USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 669 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 Single : A 1 ILE N :NH3+ -171:sc= 0.2 (180deg=-0.118) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00087 USER MOD Single : A 10 THR OG1 : rot 100:sc= -0.269 USER MOD Single : A 11 SER OG : rot 180:sc= 0.00904 USER MOD Single : A 12 LYS NZ :NH3+ -120:sc= -1.44 (180deg=-5.85!) USER MOD Single : A 16 ASN : amide:sc= -0.7 X(o=-0.7,f=-1.2) USER MOD Single : A 18 HIS : no HD1:sc= -0.539 X(o=-0.54,f=-0.051) USER MOD Single : A 21 TYR OH : rot 92:sc= -2.01! USER MOD Single : A 22 THR OG1 : rot 64:sc= -2.15! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 140:sc= -0.71 (180deg=-1.57!) USER MOD Single : A 44 THR OG1 : rot 95:sc= -0.391 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.222 (180deg=-0.434) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.013) USER MOD Single : A 58 SER OG : rot 180:sc= -0.151 USER MOD Single : A 59 THR OG1 : rot -52:sc= 0.178 USER MOD Single : A 61 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.5!) USER MOD Single : A 63 ASN : amide:sc= -0.954 K(o=-0.95,f=-4.2!) USER MOD Single : A 67 THR OG1 : rot -26:sc= 0.483 USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00151) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ -139:sc= -1.26 (180deg=-2.98!) USER MOD Single : B 186 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.093) USER MOD Single : B 189 TYR OH : rot 30:sc= -0.424 USER MOD Single : B 190 TYR OH : rot 180:sc= -0.281 USER MOD Single : B 191 THR OG1 : rot -50:sc= 0.0288 USER MOD Single : B 196 THR OG1 : rot 170:sc= -1.43 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 3.587 9.567 6.812 1.00 0.00 N ATOM 2 CA ILE A 1 3.759 10.452 5.631 1.00 0.00 C ATOM 3 C ILE A 1 3.405 9.720 4.342 1.00 0.00 C ATOM 4 O ILE A 1 3.840 8.590 4.120 1.00 0.00 O ATOM 5 CB ILE A 1 5.206 10.973 5.523 1.00 0.00 C ATOM 6 CG1 ILE A 1 5.745 11.360 6.903 1.00 0.00 C ATOM 7 CG2 ILE A 1 5.270 12.158 4.571 1.00 0.00 C ATOM 8 CD1 ILE A 1 4.998 12.510 7.544 1.00 0.00 C ATOM 0 H1 ILE A 1 3.685 10.127 7.683 1.00 0.00 H new ATOM 0 H2 ILE A 1 2.643 9.132 6.785 1.00 0.00 H new ATOM 0 H3 ILE A 1 4.312 8.822 6.796 1.00 0.00 H new ATOM 0 HA ILE A 1 3.084 11.296 5.769 1.00 0.00 H new ATOM 0 HB ILE A 1 5.833 10.175 5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 1 5.693 10.492 7.561 1.00 0.00 H new ATOM 0 HG13 ILE A 1 6.798 11.628 6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 1 6.297 12.516 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.928 11.850 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 1 4.630 12.958 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 1 5.434 12.729 8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 1 5.071 13.392 6.907 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.950 12.239 7.669 1.00 0.00 H new ATOM 22 N ARG A 2 2.614 10.371 3.493 1.00 0.00 N ATOM 23 CA ARG A 2 2.205 9.777 2.223 1.00 0.00 C ATOM 24 C ARG A 2 3.424 9.322 1.426 1.00 0.00 C ATOM 25 O ARG A 2 3.700 8.127 1.325 1.00 0.00 O ATOM 26 CB ARG A 2 1.381 10.776 1.405 1.00 0.00 C ATOM 27 CG ARG A 2 0.229 11.399 2.179 1.00 0.00 C ATOM 28 CD ARG A 2 -0.707 10.340 2.739 1.00 0.00 C ATOM 29 NE ARG A 2 -1.576 9.780 1.707 1.00 0.00 N ATOM 30 CZ ARG A 2 -2.697 10.362 1.285 1.00 0.00 C ATOM 31 NH1 ARG A 2 -3.085 11.523 1.797 1.00 0.00 N ATOM 32 NH2 ARG A 2 -3.431 9.782 0.345 1.00 0.00 N ATOM 0 H ARG A 2 2.244 11.307 3.660 1.00 0.00 H new ATOM 0 HA ARG A 2 1.586 8.906 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.038 11.569 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.984 10.271 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.624 12.005 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.329 12.069 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.121 9.541 3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.317 10.776 3.530 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.308 8.891 1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.524 11.975 2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.945 11.963 1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.137 8.891 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.290 10.227 0.021 1.00 0.00 H new ATOM 46 N CYS A 3 4.158 10.283 0.873 1.00 0.00 N ATOM 47 CA CYS A 3 5.360 9.987 0.098 1.00 0.00 C ATOM 48 C CYS A 3 5.021 9.312 -1.239 1.00 0.00 C ATOM 49 O CYS A 3 5.404 9.806 -2.299 1.00 0.00 O ATOM 50 CB CYS A 3 6.332 9.141 0.946 1.00 0.00 C ATOM 51 SG CYS A 3 6.648 7.447 0.346 1.00 0.00 S ATOM 0 H CYS A 3 3.941 11.277 0.947 1.00 0.00 H new ATOM 0 HA CYS A 3 5.854 10.926 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.284 9.668 1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.938 9.079 1.960 1.00 0.00 H new ATOM 56 N PHE A 4 4.309 8.187 -1.189 1.00 0.00 N ATOM 57 CA PHE A 4 3.936 7.466 -2.404 1.00 0.00 C ATOM 58 C PHE A 4 2.416 7.372 -2.536 1.00 0.00 C ATOM 59 O PHE A 4 1.849 6.282 -2.597 1.00 0.00 O ATOM 60 CB PHE A 4 4.562 6.068 -2.405 1.00 0.00 C ATOM 61 CG PHE A 4 5.238 5.693 -3.700 1.00 0.00 C ATOM 62 CD1 PHE A 4 6.561 6.038 -3.941 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.555 4.975 -4.669 1.00 0.00 C ATOM 64 CE1 PHE A 4 7.184 5.671 -5.119 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.173 4.611 -5.849 1.00 0.00 C ATOM 66 CZ PHE A 4 6.490 4.956 -6.073 1.00 0.00 C ATOM 0 H PHE A 4 3.980 7.757 -0.324 1.00 0.00 H new ATOM 0 HA PHE A 4 4.317 8.020 -3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.291 6.008 -1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.785 5.335 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.110 6.600 -3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.526 4.696 -4.499 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.214 5.944 -5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.625 4.056 -6.597 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.976 4.667 -6.993 1.00 0.00 H new ATOM 76 N ILE A 5 1.773 8.537 -2.586 1.00 0.00 N ATOM 77 CA ILE A 5 0.316 8.642 -2.720 1.00 0.00 C ATOM 78 C ILE A 5 -0.437 7.578 -1.908 1.00 0.00 C ATOM 79 O ILE A 5 -0.825 7.826 -0.767 1.00 0.00 O ATOM 80 CB ILE A 5 -0.152 8.591 -4.203 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.987 8.182 -5.150 1.00 0.00 C ATOM 82 CG2 ILE A 5 -0.718 9.940 -4.621 1.00 0.00 C ATOM 83 CD1 ILE A 5 1.018 6.701 -5.460 1.00 0.00 C ATOM 0 H ILE A 5 2.246 9.439 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 5 0.068 9.621 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.931 7.832 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.889 8.737 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.939 8.471 -4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.042 9.892 -5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.568 10.190 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.051 10.706 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.848 6.488 -6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.147 6.138 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.081 6.409 -5.935 1.00 0.00 H new ATOM 95 N THR A 6 -0.663 6.408 -2.506 1.00 0.00 N ATOM 96 CA THR A 6 -1.396 5.329 -1.843 1.00 0.00 C ATOM 97 C THR A 6 -0.642 4.776 -0.631 1.00 0.00 C ATOM 98 O THR A 6 0.371 4.092 -0.779 1.00 0.00 O ATOM 99 CB THR A 6 -1.675 4.197 -2.834 1.00 0.00 C ATOM 100 OG1 THR A 6 -0.471 3.736 -3.422 1.00 0.00 O ATOM 101 CG2 THR A 6 -2.609 4.599 -3.954 1.00 0.00 C ATOM 0 H THR A 6 -0.348 6.183 -3.450 1.00 0.00 H new ATOM 0 HA THR A 6 -2.335 5.750 -1.485 1.00 0.00 H new ATOM 0 HB THR A 6 -2.153 3.412 -2.248 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.671 3.011 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.764 3.751 -4.620 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.566 4.912 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.171 5.425 -4.514 1.00 0.00 H new ATOM 109 N PRO A 7 -1.135 5.060 0.592 1.00 0.00 N ATOM 110 CA PRO A 7 -0.527 4.595 1.829 1.00 0.00 C ATOM 111 C PRO A 7 -1.195 3.328 2.365 1.00 0.00 C ATOM 112 O PRO A 7 -1.614 3.280 3.522 1.00 0.00 O ATOM 113 CB PRO A 7 -0.792 5.772 2.761 1.00 0.00 C ATOM 114 CG PRO A 7 -2.105 6.338 2.303 1.00 0.00 C ATOM 115 CD PRO A 7 -2.331 5.865 0.881 1.00 0.00 C ATOM 0 HA PRO A 7 0.523 4.326 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.842 5.449 3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.003 6.515 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.914 6.004 2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.090 7.427 2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.243 5.274 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.428 6.703 0.190 1.00 0.00 H new ATOM 123 N ASP A 8 -1.298 2.307 1.516 1.00 0.00 N ATOM 124 CA ASP A 8 -1.924 1.041 1.901 1.00 0.00 C ATOM 125 C ASP A 8 -3.443 1.183 1.962 1.00 0.00 C ATOM 126 O ASP A 8 -3.961 2.246 2.305 1.00 0.00 O ATOM 127 CB ASP A 8 -1.387 0.559 3.253 1.00 0.00 C ATOM 128 CG ASP A 8 -1.072 -0.924 3.254 1.00 0.00 C ATOM 129 OD1 ASP A 8 -1.817 -1.689 2.605 1.00 0.00 O ATOM 130 OD2 ASP A 8 -0.082 -1.320 3.902 1.00 0.00 O ATOM 0 H ASP A 8 -0.956 2.331 0.555 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.674 0.300 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.486 1.119 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.122 0.772 4.030 1.00 0.00 H new ATOM 135 N ILE A 9 -4.152 0.108 1.617 1.00 0.00 N ATOM 136 CA ILE A 9 -5.615 0.115 1.622 1.00 0.00 C ATOM 137 C ILE A 9 -6.158 1.372 0.930 1.00 0.00 C ATOM 138 O ILE A 9 -6.294 1.406 -0.293 1.00 0.00 O ATOM 139 CB ILE A 9 -6.180 0.010 3.055 1.00 0.00 C ATOM 140 CG1 ILE A 9 -5.841 -1.357 3.650 1.00 0.00 C ATOM 141 CG2 ILE A 9 -7.690 0.233 3.058 1.00 0.00 C ATOM 142 CD1 ILE A 9 -5.354 -1.290 5.081 1.00 0.00 C ATOM 0 H ILE A 9 -3.737 -0.779 1.331 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.944 -0.762 1.065 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.722 0.786 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.725 -1.993 3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.075 -1.832 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.067 0.155 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.912 1.225 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.170 -0.521 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.133 -2.296 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.451 -0.681 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.127 -0.845 5.708 1.00 0.00 H new ATOM 154 N THR A 10 -6.465 2.401 1.720 1.00 0.00 N ATOM 155 CA THR A 10 -6.990 3.650 1.180 1.00 0.00 C ATOM 156 C THR A 10 -6.235 4.850 1.744 1.00 0.00 C ATOM 157 O THR A 10 -5.554 5.566 1.011 1.00 0.00 O ATOM 158 CB THR A 10 -8.481 3.779 1.497 1.00 0.00 C ATOM 159 OG1 THR A 10 -8.687 3.930 2.891 1.00 0.00 O ATOM 160 CG2 THR A 10 -9.294 2.588 1.041 1.00 0.00 C ATOM 0 H THR A 10 -6.359 2.392 2.734 1.00 0.00 H new ATOM 0 HA THR A 10 -6.853 3.634 0.099 1.00 0.00 H new ATOM 0 HB THR A 10 -8.817 4.660 0.950 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.832 4.876 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.342 2.744 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.197 2.473 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.930 1.688 1.536 1.00 0.00 H new ATOM 168 N SER A 11 -6.363 5.065 3.050 1.00 0.00 N ATOM 169 CA SER A 11 -5.694 6.181 3.710 1.00 0.00 C ATOM 170 C SER A 11 -4.763 5.680 4.824 1.00 0.00 C ATOM 171 O SER A 11 -3.890 4.850 4.569 1.00 0.00 O ATOM 172 CB SER A 11 -6.736 7.166 4.255 1.00 0.00 C ATOM 173 OG SER A 11 -6.135 8.393 4.642 1.00 0.00 O ATOM 0 H SER A 11 -6.923 4.482 3.671 1.00 0.00 H new ATOM 0 HA SER A 11 -5.076 6.703 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.494 7.354 3.495 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.246 6.723 5.110 1.00 0.00 H new ATOM 0 HG SER A 11 -6.823 9.001 4.984 1.00 0.00 H new ATOM 179 N LYS A 12 -4.942 6.185 6.052 1.00 0.00 N ATOM 180 CA LYS A 12 -4.110 5.787 7.194 1.00 0.00 C ATOM 181 C LYS A 12 -2.794 6.559 7.211 1.00 0.00 C ATOM 182 O LYS A 12 -2.408 7.116 8.239 1.00 0.00 O ATOM 183 CB LYS A 12 -3.831 4.278 7.184 1.00 0.00 C ATOM 184 CG LYS A 12 -5.059 3.428 6.901 1.00 0.00 C ATOM 185 CD LYS A 12 -6.257 3.891 7.715 1.00 0.00 C ATOM 186 CE LYS A 12 -7.507 3.101 7.367 1.00 0.00 C ATOM 187 NZ LYS A 12 -7.869 3.238 5.929 1.00 0.00 N ATOM 0 H LYS A 12 -5.659 6.873 6.280 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.668 6.028 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.071 4.064 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.415 3.989 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.299 3.476 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.842 2.385 7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.040 3.781 8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.433 4.951 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.349 2.049 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.337 3.444 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.819 3.653 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.180 3.856 5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.861 2.301 5.478 1.00 0.00 H new ATOM 201 N ASP A 13 -2.110 6.584 6.067 1.00 0.00 N ATOM 202 CA ASP A 13 -0.831 7.284 5.933 1.00 0.00 C ATOM 203 C ASP A 13 0.339 6.411 6.392 1.00 0.00 C ATOM 204 O ASP A 13 1.498 6.776 6.201 1.00 0.00 O ATOM 205 CB ASP A 13 -0.841 8.599 6.721 1.00 0.00 C ATOM 206 CG ASP A 13 -0.152 9.726 5.978 1.00 0.00 C ATOM 207 OD1 ASP A 13 1.054 9.593 5.687 1.00 0.00 O ATOM 208 OD2 ASP A 13 -0.820 10.740 5.687 1.00 0.00 O ATOM 0 H ASP A 13 -2.423 6.123 5.213 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.696 7.507 4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.872 8.884 6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.349 8.447 7.682 1.00 0.00 H new ATOM 213 N CYS A 14 0.028 5.259 6.994 1.00 0.00 N ATOM 214 CA CYS A 14 1.050 4.329 7.480 1.00 0.00 C ATOM 215 C CYS A 14 2.244 5.067 8.092 1.00 0.00 C ATOM 216 O CYS A 14 3.188 5.428 7.389 1.00 0.00 O ATOM 217 CB CYS A 14 1.520 3.414 6.345 1.00 0.00 C ATOM 218 SG CYS A 14 2.179 4.293 4.892 1.00 0.00 S ATOM 0 H CYS A 14 -0.930 4.948 7.157 1.00 0.00 H new ATOM 0 HA CYS A 14 0.597 3.723 8.265 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.290 2.745 6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.684 2.790 6.028 1.00 0.00 H new ATOM 223 N PRO A 15 2.213 5.303 9.416 1.00 0.00 N ATOM 224 CA PRO A 15 3.282 6.002 10.126 1.00 0.00 C ATOM 225 C PRO A 15 4.381 5.061 10.614 1.00 0.00 C ATOM 226 O PRO A 15 5.050 5.338 11.610 1.00 0.00 O ATOM 227 CB PRO A 15 2.537 6.605 11.311 1.00 0.00 C ATOM 228 CG PRO A 15 1.475 5.605 11.629 1.00 0.00 C ATOM 229 CD PRO A 15 1.124 4.914 10.331 1.00 0.00 C ATOM 0 HA PRO A 15 3.799 6.724 9.494 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.202 6.762 12.160 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.107 7.574 11.059 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.830 4.885 12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.599 6.094 12.056 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.074 3.832 10.455 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.153 5.237 9.956 1.00 0.00 H new ATOM 237 N ASN A 16 4.561 3.948 9.911 1.00 0.00 N ATOM 238 CA ASN A 16 5.576 2.968 10.279 1.00 0.00 C ATOM 239 C ASN A 16 6.877 3.205 9.512 1.00 0.00 C ATOM 240 O ASN A 16 7.662 2.280 9.306 1.00 0.00 O ATOM 241 CB ASN A 16 5.060 1.554 10.008 1.00 0.00 C ATOM 242 CG ASN A 16 6.003 0.483 10.521 1.00 0.00 C ATOM 243 OD1 ASN A 16 6.593 0.621 11.592 1.00 0.00 O ATOM 244 ND2 ASN A 16 6.150 -0.592 9.755 1.00 0.00 N ATOM 0 H ASN A 16 4.017 3.702 9.084 1.00 0.00 H new ATOM 0 HA ASN A 16 5.784 3.079 11.343 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.085 1.430 10.479 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.915 1.423 8.936 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.772 -1.345 10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.641 -0.664 8.874 1.00 0.00 H new ATOM 251 N GLY A 17 7.102 4.448 9.094 1.00 0.00 N ATOM 252 CA GLY A 17 8.310 4.777 8.358 1.00 0.00 C ATOM 253 C GLY A 17 8.264 6.169 7.759 1.00 0.00 C ATOM 254 O GLY A 17 7.283 6.893 7.931 1.00 0.00 O ATOM 0 H GLY A 17 6.470 5.233 9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.170 4.700 9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.457 4.047 7.562 1.00 0.00 H new ATOM 258 N HIS A 18 9.327 6.544 7.053 1.00 0.00 N ATOM 259 CA HIS A 18 9.401 7.859 6.427 1.00 0.00 C ATOM 260 C HIS A 18 10.062 7.786 5.051 1.00 0.00 C ATOM 261 O HIS A 18 10.531 8.796 4.528 1.00 0.00 O ATOM 262 CB HIS A 18 10.168 8.835 7.323 1.00 0.00 C ATOM 263 CG HIS A 18 11.400 8.246 7.938 1.00 0.00 C ATOM 264 ND1 HIS A 18 11.473 7.868 9.263 1.00 0.00 N ATOM 265 CD2 HIS A 18 12.614 7.972 7.404 1.00 0.00 C ATOM 266 CE1 HIS A 18 12.678 7.388 9.516 1.00 0.00 C ATOM 267 NE2 HIS A 18 13.389 7.440 8.405 1.00 0.00 N ATOM 0 H HIS A 18 10.147 5.957 6.901 1.00 0.00 H new ATOM 0 HA HIS A 18 8.381 8.220 6.295 1.00 0.00 H new ATOM 0 HB2 HIS A 18 10.448 9.710 6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.507 9.182 8.117 1.00 0.00 H new ATOM 0 HD2 HIS A 18 12.916 8.141 6.381 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.023 7.016 10.470 1.00 0.00 H new ATOM 0 HE2 HIS A 18 14.357 7.135 8.306 1.00 0.00 H new ATOM 276 N VAL A 19 10.090 6.591 4.466 1.00 0.00 N ATOM 277 CA VAL A 19 10.688 6.402 3.148 1.00 0.00 C ATOM 278 C VAL A 19 9.775 5.570 2.254 1.00 0.00 C ATOM 279 O VAL A 19 9.124 4.633 2.715 1.00 0.00 O ATOM 280 CB VAL A 19 12.070 5.724 3.243 1.00 0.00 C ATOM 281 CG1 VAL A 19 12.689 5.565 1.863 1.00 0.00 C ATOM 282 CG2 VAL A 19 12.991 6.520 4.154 1.00 0.00 C ATOM 0 H VAL A 19 9.707 5.742 4.882 1.00 0.00 H new ATOM 0 HA VAL A 19 10.818 7.392 2.710 1.00 0.00 H new ATOM 0 HB VAL A 19 11.935 4.731 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.663 5.085 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.038 4.950 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.810 6.546 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.962 6.028 4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.117 7.526 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.555 6.577 5.152 1.00 0.00 H new ATOM 292 N CYS A 20 9.728 5.926 0.976 1.00 0.00 N ATOM 293 CA CYS A 20 8.888 5.221 0.016 1.00 0.00 C ATOM 294 C CYS A 20 9.425 3.825 -0.265 1.00 0.00 C ATOM 295 O CYS A 20 10.312 3.639 -1.096 1.00 0.00 O ATOM 296 CB CYS A 20 8.782 6.025 -1.275 1.00 0.00 C ATOM 297 SG CYS A 20 8.115 7.701 -1.030 1.00 0.00 S ATOM 0 H CYS A 20 10.262 6.699 0.580 1.00 0.00 H new ATOM 0 HA CYS A 20 7.893 5.112 0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.769 6.098 -1.731 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.145 5.488 -1.978 1.00 0.00 H new ATOM 302 N TYR A 21 8.878 2.852 0.447 1.00 0.00 N ATOM 303 CA TYR A 21 9.284 1.460 0.309 1.00 0.00 C ATOM 304 C TYR A 21 8.555 0.770 -0.835 1.00 0.00 C ATOM 305 O TYR A 21 7.483 0.200 -0.633 1.00 0.00 O ATOM 306 CB TYR A 21 8.976 0.714 1.610 1.00 0.00 C ATOM 307 CG TYR A 21 10.185 0.212 2.355 1.00 0.00 C ATOM 308 CD1 TYR A 21 11.338 0.977 2.452 1.00 0.00 C ATOM 309 CD2 TYR A 21 10.162 -1.029 2.976 1.00 0.00 C ATOM 310 CE1 TYR A 21 12.440 0.515 3.148 1.00 0.00 C ATOM 311 CE2 TYR A 21 11.255 -1.496 3.675 1.00 0.00 C ATOM 312 CZ TYR A 21 12.391 -0.722 3.758 1.00 0.00 C ATOM 313 OH TYR A 21 13.479 -1.186 4.455 1.00 0.00 O ATOM 0 H TYR A 21 8.141 3.003 1.136 1.00 0.00 H new ATOM 0 HA TYR A 21 10.352 1.443 0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.412 1.376 2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.330 -0.134 1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.376 1.946 1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 21 9.273 -1.639 2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.333 1.118 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 21 11.220 -2.463 4.155 1.00 0.00 H new ATOM 0 HH TYR A 21 13.396 -0.933 5.398 1.00 0.00 H new ATOM 323 N THR A 22 9.140 0.778 -2.025 1.00 0.00 N ATOM 324 CA THR A 22 8.508 0.097 -3.148 1.00 0.00 C ATOM 325 C THR A 22 8.695 -1.398 -2.967 1.00 0.00 C ATOM 326 O THR A 22 9.475 -2.041 -3.669 1.00 0.00 O ATOM 327 CB THR A 22 9.084 0.566 -4.483 1.00 0.00 C ATOM 328 OG1 THR A 22 10.414 0.117 -4.634 1.00 0.00 O ATOM 329 CG2 THR A 22 9.086 2.071 -4.640 1.00 0.00 C ATOM 0 H THR A 22 10.027 1.235 -2.236 1.00 0.00 H new ATOM 0 HA THR A 22 7.445 0.337 -3.166 1.00 0.00 H new ATOM 0 HB THR A 22 8.432 0.141 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.427 -0.862 -4.671 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.508 2.335 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.064 2.445 -4.575 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.687 2.519 -3.849 1.00 0.00 H new ATOM 337 N LYS A 23 7.993 -1.923 -1.975 1.00 0.00 N ATOM 338 CA LYS A 23 8.081 -3.330 -1.615 1.00 0.00 C ATOM 339 C LYS A 23 7.069 -4.198 -2.357 1.00 0.00 C ATOM 340 O LYS A 23 5.889 -3.860 -2.461 1.00 0.00 O ATOM 341 CB LYS A 23 7.895 -3.479 -0.100 1.00 0.00 C ATOM 342 CG LYS A 23 8.735 -4.581 0.530 1.00 0.00 C ATOM 343 CD LYS A 23 8.593 -4.590 2.044 1.00 0.00 C ATOM 344 CE LYS A 23 9.780 -5.266 2.713 1.00 0.00 C ATOM 345 NZ LYS A 23 9.355 -6.198 3.794 1.00 0.00 N ATOM 0 H LYS A 23 7.346 -1.386 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 23 9.069 -3.682 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.142 -2.532 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.843 -3.677 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.430 -5.547 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.782 -4.441 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.504 -3.566 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.675 -5.108 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.353 -5.815 1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.443 -4.507 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.194 -6.637 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.830 -5.671 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.743 -6.938 3.394 1.00 0.00 H new ATOM 359 N THR A 24 7.554 -5.337 -2.843 1.00 0.00 N ATOM 360 CA THR A 24 6.732 -6.307 -3.550 1.00 0.00 C ATOM 361 C THR A 24 7.150 -7.707 -3.110 1.00 0.00 C ATOM 362 O THR A 24 8.122 -8.268 -3.619 1.00 0.00 O ATOM 363 CB THR A 24 6.881 -6.154 -5.068 1.00 0.00 C ATOM 364 OG1 THR A 24 6.296 -7.255 -5.740 1.00 0.00 O ATOM 365 CG2 THR A 24 8.318 -6.048 -5.530 1.00 0.00 C ATOM 0 H THR A 24 8.532 -5.612 -2.756 1.00 0.00 H new ATOM 0 HA THR A 24 5.683 -6.138 -3.308 1.00 0.00 H new ATOM 0 HB THR A 24 6.373 -5.221 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.399 -7.140 -6.708 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.345 -5.942 -6.615 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.785 -5.178 -5.069 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.861 -6.948 -5.240 1.00 0.00 H new ATOM 373 N TRP A 25 6.436 -8.247 -2.131 1.00 0.00 N ATOM 374 CA TRP A 25 6.755 -9.562 -1.587 1.00 0.00 C ATOM 375 C TRP A 25 5.553 -10.480 -1.598 1.00 0.00 C ATOM 376 O TRP A 25 5.460 -11.415 -2.393 1.00 0.00 O ATOM 377 CB TRP A 25 7.299 -9.438 -0.155 1.00 0.00 C ATOM 378 CG TRP A 25 6.691 -8.322 0.653 1.00 0.00 C ATOM 379 CD1 TRP A 25 6.597 -7.006 0.300 1.00 0.00 C ATOM 380 CD2 TRP A 25 6.100 -8.427 1.956 1.00 0.00 C ATOM 381 NE1 TRP A 25 5.979 -6.291 1.295 1.00 0.00 N ATOM 382 CE2 TRP A 25 5.666 -7.138 2.322 1.00 0.00 C ATOM 383 CE3 TRP A 25 5.893 -9.484 2.847 1.00 0.00 C ATOM 384 CZ2 TRP A 25 5.039 -6.879 3.538 1.00 0.00 C ATOM 385 CZ3 TRP A 25 5.270 -9.224 4.055 1.00 0.00 C ATOM 386 CH2 TRP A 25 4.850 -7.931 4.390 1.00 0.00 C ATOM 0 H TRP A 25 5.631 -7.795 -1.697 1.00 0.00 H new ATOM 0 HA TRP A 25 7.521 -9.998 -2.228 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.130 -10.380 0.367 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.378 -9.289 -0.202 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.957 -6.588 -0.629 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.785 -5.290 1.272 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.213 -10.485 2.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.714 -5.883 3.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.105 -10.033 4.752 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.367 -7.761 5.341 1.00 0.00 H new ATOM 397 N CYS A 26 4.652 -10.201 -0.690 1.00 0.00 N ATOM 398 CA CYS A 26 3.434 -10.978 -0.526 1.00 0.00 C ATOM 399 C CYS A 26 3.739 -12.307 0.156 1.00 0.00 C ATOM 400 O CYS A 26 3.048 -13.301 -0.064 1.00 0.00 O ATOM 401 CB CYS A 26 2.753 -11.218 -1.876 1.00 0.00 C ATOM 402 SG CYS A 26 0.942 -11.029 -1.828 1.00 0.00 S ATOM 0 H CYS A 26 4.737 -9.424 -0.035 1.00 0.00 H new ATOM 0 HA CYS A 26 2.751 -10.409 0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.163 -10.522 -2.608 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.995 -12.223 -2.221 1.00 0.00 H new ATOM 407 N ASP A 27 4.786 -12.313 0.986 1.00 0.00 N ATOM 408 CA ASP A 27 5.199 -13.515 1.712 1.00 0.00 C ATOM 409 C ASP A 27 4.000 -14.337 2.192 1.00 0.00 C ATOM 410 O ASP A 27 3.184 -13.851 2.973 1.00 0.00 O ATOM 411 CB ASP A 27 6.063 -13.123 2.911 1.00 0.00 C ATOM 412 CG ASP A 27 5.283 -12.356 3.961 1.00 0.00 C ATOM 413 OD1 ASP A 27 4.263 -11.731 3.602 1.00 0.00 O ATOM 414 OD2 ASP A 27 5.692 -12.380 5.140 1.00 0.00 O ATOM 0 H ASP A 27 5.365 -11.494 1.172 1.00 0.00 H new ATOM 0 HA ASP A 27 5.772 -14.135 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.485 -14.022 3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.900 -12.515 2.568 1.00 0.00 H new ATOM 419 N ALA A 28 3.918 -15.587 1.717 1.00 0.00 N ATOM 420 CA ALA A 28 2.840 -16.523 2.078 1.00 0.00 C ATOM 421 C ALA A 28 1.662 -15.839 2.774 1.00 0.00 C ATOM 422 O ALA A 28 1.743 -15.499 3.954 1.00 0.00 O ATOM 423 CB ALA A 28 3.391 -17.631 2.962 1.00 0.00 C ATOM 0 H ALA A 28 4.600 -15.981 1.069 1.00 0.00 H new ATOM 0 HA ALA A 28 2.458 -16.940 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.588 -18.320 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.171 -18.171 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.810 -17.198 3.870 1.00 0.00 H new ATOM 429 N PHE A 29 0.572 -15.643 2.030 1.00 0.00 N ATOM 430 CA PHE A 29 -0.637 -14.998 2.556 1.00 0.00 C ATOM 431 C PHE A 29 -0.538 -13.478 2.454 1.00 0.00 C ATOM 432 O PHE A 29 -1.544 -12.796 2.263 1.00 0.00 O ATOM 433 CB PHE A 29 -0.903 -15.408 4.009 1.00 0.00 C ATOM 434 CG PHE A 29 -2.297 -15.095 4.476 1.00 0.00 C ATOM 435 CD1 PHE A 29 -3.398 -15.533 3.758 1.00 0.00 C ATOM 436 CD2 PHE A 29 -2.504 -14.362 5.634 1.00 0.00 C ATOM 437 CE1 PHE A 29 -4.680 -15.245 4.186 1.00 0.00 C ATOM 438 CE2 PHE A 29 -3.784 -14.070 6.066 1.00 0.00 C ATOM 439 CZ PHE A 29 -4.873 -14.513 5.342 1.00 0.00 C ATOM 0 H PHE A 29 0.500 -15.924 1.052 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.474 -15.336 1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.725 -16.478 4.114 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.189 -14.901 4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.253 -16.106 2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.656 -14.015 6.205 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.530 -15.592 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.932 -13.496 6.969 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.874 -14.288 5.679 1.00 0.00 H new ATOM 449 N CYS A 30 0.680 -12.954 2.577 1.00 0.00 N ATOM 450 CA CYS A 30 0.915 -11.514 2.494 1.00 0.00 C ATOM 451 C CYS A 30 0.251 -10.786 3.663 1.00 0.00 C ATOM 452 O CYS A 30 0.927 -10.308 4.574 1.00 0.00 O ATOM 453 CB CYS A 30 0.392 -10.950 1.164 1.00 0.00 C ATOM 454 SG CYS A 30 0.387 -12.139 -0.222 1.00 0.00 S ATOM 0 H CYS A 30 1.522 -13.507 2.735 1.00 0.00 H new ATOM 0 HA CYS A 30 1.991 -11.351 2.545 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.624 -10.585 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.002 -10.091 0.885 1.00 0.00 H new ATOM 459 N SER A 31 -1.077 -10.707 3.626 1.00 0.00 N ATOM 460 CA SER A 31 -1.846 -10.039 4.674 1.00 0.00 C ATOM 461 C SER A 31 -3.305 -9.895 4.252 1.00 0.00 C ATOM 462 O SER A 31 -4.199 -10.495 4.849 1.00 0.00 O ATOM 463 CB SER A 31 -1.257 -8.660 4.982 1.00 0.00 C ATOM 464 OG SER A 31 -2.181 -7.857 5.697 1.00 0.00 O ATOM 0 H SER A 31 -1.646 -11.100 2.876 1.00 0.00 H new ATOM 0 HA SER A 31 -1.794 -10.651 5.575 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.343 -8.774 5.565 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.982 -8.163 4.052 1.00 0.00 H new ATOM 0 HG SER A 31 -1.779 -6.983 5.882 1.00 0.00 H new ATOM 470 N ILE A 32 -3.534 -9.101 3.211 1.00 0.00 N ATOM 471 CA ILE A 32 -4.878 -8.877 2.693 1.00 0.00 C ATOM 472 C ILE A 32 -4.942 -9.248 1.208 1.00 0.00 C ATOM 473 O ILE A 32 -4.074 -9.966 0.711 1.00 0.00 O ATOM 474 CB ILE A 32 -5.322 -7.408 2.917 1.00 0.00 C ATOM 475 CG1 ILE A 32 -6.845 -7.322 3.062 1.00 0.00 C ATOM 476 CG2 ILE A 32 -4.832 -6.500 1.796 1.00 0.00 C ATOM 477 CD1 ILE A 32 -7.294 -6.751 4.390 1.00 0.00 C ATOM 0 H ILE A 32 -2.802 -8.600 2.708 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.569 -9.519 3.239 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.866 -7.060 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.244 -6.705 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.270 -8.318 2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.161 -5.478 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.743 -6.529 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.241 -6.843 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.383 -6.719 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.924 -7.380 5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.898 -5.742 4.505 1.00 0.00 H new ATOM 489 N ARG A 33 -5.965 -8.770 0.501 1.00 0.00 N ATOM 490 CA ARG A 33 -6.116 -9.073 -0.923 1.00 0.00 C ATOM 491 C ARG A 33 -4.803 -8.874 -1.677 1.00 0.00 C ATOM 492 O ARG A 33 -4.551 -9.529 -2.688 1.00 0.00 O ATOM 493 CB ARG A 33 -7.215 -8.212 -1.559 1.00 0.00 C ATOM 494 CG ARG A 33 -7.325 -6.805 -0.998 1.00 0.00 C ATOM 495 CD ARG A 33 -8.421 -6.025 -1.706 1.00 0.00 C ATOM 496 NE ARG A 33 -8.216 -5.986 -3.152 1.00 0.00 N ATOM 497 CZ ARG A 33 -9.178 -5.710 -4.030 1.00 0.00 C ATOM 498 NH1 ARG A 33 -10.411 -5.448 -3.614 1.00 0.00 N ATOM 499 NH2 ARG A 33 -8.906 -5.696 -5.327 1.00 0.00 N ATOM 0 H ARG A 33 -6.698 -8.175 0.887 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.404 -10.122 -0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.032 -8.147 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.173 -8.716 -1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.537 -6.850 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.372 -6.288 -1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.388 -6.479 -1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.452 -5.008 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.281 -6.182 -3.510 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.626 -5.457 -2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.144 -5.237 -4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.960 -5.897 -5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.642 -5.485 -6.000 1.00 0.00 H new ATOM 513 N GLY A 34 -3.971 -7.969 -1.176 1.00 0.00 N ATOM 514 CA GLY A 34 -2.695 -7.702 -1.810 1.00 0.00 C ATOM 515 C GLY A 34 -1.901 -6.641 -1.076 1.00 0.00 C ATOM 516 O GLY A 34 -2.178 -6.342 0.085 1.00 0.00 O ATOM 0 H GLY A 34 -4.158 -7.415 -0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.113 -8.623 -1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.862 -7.381 -2.838 1.00 0.00 H new ATOM 520 N LYS A 35 -0.915 -6.068 -1.754 1.00 0.00 N ATOM 521 CA LYS A 35 -0.082 -5.030 -1.159 1.00 0.00 C ATOM 522 C LYS A 35 0.368 -4.020 -2.211 1.00 0.00 C ATOM 523 O LYS A 35 1.343 -3.296 -2.010 1.00 0.00 O ATOM 524 CB LYS A 35 1.138 -5.651 -0.476 1.00 0.00 C ATOM 525 CG LYS A 35 0.858 -6.148 0.934 1.00 0.00 C ATOM 526 CD LYS A 35 2.010 -5.837 1.879 1.00 0.00 C ATOM 527 CE LYS A 35 1.518 -5.211 3.175 1.00 0.00 C ATOM 528 NZ LYS A 35 0.311 -5.902 3.706 1.00 0.00 N ATOM 0 H LYS A 35 -0.672 -6.304 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.679 -4.507 -0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.498 -6.483 -1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.939 -4.913 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.055 -5.685 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.685 -7.224 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.556 -6.754 2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.710 -5.160 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.313 -5.247 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.288 -4.159 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.383 -5.980 4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.539 -5.356 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.245 -6.853 3.291 1.00 0.00 H new ATOM 542 N ARG A 36 -0.347 -3.974 -3.333 1.00 0.00 N ATOM 543 CA ARG A 36 -0.023 -3.053 -4.419 1.00 0.00 C ATOM 544 C ARG A 36 1.264 -3.464 -5.132 1.00 0.00 C ATOM 545 O ARG A 36 1.258 -3.690 -6.338 1.00 0.00 O ATOM 546 CB ARG A 36 0.104 -1.622 -3.890 1.00 0.00 C ATOM 547 CG ARG A 36 -0.609 -0.591 -4.750 1.00 0.00 C ATOM 548 CD ARG A 36 0.363 0.149 -5.655 1.00 0.00 C ATOM 549 NE ARG A 36 0.471 -0.479 -6.970 1.00 0.00 N ATOM 550 CZ ARG A 36 0.928 0.144 -8.055 1.00 0.00 C ATOM 551 NH1 ARG A 36 1.324 1.409 -7.986 1.00 0.00 N ATOM 552 NH2 ARG A 36 0.991 -0.502 -9.211 1.00 0.00 N ATOM 0 H ARG A 36 -1.157 -4.566 -3.514 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.839 -3.094 -5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.299 -1.580 -2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.160 -1.360 -3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.369 -1.084 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.127 0.123 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.035 1.182 -5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.346 0.178 -5.185 1.00 0.00 H new ATOM 0 HE ARG A 36 0.179 -1.452 -7.063 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.279 1.910 -7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.673 1.880 -8.821 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.690 -1.475 -9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.341 -0.026 -10.043 1.00 0.00 H new ATOM 566 N VAL A 37 2.360 -3.549 -4.373 1.00 0.00 N ATOM 567 CA VAL A 37 3.675 -3.923 -4.906 1.00 0.00 C ATOM 568 C VAL A 37 4.378 -2.708 -5.515 1.00 0.00 C ATOM 569 O VAL A 37 5.038 -2.801 -6.549 1.00 0.00 O ATOM 570 CB VAL A 37 3.603 -5.094 -5.934 1.00 0.00 C ATOM 571 CG1 VAL A 37 2.515 -6.085 -5.542 1.00 0.00 C ATOM 572 CG2 VAL A 37 3.391 -4.605 -7.367 1.00 0.00 C ATOM 0 H VAL A 37 2.362 -3.360 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 37 4.262 -4.286 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 37 4.570 -5.597 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.480 -6.894 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.734 -6.494 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.551 -5.577 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.348 -5.461 -8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.455 -4.049 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.218 -3.956 -7.656 1.00 0.00 H new ATOM 582 N ASP A 38 4.229 -1.565 -4.852 1.00 0.00 N ATOM 583 CA ASP A 38 4.842 -0.323 -5.316 1.00 0.00 C ATOM 584 C ASP A 38 4.894 0.723 -4.201 1.00 0.00 C ATOM 585 O ASP A 38 5.878 1.451 -4.070 1.00 0.00 O ATOM 586 CB ASP A 38 4.068 0.232 -6.514 1.00 0.00 C ATOM 587 CG ASP A 38 4.980 0.617 -7.663 1.00 0.00 C ATOM 588 OD1 ASP A 38 5.983 1.318 -7.415 1.00 0.00 O ATOM 589 OD2 ASP A 38 4.690 0.218 -8.811 1.00 0.00 O ATOM 0 H ASP A 38 3.689 -1.472 -3.992 1.00 0.00 H new ATOM 0 HA ASP A 38 5.865 -0.548 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.351 -0.514 -6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.495 1.105 -6.200 1.00 0.00 H new ATOM 594 N LEU A 39 3.829 0.799 -3.406 1.00 0.00 N ATOM 595 CA LEU A 39 3.763 1.763 -2.309 1.00 0.00 C ATOM 596 C LEU A 39 4.657 1.332 -1.149 1.00 0.00 C ATOM 597 O LEU A 39 5.065 0.174 -1.068 1.00 0.00 O ATOM 598 CB LEU A 39 2.319 1.932 -1.825 1.00 0.00 C ATOM 599 CG LEU A 39 1.498 0.641 -1.736 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.258 -0.431 -0.970 1.00 0.00 C ATOM 601 CD2 LEU A 39 0.153 0.912 -1.079 1.00 0.00 C ATOM 0 H LEU A 39 3.003 0.208 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 39 4.122 2.721 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.337 2.399 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.808 2.622 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 39 1.324 0.277 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.656 -1.338 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.197 -0.646 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.467 -0.078 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.418 -0.015 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.311 1.302 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.399 1.644 -1.669 1.00 0.00 H new ATOM 613 N GLY A 40 4.963 2.272 -0.256 1.00 0.00 N ATOM 614 CA GLY A 40 5.813 1.964 0.881 1.00 0.00 C ATOM 615 C GLY A 40 5.840 3.068 1.920 1.00 0.00 C ATOM 616 O GLY A 40 5.336 4.167 1.687 1.00 0.00 O ATOM 0 H GLY A 40 4.638 3.238 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.465 1.042 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.828 1.780 0.529 1.00 0.00 H new ATOM 620 N CYS A 41 6.438 2.768 3.070 1.00 0.00 N ATOM 621 CA CYS A 41 6.549 3.729 4.163 1.00 0.00 C ATOM 622 C CYS A 41 7.138 3.058 5.401 1.00 0.00 C ATOM 623 O CYS A 41 6.495 2.983 6.448 1.00 0.00 O ATOM 624 CB CYS A 41 5.182 4.339 4.493 1.00 0.00 C ATOM 625 SG CYS A 41 3.785 3.178 4.349 1.00 0.00 S ATOM 0 H CYS A 41 6.856 1.859 3.269 1.00 0.00 H new ATOM 0 HA CYS A 41 7.216 4.531 3.845 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.209 4.732 5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.005 5.185 3.829 1.00 0.00 H new ATOM 630 N ALA A 42 8.368 2.568 5.269 1.00 0.00 N ATOM 631 CA ALA A 42 9.050 1.897 6.370 1.00 0.00 C ATOM 632 C ALA A 42 10.497 2.365 6.487 1.00 0.00 C ATOM 633 O ALA A 42 10.973 2.677 7.578 1.00 0.00 O ATOM 634 CB ALA A 42 8.996 0.388 6.181 1.00 0.00 C ATOM 0 H ALA A 42 8.913 2.624 4.409 1.00 0.00 H new ATOM 0 HA ALA A 42 8.536 2.156 7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.509 -0.101 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.956 0.062 6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.484 0.121 5.244 1.00 0.00 H new ATOM 640 N ALA A 43 11.190 2.417 5.352 1.00 0.00 N ATOM 641 CA ALA A 43 12.583 2.853 5.320 1.00 0.00 C ATOM 642 C ALA A 43 13.503 1.829 5.981 1.00 0.00 C ATOM 643 O ALA A 43 13.111 0.685 6.211 1.00 0.00 O ATOM 644 CB ALA A 43 12.726 4.209 5.997 1.00 0.00 C ATOM 0 H ALA A 43 10.808 2.162 4.441 1.00 0.00 H new ATOM 0 HA ALA A 43 12.882 2.944 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.769 4.523 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.111 4.943 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.400 4.134 7.034 1.00 0.00 H new ATOM 650 N THR A 44 14.731 2.257 6.287 1.00 0.00 N ATOM 651 CA THR A 44 15.726 1.396 6.931 1.00 0.00 C ATOM 652 C THR A 44 16.458 0.524 5.912 1.00 0.00 C ATOM 653 O THR A 44 17.688 0.527 5.854 1.00 0.00 O ATOM 654 CB THR A 44 15.077 0.514 8.003 1.00 0.00 C ATOM 655 OG1 THR A 44 13.974 1.175 8.596 1.00 0.00 O ATOM 656 CG2 THR A 44 16.029 0.122 9.112 1.00 0.00 C ATOM 0 H THR A 44 15.061 3.203 6.097 1.00 0.00 H new ATOM 0 HA THR A 44 16.456 2.050 7.408 1.00 0.00 H new ATOM 0 HB THR A 44 14.761 -0.390 7.481 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.149 0.909 8.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.506 -0.501 9.837 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.867 -0.435 8.692 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.401 1.019 9.607 1.00 0.00 H new ATOM 664 N CYS A 45 15.703 -0.231 5.121 1.00 0.00 N ATOM 665 CA CYS A 45 16.294 -1.114 4.119 1.00 0.00 C ATOM 666 C CYS A 45 17.180 -2.161 4.799 1.00 0.00 C ATOM 667 O CYS A 45 18.391 -2.205 4.581 1.00 0.00 O ATOM 668 CB CYS A 45 17.104 -0.298 3.105 1.00 0.00 C ATOM 669 SG CYS A 45 16.759 -0.715 1.363 1.00 0.00 S ATOM 0 H CYS A 45 14.684 -0.250 5.153 1.00 0.00 H new ATOM 0 HA CYS A 45 15.495 -1.629 3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.899 0.761 3.261 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.166 -0.449 3.300 1.00 0.00 H new ATOM 674 N PRO A 46 16.579 -3.009 5.657 1.00 0.00 N ATOM 675 CA PRO A 46 17.300 -4.044 6.396 1.00 0.00 C ATOM 676 C PRO A 46 17.382 -5.380 5.659 1.00 0.00 C ATOM 677 O PRO A 46 18.349 -6.125 5.820 1.00 0.00 O ATOM 678 CB PRO A 46 16.451 -4.184 7.655 1.00 0.00 C ATOM 679 CG PRO A 46 15.051 -3.917 7.201 1.00 0.00 C ATOM 680 CD PRO A 46 15.142 -3.010 5.993 1.00 0.00 C ATOM 0 HA PRO A 46 18.342 -3.774 6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 46 16.544 -5.181 8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 46 16.761 -3.474 8.422 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.544 -4.848 6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.472 -3.445 7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.539 -3.384 5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.784 -2.006 6.220 1.00 0.00 H new ATOM 688 N THR A 47 16.367 -5.683 4.855 1.00 0.00 N ATOM 689 CA THR A 47 16.333 -6.928 4.105 1.00 0.00 C ATOM 690 C THR A 47 16.355 -6.640 2.609 1.00 0.00 C ATOM 691 O THR A 47 17.417 -6.658 1.987 1.00 0.00 O ATOM 692 CB THR A 47 15.091 -7.741 4.487 1.00 0.00 C ATOM 693 OG1 THR A 47 15.007 -7.889 5.893 1.00 0.00 O ATOM 694 CG2 THR A 47 15.068 -9.127 3.882 1.00 0.00 C ATOM 0 H THR A 47 15.557 -5.080 4.708 1.00 0.00 H new ATOM 0 HA THR A 47 17.216 -7.517 4.353 1.00 0.00 H new ATOM 0 HB THR A 47 14.246 -7.177 4.092 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.208 -8.409 6.120 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.161 -9.645 4.194 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.086 -9.050 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.940 -9.686 4.220 1.00 0.00 H new ATOM 702 N VAL A 48 15.191 -6.358 2.029 1.00 0.00 N ATOM 703 CA VAL A 48 15.117 -6.055 0.605 1.00 0.00 C ATOM 704 C VAL A 48 15.735 -7.174 -0.210 1.00 0.00 C ATOM 705 O VAL A 48 16.460 -6.941 -1.178 1.00 0.00 O ATOM 706 CB VAL A 48 15.858 -4.754 0.291 1.00 0.00 C ATOM 707 CG1 VAL A 48 15.538 -4.275 -1.116 1.00 0.00 C ATOM 708 CG2 VAL A 48 15.522 -3.688 1.323 1.00 0.00 C ATOM 0 H VAL A 48 14.296 -6.333 2.518 1.00 0.00 H new ATOM 0 HA VAL A 48 14.064 -5.948 0.344 1.00 0.00 H new ATOM 0 HB VAL A 48 16.930 -4.947 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.076 -3.349 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.842 -5.034 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.466 -4.098 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.058 -2.769 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.449 -3.496 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.818 -4.034 2.313 1.00 0.00 H new ATOM 718 N LYS A 49 15.460 -8.387 0.216 1.00 0.00 N ATOM 719 CA LYS A 49 16.002 -9.567 -0.436 1.00 0.00 C ATOM 720 C LYS A 49 15.095 -10.775 -0.211 1.00 0.00 C ATOM 721 O LYS A 49 13.915 -10.622 0.102 1.00 0.00 O ATOM 722 CB LYS A 49 17.414 -9.835 0.097 1.00 0.00 C ATOM 723 CG LYS A 49 17.626 -9.347 1.523 1.00 0.00 C ATOM 724 CD LYS A 49 18.111 -10.465 2.427 1.00 0.00 C ATOM 725 CE LYS A 49 19.629 -10.513 2.492 1.00 0.00 C ATOM 726 NZ LYS A 49 20.248 -10.391 1.143 1.00 0.00 N ATOM 0 H LYS A 49 14.860 -8.587 1.017 1.00 0.00 H new ATOM 0 HA LYS A 49 16.054 -9.392 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.613 -10.906 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.139 -9.350 -0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.352 -8.534 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.692 -8.942 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.708 -10.324 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.731 -11.419 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.990 -9.707 3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.943 -11.450 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.255 -10.646 1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.765 -11.031 0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.157 -9.411 0.807 1.00 0.00 H new ATOM 740 N THR A 50 15.645 -11.974 -0.378 1.00 0.00 N ATOM 741 CA THR A 50 14.871 -13.199 -0.198 1.00 0.00 C ATOM 742 C THR A 50 13.604 -13.152 -1.060 1.00 0.00 C ATOM 743 O THR A 50 13.644 -12.664 -2.190 1.00 0.00 O ATOM 744 CB THR A 50 14.524 -13.382 1.284 1.00 0.00 C ATOM 745 OG1 THR A 50 15.527 -12.813 2.106 1.00 0.00 O ATOM 746 CG2 THR A 50 14.368 -14.832 1.688 1.00 0.00 C ATOM 0 H THR A 50 16.620 -12.124 -0.637 1.00 0.00 H new ATOM 0 HA THR A 50 15.467 -14.054 -0.518 1.00 0.00 H new ATOM 0 HB THR A 50 13.567 -12.879 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 50 15.288 -12.938 3.048 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.123 -14.890 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.568 -15.288 1.105 1.00 0.00 H new ATOM 0 HG23 THR A 50 15.301 -15.364 1.502 1.00 0.00 H new ATOM 754 N GLY A 51 12.479 -13.639 -0.534 1.00 0.00 N ATOM 755 CA GLY A 51 11.239 -13.610 -1.290 1.00 0.00 C ATOM 756 C GLY A 51 10.531 -12.272 -1.169 1.00 0.00 C ATOM 757 O GLY A 51 9.302 -12.211 -1.121 1.00 0.00 O ATOM 0 H GLY A 51 12.406 -14.050 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.449 -13.815 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.580 -14.403 -0.936 1.00 0.00 H new ATOM 761 N VAL A 52 11.316 -11.199 -1.112 1.00 0.00 N ATOM 762 CA VAL A 52 10.785 -9.849 -0.986 1.00 0.00 C ATOM 763 C VAL A 52 11.679 -8.858 -1.732 1.00 0.00 C ATOM 764 O VAL A 52 12.796 -8.575 -1.299 1.00 0.00 O ATOM 765 CB VAL A 52 10.704 -9.435 0.499 1.00 0.00 C ATOM 766 CG1 VAL A 52 10.126 -8.035 0.646 1.00 0.00 C ATOM 767 CG2 VAL A 52 9.888 -10.448 1.293 1.00 0.00 C ATOM 0 H VAL A 52 12.334 -11.243 -1.152 1.00 0.00 H new ATOM 0 HA VAL A 52 9.784 -9.837 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 52 11.716 -9.420 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.080 -7.769 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.761 -7.322 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.122 -8.009 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.842 -10.140 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.878 -10.502 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.359 -11.428 1.225 1.00 0.00 H new ATOM 777 N ASP A 53 11.191 -8.339 -2.855 1.00 0.00 N ATOM 778 CA ASP A 53 11.966 -7.389 -3.651 1.00 0.00 C ATOM 779 C ASP A 53 11.466 -5.963 -3.442 1.00 0.00 C ATOM 780 O ASP A 53 10.362 -5.621 -3.859 1.00 0.00 O ATOM 781 CB ASP A 53 11.884 -7.753 -5.135 1.00 0.00 C ATOM 782 CG ASP A 53 12.715 -8.973 -5.478 1.00 0.00 C ATOM 783 OD1 ASP A 53 13.796 -9.144 -4.876 1.00 0.00 O ATOM 784 OD2 ASP A 53 12.286 -9.758 -6.350 1.00 0.00 O ATOM 0 H ASP A 53 10.269 -8.557 -3.233 1.00 0.00 H new ATOM 0 HA ASP A 53 13.004 -7.443 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.844 -7.938 -5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.222 -6.907 -5.733 1.00 0.00 H new ATOM 789 N ILE A 54 12.272 -5.131 -2.786 1.00 0.00 N ATOM 790 CA ILE A 54 11.879 -3.755 -2.528 1.00 0.00 C ATOM 791 C ILE A 54 12.928 -2.762 -2.996 1.00 0.00 C ATOM 792 O ILE A 54 14.121 -3.055 -3.049 1.00 0.00 O ATOM 793 CB ILE A 54 11.582 -3.515 -1.018 1.00 0.00 C ATOM 794 CG1 ILE A 54 12.048 -2.128 -0.537 1.00 0.00 C ATOM 795 CG2 ILE A 54 12.218 -4.594 -0.157 1.00 0.00 C ATOM 796 CD1 ILE A 54 12.264 -2.057 0.956 1.00 0.00 C ATOM 0 H ILE A 54 13.192 -5.386 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 54 10.966 -3.591 -3.101 1.00 0.00 H new ATOM 0 HB ILE A 54 10.498 -3.558 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.977 -1.868 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.307 -1.383 -0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.994 -4.401 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.819 -5.568 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.298 -4.588 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.591 -1.054 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.331 -2.287 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.026 -2.779 1.248 1.00 0.00 H new ATOM 808 N GLN A 55 12.451 -1.562 -3.273 1.00 0.00 N ATOM 809 CA GLN A 55 13.298 -0.460 -3.669 1.00 0.00 C ATOM 810 C GLN A 55 13.061 0.666 -2.681 1.00 0.00 C ATOM 811 O GLN A 55 12.225 1.548 -2.899 1.00 0.00 O ATOM 812 CB GLN A 55 12.997 -0.009 -5.101 1.00 0.00 C ATOM 813 CG GLN A 55 14.242 0.190 -5.951 1.00 0.00 C ATOM 814 CD GLN A 55 13.973 1.023 -7.188 1.00 0.00 C ATOM 815 OE1 GLN A 55 14.259 0.602 -8.309 1.00 0.00 O ATOM 816 NE2 GLN A 55 13.421 2.215 -6.990 1.00 0.00 N ATOM 0 H GLN A 55 11.459 -1.327 -3.228 1.00 0.00 H new ATOM 0 HA GLN A 55 14.344 -0.766 -3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.356 -0.749 -5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.436 0.925 -5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.014 0.674 -5.352 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.633 -0.782 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.200 2.524 -6.043 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.218 2.821 -7.785 1.00 0.00 H new ATOM 825 N CYS A 56 13.770 0.590 -1.564 1.00 0.00 N ATOM 826 CA CYS A 56 13.627 1.567 -0.500 1.00 0.00 C ATOM 827 C CYS A 56 14.062 2.947 -0.979 1.00 0.00 C ATOM 828 O CYS A 56 15.182 3.394 -0.734 1.00 0.00 O ATOM 829 CB CYS A 56 14.411 1.106 0.736 1.00 0.00 C ATOM 830 SG CYS A 56 16.221 1.058 0.525 1.00 0.00 S ATOM 0 H CYS A 56 14.453 -0.143 -1.373 1.00 0.00 H new ATOM 0 HA CYS A 56 12.578 1.647 -0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 56 14.174 1.771 1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 56 14.066 0.111 1.016 1.00 0.00 H new ATOM 835 N CYS A 57 13.147 3.606 -1.686 1.00 0.00 N ATOM 836 CA CYS A 57 13.398 4.935 -2.239 1.00 0.00 C ATOM 837 C CYS A 57 12.851 6.031 -1.335 1.00 0.00 C ATOM 838 O CYS A 57 11.827 5.863 -0.672 1.00 0.00 O ATOM 839 CB CYS A 57 12.769 5.059 -3.635 1.00 0.00 C ATOM 840 SG CYS A 57 12.601 6.777 -4.243 1.00 0.00 S ATOM 0 H CYS A 57 12.218 3.238 -1.891 1.00 0.00 H new ATOM 0 HA CYS A 57 14.478 5.060 -2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.374 4.494 -4.344 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.783 4.595 -3.618 1.00 0.00 H new ATOM 845 N SER A 58 13.536 7.166 -1.347 1.00 0.00 N ATOM 846 CA SER A 58 13.132 8.322 -0.563 1.00 0.00 C ATOM 847 C SER A 58 12.948 9.526 -1.483 1.00 0.00 C ATOM 848 O SER A 58 11.841 10.041 -1.635 1.00 0.00 O ATOM 849 CB SER A 58 14.178 8.631 0.511 1.00 0.00 C ATOM 850 OG SER A 58 14.975 7.493 0.789 1.00 0.00 O ATOM 0 H SER A 58 14.383 7.310 -1.898 1.00 0.00 H new ATOM 0 HA SER A 58 12.186 8.102 -0.068 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.814 9.452 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.681 8.962 1.423 1.00 0.00 H new ATOM 0 HG SER A 58 15.636 7.717 1.477 1.00 0.00 H new ATOM 856 N THR A 59 14.051 9.954 -2.103 1.00 0.00 N ATOM 857 CA THR A 59 14.054 11.091 -3.031 1.00 0.00 C ATOM 858 C THR A 59 13.087 12.190 -2.597 1.00 0.00 C ATOM 859 O THR A 59 12.509 12.882 -3.435 1.00 0.00 O ATOM 860 CB THR A 59 13.714 10.620 -4.453 1.00 0.00 C ATOM 861 OG1 THR A 59 14.118 11.586 -5.408 1.00 0.00 O ATOM 862 CG2 THR A 59 12.237 10.348 -4.678 1.00 0.00 C ATOM 0 H THR A 59 14.967 9.523 -1.977 1.00 0.00 H new ATOM 0 HA THR A 59 15.058 11.515 -3.020 1.00 0.00 H new ATOM 0 HB THR A 59 14.255 9.681 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.749 12.461 -5.164 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.080 10.020 -5.706 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.902 9.569 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.667 11.260 -4.497 1.00 0.00 H new ATOM 870 N ASP A 60 12.912 12.345 -1.288 1.00 0.00 N ATOM 871 CA ASP A 60 12.009 13.357 -0.750 1.00 0.00 C ATOM 872 C ASP A 60 10.551 12.996 -1.029 1.00 0.00 C ATOM 873 O ASP A 60 9.743 12.894 -0.107 1.00 0.00 O ATOM 874 CB ASP A 60 12.328 14.733 -1.340 1.00 0.00 C ATOM 875 CG ASP A 60 12.167 15.848 -0.324 1.00 0.00 C ATOM 876 OD1 ASP A 60 12.370 15.587 0.880 1.00 0.00 O ATOM 877 OD2 ASP A 60 11.838 16.981 -0.734 1.00 0.00 O ATOM 0 H ASP A 60 13.384 11.782 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 60 12.155 13.393 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.350 14.735 -1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.672 14.922 -2.190 1.00 0.00 H new ATOM 882 N ASN A 61 10.218 12.813 -2.305 1.00 0.00 N ATOM 883 CA ASN A 61 8.855 12.476 -2.696 1.00 0.00 C ATOM 884 C ASN A 61 8.729 11.013 -3.124 1.00 0.00 C ATOM 885 O ASN A 61 8.121 10.209 -2.421 1.00 0.00 O ATOM 886 CB ASN A 61 8.391 13.391 -3.832 1.00 0.00 C ATOM 887 CG ASN A 61 7.456 14.482 -3.349 1.00 0.00 C ATOM 888 OD1 ASN A 61 6.884 14.390 -2.263 1.00 0.00 O ATOM 889 ND2 ASN A 61 7.296 15.524 -4.156 1.00 0.00 N ATOM 0 H ASN A 61 10.873 12.893 -3.083 1.00 0.00 H new ATOM 0 HA ASN A 61 8.219 12.624 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.260 13.845 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.887 12.795 -4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.679 16.290 -3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.790 15.559 -5.048 1.00 0.00 H new ATOM 896 N CYS A 62 9.284 10.681 -4.290 1.00 0.00 N ATOM 897 CA CYS A 62 9.207 9.319 -4.825 1.00 0.00 C ATOM 898 C CYS A 62 7.752 8.890 -4.959 1.00 0.00 C ATOM 899 O CYS A 62 7.058 8.690 -3.965 1.00 0.00 O ATOM 900 CB CYS A 62 9.981 8.326 -3.950 1.00 0.00 C ATOM 901 SG CYS A 62 10.669 6.902 -4.866 1.00 0.00 S ATOM 0 H CYS A 62 9.793 11.336 -4.883 1.00 0.00 H new ATOM 0 HA CYS A 62 9.670 9.319 -5.812 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.796 8.854 -3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.319 7.955 -3.167 1.00 0.00 H new ATOM 906 N ASN A 63 7.305 8.767 -6.209 1.00 0.00 N ATOM 907 CA ASN A 63 5.932 8.383 -6.532 1.00 0.00 C ATOM 908 C ASN A 63 5.602 8.753 -7.981 1.00 0.00 C ATOM 909 O ASN A 63 5.626 9.929 -8.342 1.00 0.00 O ATOM 910 CB ASN A 63 4.942 9.081 -5.595 1.00 0.00 C ATOM 911 CG ASN A 63 4.921 10.587 -5.786 1.00 0.00 C ATOM 912 OD1 ASN A 63 5.941 11.198 -6.104 1.00 0.00 O ATOM 913 ND2 ASN A 63 3.755 11.192 -5.591 1.00 0.00 N ATOM 0 H ASN A 63 7.888 8.932 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 63 5.845 7.304 -6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.942 8.683 -5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.203 8.853 -4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.680 12.203 -5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.935 10.646 -5.328 1.00 0.00 H new ATOM 920 N PRO A 64 5.286 7.762 -8.837 1.00 0.00 N ATOM 921 CA PRO A 64 4.953 8.017 -10.243 1.00 0.00 C ATOM 922 C PRO A 64 3.543 8.577 -10.415 1.00 0.00 C ATOM 923 O PRO A 64 2.731 8.022 -11.157 1.00 0.00 O ATOM 924 CB PRO A 64 5.056 6.631 -10.877 1.00 0.00 C ATOM 925 CG PRO A 64 4.703 5.695 -9.774 1.00 0.00 C ATOM 926 CD PRO A 64 5.229 6.324 -8.511 1.00 0.00 C ATOM 0 HA PRO A 64 5.609 8.762 -10.692 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.373 6.528 -11.720 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.060 6.440 -11.255 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.624 5.548 -9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.150 4.714 -9.937 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.572 6.131 -7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.212 5.933 -8.248 1.00 0.00 H new ATOM 934 N PHE A 65 3.257 9.678 -9.727 1.00 0.00 N ATOM 935 CA PHE A 65 1.945 10.311 -9.804 1.00 0.00 C ATOM 936 C PHE A 65 0.848 9.352 -9.347 1.00 0.00 C ATOM 937 O PHE A 65 1.019 8.134 -9.389 1.00 0.00 O ATOM 938 CB PHE A 65 1.665 10.783 -11.232 1.00 0.00 C ATOM 939 CG PHE A 65 2.193 12.158 -11.525 1.00 0.00 C ATOM 940 CD1 PHE A 65 1.573 13.280 -10.996 1.00 0.00 C ATOM 941 CD2 PHE A 65 3.310 12.330 -12.327 1.00 0.00 C ATOM 942 CE1 PHE A 65 2.057 14.546 -11.263 1.00 0.00 C ATOM 943 CE2 PHE A 65 3.798 13.594 -12.598 1.00 0.00 C ATOM 944 CZ PHE A 65 3.171 14.704 -12.065 1.00 0.00 C ATOM 0 H PHE A 65 3.917 10.151 -9.109 1.00 0.00 H new ATOM 0 HA PHE A 65 1.947 11.174 -9.138 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.108 10.076 -11.933 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.589 10.772 -11.405 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.702 13.163 -10.368 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.805 11.466 -12.745 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.565 15.412 -10.845 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.669 13.714 -13.226 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.551 15.693 -12.275 1.00 0.00 H new ATOM 954 N PRO A 66 -0.300 9.892 -8.902 1.00 0.00 N ATOM 955 CA PRO A 66 -1.426 9.076 -8.437 1.00 0.00 C ATOM 956 C PRO A 66 -1.868 8.058 -9.482 1.00 0.00 C ATOM 957 O PRO A 66 -2.123 8.409 -10.634 1.00 0.00 O ATOM 958 CB PRO A 66 -2.535 10.102 -8.187 1.00 0.00 C ATOM 959 CG PRO A 66 -1.821 11.388 -7.958 1.00 0.00 C ATOM 960 CD PRO A 66 -0.590 11.335 -8.817 1.00 0.00 C ATOM 0 HA PRO A 66 -1.167 8.489 -7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.209 10.171 -9.041 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.141 9.827 -7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.449 12.237 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.559 11.507 -6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.767 11.769 -9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.237 11.886 -8.370 1.00 0.00 H new ATOM 968 N THR A 67 -1.958 6.797 -9.074 1.00 0.00 N ATOM 969 CA THR A 67 -2.369 5.732 -9.981 1.00 0.00 C ATOM 970 C THR A 67 -2.843 4.506 -9.206 1.00 0.00 C ATOM 971 O THR A 67 -2.041 3.662 -8.808 1.00 0.00 O ATOM 972 CB THR A 67 -1.214 5.349 -10.907 1.00 0.00 C ATOM 973 OG1 THR A 67 -0.660 6.500 -11.521 1.00 0.00 O ATOM 974 CG2 THR A 67 -1.622 4.394 -12.008 1.00 0.00 C ATOM 0 H THR A 67 -1.753 6.488 -8.124 1.00 0.00 H new ATOM 0 HA THR A 67 -3.200 6.102 -10.581 1.00 0.00 H new ATOM 0 HB THR A 67 -0.484 4.852 -10.268 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.339 7.205 -11.568 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.756 4.163 -12.629 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.008 3.475 -11.568 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.396 4.855 -12.622 1.00 0.00 H new ATOM 982 N ARG A 68 -4.153 4.415 -8.999 1.00 0.00 N ATOM 983 CA ARG A 68 -4.736 3.290 -8.275 1.00 0.00 C ATOM 984 C ARG A 68 -5.373 2.302 -9.247 1.00 0.00 C ATOM 985 O ARG A 68 -6.491 2.513 -9.717 1.00 0.00 O ATOM 986 CB ARG A 68 -5.783 3.776 -7.263 1.00 0.00 C ATOM 987 CG ARG A 68 -5.681 5.258 -6.928 1.00 0.00 C ATOM 988 CD ARG A 68 -6.519 6.104 -7.874 1.00 0.00 C ATOM 989 NE ARG A 68 -7.683 6.683 -7.206 1.00 0.00 N ATOM 990 CZ ARG A 68 -8.633 7.369 -7.836 1.00 0.00 C ATOM 991 NH1 ARG A 68 -8.563 7.564 -9.147 1.00 0.00 N ATOM 992 NH2 ARG A 68 -9.657 7.863 -7.154 1.00 0.00 N ATOM 0 H ARG A 68 -4.831 5.106 -9.322 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.935 2.787 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.778 3.571 -7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.680 3.199 -6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.010 5.423 -5.902 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.639 5.573 -6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.904 6.903 -8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.850 5.491 -8.712 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.772 6.554 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.778 7.187 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.295 8.091 -9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.716 7.717 -6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.385 8.389 -7.637 1.00 0.00 H new ATOM 1006 N LYS A 69 -4.653 1.226 -9.549 1.00 0.00 N ATOM 1007 CA LYS A 69 -5.145 0.206 -10.471 1.00 0.00 C ATOM 1008 C LYS A 69 -5.238 0.758 -11.891 1.00 0.00 C ATOM 1009 O LYS A 69 -4.453 0.387 -12.763 1.00 0.00 O ATOM 1010 CB LYS A 69 -6.513 -0.313 -10.018 1.00 0.00 C ATOM 1011 CG LYS A 69 -6.561 -0.702 -8.550 1.00 0.00 C ATOM 1012 CD LYS A 69 -7.918 -0.393 -7.933 1.00 0.00 C ATOM 1013 CE LYS A 69 -8.602 -1.653 -7.428 1.00 0.00 C ATOM 1014 NZ LYS A 69 -8.974 -2.569 -8.541 1.00 0.00 N ATOM 0 H LYS A 69 -3.726 1.037 -9.169 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.436 -0.622 -10.467 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.264 0.454 -10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.783 -1.178 -10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.348 -1.766 -8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.783 -0.167 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.792 0.309 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.552 0.095 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.939 -2.173 -6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.497 -1.380 -6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.468 -3.400 -8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.600 -2.071 -9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.115 -2.877 -9.039 1.00 0.00 H new ATOM 1028 N ARG A 70 -6.201 1.648 -12.116 1.00 0.00 N ATOM 1029 CA ARG A 70 -6.397 2.256 -13.429 1.00 0.00 C ATOM 1030 C ARG A 70 -7.673 3.097 -13.454 1.00 0.00 C ATOM 1031 O ARG A 70 -7.641 4.275 -13.810 1.00 0.00 O ATOM 1032 CB ARG A 70 -6.455 1.180 -14.519 1.00 0.00 C ATOM 1033 CG ARG A 70 -5.329 1.285 -15.534 1.00 0.00 C ATOM 1034 CD ARG A 70 -5.270 0.060 -16.432 1.00 0.00 C ATOM 1035 NE ARG A 70 -3.899 -0.398 -16.642 1.00 0.00 N ATOM 1036 CZ ARG A 70 -2.965 0.319 -17.264 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -3.250 1.524 -17.742 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -1.742 -0.172 -17.409 1.00 0.00 N ATOM 0 H ARG A 70 -6.859 1.965 -11.404 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.547 2.910 -13.627 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.420 0.197 -14.050 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.410 1.252 -15.039 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.470 2.177 -16.144 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.379 1.401 -15.013 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.857 -0.744 -15.988 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.726 0.293 -17.394 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.642 -1.321 -16.292 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.189 1.906 -17.634 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.530 2.068 -18.217 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.518 -1.098 -17.044 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.026 0.376 -17.885 1.00 0.00 H new ATOM 1052 N PRO A 71 -8.818 2.501 -13.074 1.00 0.00 N ATOM 1053 CA PRO A 71 -10.105 3.205 -13.054 1.00 0.00 C ATOM 1054 C PRO A 71 -10.031 4.526 -12.294 1.00 0.00 C ATOM 1055 O PRO A 71 -10.732 5.479 -12.695 1.00 0.00 O ATOM 1056 CB PRO A 71 -11.035 2.226 -12.336 1.00 0.00 C ATOM 1057 CG PRO A 71 -10.436 0.885 -12.583 1.00 0.00 C ATOM 1058 CD PRO A 71 -8.948 1.099 -12.632 1.00 0.00 C ATOM 1059 OXT PRO A 71 -9.272 4.596 -11.305 1.00 0.00 O ATOM 0 HA PRO A 71 -10.439 3.472 -14.057 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.092 2.444 -11.270 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.050 2.284 -12.728 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.704 0.186 -11.791 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.800 0.461 -13.519 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.487 0.941 -11.657 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.466 0.412 -13.328 1.00 0.00 H new ATOM 1068 N TYR B 181 -27.392 -6.694 -0.501 1.00 0.00 N ATOM 1069 CA TYR B 181 -27.902 -6.811 0.892 1.00 0.00 C ATOM 1070 C TYR B 181 -26.961 -6.131 1.881 1.00 0.00 C ATOM 1071 O TYR B 181 -25.795 -5.886 1.573 1.00 0.00 O ATOM 1072 CB TYR B 181 -28.053 -8.296 1.235 1.00 0.00 C ATOM 1073 CG TYR B 181 -29.375 -8.895 0.798 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -30.111 -8.330 -0.239 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -29.885 -10.026 1.421 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -31.315 -8.875 -0.639 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -31.089 -10.578 1.025 1.00 0.00 C ATOM 1078 CZ TYR B 181 -31.800 -9.999 -0.004 1.00 0.00 C ATOM 1079 OH TYR B 181 -32.998 -10.546 -0.401 1.00 0.00 O ATOM 0 HA TYR B 181 -28.868 -6.312 0.963 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -27.241 -8.852 0.766 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -27.946 -8.423 2.312 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -29.734 -7.450 -0.739 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -29.332 -10.482 2.229 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -31.874 -8.423 -1.445 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -31.471 -11.459 1.520 1.00 0.00 H new ATOM 0 HH TYR B 181 -33.195 -11.334 0.147 1.00 0.00 H new ATOM 1091 N ARG B 182 -27.475 -5.822 3.068 1.00 0.00 N ATOM 1092 CA ARG B 182 -26.677 -5.165 4.096 1.00 0.00 C ATOM 1093 C ARG B 182 -26.159 -3.817 3.591 1.00 0.00 C ATOM 1094 O ARG B 182 -26.794 -3.184 2.747 1.00 0.00 O ATOM 1095 CB ARG B 182 -25.513 -6.068 4.515 1.00 0.00 C ATOM 1096 CG ARG B 182 -25.223 -6.031 6.007 1.00 0.00 C ATOM 1097 CD ARG B 182 -23.735 -6.163 6.289 1.00 0.00 C ATOM 1098 NE ARG B 182 -23.339 -5.435 7.493 1.00 0.00 N ATOM 1099 CZ ARG B 182 -22.105 -5.443 7.992 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -21.144 -6.139 7.395 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -21.830 -4.753 9.090 1.00 0.00 N ATOM 0 H ARG B 182 -28.439 -6.016 3.341 1.00 0.00 H new ATOM 0 HA ARG B 182 -27.307 -4.983 4.967 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -25.736 -7.094 4.222 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -24.617 -5.768 3.971 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -25.592 -5.096 6.427 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -25.761 -6.838 6.503 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -23.480 -7.217 6.402 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -23.170 -5.788 5.436 1.00 0.00 H new ATOM 0 HE ARG B 182 -24.050 -4.889 7.979 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -21.350 -6.671 6.549 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -20.200 -6.141 7.782 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -22.564 -4.216 9.552 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -20.885 -4.759 9.473 1.00 0.00 H new ATOM 1115 N GLY B 183 -25.011 -3.378 4.106 1.00 0.00 N ATOM 1116 CA GLY B 183 -24.447 -2.109 3.681 1.00 0.00 C ATOM 1117 C GLY B 183 -24.117 -2.089 2.201 1.00 0.00 C ATOM 1118 O GLY B 183 -24.921 -2.518 1.373 1.00 0.00 O ATOM 0 H GLY B 183 -24.464 -3.878 4.807 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -25.152 -1.308 3.904 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -23.543 -1.906 4.255 1.00 0.00 H new ATOM 1122 N TRP B 184 -22.933 -1.591 1.862 1.00 0.00 N ATOM 1123 CA TRP B 184 -22.512 -1.522 0.466 1.00 0.00 C ATOM 1124 C TRP B 184 -21.007 -1.741 0.331 1.00 0.00 C ATOM 1125 O TRP B 184 -20.562 -2.822 -0.055 1.00 0.00 O ATOM 1126 CB TRP B 184 -22.909 -0.176 -0.156 1.00 0.00 C ATOM 1127 CG TRP B 184 -22.906 0.971 0.813 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -23.695 1.117 1.918 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -22.074 2.135 0.756 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -23.401 2.300 2.554 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -22.410 2.942 1.859 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -21.077 2.571 -0.120 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -21.783 4.161 2.108 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -20.455 3.781 0.128 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -20.810 4.563 1.234 1.00 0.00 C ATOM 0 H TRP B 184 -22.251 -1.231 2.529 1.00 0.00 H new ATOM 0 HA TRP B 184 -23.022 -2.320 -0.072 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -22.224 0.051 -0.973 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -23.904 -0.268 -0.591 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -24.441 0.407 2.244 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -23.848 2.644 3.404 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -20.797 1.974 -0.975 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -22.055 4.767 2.960 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -19.683 4.129 -0.542 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -20.305 5.503 1.401 1.00 0.00 H new ATOM 1146 N LYS B 185 -20.227 -0.712 0.646 1.00 0.00 N ATOM 1147 CA LYS B 185 -18.774 -0.799 0.554 1.00 0.00 C ATOM 1148 C LYS B 185 -18.170 -1.288 1.867 1.00 0.00 C ATOM 1149 O LYS B 185 -18.428 -0.721 2.929 1.00 0.00 O ATOM 1150 CB LYS B 185 -18.185 0.564 0.182 1.00 0.00 C ATOM 1151 CG LYS B 185 -16.665 0.581 0.128 1.00 0.00 C ATOM 1152 CD LYS B 185 -16.064 1.058 1.441 1.00 0.00 C ATOM 1153 CE LYS B 185 -16.515 2.468 1.783 1.00 0.00 C ATOM 1154 NZ LYS B 185 -17.625 2.470 2.776 1.00 0.00 N ATOM 0 H LYS B 185 -20.576 0.191 0.967 1.00 0.00 H new ATOM 0 HA LYS B 185 -18.527 -1.520 -0.225 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -18.577 0.866 -0.789 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -18.522 1.305 0.907 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -16.297 -0.420 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -16.336 1.233 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -16.353 0.378 2.242 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -14.976 1.029 1.376 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -15.672 3.033 2.180 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -16.839 2.976 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -18.328 3.189 2.510 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -18.077 1.534 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -17.246 2.689 3.720 1.00 0.00 H new ATOM 1168 N HIS B 186 -17.360 -2.340 1.785 1.00 0.00 N ATOM 1169 CA HIS B 186 -16.713 -2.902 2.966 1.00 0.00 C ATOM 1170 C HIS B 186 -15.504 -3.741 2.578 1.00 0.00 C ATOM 1171 O HIS B 186 -15.180 -4.728 3.238 1.00 0.00 O ATOM 1172 CB HIS B 186 -17.703 -3.747 3.770 1.00 0.00 C ATOM 1173 CG HIS B 186 -18.207 -4.948 3.031 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -18.590 -6.113 3.662 1.00 0.00 N ATOM 1175 CD2 HIS B 186 -18.395 -5.162 1.706 1.00 0.00 C ATOM 1176 CE1 HIS B 186 -18.991 -6.991 2.759 1.00 0.00 C ATOM 1177 NE2 HIS B 186 -18.882 -6.438 1.565 1.00 0.00 N ATOM 0 H HIS B 186 -17.136 -2.820 0.913 1.00 0.00 H new ATOM 0 HA HIS B 186 -16.372 -2.074 3.587 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -17.223 -4.074 4.692 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -18.551 -3.124 4.055 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -18.198 -4.460 0.909 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -19.347 -7.990 2.963 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -19.121 -6.886 0.681 1.00 0.00 H new ATOM 1186 N TRP B 187 -14.843 -3.342 1.500 1.00 0.00 N ATOM 1187 CA TRP B 187 -13.672 -4.057 1.015 1.00 0.00 C ATOM 1188 C TRP B 187 -12.839 -3.164 0.099 1.00 0.00 C ATOM 1189 O TRP B 187 -12.713 -3.431 -1.096 1.00 0.00 O ATOM 1190 CB TRP B 187 -14.118 -5.316 0.275 1.00 0.00 C ATOM 1191 CG TRP B 187 -12.996 -6.250 -0.063 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -11.759 -6.291 0.512 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -13.013 -7.284 -1.055 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -11.006 -7.288 -0.061 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -11.754 -7.911 -1.026 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -13.972 -7.740 -1.964 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -11.429 -8.970 -1.870 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -13.649 -8.791 -2.802 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -12.387 -9.396 -2.750 1.00 0.00 C ATOM 0 H TRP B 187 -15.099 -2.526 0.944 1.00 0.00 H new ATOM 0 HA TRP B 187 -13.050 -4.341 1.864 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -14.848 -5.846 0.887 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -14.625 -5.025 -0.645 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -11.421 -5.636 1.302 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -10.047 -7.526 0.191 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -14.948 -7.280 -2.011 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -10.456 -9.438 -1.832 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -14.382 -9.151 -3.508 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -12.165 -10.215 -3.418 1.00 0.00 H new ATOM 1210 N VAL B 188 -12.284 -2.095 0.664 1.00 0.00 N ATOM 1211 CA VAL B 188 -11.479 -1.158 -0.112 1.00 0.00 C ATOM 1212 C VAL B 188 -10.037 -1.098 0.373 1.00 0.00 C ATOM 1213 O VAL B 188 -9.723 -0.410 1.342 1.00 0.00 O ATOM 1214 CB VAL B 188 -12.069 0.260 -0.062 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -11.252 1.206 -0.927 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -13.527 0.248 -0.496 1.00 0.00 C ATOM 0 H VAL B 188 -12.377 -1.857 1.652 1.00 0.00 H new ATOM 0 HA VAL B 188 -11.492 -1.529 -1.137 1.00 0.00 H new ATOM 0 HB VAL B 188 -12.026 0.618 0.967 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -11.683 2.206 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -10.225 1.237 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -11.261 0.855 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -13.927 1.261 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -13.600 -0.129 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -14.100 -0.396 0.171 1.00 0.00 H new ATOM 1226 N TYR B 189 -9.162 -1.806 -0.320 1.00 0.00 N ATOM 1227 CA TYR B 189 -7.754 -1.824 0.028 1.00 0.00 C ATOM 1228 C TYR B 189 -6.900 -1.159 -1.061 1.00 0.00 C ATOM 1229 O TYR B 189 -5.673 -1.118 -0.958 1.00 0.00 O ATOM 1230 CB TYR B 189 -7.297 -3.270 0.261 1.00 0.00 C ATOM 1231 CG TYR B 189 -6.139 -3.693 -0.613 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -6.310 -3.930 -1.972 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -4.869 -3.826 -0.079 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -5.244 -4.295 -2.767 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -3.797 -4.186 -0.865 1.00 0.00 C ATOM 1236 CZ TYR B 189 -3.987 -4.421 -2.211 1.00 0.00 C ATOM 1237 OH TYR B 189 -2.921 -4.781 -3.003 1.00 0.00 O ATOM 0 H TYR B 189 -9.404 -2.377 -1.129 1.00 0.00 H new ATOM 0 HA TYR B 189 -7.620 -1.252 0.946 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -7.012 -3.387 1.307 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -8.138 -3.940 0.083 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -7.291 -3.827 -2.411 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -4.716 -3.644 0.974 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -5.392 -4.482 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -2.813 -4.284 -0.430 1.00 0.00 H new ATOM 0 HH TYR B 189 -3.068 -4.458 -3.916 1.00 0.00 H new ATOM 1247 N TYR B 190 -7.539 -0.653 -2.109 1.00 0.00 N ATOM 1248 CA TYR B 190 -6.806 -0.020 -3.199 1.00 0.00 C ATOM 1249 C TYR B 190 -7.181 1.451 -3.364 1.00 0.00 C ATOM 1250 O TYR B 190 -6.886 2.066 -4.387 1.00 0.00 O ATOM 1251 CB TYR B 190 -7.054 -0.788 -4.487 1.00 0.00 C ATOM 1252 CG TYR B 190 -5.782 -1.216 -5.185 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -4.821 -0.281 -5.553 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -5.537 -2.554 -5.466 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -3.653 -0.669 -6.184 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -4.370 -2.949 -6.095 1.00 0.00 C ATOM 1257 CZ TYR B 190 -3.433 -2.003 -6.451 1.00 0.00 C ATOM 1258 OH TYR B 190 -2.271 -2.394 -7.077 1.00 0.00 O ATOM 0 H TYR B 190 -8.552 -0.668 -2.227 1.00 0.00 H new ATOM 0 HA TYR B 190 -5.744 -0.048 -2.957 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -7.653 -1.671 -4.265 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -7.640 -0.167 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -4.989 0.765 -5.343 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -6.269 -3.298 -5.189 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -2.917 0.070 -6.466 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -4.194 -3.993 -6.306 1.00 0.00 H new ATOM 0 HH TYR B 190 -2.272 -3.367 -7.190 1.00 0.00 H new ATOM 1268 N THR B 191 -7.810 2.007 -2.335 1.00 0.00 N ATOM 1269 CA THR B 191 -8.214 3.419 -2.322 1.00 0.00 C ATOM 1270 C THR B 191 -9.488 3.666 -3.128 1.00 0.00 C ATOM 1271 O THR B 191 -9.652 3.153 -4.235 1.00 0.00 O ATOM 1272 CB THR B 191 -7.087 4.325 -2.841 1.00 0.00 C ATOM 1273 OG1 THR B 191 -7.152 4.460 -4.250 1.00 0.00 O ATOM 1274 CG2 THR B 191 -5.699 3.833 -2.489 1.00 0.00 C ATOM 0 H THR B 191 -8.056 1.498 -1.486 1.00 0.00 H new ATOM 0 HA THR B 191 -8.422 3.669 -1.282 1.00 0.00 H new ATOM 0 HB THR B 191 -7.247 5.282 -2.345 1.00 0.00 H new ATOM 0 HG1 THR B 191 -7.227 3.573 -4.660 1.00 0.00 H new ATOM 0 HG21 THR B 191 -4.956 4.523 -2.889 1.00 0.00 H new ATOM 0 HG22 THR B 191 -5.597 3.777 -1.405 1.00 0.00 H new ATOM 0 HG23 THR B 191 -5.544 2.844 -2.919 1.00 0.00 H new ATOM 1282 N CYS B 192 -10.375 4.473 -2.547 1.00 0.00 N ATOM 1283 CA CYS B 192 -11.654 4.842 -3.158 1.00 0.00 C ATOM 1284 C CYS B 192 -12.557 5.443 -2.121 1.00 0.00 C ATOM 1285 O CYS B 192 -13.332 6.363 -2.383 1.00 0.00 O ATOM 1286 CB CYS B 192 -12.404 3.618 -3.730 1.00 0.00 C ATOM 1287 SG CYS B 192 -13.448 2.686 -2.513 1.00 0.00 S ATOM 0 H CYS B 192 -10.226 4.894 -1.630 1.00 0.00 H new ATOM 0 HA CYS B 192 -11.421 5.542 -3.961 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -13.041 3.953 -4.548 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -11.673 2.932 -4.156 1.00 0.00 H new ATOM 1292 N CYS B 193 -12.525 4.805 -0.971 1.00 0.00 N ATOM 1293 CA CYS B 193 -13.409 5.134 0.105 1.00 0.00 C ATOM 1294 C CYS B 193 -12.770 4.752 1.446 1.00 0.00 C ATOM 1295 O CYS B 193 -11.650 4.243 1.466 1.00 0.00 O ATOM 1296 CB CYS B 193 -14.703 4.346 -0.166 1.00 0.00 C ATOM 1297 SG CYS B 193 -14.985 3.931 -1.950 1.00 0.00 S ATOM 0 H CYS B 193 -11.880 4.042 -0.764 1.00 0.00 H new ATOM 0 HA CYS B 193 -13.618 6.202 0.163 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -14.679 3.421 0.410 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -15.551 4.926 0.198 1.00 0.00 H new ATOM 1302 N PRO B 194 -13.449 5.009 2.586 1.00 0.00 N ATOM 1303 CA PRO B 194 -12.922 4.700 3.919 1.00 0.00 C ATOM 1304 C PRO B 194 -12.145 3.381 3.979 1.00 0.00 C ATOM 1305 O PRO B 194 -12.131 2.610 3.020 1.00 0.00 O ATOM 1306 CB PRO B 194 -14.178 4.620 4.801 1.00 0.00 C ATOM 1307 CG PRO B 194 -15.333 5.062 3.950 1.00 0.00 C ATOM 1308 CD PRO B 194 -14.766 5.643 2.683 1.00 0.00 C ATOM 0 HA PRO B 194 -12.203 5.455 4.237 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -14.332 3.604 5.164 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -14.076 5.260 5.678 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -15.988 4.220 3.726 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -15.935 5.803 4.476 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -15.389 5.411 1.819 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -14.687 6.729 2.737 1.00 0.00 H new ATOM 1316 N ASP B 195 -11.493 3.145 5.121 1.00 0.00 N ATOM 1317 CA ASP B 195 -10.688 1.937 5.344 1.00 0.00 C ATOM 1318 C ASP B 195 -11.281 0.705 4.661 1.00 0.00 C ATOM 1319 O ASP B 195 -12.479 0.650 4.385 1.00 0.00 O ATOM 1320 CB ASP B 195 -10.544 1.674 6.844 1.00 0.00 C ATOM 1321 CG ASP B 195 -9.514 0.603 7.147 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -8.586 0.423 6.331 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -9.636 -0.057 8.201 1.00 0.00 O ATOM 0 H ASP B 195 -11.507 3.783 5.916 1.00 0.00 H new ATOM 0 HA ASP B 195 -9.709 2.118 4.900 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -10.261 2.599 7.347 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -11.509 1.372 7.251 1.00 0.00 H new ATOM 1328 N THR B 196 -10.420 -0.278 4.385 1.00 0.00 N ATOM 1329 CA THR B 196 -10.828 -1.513 3.724 1.00 0.00 C ATOM 1330 C THR B 196 -12.201 -2.002 4.205 1.00 0.00 C ATOM 1331 O THR B 196 -13.134 -2.114 3.409 1.00 0.00 O ATOM 1332 CB THR B 196 -9.775 -2.605 3.924 1.00 0.00 C ATOM 1333 OG1 THR B 196 -8.688 -2.137 4.710 1.00 0.00 O ATOM 1334 CG2 THR B 196 -9.208 -3.105 2.618 1.00 0.00 C ATOM 0 H THR B 196 -9.427 -0.238 4.613 1.00 0.00 H new ATOM 0 HA THR B 196 -10.915 -1.293 2.660 1.00 0.00 H new ATOM 0 HB THR B 196 -10.293 -3.419 4.431 1.00 0.00 H new ATOM 0 HG1 THR B 196 -8.114 -2.892 4.957 1.00 0.00 H new ATOM 0 HG21 THR B 196 -8.466 -3.878 2.816 1.00 0.00 H new ATOM 0 HG22 THR B 196 -10.010 -3.520 2.008 1.00 0.00 H new ATOM 0 HG23 THR B 196 -8.738 -2.278 2.085 1.00 0.00 H new ATOM 1342 N PRO B 197 -12.352 -2.304 5.513 1.00 0.00 N ATOM 1343 CA PRO B 197 -13.625 -2.780 6.068 1.00 0.00 C ATOM 1344 C PRO B 197 -14.711 -1.712 6.027 1.00 0.00 C ATOM 1345 O PRO B 197 -15.865 -1.997 5.709 1.00 0.00 O ATOM 1346 CB PRO B 197 -13.292 -3.135 7.524 1.00 0.00 C ATOM 1347 CG PRO B 197 -11.803 -3.159 7.602 1.00 0.00 C ATOM 1348 CD PRO B 197 -11.312 -2.211 6.549 1.00 0.00 C ATOM 0 HA PRO B 197 -14.017 -3.619 5.494 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -13.708 -2.399 8.212 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -13.714 -4.102 7.798 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -11.460 -2.854 8.591 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -11.421 -4.165 7.429 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -11.214 -1.196 6.933 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -10.334 -2.503 6.167 1.00 0.00 H new ATOM 1356 N TYR B 198 -14.336 -0.481 6.357 1.00 0.00 N ATOM 1357 CA TYR B 198 -15.281 0.630 6.364 1.00 0.00 C ATOM 1358 C TYR B 198 -15.441 1.219 4.966 1.00 0.00 C ATOM 1359 O TYR B 198 -14.925 0.610 4.005 1.00 0.00 O ATOM 1360 CB TYR B 198 -14.818 1.712 7.343 1.00 0.00 C ATOM 1361 CG TYR B 198 -15.776 1.939 8.492 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -17.146 2.011 8.275 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -15.309 2.080 9.793 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -18.024 2.218 9.322 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -16.181 2.287 10.845 1.00 0.00 C ATOM 1366 CZ TYR B 198 -17.537 2.356 10.604 1.00 0.00 C ATOM 1367 OH TYR B 198 -18.408 2.562 11.649 1.00 0.00 O ATOM 0 H TYR B 198 -13.385 -0.227 6.623 1.00 0.00 H new ATOM 0 HA TYR B 198 -16.250 0.250 6.687 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -13.843 1.435 7.743 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -14.686 2.648 6.801 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -17.531 1.903 7.272 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -14.248 2.027 9.985 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -19.087 2.271 9.137 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -15.802 2.394 11.851 1.00 0.00 H new ATOM 0 HH TYR B 198 -17.903 2.637 12.486 1.00 0.00 H new