.758 1.00 0.00 O ATOM 0 H ASP A 64 -2.014 9.074 3.545 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.010 11.868 4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.324 9.369 5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.947 10.947 6.331 1.00 0.00 H new ATOM 988 N HIS A 65 0.843 10.236 3.694 1.00 0.00 N ATOM 989 CA HIS A 65 2.273 10.313 3.467 1.00 0.00 C ATOM 990 C HIS A 65 2.530 11.214 2.266 1.00 0.00 C ATOM 991 O HIS A 65 3.218 12.218 2.407 1.00 0.00 O ATOM 992 CB HIS A 65 2.836 8.897 3.297 1.00 0.00 C ATOM 993 CG HIS A 65 4.295 8.838 2.941 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.356 9.177 3.755 1.00 0.00 N ATOM 995 CD2 HIS A 65 4.803 8.350 1.769 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.489 8.905 3.088 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.197 8.381 1.888 1.00 0.00 N ATOM 0 H HIS A 65 0.471 9.294 3.572 1.00 0.00 H new ATOM 0 HA HIS A 65 2.790 10.755 4.319 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.680 8.345 4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.266 8.385 2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.237 8.007 0.916 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.487 9.082 3.462 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.869 8.063 1.189 1.00 0.00 H new ATOM 1005 N ARG A 66 1.952 10.902 1.102 1.00 0.00 N ATOM 1006 CA ARG A 66 2.143 11.727 -0.089 1.00 0.00 C ATOM 1007 C ARG A 66 1.562 13.121 0.126 1.00 0.00 C ATOM 1008 O ARG A 66 2.026 14.060 -0.519 1.00 0.00 O ATOM 1009 CB ARG A 66 1.623 11.035 -1.364 1.00 0.00 C ATOM 1010 CG ARG A 66 0.101 10.829 -1.431 1.00 0.00 C ATOM 1011 CD ARG A 66 -0.684 12.002 -2.030 1.00 0.00 C ATOM 1012 NE ARG A 66 -0.570 12.060 -3.497 1.00 0.00 N ATOM 1013 CZ ARG A 66 -1.353 12.796 -4.294 1.00 0.00 C ATOM 1014 NH1 ARG A 66 -2.265 13.617 -3.791 1.00 0.00 N ATOM 1015 NH2 ARG A 66 -1.239 12.695 -5.610 1.00 0.00 N ATOM 0 H ARG A 66 1.352 10.089 0.962 1.00 0.00 H new ATOM 0 HA ARG A 66 3.214 11.853 -0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.931 11.624 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.108 10.063 -1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.104 9.935 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.270 10.639 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.734 11.913 -1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.320 12.936 -1.602 1.00 0.00 H new ATOM 0 HE ARG A 66 0.159 11.498 -3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.379 13.695 -2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.853 14.170 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.555 12.056 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.836 13.256 -6.218 1.00 0.00 H new ATOM 1029 N GLN A 67 0.557 13.284 0.996 1.00 0.00 N ATOM 1030 CA GLN A 67 -0.011 14.599 1.251 1.00 0.00 C ATOM 1031 C GLN A 67 0.888 15.408 2.199 1.00 0.00 C ATOM 1032 O GLN A 67 0.841 16.636 2.148 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.426 14.404 1.808 1.00 0.00 C ATOM 1034 CG GLN A 67 -2.172 15.679 2.179 1.00 0.00 C ATOM 1035 CD GLN A 67 -3.635 15.351 2.472 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -4.511 15.520 1.630 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -3.953 14.824 3.643 1.00 0.00 N ATOM 0 H GLN A 67 0.129 12.525 1.527 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.071 15.177 0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.016 13.862 1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.364 13.771 2.693 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.711 16.141 3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.107 16.400 1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.232 14.679 4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.919 14.562 3.839 1.00 0.00 H new ATOM 1046 N LEU A 68 1.750 14.759 2.996 1.00 0.00 N ATOM 1047 CA LEU A 68 2.636 15.409 3.958 1.00 0.00 C ATOM 1048 C LEU A 68 4.132 15.327 3.637 1.00 0.00 C ATOM 1049 O LEU A 68 4.916 15.905 4.393 1.00 0.00 O ATOM 1050 CB LEU A 68 2.324 14.871 5.370 1.00 0.00 C ATOM 1051 CG LEU A 68 0.969 15.381 5.913 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.510 14.548 7.112 1.00 0.00 C ATOM 1053 CD2 LEU A 68 1.066 16.843 6.366 1.00 0.00 C ATOM 0 H LEU A 68 1.848 13.744 2.985 1.00 0.00 H new ATOM 0 HA LEU A 68 2.425 16.477 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.315 13.781 5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.120 15.168 6.053 1.00 0.00 H new ATOM 0 HG LEU A 68 0.252 15.292 5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.445 14.928 7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.396 13.507 6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.252 14.615 7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.098 17.172 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.811 16.930 7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.358 17.467 5.521 1.00 0.00 H new ATOM 1065 N HIS A 69 4.584 14.674 2.567 1.00 0.00 N ATOM 1066 CA HIS A 69 5.978 14.572 2.193 1.00 0.00 C ATOM 1067 C HIS A 69 6.107 14.914 0.715 1.00 0.00 C ATOM 1068 O HIS A 69 5.280 14.475 -0.090 1.00 0.00 O ATOM 1069 CB HIS A 69 6.458 13.144 2.458 1.00 0.00 C ATOM 1070 CG HIS A 69 7.054 12.923 3.827 1.00 0.00 C ATOM 1071 ND1 HIS A 69 6.909 13.740 4.927 1.00 0.00 N ATOM 1072 CD2 HIS A 69 7.891 11.902 4.180 1.00 0.00 C ATOM 1073 CE1 HIS A 69 7.676 13.247 5.912 1.00 0.00 C ATOM 1074 NE2 HIS A 69 8.247 12.090 5.523 1.00 0.00 N ATOM 0 H HIS A 69 3.962 14.188 1.921 1.00 0.00 H new ATOM 0 HA HIS A 69 6.589 15.262 2.776 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.617 12.463 2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.201 12.880 1.706 1.00 0.00 H new ATOM 0 HD1 HIS A 69 6.322 14.573 4.983 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.219 11.096 3.540 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.815 13.711 6.877 1.00 0.00 H new ATOM 1082 N ASP A 70 7.102 15.718 0.355 1.00 0.00 N ATOM 1083 CA ASP A 70 7.393 16.134 -1.013 1.00 0.00 C ATOM 1084 C ASP A 70 8.887 16.351 -1.087 1.00 0.00 C ATOM 1085 O ASP A 70 9.398 17.132 -0.255 1.00 0.00 O ATOM 1086 CB ASP A 70 6.623 17.394 -1.427 1.00 0.00 C ATOM 1087 CG ASP A 70 6.438 17.442 -2.939 1.00 0.00 C ATOM 1088 OD1 ASP A 70 5.275 17.442 -3.405 1.00 0.00 O ATOM 1089 OD2 ASP A 70 7.420 17.477 -3.710 1.00 0.00 O ATOM 0 H ASP A 70 7.753 16.113 1.034 1.00 0.00 H new ATOM 0 HA ASP A 70 7.068 15.364 -1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.650 17.409 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.162 18.281 -1.094 1.00 0.00 H new TER 1094 ASP A 70