USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 711 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 41 CYS SG : rot 180:sc= -5.75! USER MOD Set 1.2: A 51 THR OG1 : rot 76:sc= 1.08 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0213 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -134:sc= 0.54 USER MOD Single : A 16 ASN : amide:sc= -0.659 K(o=-0.66,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -101:sc= 0.491 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 76:sc= 0.0435 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00301 X(o=-0.003,f=-0.011) USER MOD Single : A 42 SER OG : rot 62:sc= 0.994 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -136:sc= -3.25! USER MOD Single : A 50 HIS :FLIP no HE2:sc= -1.66! C(o=-2.2!,f=-1.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 120:sc= -0.39 USER MOD Single : A 60 GLN : amide:sc= -0.0228 K(o=-0.023,f=-0.63) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0008 USER MOD Single : A 70 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.14) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.883 USER MOD Single : A 80 MET CE :methyl -146:sc= -2 (180deg=-4.42!) USER MOD Single : A 83 ASN : amide:sc=-0.00309 X(o=-0.0031,f=-0.1) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 41:sc= 0.767 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.274 -16.674 16.064 1.00 0.00 N ATOM 2 CA GLY A 1 -0.466 -18.071 15.712 1.00 0.00 C ATOM 3 C GLY A 1 -0.189 -18.305 14.226 1.00 0.00 C ATOM 4 O GLY A 1 -0.521 -17.467 13.389 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.088 -16.341 16.618 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.593 -16.574 16.629 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.189 -16.106 15.197 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.196 -18.695 16.312 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.487 -18.372 15.947 1.00 0.00 H new ATOM 8 N SER A 2 0.418 -19.449 13.943 1.00 0.00 N ATOM 9 CA SER A 2 0.744 -19.803 12.572 1.00 0.00 C ATOM 10 C SER A 2 0.959 -21.314 12.460 1.00 0.00 C ATOM 11 O SER A 2 1.679 -21.904 13.264 1.00 0.00 O ATOM 12 CB SER A 2 1.987 -19.053 12.090 1.00 0.00 C ATOM 13 OG SER A 2 2.154 -19.149 10.678 1.00 0.00 O ATOM 0 H SER A 2 0.692 -20.142 14.639 1.00 0.00 H new ATOM 0 HA SER A 2 -0.092 -19.512 11.935 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.911 -18.004 12.376 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.869 -19.456 12.588 1.00 0.00 H new ATOM 0 HG SER A 2 2.957 -18.656 10.409 1.00 0.00 H new ATOM 19 N SER A 3 0.322 -21.897 11.455 1.00 0.00 N ATOM 20 CA SER A 3 0.434 -23.328 11.227 1.00 0.00 C ATOM 21 C SER A 3 -0.117 -23.682 9.845 1.00 0.00 C ATOM 22 O SER A 3 -0.875 -22.912 9.258 1.00 0.00 O ATOM 23 CB SER A 3 -0.302 -24.118 12.311 1.00 0.00 C ATOM 24 OG SER A 3 0.593 -24.872 13.124 1.00 0.00 O ATOM 0 H SER A 3 -0.273 -21.404 10.789 1.00 0.00 H new ATOM 0 HA SER A 3 1.489 -23.600 11.271 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.869 -23.430 12.938 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.021 -24.791 11.844 1.00 0.00 H new ATOM 0 HG SER A 3 0.084 -25.360 13.804 1.00 0.00 H new ATOM 30 N GLY A 4 0.286 -24.849 9.364 1.00 0.00 N ATOM 31 CA GLY A 4 -0.158 -25.315 8.061 1.00 0.00 C ATOM 32 C GLY A 4 0.389 -24.424 6.944 1.00 0.00 C ATOM 33 O GLY A 4 0.822 -23.301 7.197 1.00 0.00 O ATOM 0 H GLY A 4 0.915 -25.486 9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.172 -26.342 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.247 -25.322 8.025 1.00 0.00 H new ATOM 37 N SER A 5 0.351 -24.958 5.732 1.00 0.00 N ATOM 38 CA SER A 5 0.837 -24.224 4.576 1.00 0.00 C ATOM 39 C SER A 5 -0.325 -23.902 3.634 1.00 0.00 C ATOM 40 O SER A 5 -1.371 -24.547 3.689 1.00 0.00 O ATOM 41 CB SER A 5 1.916 -25.017 3.835 1.00 0.00 C ATOM 42 OG SER A 5 3.118 -24.267 3.682 1.00 0.00 O ATOM 0 H SER A 5 -0.009 -25.890 5.526 1.00 0.00 H new ATOM 0 HA SER A 5 1.283 -23.292 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.129 -25.936 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.542 -25.308 2.853 1.00 0.00 H new ATOM 0 HG SER A 5 3.783 -24.808 3.206 1.00 0.00 H new ATOM 48 N SER A 6 -0.103 -22.903 2.792 1.00 0.00 N ATOM 49 CA SER A 6 -1.119 -22.487 1.840 1.00 0.00 C ATOM 50 C SER A 6 -0.486 -21.632 0.741 1.00 0.00 C ATOM 51 O SER A 6 0.310 -20.738 1.025 1.00 0.00 O ATOM 52 CB SER A 6 -2.241 -21.714 2.535 1.00 0.00 C ATOM 53 OG SER A 6 -1.741 -20.630 3.313 1.00 0.00 O ATOM 0 H SER A 6 0.765 -22.370 2.749 1.00 0.00 H new ATOM 0 HA SER A 6 -1.554 -23.380 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.936 -21.333 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.804 -22.391 3.177 1.00 0.00 H new ATOM 0 HG SER A 6 -2.489 -20.161 3.739 1.00 0.00 H new ATOM 59 N GLY A 7 -0.865 -21.935 -0.492 1.00 0.00 N ATOM 60 CA GLY A 7 -0.344 -21.205 -1.636 1.00 0.00 C ATOM 61 C GLY A 7 -0.372 -19.696 -1.382 1.00 0.00 C ATOM 62 O GLY A 7 -1.367 -19.164 -0.893 1.00 0.00 O ATOM 0 H GLY A 7 -1.527 -22.676 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.678 -21.524 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.935 -21.439 -2.521 1.00 0.00 H new ATOM 66 N GLU A 8 0.733 -19.051 -1.725 1.00 0.00 N ATOM 67 CA GLU A 8 0.848 -17.614 -1.541 1.00 0.00 C ATOM 68 C GLU A 8 -0.203 -16.885 -2.380 1.00 0.00 C ATOM 69 O GLU A 8 -0.906 -16.010 -1.877 1.00 0.00 O ATOM 70 CB GLU A 8 2.258 -17.128 -1.884 1.00 0.00 C ATOM 71 CG GLU A 8 2.590 -17.404 -3.352 1.00 0.00 C ATOM 72 CD GLU A 8 4.069 -17.140 -3.638 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.430 -15.946 -3.705 1.00 0.00 O ATOM 74 OE2 GLU A 8 4.806 -18.140 -3.784 1.00 0.00 O ATOM 0 H GLU A 8 1.557 -19.497 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 8 0.667 -17.387 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.337 -16.059 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.985 -17.627 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.348 -18.439 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.974 -16.773 -3.993 1.00 0.00 H new ATOM 81 N LYS A 9 -0.277 -17.273 -3.645 1.00 0.00 N ATOM 82 CA LYS A 9 -1.231 -16.667 -4.558 1.00 0.00 C ATOM 83 C LYS A 9 -1.122 -15.144 -4.466 1.00 0.00 C ATOM 84 O LYS A 9 -2.099 -14.466 -4.150 1.00 0.00 O ATOM 85 CB LYS A 9 -2.640 -17.200 -4.293 1.00 0.00 C ATOM 86 CG LYS A 9 -2.685 -18.724 -4.430 1.00 0.00 C ATOM 87 CD LYS A 9 -3.804 -19.318 -3.572 1.00 0.00 C ATOM 88 CE LYS A 9 -5.031 -19.648 -4.423 1.00 0.00 C ATOM 89 NZ LYS A 9 -6.259 -19.112 -3.793 1.00 0.00 N ATOM 0 H LYS A 9 0.308 -17.999 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.000 -16.942 -5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.959 -16.912 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.342 -16.747 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.840 -18.995 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.727 -19.148 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.447 -20.221 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.080 -18.612 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.913 -19.225 -5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.118 -20.728 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.082 -19.345 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.379 -19.535 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.180 -18.079 -3.702 1.00 0.00 H new ATOM 103 N THR A 10 0.075 -14.650 -4.748 1.00 0.00 N ATOM 104 CA THR A 10 0.324 -13.219 -4.701 1.00 0.00 C ATOM 105 C THR A 10 0.117 -12.596 -6.083 1.00 0.00 C ATOM 106 O THR A 10 0.293 -13.264 -7.101 1.00 0.00 O ATOM 107 CB THR A 10 1.731 -13.003 -4.141 1.00 0.00 C ATOM 108 OG1 THR A 10 2.498 -14.059 -4.711 1.00 0.00 O ATOM 109 CG2 THR A 10 1.807 -13.258 -2.634 1.00 0.00 C ATOM 0 H THR A 10 0.883 -15.215 -5.010 1.00 0.00 H new ATOM 0 HA THR A 10 -0.384 -12.715 -4.043 1.00 0.00 H new ATOM 0 HB THR A 10 2.053 -11.984 -4.353 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.054 -14.471 -4.017 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.827 -13.091 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.131 -12.578 -2.115 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.517 -14.287 -2.424 1.00 0.00 H new ATOM 117 N VAL A 11 -0.252 -11.324 -6.074 1.00 0.00 N ATOM 118 CA VAL A 11 -0.484 -10.603 -7.314 1.00 0.00 C ATOM 119 C VAL A 11 0.584 -9.519 -7.476 1.00 0.00 C ATOM 120 O VAL A 11 1.294 -9.195 -6.526 1.00 0.00 O ATOM 121 CB VAL A 11 -1.909 -10.047 -7.337 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.935 -11.174 -7.475 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.188 -9.200 -6.094 1.00 0.00 C ATOM 0 H VAL A 11 -0.396 -10.774 -5.227 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.398 -11.274 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.002 -9.401 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.940 -10.752 -7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.757 -11.717 -8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.840 -11.858 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.208 -8.817 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.067 -9.813 -5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.488 -8.365 -6.058 1.00 0.00 H new ATOM 133 N ARG A 12 0.663 -8.988 -8.688 1.00 0.00 N ATOM 134 CA ARG A 12 1.632 -7.948 -8.987 1.00 0.00 C ATOM 135 C ARG A 12 1.041 -6.569 -8.683 1.00 0.00 C ATOM 136 O ARG A 12 0.110 -6.128 -9.355 1.00 0.00 O ATOM 137 CB ARG A 12 2.061 -7.999 -10.455 1.00 0.00 C ATOM 138 CG ARG A 12 3.195 -9.006 -10.659 1.00 0.00 C ATOM 139 CD ARG A 12 3.744 -8.930 -12.086 1.00 0.00 C ATOM 140 NE ARG A 12 3.776 -10.282 -12.688 1.00 0.00 N ATOM 141 CZ ARG A 12 2.733 -10.855 -13.303 1.00 0.00 C ATOM 142 NH1 ARG A 12 1.569 -10.198 -13.401 1.00 0.00 N ATOM 143 NH2 ARG A 12 2.853 -12.085 -13.820 1.00 0.00 N ATOM 0 H ARG A 12 0.072 -9.259 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 12 2.506 -8.119 -8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.209 -8.274 -11.077 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.386 -7.010 -10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.995 -8.807 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.832 -10.014 -10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.122 -8.269 -12.689 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.747 -8.503 -12.077 1.00 0.00 H new ATOM 0 HE ARG A 12 4.647 -10.810 -12.631 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.477 -9.262 -13.007 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.775 -10.634 -13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.739 -12.585 -13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.059 -12.521 -14.288 1.00 0.00 H new ATOM 157 N VAL A 13 1.606 -5.928 -7.671 1.00 0.00 N ATOM 158 CA VAL A 13 1.147 -4.609 -7.271 1.00 0.00 C ATOM 159 C VAL A 13 2.248 -3.584 -7.550 1.00 0.00 C ATOM 160 O VAL A 13 3.426 -3.854 -7.320 1.00 0.00 O ATOM 161 CB VAL A 13 0.708 -4.630 -5.806 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.389 -3.219 -5.308 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.487 -5.565 -5.605 1.00 0.00 C ATOM 0 H VAL A 13 2.378 -6.298 -7.116 1.00 0.00 H new ATOM 0 HA VAL A 13 0.274 -4.316 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 13 1.538 -5.014 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.080 -3.263 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.276 -2.592 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.417 -2.795 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.779 -5.562 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.323 -5.223 -6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.211 -6.577 -5.901 1.00 0.00 H new ATOM 173 N VAL A 14 1.825 -2.428 -8.042 1.00 0.00 N ATOM 174 CA VAL A 14 2.761 -1.362 -8.356 1.00 0.00 C ATOM 175 C VAL A 14 2.836 -0.392 -7.174 1.00 0.00 C ATOM 176 O VAL A 14 1.819 0.153 -6.748 1.00 0.00 O ATOM 177 CB VAL A 14 2.357 -0.679 -9.664 1.00 0.00 C ATOM 178 CG1 VAL A 14 3.342 0.433 -10.029 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.235 -1.697 -10.799 1.00 0.00 C ATOM 0 H VAL A 14 0.847 -2.207 -8.231 1.00 0.00 H new ATOM 0 HA VAL A 14 3.762 -1.765 -8.511 1.00 0.00 H new ATOM 0 HB VAL A 14 1.378 -0.224 -9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.032 0.902 -10.963 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.358 1.180 -9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.340 0.010 -10.149 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.947 -1.185 -11.717 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.194 -2.194 -10.946 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.477 -2.438 -10.543 1.00 0.00 H new ATOM 189 N ILE A 15 4.051 -0.207 -6.679 1.00 0.00 N ATOM 190 CA ILE A 15 4.273 0.687 -5.555 1.00 0.00 C ATOM 191 C ILE A 15 4.941 1.970 -6.053 1.00 0.00 C ATOM 192 O ILE A 15 6.164 2.031 -6.171 1.00 0.00 O ATOM 193 CB ILE A 15 5.055 -0.025 -4.450 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.405 -1.363 -4.092 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.220 0.877 -3.226 1.00 0.00 C ATOM 196 CD1 ILE A 15 3.051 -1.151 -3.412 1.00 0.00 C ATOM 0 H ILE A 15 4.892 -0.661 -7.036 1.00 0.00 H new ATOM 0 HA ILE A 15 3.323 0.976 -5.105 1.00 0.00 H new ATOM 0 HB ILE A 15 6.054 -0.243 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.273 -1.960 -4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.064 -1.926 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.779 0.346 -2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.760 1.780 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.238 1.148 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.611 -2.118 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.189 -0.574 -2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.387 -0.609 -4.085 1.00 0.00 H new ATOM 208 N ASN A 16 4.109 2.962 -6.332 1.00 0.00 N ATOM 209 CA ASN A 16 4.604 4.240 -6.815 1.00 0.00 C ATOM 210 C ASN A 16 4.994 5.115 -5.622 1.00 0.00 C ATOM 211 O ASN A 16 4.179 5.358 -4.734 1.00 0.00 O ATOM 212 CB ASN A 16 3.530 4.981 -7.614 1.00 0.00 C ATOM 213 CG ASN A 16 3.429 4.432 -9.038 1.00 0.00 C ATOM 214 OD1 ASN A 16 4.282 4.660 -9.881 1.00 0.00 O ATOM 215 ND2 ASN A 16 2.342 3.699 -9.260 1.00 0.00 N ATOM 0 H ASN A 16 3.095 2.907 -6.233 1.00 0.00 H new ATOM 0 HA ASN A 16 5.463 4.047 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.567 4.883 -7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.765 6.045 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.183 3.289 -10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.667 3.547 -8.510 1.00 0.00 H new ATOM 222 N PHE A 17 6.241 5.564 -5.641 1.00 0.00 N ATOM 223 CA PHE A 17 6.748 6.407 -4.572 1.00 0.00 C ATOM 224 C PHE A 17 7.695 7.477 -5.119 1.00 0.00 C ATOM 225 O PHE A 17 8.247 7.324 -6.208 1.00 0.00 O ATOM 226 CB PHE A 17 7.524 5.498 -3.616 1.00 0.00 C ATOM 227 CG PHE A 17 8.865 5.012 -4.169 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.981 5.773 -4.013 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.941 3.819 -4.818 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.226 5.322 -4.526 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.185 3.368 -5.332 1.00 0.00 C ATOM 232 CZ PHE A 17 11.302 4.129 -5.175 1.00 0.00 C ATOM 0 H PHE A 17 6.914 5.360 -6.379 1.00 0.00 H new ATOM 0 HA PHE A 17 5.921 6.912 -4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.700 6.035 -2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.908 4.632 -3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.921 6.721 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.055 3.215 -4.942 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.112 5.926 -4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.245 2.421 -5.848 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.249 3.786 -5.566 1.00 0.00 H new ATOM 242 N LYS A 18 7.854 8.536 -4.340 1.00 0.00 N ATOM 243 CA LYS A 18 8.724 9.631 -4.733 1.00 0.00 C ATOM 244 C LYS A 18 8.119 10.350 -5.940 1.00 0.00 C ATOM 245 O LYS A 18 8.777 11.177 -6.570 1.00 0.00 O ATOM 246 CB LYS A 18 10.149 9.125 -4.969 1.00 0.00 C ATOM 247 CG LYS A 18 11.018 9.336 -3.729 1.00 0.00 C ATOM 248 CD LYS A 18 12.505 9.228 -4.076 1.00 0.00 C ATOM 249 CE LYS A 18 13.267 8.463 -2.992 1.00 0.00 C ATOM 250 NZ LYS A 18 14.137 9.381 -2.224 1.00 0.00 N ATOM 0 H LYS A 18 7.395 8.659 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 18 8.800 10.364 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.125 8.066 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.588 9.648 -5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.812 10.316 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.763 8.595 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.623 8.722 -5.034 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.929 10.226 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.562 7.974 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.870 7.678 -3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.647 8.846 -1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.822 9.829 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.555 10.115 -1.773 1.00 0.00 H new ATOM 264 N LYS A 19 6.871 10.008 -6.228 1.00 0.00 N ATOM 265 CA LYS A 19 6.169 10.611 -7.348 1.00 0.00 C ATOM 266 C LYS A 19 7.099 10.654 -8.563 1.00 0.00 C ATOM 267 O LYS A 19 6.990 11.548 -9.401 1.00 0.00 O ATOM 268 CB LYS A 19 5.607 11.978 -6.956 1.00 0.00 C ATOM 269 CG LYS A 19 4.189 11.848 -6.396 1.00 0.00 C ATOM 270 CD LYS A 19 3.680 13.193 -5.872 1.00 0.00 C ATOM 271 CE LYS A 19 2.702 13.831 -6.861 1.00 0.00 C ATOM 272 NZ LYS A 19 1.738 14.699 -6.149 1.00 0.00 N ATOM 0 H LYS A 19 6.328 9.321 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 19 5.306 10.006 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.255 12.442 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.600 12.635 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.520 11.480 -7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.178 11.113 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.189 13.050 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.522 13.864 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.251 14.416 -7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.167 13.053 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.082 15.124 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.202 14.132 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.252 15.452 -5.649 1.00 0.00 H new ATOM 286 N THR A 20 7.992 9.676 -8.619 1.00 0.00 N ATOM 287 CA THR A 20 8.940 9.592 -9.717 1.00 0.00 C ATOM 288 C THR A 20 9.382 8.142 -9.929 1.00 0.00 C ATOM 289 O THR A 20 9.403 7.654 -11.058 1.00 0.00 O ATOM 290 CB THR A 20 10.099 10.543 -9.416 1.00 0.00 C ATOM 291 OG1 THR A 20 10.428 10.270 -8.056 1.00 0.00 O ATOM 292 CG2 THR A 20 9.665 12.010 -9.407 1.00 0.00 C ATOM 0 H THR A 20 8.079 8.936 -7.922 1.00 0.00 H new ATOM 0 HA THR A 20 8.484 9.901 -10.658 1.00 0.00 H new ATOM 0 HB THR A 20 10.886 10.402 -10.157 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.039 10.961 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.525 12.643 -9.188 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.258 12.275 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.902 12.159 -8.643 1.00 0.00 H new ATOM 300 N GLN A 21 9.725 7.495 -8.825 1.00 0.00 N ATOM 301 CA GLN A 21 10.166 6.111 -8.875 1.00 0.00 C ATOM 302 C GLN A 21 9.019 5.174 -8.492 1.00 0.00 C ATOM 303 O GLN A 21 8.050 5.598 -7.863 1.00 0.00 O ATOM 304 CB GLN A 21 11.380 5.890 -7.971 1.00 0.00 C ATOM 305 CG GLN A 21 12.651 6.452 -8.612 1.00 0.00 C ATOM 306 CD GLN A 21 13.882 6.131 -7.762 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.836 6.103 -6.543 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.981 5.892 -8.471 1.00 0.00 N ATOM 0 H GLN A 21 9.707 7.903 -7.890 1.00 0.00 H new ATOM 0 HA GLN A 21 10.469 5.883 -9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.212 6.370 -7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.506 4.824 -7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.775 6.033 -9.611 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.557 7.532 -8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.949 5.932 -9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.856 5.669 -7.996 1.00 0.00 H new ATOM 317 N LYS A 22 9.166 3.918 -8.887 1.00 0.00 N ATOM 318 CA LYS A 22 8.154 2.918 -8.593 1.00 0.00 C ATOM 319 C LYS A 22 8.825 1.553 -8.429 1.00 0.00 C ATOM 320 O LYS A 22 9.920 1.329 -8.945 1.00 0.00 O ATOM 321 CB LYS A 22 7.054 2.939 -9.656 1.00 0.00 C ATOM 322 CG LYS A 22 7.637 3.223 -11.042 1.00 0.00 C ATOM 323 CD LYS A 22 7.070 2.257 -12.084 1.00 0.00 C ATOM 324 CE LYS A 22 8.081 1.159 -12.421 1.00 0.00 C ATOM 325 NZ LYS A 22 7.420 0.051 -13.146 1.00 0.00 N ATOM 0 H LYS A 22 9.971 3.570 -9.408 1.00 0.00 H new ATOM 0 HA LYS A 22 7.657 3.145 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.534 1.981 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.315 3.700 -9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.412 4.249 -11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.723 3.132 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.152 1.807 -11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.808 2.805 -12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.885 1.571 -13.030 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.536 0.782 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.120 -0.686 -13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.668 -0.353 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.007 0.412 -14.029 1.00 0.00 H new ATOM 339 N THR A 23 8.141 0.675 -7.710 1.00 0.00 N ATOM 340 CA THR A 23 8.658 -0.663 -7.473 1.00 0.00 C ATOM 341 C THR A 23 7.515 -1.680 -7.458 1.00 0.00 C ATOM 342 O THR A 23 6.433 -1.396 -6.947 1.00 0.00 O ATOM 343 CB THR A 23 9.464 -0.634 -6.173 1.00 0.00 C ATOM 344 OG1 THR A 23 10.097 -1.910 -6.129 1.00 0.00 O ATOM 345 CG2 THR A 23 8.571 -0.619 -4.930 1.00 0.00 C ATOM 0 H THR A 23 7.234 0.864 -7.284 1.00 0.00 H new ATOM 0 HA THR A 23 9.323 -0.980 -8.277 1.00 0.00 H new ATOM 0 HB THR A 23 10.110 0.244 -6.166 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.643 -1.977 -5.318 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.193 -0.599 -4.035 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.935 0.266 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.948 -1.514 -4.919 1.00 0.00 H new ATOM 353 N ILE A 24 7.796 -2.845 -8.023 1.00 0.00 N ATOM 354 CA ILE A 24 6.805 -3.907 -8.081 1.00 0.00 C ATOM 355 C ILE A 24 7.064 -4.902 -6.949 1.00 0.00 C ATOM 356 O ILE A 24 8.214 -5.166 -6.600 1.00 0.00 O ATOM 357 CB ILE A 24 6.786 -4.547 -9.471 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.182 -3.595 -10.505 1.00 0.00 C ATOM 359 CG2 ILE A 24 6.065 -5.896 -9.443 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.657 -3.710 -10.531 1.00 0.00 C ATOM 0 H ILE A 24 8.695 -3.077 -8.445 1.00 0.00 H new ATOM 0 HA ILE A 24 5.804 -3.503 -7.928 1.00 0.00 H new ATOM 0 HB ILE A 24 7.816 -4.738 -9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.469 -2.570 -10.272 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.584 -3.822 -11.492 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.065 -6.330 -10.443 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.578 -6.569 -8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.037 -5.752 -9.110 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.253 -3.023 -11.274 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.373 -4.731 -10.788 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.256 -3.459 -9.549 1.00 0.00 H new ATOM 372 N VAL A 25 5.976 -5.429 -6.406 1.00 0.00 N ATOM 373 CA VAL A 25 6.072 -6.390 -5.320 1.00 0.00 C ATOM 374 C VAL A 25 4.944 -7.416 -5.453 1.00 0.00 C ATOM 375 O VAL A 25 3.895 -7.120 -6.022 1.00 0.00 O ATOM 376 CB VAL A 25 6.062 -5.662 -3.975 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.209 -4.653 -3.889 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.714 -4.982 -3.729 1.00 0.00 C ATOM 0 H VAL A 25 5.024 -5.209 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 25 7.015 -6.934 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 25 6.210 -6.405 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.179 -4.149 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.160 -5.174 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.106 -3.916 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.734 -4.472 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.523 -4.257 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.923 -5.732 -3.726 1.00 0.00 H new ATOM 388 N ARG A 26 5.200 -8.601 -4.917 1.00 0.00 N ATOM 389 CA ARG A 26 4.220 -9.672 -4.969 1.00 0.00 C ATOM 390 C ARG A 26 3.571 -9.864 -3.596 1.00 0.00 C ATOM 391 O ARG A 26 4.201 -10.377 -2.674 1.00 0.00 O ATOM 392 CB ARG A 26 4.865 -10.988 -5.408 1.00 0.00 C ATOM 393 CG ARG A 26 4.314 -11.443 -6.761 1.00 0.00 C ATOM 394 CD ARG A 26 5.373 -12.212 -7.554 1.00 0.00 C ATOM 395 NE ARG A 26 4.723 -13.049 -8.587 1.00 0.00 N ATOM 396 CZ ARG A 26 5.389 -13.748 -9.516 1.00 0.00 C ATOM 397 NH1 ARG A 26 6.729 -13.715 -9.547 1.00 0.00 N ATOM 398 NH2 ARG A 26 4.717 -14.480 -10.414 1.00 0.00 N ATOM 0 H ARG A 26 6.071 -8.842 -4.445 1.00 0.00 H new ATOM 0 HA ARG A 26 3.460 -9.391 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.946 -10.863 -5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.679 -11.757 -4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.439 -12.075 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.984 -10.576 -7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.066 -11.514 -8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.959 -12.839 -6.882 1.00 0.00 H new ATOM 0 HE ARG A 26 3.704 -13.097 -8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.241 -13.158 -8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.236 -14.247 -10.254 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.698 -14.506 -10.391 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.225 -15.012 -11.121 1.00 0.00 H new ATOM 412 N VAL A 27 2.318 -9.441 -3.505 1.00 0.00 N ATOM 413 CA VAL A 27 1.577 -9.559 -2.261 1.00 0.00 C ATOM 414 C VAL A 27 0.238 -10.248 -2.534 1.00 0.00 C ATOM 415 O VAL A 27 -0.132 -10.459 -3.688 1.00 0.00 O ATOM 416 CB VAL A 27 1.420 -8.183 -1.612 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.624 -7.854 -0.726 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.206 -7.099 -2.670 1.00 0.00 C ATOM 0 H VAL A 27 1.798 -9.016 -4.273 1.00 0.00 H new ATOM 0 HA VAL A 27 2.122 -10.178 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 27 0.534 -8.211 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.487 -6.870 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.712 -8.603 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.531 -7.854 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.097 -6.131 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.064 -7.072 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.304 -7.321 -3.241 1.00 0.00 H new ATOM 428 N SER A 28 -0.452 -10.579 -1.453 1.00 0.00 N ATOM 429 CA SER A 28 -1.742 -11.239 -1.561 1.00 0.00 C ATOM 430 C SER A 28 -2.857 -10.196 -1.662 1.00 0.00 C ATOM 431 O SER A 28 -2.871 -9.222 -0.911 1.00 0.00 O ATOM 432 CB SER A 28 -1.989 -12.165 -0.368 1.00 0.00 C ATOM 433 OG SER A 28 -2.284 -13.497 -0.779 1.00 0.00 O ATOM 0 H SER A 28 -0.142 -10.402 -0.497 1.00 0.00 H new ATOM 0 HA SER A 28 -1.739 -11.848 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.109 -12.170 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.816 -11.777 0.227 1.00 0.00 H new ATOM 0 HG SER A 28 -1.460 -13.939 -1.071 1.00 0.00 H new ATOM 439 N PRO A 29 -3.788 -10.441 -2.622 1.00 0.00 N ATOM 440 CA PRO A 29 -4.904 -9.535 -2.831 1.00 0.00 C ATOM 441 C PRO A 29 -5.951 -9.690 -1.726 1.00 0.00 C ATOM 442 O PRO A 29 -6.876 -8.885 -1.625 1.00 0.00 O ATOM 443 CB PRO A 29 -5.440 -9.882 -4.211 1.00 0.00 C ATOM 444 CG PRO A 29 -4.907 -11.270 -4.527 1.00 0.00 C ATOM 445 CD PRO A 29 -3.804 -11.584 -3.530 1.00 0.00 C ATOM 0 HA PRO A 29 -4.609 -8.487 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.530 -9.870 -4.221 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.106 -9.157 -4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.705 -12.010 -4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.523 -11.308 -5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.006 -12.512 -2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.843 -11.707 -4.029 1.00 0.00 H new ATOM 453 N HIS A 30 -5.771 -10.730 -0.926 1.00 0.00 N ATOM 454 CA HIS A 30 -6.688 -11.001 0.167 1.00 0.00 C ATOM 455 C HIS A 30 -6.368 -10.080 1.346 1.00 0.00 C ATOM 456 O HIS A 30 -7.200 -9.268 1.748 1.00 0.00 O ATOM 457 CB HIS A 30 -6.658 -12.483 0.547 1.00 0.00 C ATOM 458 CG HIS A 30 -7.423 -13.376 -0.400 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.789 -13.576 -0.304 1.00 0.00 N ATOM 460 CD2 HIS A 30 -7.000 -14.118 -1.463 1.00 0.00 C ATOM 461 CE1 HIS A 30 -9.160 -14.403 -1.270 1.00 0.00 C ATOM 462 NE2 HIS A 30 -8.050 -14.738 -1.987 1.00 0.00 N ATOM 0 H HIS A 30 -5.003 -11.396 -1.013 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.709 -10.787 -0.149 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.621 -12.816 0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.068 -12.599 1.550 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.983 -14.189 -1.818 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.165 -14.751 -1.457 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.030 -15.362 -2.793 1.00 0.00 H new ATOM 470 N ALA A 31 -5.161 -10.238 1.868 1.00 0.00 N ATOM 471 CA ALA A 31 -4.720 -9.431 2.993 1.00 0.00 C ATOM 472 C ALA A 31 -5.090 -7.968 2.741 1.00 0.00 C ATOM 473 O ALA A 31 -5.158 -7.529 1.594 1.00 0.00 O ATOM 474 CB ALA A 31 -3.217 -9.624 3.203 1.00 0.00 C ATOM 0 H ALA A 31 -4.474 -10.913 1.533 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.220 -9.745 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.887 -9.018 4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.010 -10.675 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.682 -9.317 2.305 1.00 0.00 H new ATOM 480 N SER A 32 -5.320 -7.253 3.833 1.00 0.00 N ATOM 481 CA SER A 32 -5.682 -5.848 3.745 1.00 0.00 C ATOM 482 C SER A 32 -4.420 -4.985 3.693 1.00 0.00 C ATOM 483 O SER A 32 -3.382 -5.364 4.234 1.00 0.00 O ATOM 484 CB SER A 32 -6.563 -5.431 4.925 1.00 0.00 C ATOM 485 OG SER A 32 -7.227 -6.545 5.514 1.00 0.00 O ATOM 0 H SER A 32 -5.263 -7.620 4.783 1.00 0.00 H new ATOM 0 HA SER A 32 -6.254 -5.699 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.950 -4.935 5.677 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.303 -4.705 4.587 1.00 0.00 H new ATOM 0 HG SER A 32 -7.778 -6.238 6.264 1.00 0.00 H new ATOM 491 N LEU A 33 -4.551 -3.841 3.038 1.00 0.00 N ATOM 492 CA LEU A 33 -3.433 -2.921 2.908 1.00 0.00 C ATOM 493 C LEU A 33 -2.772 -2.733 4.275 1.00 0.00 C ATOM 494 O LEU A 33 -1.559 -2.546 4.362 1.00 0.00 O ATOM 495 CB LEU A 33 -3.889 -1.612 2.261 1.00 0.00 C ATOM 496 CG LEU A 33 -4.409 -1.719 0.826 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.263 -0.503 0.460 1.00 0.00 C ATOM 498 CD2 LEU A 33 -3.257 -1.928 -0.160 1.00 0.00 C ATOM 0 H LEU A 33 -5.414 -3.530 2.592 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.676 -3.333 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.675 -1.178 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.052 -0.913 2.272 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.053 -2.596 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.620 -0.604 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.115 -0.440 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.663 0.403 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.654 -2.001 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.569 -1.085 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.727 -2.847 0.089 1.00 0.00 H new ATOM 510 N GLN A 34 -3.598 -2.789 5.310 1.00 0.00 N ATOM 511 CA GLN A 34 -3.109 -2.628 6.668 1.00 0.00 C ATOM 512 C GLN A 34 -1.987 -3.629 6.951 1.00 0.00 C ATOM 513 O GLN A 34 -1.038 -3.318 7.669 1.00 0.00 O ATOM 514 CB GLN A 34 -4.245 -2.777 7.682 1.00 0.00 C ATOM 515 CG GLN A 34 -3.703 -3.163 9.060 1.00 0.00 C ATOM 516 CD GLN A 34 -4.703 -2.806 10.161 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.013 -1.651 10.403 1.00 0.00 O ATOM 518 NE2 GLN A 34 -5.188 -3.858 10.814 1.00 0.00 N ATOM 0 H GLN A 34 -4.603 -2.944 5.235 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.705 -1.621 6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.798 -1.840 7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.947 -3.536 7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.494 -4.232 9.086 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.759 -2.649 9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.886 -4.799 10.561 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.862 -3.724 11.568 1.00 0.00 H new ATOM 527 N GLU A 35 -2.132 -4.811 6.370 1.00 0.00 N ATOM 528 CA GLU A 35 -1.143 -5.860 6.551 1.00 0.00 C ATOM 529 C GLU A 35 -0.067 -5.767 5.467 1.00 0.00 C ATOM 530 O GLU A 35 1.044 -6.264 5.646 1.00 0.00 O ATOM 531 CB GLU A 35 -1.802 -7.241 6.552 1.00 0.00 C ATOM 532 CG GLU A 35 -2.274 -7.622 7.956 1.00 0.00 C ATOM 533 CD GLU A 35 -3.794 -7.489 8.078 1.00 0.00 C ATOM 534 OE1 GLU A 35 -4.283 -6.357 7.875 1.00 0.00 O ATOM 535 OE2 GLU A 35 -4.432 -8.523 8.372 1.00 0.00 O ATOM 0 H GLU A 35 -2.919 -5.065 5.774 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.667 -5.720 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.649 -7.244 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.094 -7.986 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.976 -8.647 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.789 -6.982 8.693 1.00 0.00 H new ATOM 542 N LEU A 36 -0.434 -5.127 4.367 1.00 0.00 N ATOM 543 CA LEU A 36 0.486 -4.962 3.254 1.00 0.00 C ATOM 544 C LEU A 36 1.168 -3.597 3.360 1.00 0.00 C ATOM 545 O LEU A 36 1.844 -3.163 2.428 1.00 0.00 O ATOM 546 CB LEU A 36 -0.236 -5.188 1.924 1.00 0.00 C ATOM 547 CG LEU A 36 -0.871 -6.566 1.731 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.829 -6.566 0.538 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.201 -7.650 1.604 1.00 0.00 C ATOM 0 H LEU A 36 -1.356 -4.716 4.222 1.00 0.00 H new ATOM 0 HA LEU A 36 1.273 -5.715 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.016 -4.433 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.475 -5.021 1.115 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.461 -6.798 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.267 -7.558 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.621 -5.837 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.282 -6.303 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.277 -8.620 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.836 -7.435 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.808 -7.669 2.509 1.00 0.00 H new ATOM 561 N ALA A 37 0.967 -2.957 4.503 1.00 0.00 N ATOM 562 CA ALA A 37 1.554 -1.650 4.742 1.00 0.00 C ATOM 563 C ALA A 37 3.064 -1.802 4.938 1.00 0.00 C ATOM 564 O ALA A 37 3.849 -1.096 4.307 1.00 0.00 O ATOM 565 CB ALA A 37 0.872 -0.997 5.946 1.00 0.00 C ATOM 0 H ALA A 37 0.406 -3.320 5.274 1.00 0.00 H new ATOM 0 HA ALA A 37 1.397 -0.996 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.312 -0.016 6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.193 -0.885 5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.011 -1.624 6.827 1.00 0.00 H new ATOM 571 N PRO A 38 3.434 -2.752 5.838 1.00 0.00 N ATOM 572 CA PRO A 38 4.835 -3.005 6.125 1.00 0.00 C ATOM 573 C PRO A 38 5.497 -3.780 4.983 1.00 0.00 C ATOM 574 O PRO A 38 6.608 -3.453 4.569 1.00 0.00 O ATOM 575 CB PRO A 38 4.836 -3.769 7.439 1.00 0.00 C ATOM 576 CG PRO A 38 3.428 -4.318 7.603 1.00 0.00 C ATOM 577 CD PRO A 38 2.531 -3.606 6.604 1.00 0.00 C ATOM 0 HA PRO A 38 5.419 -2.089 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.570 -4.575 7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.100 -3.116 8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.415 -5.394 7.429 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.071 -4.156 8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.015 -4.317 5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.764 -3.019 7.109 1.00 0.00 H new ATOM 585 N ILE A 39 4.786 -4.791 4.507 1.00 0.00 N ATOM 586 CA ILE A 39 5.291 -5.615 3.421 1.00 0.00 C ATOM 587 C ILE A 39 5.650 -4.721 2.233 1.00 0.00 C ATOM 588 O ILE A 39 6.585 -5.016 1.490 1.00 0.00 O ATOM 589 CB ILE A 39 4.290 -6.721 3.078 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.274 -7.801 4.162 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.572 -7.303 1.692 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.854 -8.038 4.679 1.00 0.00 C ATOM 0 H ILE A 39 3.865 -5.059 4.853 1.00 0.00 H new ATOM 0 HA ILE A 39 6.205 -6.126 3.724 1.00 0.00 H new ATOM 0 HB ILE A 39 3.292 -6.283 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.678 -8.730 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.920 -7.502 4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.847 -8.087 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.492 -6.515 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.578 -7.723 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.871 -8.810 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.462 -7.113 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.216 -8.360 3.856 1.00 0.00 H new ATOM 604 N ILE A 40 4.889 -3.645 2.091 1.00 0.00 N ATOM 605 CA ILE A 40 5.116 -2.706 1.006 1.00 0.00 C ATOM 606 C ILE A 40 6.201 -1.710 1.418 1.00 0.00 C ATOM 607 O ILE A 40 7.280 -1.682 0.827 1.00 0.00 O ATOM 608 CB ILE A 40 3.801 -2.045 0.586 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.923 -3.021 -0.201 1.00 0.00 C ATOM 610 CG2 ILE A 40 4.061 -0.754 -0.192 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.502 -2.477 -0.356 1.00 0.00 C ATOM 0 H ILE A 40 4.115 -3.403 2.710 1.00 0.00 H new ATOM 0 HA ILE A 40 5.481 -3.227 0.121 1.00 0.00 H new ATOM 0 HB ILE A 40 3.252 -1.773 1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.359 -3.196 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.894 -3.983 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.110 -0.304 -0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.618 -0.057 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.640 -0.979 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.899 -3.190 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.061 -2.326 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.532 -1.527 -0.889 1.00 0.00 H new ATOM 623 N CYS A 41 5.877 -0.916 2.428 1.00 0.00 N ATOM 624 CA CYS A 41 6.811 0.080 2.926 1.00 0.00 C ATOM 625 C CYS A 41 8.189 -0.574 3.052 1.00 0.00 C ATOM 626 O CYS A 41 9.193 0.002 2.637 1.00 0.00 O ATOM 627 CB CYS A 41 6.342 0.683 4.251 1.00 0.00 C ATOM 628 SG CYS A 41 5.455 2.254 3.945 1.00 0.00 S ATOM 0 H CYS A 41 4.981 -0.942 2.915 1.00 0.00 H new ATOM 0 HA CYS A 41 6.868 0.912 2.224 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.688 -0.019 4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.198 0.860 4.903 1.00 0.00 H new ATOM 0 HG CYS A 41 5.059 2.756 5.077 1.00 0.00 H new ATOM 634 N SER A 42 8.191 -1.768 3.627 1.00 0.00 N ATOM 635 CA SER A 42 9.429 -2.506 3.813 1.00 0.00 C ATOM 636 C SER A 42 10.101 -2.750 2.460 1.00 0.00 C ATOM 637 O SER A 42 11.322 -2.664 2.345 1.00 0.00 O ATOM 638 CB SER A 42 9.175 -3.835 4.527 1.00 0.00 C ATOM 639 OG SER A 42 8.644 -3.645 5.836 1.00 0.00 O ATOM 0 H SER A 42 7.356 -2.242 3.970 1.00 0.00 H new ATOM 0 HA SER A 42 10.093 -1.909 4.439 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.482 -4.436 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.107 -4.396 4.592 1.00 0.00 H new ATOM 0 HG SER A 42 7.781 -3.185 5.775 1.00 0.00 H new ATOM 645 N LYS A 43 9.273 -3.050 1.470 1.00 0.00 N ATOM 646 CA LYS A 43 9.772 -3.307 0.129 1.00 0.00 C ATOM 647 C LYS A 43 10.419 -2.035 -0.422 1.00 0.00 C ATOM 648 O LYS A 43 11.275 -2.101 -1.303 1.00 0.00 O ATOM 649 CB LYS A 43 8.659 -3.866 -0.759 1.00 0.00 C ATOM 650 CG LYS A 43 8.389 -5.338 -0.440 1.00 0.00 C ATOM 651 CD LYS A 43 9.152 -6.255 -1.397 1.00 0.00 C ATOM 652 CE LYS A 43 8.396 -7.567 -1.619 1.00 0.00 C ATOM 653 NZ LYS A 43 9.020 -8.346 -2.711 1.00 0.00 N ATOM 0 H LYS A 43 8.260 -3.121 1.569 1.00 0.00 H new ATOM 0 HA LYS A 43 10.546 -4.075 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.748 -3.286 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.939 -3.763 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.685 -5.551 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.320 -5.539 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.298 -5.749 -2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.142 -6.466 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.396 -8.153 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.355 -7.357 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.495 -9.233 -2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.998 -7.791 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.007 -8.563 -2.463 1.00 0.00 H new ATOM 667 N CYS A 44 9.984 -0.906 0.118 1.00 0.00 N ATOM 668 CA CYS A 44 10.510 0.379 -0.309 1.00 0.00 C ATOM 669 C CYS A 44 11.211 1.032 0.884 1.00 0.00 C ATOM 670 O CYS A 44 11.406 2.247 0.906 1.00 0.00 O ATOM 671 CB CYS A 44 9.413 1.276 -0.887 1.00 0.00 C ATOM 672 SG CYS A 44 9.526 1.304 -2.713 1.00 0.00 S ATOM 0 H CYS A 44 9.273 -0.855 0.848 1.00 0.00 H new ATOM 0 HA CYS A 44 11.229 0.230 -1.115 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.433 0.910 -0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.513 2.287 -0.493 1.00 0.00 H new ATOM 0 HG CYS A 44 9.379 2.524 -3.138 1.00 0.00 H new ATOM 678 N GLU A 45 11.570 0.197 1.848 1.00 0.00 N ATOM 679 CA GLU A 45 12.244 0.678 3.042 1.00 0.00 C ATOM 680 C GLU A 45 11.653 2.019 3.482 1.00 0.00 C ATOM 681 O GLU A 45 12.386 2.925 3.878 1.00 0.00 O ATOM 682 CB GLU A 45 13.752 0.793 2.811 1.00 0.00 C ATOM 683 CG GLU A 45 14.403 -0.590 2.739 1.00 0.00 C ATOM 684 CD GLU A 45 15.848 -0.491 2.246 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.017 -0.278 1.026 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.750 -0.631 3.099 1.00 0.00 O ATOM 0 H GLU A 45 11.407 -0.810 1.827 1.00 0.00 H new ATOM 0 HA GLU A 45 12.086 -0.046 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.941 1.337 1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.204 1.370 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.382 -1.057 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.830 -1.231 2.070 1.00 0.00 H new ATOM 693 N PHE A 46 10.334 2.105 3.397 1.00 0.00 N ATOM 694 CA PHE A 46 9.636 3.320 3.781 1.00 0.00 C ATOM 695 C PHE A 46 9.210 3.266 5.250 1.00 0.00 C ATOM 696 O PHE A 46 9.225 2.202 5.866 1.00 0.00 O ATOM 697 CB PHE A 46 8.387 3.415 2.903 1.00 0.00 C ATOM 698 CG PHE A 46 8.531 4.374 1.719 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.762 4.643 1.208 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.427 4.957 1.178 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.895 5.533 0.109 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.561 5.846 0.080 1.00 0.00 C ATOM 703 CZ PHE A 46 8.792 6.115 -0.432 1.00 0.00 C ATOM 0 H PHE A 46 9.730 1.352 3.068 1.00 0.00 H new ATOM 0 HA PHE A 46 10.290 4.182 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.144 2.422 2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.546 3.737 3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.638 4.180 1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.449 4.743 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.873 5.747 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.685 6.309 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.893 6.791 -1.268 1.00 0.00 H new ATOM 713 N ASP A 47 8.839 4.428 5.768 1.00 0.00 N ATOM 714 CA ASP A 47 8.409 4.527 7.152 1.00 0.00 C ATOM 715 C ASP A 47 6.880 4.492 7.211 1.00 0.00 C ATOM 716 O ASP A 47 6.218 5.438 6.787 1.00 0.00 O ATOM 717 CB ASP A 47 8.877 5.840 7.782 1.00 0.00 C ATOM 718 CG ASP A 47 10.259 5.787 8.436 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.786 4.661 8.559 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.757 6.875 8.799 1.00 0.00 O ATOM 0 H ASP A 47 8.827 5.309 5.254 1.00 0.00 H new ATOM 0 HA ASP A 47 8.842 3.690 7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.885 6.612 7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.148 6.146 8.532 1.00 0.00 H new ATOM 725 N PRO A 48 6.351 3.363 7.753 1.00 0.00 N ATOM 726 CA PRO A 48 4.913 3.193 7.873 1.00 0.00 C ATOM 727 C PRO A 48 4.353 4.045 9.014 1.00 0.00 C ATOM 728 O PRO A 48 3.146 4.055 9.252 1.00 0.00 O ATOM 729 CB PRO A 48 4.710 1.703 8.090 1.00 0.00 C ATOM 730 CG PRO A 48 6.054 1.161 8.547 1.00 0.00 C ATOM 731 CD PRO A 48 7.105 2.223 8.266 1.00 0.00 C ATOM 0 HA PRO A 48 4.374 3.530 6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.940 1.519 8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.384 1.215 7.171 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.028 0.922 9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.293 0.238 8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.654 2.486 9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.837 1.873 7.539 1.00 0.00 H new ATOM 739 N LEU A 49 5.257 4.741 9.689 1.00 0.00 N ATOM 740 CA LEU A 49 4.868 5.594 10.798 1.00 0.00 C ATOM 741 C LEU A 49 4.173 6.844 10.256 1.00 0.00 C ATOM 742 O LEU A 49 3.505 7.561 11.001 1.00 0.00 O ATOM 743 CB LEU A 49 6.075 5.899 11.688 1.00 0.00 C ATOM 744 CG LEU A 49 6.291 4.954 12.872 1.00 0.00 C ATOM 745 CD1 LEU A 49 7.760 4.940 13.301 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.359 5.307 14.032 1.00 0.00 C ATOM 0 H LEU A 49 6.257 4.731 9.489 1.00 0.00 H new ATOM 0 HA LEU A 49 4.150 5.082 11.438 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.972 5.884 11.068 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.971 6.914 12.073 1.00 0.00 H new ATOM 0 HG LEU A 49 6.039 3.943 12.553 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.886 4.261 14.144 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.379 4.605 12.469 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.062 5.945 13.596 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.533 4.620 14.860 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.556 6.328 14.359 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.323 5.225 13.704 1.00 0.00 H new ATOM 758 N HIS A 50 4.352 7.068 8.962 1.00 0.00 N ATOM 759 CA HIS A 50 3.751 8.219 8.311 1.00 0.00 C ATOM 760 C HIS A 50 3.584 7.935 6.817 1.00 0.00 C ATOM 761 O HIS A 50 4.034 8.714 5.979 1.00 0.00 O ATOM 762 CB HIS A 50 4.564 9.486 8.586 1.00 0.00 C ATOM 763 CG HIS A 50 5.794 9.626 7.722 1.00 0.00 C ATOM 764 ND1 HIS A 50 6.778 8.731 7.420 1.00 0.00 N flip ATOM 765 CD2 HIS A 50 6.114 10.798 7.058 1.00 0.00 C flip ATOM 766 CE1 HIS A 50 7.651 9.323 6.614 1.00 0.00 C flip ATOM 767 NE2 HIS A 50 7.241 10.605 6.389 1.00 0.00 N flip ATOM 0 H HIS A 50 4.905 6.471 8.347 1.00 0.00 H new ATOM 0 HA HIS A 50 2.759 8.397 8.725 1.00 0.00 H new ATOM 0 HB2 HIS A 50 3.925 10.356 8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.866 9.492 9.633 1.00 0.00 H new ATOM 0 HD1 HIS A 50 6.834 7.770 7.756 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.542 11.714 7.081 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.539 8.865 6.204 1.00 0.00 H new ATOM 775 N THR A 51 2.934 6.816 6.530 1.00 0.00 N ATOM 776 CA THR A 51 2.702 6.419 5.151 1.00 0.00 C ATOM 777 C THR A 51 1.202 6.307 4.874 1.00 0.00 C ATOM 778 O THR A 51 0.457 5.757 5.684 1.00 0.00 O ATOM 779 CB THR A 51 3.466 5.118 4.899 1.00 0.00 C ATOM 780 OG1 THR A 51 4.827 5.527 4.802 1.00 0.00 O ATOM 781 CG2 THR A 51 3.159 4.515 3.527 1.00 0.00 C ATOM 0 H THR A 51 2.561 6.172 7.228 1.00 0.00 H new ATOM 0 HA THR A 51 3.074 7.171 4.455 1.00 0.00 H new ATOM 0 HB THR A 51 3.218 4.396 5.677 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.177 5.715 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.727 3.593 3.399 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.093 4.297 3.455 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.438 5.224 2.747 1.00 0.00 H new ATOM 789 N LEU A 52 0.803 6.837 3.727 1.00 0.00 N ATOM 790 CA LEU A 52 -0.595 6.802 3.333 1.00 0.00 C ATOM 791 C LEU A 52 -0.744 5.953 2.070 1.00 0.00 C ATOM 792 O LEU A 52 0.247 5.618 1.422 1.00 0.00 O ATOM 793 CB LEU A 52 -1.146 8.223 3.188 1.00 0.00 C ATOM 794 CG LEU A 52 -1.907 8.774 4.395 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.519 10.140 4.080 1.00 0.00 C ATOM 796 CD2 LEU A 52 -2.958 7.774 4.884 1.00 0.00 C ATOM 0 H LEU A 52 1.423 7.293 3.058 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.197 6.328 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.314 8.893 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.809 8.248 2.323 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.197 8.919 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.054 10.509 4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.727 10.841 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.212 10.044 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.485 8.190 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.670 7.574 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.468 6.844 5.174 1.00 0.00 H new ATOM 808 N LEU A 53 -1.990 5.628 1.757 1.00 0.00 N ATOM 809 CA LEU A 53 -2.281 4.824 0.582 1.00 0.00 C ATOM 810 C LEU A 53 -3.368 5.513 -0.245 1.00 0.00 C ATOM 811 O LEU A 53 -4.533 5.538 0.151 1.00 0.00 O ATOM 812 CB LEU A 53 -2.632 3.391 0.987 1.00 0.00 C ATOM 813 CG LEU A 53 -1.561 2.637 1.779 1.00 0.00 C ATOM 814 CD1 LEU A 53 -2.090 1.286 2.266 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.277 2.489 0.961 1.00 0.00 C ATOM 0 H LEU A 53 -2.809 5.907 2.297 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.399 4.744 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.545 3.416 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.855 2.823 0.084 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.313 3.224 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.310 0.770 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.955 1.445 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.383 0.680 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.467 1.950 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.490 1.935 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.108 3.476 0.706 1.00 0.00 H new ATOM 827 N LEU A 54 -2.950 6.054 -1.380 1.00 0.00 N ATOM 828 CA LEU A 54 -3.873 6.741 -2.267 1.00 0.00 C ATOM 829 C LEU A 54 -4.243 5.816 -3.428 1.00 0.00 C ATOM 830 O LEU A 54 -3.648 4.752 -3.591 1.00 0.00 O ATOM 831 CB LEU A 54 -3.290 8.084 -2.712 1.00 0.00 C ATOM 832 CG LEU A 54 -2.769 8.992 -1.596 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.900 9.404 -0.651 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.610 8.331 -0.848 1.00 0.00 C ATOM 0 H LEU A 54 -1.984 6.030 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.798 6.980 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.473 7.890 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.058 8.625 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.381 9.904 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.503 10.049 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.664 9.943 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.340 8.514 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.258 8.997 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.949 7.394 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.795 8.130 -1.544 1.00 0.00 H new ATOM 846 N LYS A 55 -5.222 6.255 -4.204 1.00 0.00 N ATOM 847 CA LYS A 55 -5.677 5.480 -5.346 1.00 0.00 C ATOM 848 C LYS A 55 -4.487 5.175 -6.257 1.00 0.00 C ATOM 849 O LYS A 55 -4.212 4.014 -6.558 1.00 0.00 O ATOM 850 CB LYS A 55 -6.828 6.196 -6.056 1.00 0.00 C ATOM 851 CG LYS A 55 -7.946 6.547 -5.072 1.00 0.00 C ATOM 852 CD LYS A 55 -9.106 5.556 -5.184 1.00 0.00 C ATOM 853 CE LYS A 55 -10.016 5.908 -6.362 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.386 5.399 -6.128 1.00 0.00 N ATOM 0 H LYS A 55 -5.713 7.138 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.082 4.522 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.458 7.105 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.223 5.560 -6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.555 6.541 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.305 7.557 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.715 4.546 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.684 5.561 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.042 6.989 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.614 5.480 -7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.991 5.646 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.358 4.365 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.772 5.828 -5.263 1.00 0.00 H new ATOM 868 N ASP A 56 -3.812 6.237 -6.671 1.00 0.00 N ATOM 869 CA ASP A 56 -2.658 6.098 -7.543 1.00 0.00 C ATOM 870 C ASP A 56 -1.781 7.346 -7.425 1.00 0.00 C ATOM 871 O ASP A 56 -2.088 8.254 -6.653 1.00 0.00 O ATOM 872 CB ASP A 56 -3.085 5.956 -9.005 1.00 0.00 C ATOM 873 CG ASP A 56 -2.460 4.775 -9.750 1.00 0.00 C ATOM 874 OD1 ASP A 56 -2.903 3.637 -9.483 1.00 0.00 O ATOM 875 OD2 ASP A 56 -1.553 5.037 -10.570 1.00 0.00 O ATOM 0 H ASP A 56 -4.042 7.198 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.112 5.205 -7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.170 5.857 -9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.830 6.875 -9.533 1.00 0.00 H new ATOM 880 N TYR A 57 -0.708 7.353 -8.202 1.00 0.00 N ATOM 881 CA TYR A 57 0.215 8.475 -8.194 1.00 0.00 C ATOM 882 C TYR A 57 -0.487 9.765 -8.625 1.00 0.00 C ATOM 883 O TYR A 57 -0.043 10.860 -8.286 1.00 0.00 O ATOM 884 CB TYR A 57 1.302 8.134 -9.216 1.00 0.00 C ATOM 885 CG TYR A 57 1.999 9.357 -9.813 1.00 0.00 C ATOM 886 CD1 TYR A 57 3.017 9.979 -9.119 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.611 9.839 -11.047 1.00 0.00 C ATOM 888 CE1 TYR A 57 3.674 11.131 -9.681 1.00 0.00 C ATOM 889 CE2 TYR A 57 2.268 10.990 -11.610 1.00 0.00 C ATOM 890 CZ TYR A 57 3.267 11.579 -10.899 1.00 0.00 C ATOM 891 OH TYR A 57 3.887 12.667 -11.430 1.00 0.00 O ATOM 0 H TYR A 57 -0.457 6.599 -8.842 1.00 0.00 H new ATOM 0 HA TYR A 57 0.617 8.635 -7.193 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.049 7.500 -8.739 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.858 7.552 -10.023 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.321 9.602 -8.154 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.814 9.353 -11.590 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.471 11.627 -9.148 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.974 11.377 -12.575 1.00 0.00 H new ATOM 0 HH TYR A 57 3.494 12.873 -12.304 1.00 0.00 H new ATOM 901 N GLN A 58 -1.572 9.591 -9.366 1.00 0.00 N ATOM 902 CA GLN A 58 -2.339 10.728 -9.847 1.00 0.00 C ATOM 903 C GLN A 58 -3.717 10.757 -9.183 1.00 0.00 C ATOM 904 O GLN A 58 -4.738 10.820 -9.866 1.00 0.00 O ATOM 905 CB GLN A 58 -2.465 10.699 -11.371 1.00 0.00 C ATOM 906 CG GLN A 58 -1.378 11.552 -12.028 1.00 0.00 C ATOM 907 CD GLN A 58 -1.936 12.909 -12.465 1.00 0.00 C ATOM 908 OE1 GLN A 58 -2.068 13.835 -11.683 1.00 0.00 O ATOM 909 NE2 GLN A 58 -2.253 12.973 -13.755 1.00 0.00 N ATOM 0 H GLN A 58 -1.938 8.681 -9.645 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.808 11.641 -9.577 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.390 9.671 -11.726 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.448 11.067 -11.665 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.555 11.701 -11.329 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.971 11.027 -12.892 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.117 12.159 -14.355 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.632 13.836 -14.145 1.00 0.00 H new ATOM 918 N SER A 59 -3.702 10.709 -7.859 1.00 0.00 N ATOM 919 CA SER A 59 -4.938 10.729 -7.095 1.00 0.00 C ATOM 920 C SER A 59 -4.697 11.369 -5.726 1.00 0.00 C ATOM 921 O SER A 59 -3.552 11.542 -5.311 1.00 0.00 O ATOM 922 CB SER A 59 -5.506 9.318 -6.930 1.00 0.00 C ATOM 923 OG SER A 59 -6.848 9.225 -7.398 1.00 0.00 O ATOM 0 H SER A 59 -2.853 10.656 -7.296 1.00 0.00 H new ATOM 0 HA SER A 59 -5.669 11.324 -7.642 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.882 8.610 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.468 9.033 -5.879 1.00 0.00 H new ATOM 0 HG SER A 59 -6.897 8.565 -8.120 1.00 0.00 H new ATOM 929 N GLN A 60 -5.794 11.702 -5.063 1.00 0.00 N ATOM 930 CA GLN A 60 -5.716 12.318 -3.749 1.00 0.00 C ATOM 931 C GLN A 60 -6.712 11.658 -2.793 1.00 0.00 C ATOM 932 O GLN A 60 -6.980 12.180 -1.712 1.00 0.00 O ATOM 933 CB GLN A 60 -5.958 13.827 -3.836 1.00 0.00 C ATOM 934 CG GLN A 60 -4.794 14.529 -4.539 1.00 0.00 C ATOM 935 CD GLN A 60 -3.788 15.073 -3.523 1.00 0.00 C ATOM 936 OE1 GLN A 60 -3.197 14.344 -2.743 1.00 0.00 O ATOM 937 NE2 GLN A 60 -3.628 16.393 -3.574 1.00 0.00 N ATOM 0 H GLN A 60 -6.742 11.557 -5.411 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.710 12.166 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.884 14.020 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.083 14.237 -2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.296 13.830 -5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.174 15.346 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.154 16.945 -4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.979 16.853 -2.935 1.00 0.00 H new ATOM 946 N GLU A 61 -7.232 10.519 -3.226 1.00 0.00 N ATOM 947 CA GLU A 61 -8.192 9.781 -2.422 1.00 0.00 C ATOM 948 C GLU A 61 -7.491 8.653 -1.662 1.00 0.00 C ATOM 949 O GLU A 61 -6.963 7.724 -2.270 1.00 0.00 O ATOM 950 CB GLU A 61 -9.328 9.235 -3.289 1.00 0.00 C ATOM 951 CG GLU A 61 -10.573 10.119 -3.181 1.00 0.00 C ATOM 952 CD GLU A 61 -11.295 10.215 -4.527 1.00 0.00 C ATOM 953 OE1 GLU A 61 -10.687 10.787 -5.458 1.00 0.00 O ATOM 954 OE2 GLU A 61 -12.438 9.714 -4.594 1.00 0.00 O ATOM 0 H GLU A 61 -7.007 10.089 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.631 10.465 -1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.004 9.182 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.571 8.219 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.249 9.711 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.288 11.116 -2.845 1.00 0.00 H new ATOM 961 N PRO A 62 -7.510 8.775 -0.307 1.00 0.00 N ATOM 962 CA PRO A 62 -6.884 7.777 0.543 1.00 0.00 C ATOM 963 C PRO A 62 -7.731 6.504 0.610 1.00 0.00 C ATOM 964 O PRO A 62 -8.927 6.565 0.891 1.00 0.00 O ATOM 965 CB PRO A 62 -6.722 8.455 1.893 1.00 0.00 C ATOM 966 CG PRO A 62 -7.679 9.637 1.883 1.00 0.00 C ATOM 967 CD PRO A 62 -8.126 9.862 0.448 1.00 0.00 C ATOM 0 HA PRO A 62 -5.918 7.445 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.958 7.768 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.694 8.786 2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.538 9.438 2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.189 10.528 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.212 9.837 0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.800 10.835 0.080 1.00 0.00 H new ATOM 975 N LEU A 63 -7.078 5.382 0.348 1.00 0.00 N ATOM 976 CA LEU A 63 -7.756 4.097 0.376 1.00 0.00 C ATOM 977 C LEU A 63 -7.925 3.646 1.828 1.00 0.00 C ATOM 978 O LEU A 63 -7.214 4.116 2.715 1.00 0.00 O ATOM 979 CB LEU A 63 -7.020 3.083 -0.502 1.00 0.00 C ATOM 980 CG LEU A 63 -6.616 3.570 -1.895 1.00 0.00 C ATOM 981 CD1 LEU A 63 -5.517 2.686 -2.488 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.833 3.667 -2.816 1.00 0.00 C ATOM 0 H LEU A 63 -6.086 5.336 0.115 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.756 4.185 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.121 2.762 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.654 2.203 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.204 4.575 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.249 3.054 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.640 2.712 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.878 1.661 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.518 4.015 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.297 2.685 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.552 4.370 -2.395 1.00 0.00 H new ATOM 994 N ASP A 64 -8.870 2.739 2.026 1.00 0.00 N ATOM 995 CA ASP A 64 -9.142 2.219 3.355 1.00 0.00 C ATOM 996 C ASP A 64 -8.301 0.962 3.588 1.00 0.00 C ATOM 997 O ASP A 64 -8.405 -0.007 2.837 1.00 0.00 O ATOM 998 CB ASP A 64 -10.615 1.836 3.507 1.00 0.00 C ATOM 999 CG ASP A 64 -11.439 2.774 4.392 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -10.851 3.771 4.864 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.638 2.472 4.576 1.00 0.00 O ATOM 0 H ASP A 64 -9.457 2.351 1.288 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.896 2.997 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.070 1.802 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.672 0.829 3.919 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.485 1.019 4.631 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.627 -0.103 4.972 1.00 0.00 C ATOM 1008 C LEU A 65 -7.492 -1.321 5.298 1.00 0.00 C ATOM 1009 O LEU A 65 -7.269 -2.407 4.764 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.661 0.283 6.093 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.851 1.563 5.871 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.346 2.130 7.199 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.711 1.324 4.878 1.00 0.00 C ATOM 0 H LEU A 65 -7.400 1.825 5.251 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.001 -0.375 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.232 0.393 7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.965 -0.542 6.246 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.509 2.313 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.774 3.039 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.195 2.361 7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.709 1.394 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.151 2.249 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.046 0.552 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.123 1.001 3.922 1.00 0.00 H new ATOM 1025 N THR A 66 -8.462 -1.101 6.173 1.00 0.00 N ATOM 1026 CA THR A 66 -9.362 -2.168 6.577 1.00 0.00 C ATOM 1027 C THR A 66 -9.813 -2.975 5.358 1.00 0.00 C ATOM 1028 O THR A 66 -10.023 -4.184 5.452 1.00 0.00 O ATOM 1029 CB THR A 66 -10.522 -1.540 7.352 1.00 0.00 C ATOM 1030 OG1 THR A 66 -10.982 -0.493 6.501 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.057 -0.814 8.616 1.00 0.00 C ATOM 0 H THR A 66 -8.645 -0.199 6.614 1.00 0.00 H new ATOM 0 HA THR A 66 -8.861 -2.880 7.233 1.00 0.00 H new ATOM 0 HB THR A 66 -11.240 -2.315 7.621 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.736 -0.033 6.926 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.919 -0.387 9.128 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.555 -1.520 9.277 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.365 -0.017 8.344 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.949 -2.275 4.241 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.370 -2.912 3.005 1.00 0.00 C ATOM 1041 C LYS A 67 -9.161 -3.568 2.336 1.00 0.00 C ATOM 1042 O LYS A 67 -8.031 -3.110 2.501 1.00 0.00 O ATOM 1043 CB LYS A 67 -11.101 -1.910 2.109 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.301 -1.299 2.834 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.617 -1.818 2.251 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.246 -2.869 3.167 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.260 -2.249 4.049 1.00 0.00 N ATOM 0 H LYS A 67 -9.775 -1.273 4.166 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.089 -3.705 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.414 -1.120 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.436 -2.408 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.250 -1.540 3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.266 -0.213 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.310 -0.988 2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.437 -2.249 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.708 -3.653 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.472 -3.344 3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.677 -2.977 4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.810 -1.517 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.007 -1.817 3.469 1.00 0.00 H new ATOM 1061 N SER A 68 -9.439 -4.630 1.594 1.00 0.00 N ATOM 1062 CA SER A 68 -8.388 -5.354 0.899 1.00 0.00 C ATOM 1063 C SER A 68 -8.367 -4.955 -0.578 1.00 0.00 C ATOM 1064 O SER A 68 -9.259 -4.250 -1.047 1.00 0.00 O ATOM 1065 CB SER A 68 -8.576 -6.866 1.039 1.00 0.00 C ATOM 1066 OG SER A 68 -9.939 -7.251 0.881 1.00 0.00 O ATOM 0 H SER A 68 -10.377 -5.007 1.459 1.00 0.00 H new ATOM 0 HA SER A 68 -7.433 -5.091 1.353 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.966 -7.378 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.220 -7.187 2.018 1.00 0.00 H new ATOM 0 HG SER A 68 -10.017 -8.223 0.976 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.339 -5.425 -1.270 1.00 0.00 N ATOM 1073 CA LEU A 69 -7.190 -5.126 -2.684 1.00 0.00 C ATOM 1074 C LEU A 69 -8.430 -5.613 -3.437 1.00 0.00 C ATOM 1075 O LEU A 69 -8.793 -5.053 -4.470 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.879 -5.706 -3.218 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.605 -4.953 -2.829 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.468 -3.656 -3.628 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.555 -4.704 -1.320 1.00 0.00 C ATOM 0 H LEU A 69 -6.602 -6.010 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.123 -4.049 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.791 -6.735 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.938 -5.743 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.749 -5.578 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.554 -3.141 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.425 -3.887 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.327 -3.014 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.640 -4.167 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.418 -4.109 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.572 -5.658 -0.793 1.00 0.00 H new ATOM 1091 N ASN A 70 -9.045 -6.652 -2.890 1.00 0.00 N ATOM 1092 CA ASN A 70 -10.237 -7.220 -3.497 1.00 0.00 C ATOM 1093 C ASN A 70 -11.416 -6.269 -3.284 1.00 0.00 C ATOM 1094 O ASN A 70 -12.071 -5.863 -4.243 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.592 -8.564 -2.858 1.00 0.00 C ATOM 1096 CG ASN A 70 -10.226 -9.726 -3.784 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.573 -9.754 -4.954 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.507 -10.679 -3.198 1.00 0.00 N ATOM 0 H ASN A 70 -8.740 -7.115 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.038 -7.366 -4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.065 -8.670 -1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.659 -8.594 -2.635 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.212 -11.496 -3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.251 -10.593 -2.215 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.650 -5.941 -2.022 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.739 -5.045 -1.672 1.00 0.00 C ATOM 1107 C ASP A 71 -12.610 -3.752 -2.478 1.00 0.00 C ATOM 1108 O ASP A 71 -13.607 -3.211 -2.956 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.697 -4.682 -0.186 1.00 0.00 C ATOM 1110 CG ASP A 71 -12.818 -5.867 0.774 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -13.073 -6.982 0.269 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -12.653 -5.632 1.990 1.00 0.00 O ATOM 0 H ASP A 71 -11.104 -6.279 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.678 -5.553 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.761 -4.162 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.504 -3.980 0.024 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.374 -3.293 -2.606 1.00 0.00 N ATOM 1118 CA LEU A 72 -11.101 -2.073 -3.347 1.00 0.00 C ATOM 1119 C LEU A 72 -11.167 -2.367 -4.847 1.00 0.00 C ATOM 1120 O LEU A 72 -12.056 -1.875 -5.541 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.773 -1.460 -2.899 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.734 -0.916 -1.469 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.293 -0.786 -0.971 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.498 0.405 -1.364 1.00 0.00 C ATOM 0 H LEU A 72 -10.550 -3.744 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.861 -1.321 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.994 -2.216 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.521 -0.649 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.236 -1.631 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.294 -0.397 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.813 -1.765 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.744 -0.103 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.455 0.770 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.046 1.140 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.538 0.247 -1.649 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.216 -3.169 -5.304 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.155 -3.534 -6.709 1.00 0.00 C ATOM 1138 C GLY A 73 -9.120 -2.686 -7.451 1.00 0.00 C ATOM 1139 O GLY A 73 -9.321 -2.331 -8.612 1.00 0.00 O ATOM 0 H GLY A 73 -9.481 -3.576 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.901 -4.590 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.135 -3.400 -7.166 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.036 -2.386 -6.752 1.00 0.00 N ATOM 1144 CA LEU A 74 -6.970 -1.586 -7.330 1.00 0.00 C ATOM 1145 C LEU A 74 -5.647 -2.345 -7.212 1.00 0.00 C ATOM 1146 O LEU A 74 -5.231 -2.706 -6.112 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.939 -0.194 -6.696 1.00 0.00 C ATOM 1148 CG LEU A 74 -8.255 0.586 -6.727 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -8.247 1.715 -5.695 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.554 1.100 -8.137 1.00 0.00 C ATOM 0 H LEU A 74 -7.873 -2.683 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.151 -1.422 -8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.625 -0.296 -5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.177 0.398 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.062 -0.094 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.194 2.254 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.113 1.296 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.429 2.401 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.495 1.651 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.749 1.759 -8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.632 0.256 -8.823 1.00 0.00 H new ATOM 1162 N ARG A 75 -5.022 -2.565 -8.359 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.755 -3.275 -8.397 1.00 0.00 C ATOM 1164 C ARG A 75 -2.591 -2.291 -8.265 1.00 0.00 C ATOM 1165 O ARG A 75 -1.436 -2.700 -8.156 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.603 -4.061 -9.701 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.509 -5.294 -9.707 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.896 -6.429 -8.884 1.00 0.00 C ATOM 1169 NE ARG A 75 -3.898 -7.682 -9.672 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.058 -7.934 -10.685 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -2.144 -7.022 -11.040 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -3.132 -9.100 -11.343 1.00 0.00 N ATOM 0 H ARG A 75 -5.370 -2.264 -9.269 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.742 -3.974 -7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.850 -3.420 -10.547 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.565 -4.368 -9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.487 -5.033 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.668 -5.628 -10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.877 -6.172 -8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.461 -6.568 -7.963 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.582 -8.399 -9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.087 -6.135 -10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.505 -7.214 -11.811 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.828 -9.795 -11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.493 -9.292 -12.114 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.935 -1.011 -8.279 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.933 0.035 -8.162 1.00 0.00 C ATOM 1188 C GLU A 76 -2.288 0.983 -7.015 1.00 0.00 C ATOM 1189 O GLU A 76 -3.462 1.162 -6.693 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.782 0.799 -9.478 1.00 0.00 C ATOM 1191 CG GLU A 76 -0.945 0.002 -10.481 1.00 0.00 C ATOM 1192 CD GLU A 76 -1.742 -0.285 -11.755 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -2.383 0.667 -12.250 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -1.692 -1.450 -12.205 1.00 0.00 O ATOM 0 H GLU A 76 -3.894 -0.675 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.973 -0.431 -7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.766 1.002 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.311 1.764 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.042 0.559 -10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.625 -0.937 -10.029 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.253 1.568 -6.431 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.440 2.494 -5.327 1.00 0.00 C ATOM 1203 C LEU A 77 -0.178 3.341 -5.158 1.00 0.00 C ATOM 1204 O LEU A 77 0.848 3.064 -5.777 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.850 1.741 -4.059 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.060 0.467 -3.751 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.173 0.656 -2.519 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.995 -0.736 -3.605 1.00 0.00 C ATOM 0 H LEU A 77 -0.281 1.419 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.259 3.181 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.754 2.419 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.905 1.480 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.400 0.262 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.377 -0.264 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.531 1.469 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.794 0.898 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.408 -1.628 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.697 -0.555 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.547 -0.883 -4.534 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.294 4.358 -4.316 1.00 0.00 N ATOM 1221 CA TYR A 78 0.825 5.248 -4.057 1.00 0.00 C ATOM 1222 C TYR A 78 1.034 5.443 -2.554 1.00 0.00 C ATOM 1223 O TYR A 78 0.072 5.472 -1.789 1.00 0.00 O ATOM 1224 CB TYR A 78 0.450 6.591 -4.687 1.00 0.00 C ATOM 1225 CG TYR A 78 1.413 7.729 -4.345 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.650 7.793 -4.953 1.00 0.00 C ATOM 1227 CD2 TYR A 78 1.044 8.692 -3.427 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.556 8.865 -4.631 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.951 9.763 -3.105 1.00 0.00 C ATOM 1230 CZ TYR A 78 3.162 9.797 -3.723 1.00 0.00 C ATOM 1231 OH TYR A 78 4.018 10.809 -3.418 1.00 0.00 O ATOM 0 H TYR A 78 -1.147 4.585 -3.804 1.00 0.00 H new ATOM 0 HA TYR A 78 1.746 4.836 -4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.412 6.474 -5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.553 6.867 -4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.939 7.039 -5.670 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.076 8.642 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.527 8.927 -5.100 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.676 10.523 -2.388 1.00 0.00 H new ATOM 0 HH TYR A 78 3.603 11.400 -2.756 1.00 0.00 H new ATOM 1241 N ALA A 79 2.297 5.573 -2.177 1.00 0.00 N ATOM 1242 CA ALA A 79 2.645 5.765 -0.779 1.00 0.00 C ATOM 1243 C ALA A 79 3.065 7.219 -0.558 1.00 0.00 C ATOM 1244 O ALA A 79 4.109 7.649 -1.046 1.00 0.00 O ATOM 1245 CB ALA A 79 3.743 4.775 -0.386 1.00 0.00 C ATOM 0 H ALA A 79 3.092 5.549 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 79 1.785 5.569 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.004 4.919 0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.385 3.756 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.624 4.944 -1.006 1.00 0.00 H new ATOM 1251 N MET A 80 2.230 7.937 0.178 1.00 0.00 N ATOM 1252 CA MET A 80 2.501 9.334 0.470 1.00 0.00 C ATOM 1253 C MET A 80 3.057 9.501 1.886 1.00 0.00 C ATOM 1254 O MET A 80 2.617 8.823 2.813 1.00 0.00 O ATOM 1255 CB MET A 80 1.211 10.146 0.329 1.00 0.00 C ATOM 1256 CG MET A 80 1.471 11.634 0.568 1.00 0.00 C ATOM 1257 SD MET A 80 0.005 12.413 1.224 1.00 0.00 S ATOM 1258 CE MET A 80 -1.224 11.739 0.119 1.00 0.00 C ATOM 0 H MET A 80 1.365 7.577 0.581 1.00 0.00 H new ATOM 0 HA MET A 80 3.247 9.695 -0.238 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.793 10.002 -0.667 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.469 9.784 1.041 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.301 11.759 1.263 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.762 12.115 -0.366 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.005 12.480 -0.052 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.756 11.479 -0.831 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.662 10.846 0.564 1.00 0.00 H new ATOM 1268 N ASP A 81 4.016 10.407 2.008 1.00 0.00 N ATOM 1269 CA ASP A 81 4.637 10.671 3.295 1.00 0.00 C ATOM 1270 C ASP A 81 4.033 11.941 3.896 1.00 0.00 C ATOM 1271 O ASP A 81 4.207 13.032 3.356 1.00 0.00 O ATOM 1272 CB ASP A 81 6.144 10.889 3.145 1.00 0.00 C ATOM 1273 CG ASP A 81 6.944 9.640 2.772 1.00 0.00 C ATOM 1274 OD1 ASP A 81 6.410 8.533 3.003 1.00 0.00 O ATOM 1275 OD2 ASP A 81 8.071 9.819 2.262 1.00 0.00 O ATOM 0 H ASP A 81 4.378 10.968 1.237 1.00 0.00 H new ATOM 0 HA ASP A 81 4.460 9.809 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.312 11.650 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.534 11.285 4.083 1.00 0.00 H new ATOM 1280 N VAL A 82 3.334 11.758 5.007 1.00 0.00 N ATOM 1281 CA VAL A 82 2.703 12.875 5.688 1.00 0.00 C ATOM 1282 C VAL A 82 3.608 13.350 6.827 1.00 0.00 C ATOM 1283 O VAL A 82 3.412 12.970 7.980 1.00 0.00 O ATOM 1284 CB VAL A 82 1.304 12.477 6.163 1.00 0.00 C ATOM 1285 CG1 VAL A 82 0.342 12.343 4.981 1.00 0.00 C ATOM 1286 CG2 VAL A 82 1.351 11.185 6.982 1.00 0.00 C ATOM 0 H VAL A 82 3.191 10.852 5.452 1.00 0.00 H new ATOM 0 HA VAL A 82 2.573 13.714 5.004 1.00 0.00 H new ATOM 0 HB VAL A 82 0.930 13.270 6.810 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.645 12.059 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.275 13.296 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.710 11.578 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.344 10.924 7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.754 10.380 6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.988 11.330 7.854 1.00 0.00 H new ATOM 1296 N ASN A 83 4.580 14.174 6.463 1.00 0.00 N ATOM 1297 CA ASN A 83 5.516 14.705 7.440 1.00 0.00 C ATOM 1298 C ASN A 83 4.739 15.257 8.636 1.00 0.00 C ATOM 1299 O ASN A 83 5.060 14.952 9.784 1.00 0.00 O ATOM 1300 CB ASN A 83 6.344 15.846 6.845 1.00 0.00 C ATOM 1301 CG ASN A 83 7.777 15.820 7.380 1.00 0.00 C ATOM 1302 OD1 ASN A 83 8.025 15.609 8.556 1.00 0.00 O ATOM 1303 ND2 ASN A 83 8.704 16.045 6.453 1.00 0.00 N ATOM 0 H ASN A 83 4.740 14.487 5.505 1.00 0.00 H new ATOM 0 HA ASN A 83 6.182 13.897 7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.356 15.763 5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.879 16.802 7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.691 16.048 6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.428 16.215 5.486 1.00 0.00 H new ATOM 1310 N ARG A 84 3.732 16.061 8.327 1.00 0.00 N ATOM 1311 CA ARG A 84 2.907 16.658 9.363 1.00 0.00 C ATOM 1312 C ARG A 84 1.445 16.707 8.915 1.00 0.00 C ATOM 1313 O ARG A 84 1.077 17.525 8.073 1.00 0.00 O ATOM 1314 CB ARG A 84 3.379 18.076 9.694 1.00 0.00 C ATOM 1315 CG ARG A 84 4.291 18.076 10.923 1.00 0.00 C ATOM 1316 CD ARG A 84 3.485 18.309 12.203 1.00 0.00 C ATOM 1317 NE ARG A 84 4.302 17.958 13.386 1.00 0.00 N ATOM 1318 CZ ARG A 84 5.219 18.767 13.933 1.00 0.00 C ATOM 1319 NH1 ARG A 84 5.441 19.980 13.408 1.00 0.00 N ATOM 1320 NH2 ARG A 84 5.913 18.365 15.006 1.00 0.00 N ATOM 0 H ARG A 84 3.469 16.313 7.374 1.00 0.00 H new ATOM 0 HA ARG A 84 2.997 16.039 10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.913 18.494 8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.517 18.717 9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.818 17.124 10.989 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.048 18.853 10.819 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.174 19.352 12.262 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.577 17.706 12.186 1.00 0.00 H new ATOM 0 HE ARG A 84 4.158 17.042 13.812 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.912 20.287 12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.139 20.596 13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.743 17.443 15.407 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.611 18.981 15.422 1.00 0.00 H new ATOM 1334 N GLU A 85 0.650 15.821 9.497 1.00 0.00 N ATOM 1335 CA GLU A 85 -0.763 15.753 9.168 1.00 0.00 C ATOM 1336 C GLU A 85 -1.609 15.857 10.439 1.00 0.00 C ATOM 1337 O GLU A 85 -1.276 15.262 11.462 1.00 0.00 O ATOM 1338 CB GLU A 85 -1.086 14.471 8.398 1.00 0.00 C ATOM 1339 CG GLU A 85 -1.534 14.788 6.970 1.00 0.00 C ATOM 1340 CD GLU A 85 -2.550 13.757 6.473 1.00 0.00 C ATOM 1341 OE1 GLU A 85 -2.151 12.578 6.355 1.00 0.00 O ATOM 1342 OE2 GLU A 85 -3.703 14.171 6.223 1.00 0.00 O ATOM 0 H GLU A 85 0.958 15.144 10.195 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.007 16.596 8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.207 13.826 8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.871 13.920 8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.975 15.784 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.668 14.800 6.308 1.00 0.00 H new ATOM 1349 N SER A 86 -2.689 16.618 10.332 1.00 0.00 N ATOM 1350 CA SER A 86 -3.585 16.808 11.460 1.00 0.00 C ATOM 1351 C SER A 86 -4.305 15.496 11.782 1.00 0.00 C ATOM 1352 O SER A 86 -5.275 15.137 11.118 1.00 0.00 O ATOM 1353 CB SER A 86 -4.602 17.915 11.174 1.00 0.00 C ATOM 1354 OG SER A 86 -3.971 19.136 10.801 1.00 0.00 O ATOM 0 H SER A 86 -2.963 17.110 9.482 1.00 0.00 H new ATOM 0 HA SER A 86 -2.991 17.111 12.322 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.272 17.595 10.376 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.217 18.080 12.059 1.00 0.00 H new ATOM 0 HG SER A 86 -4.654 19.817 10.625 1.00 0.00 H new ATOM 1360 N GLY A 87 -3.801 14.818 12.803 1.00 0.00 N ATOM 1361 CA GLY A 87 -4.383 13.554 13.222 1.00 0.00 C ATOM 1362 C GLY A 87 -3.890 13.159 14.615 1.00 0.00 C ATOM 1363 O GLY A 87 -2.846 13.628 15.064 1.00 0.00 O ATOM 0 H GLY A 87 -2.996 15.120 13.352 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.470 13.634 13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.123 12.775 12.506 1.00 0.00 H new ATOM 1367 N PRO A 88 -4.686 12.278 15.278 1.00 0.00 N ATOM 1368 CA PRO A 88 -4.342 11.814 16.611 1.00 0.00 C ATOM 1369 C PRO A 88 -3.200 10.797 16.560 1.00 0.00 C ATOM 1370 O PRO A 88 -2.667 10.510 15.489 1.00 0.00 O ATOM 1371 CB PRO A 88 -5.631 11.233 17.170 1.00 0.00 C ATOM 1372 CG PRO A 88 -6.525 10.970 15.970 1.00 0.00 C ATOM 1373 CD PRO A 88 -5.931 11.701 14.777 1.00 0.00 C ATOM 0 HA PRO A 88 -3.970 12.613 17.252 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -5.438 10.313 17.722 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.104 11.928 17.864 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.589 9.901 15.769 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.539 11.319 16.166 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -5.746 11.019 13.947 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.606 12.474 14.410 1.00 0.00 H new ATOM 1381 N SER A 89 -2.858 10.280 17.731 1.00 0.00 N ATOM 1382 CA SER A 89 -1.790 9.301 17.833 1.00 0.00 C ATOM 1383 C SER A 89 -2.183 8.197 18.816 1.00 0.00 C ATOM 1384 O SER A 89 -2.034 8.356 20.027 1.00 0.00 O ATOM 1385 CB SER A 89 -0.480 9.959 18.271 1.00 0.00 C ATOM 1386 OG SER A 89 -0.603 10.603 19.536 1.00 0.00 O ATOM 0 H SER A 89 -3.302 10.521 18.617 1.00 0.00 H new ATOM 0 HA SER A 89 -1.634 8.862 16.848 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.305 9.205 18.323 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.172 10.688 17.521 1.00 0.00 H new ATOM 0 HG SER A 89 -1.141 10.046 20.136 1.00 0.00 H new ATOM 1392 N SER A 90 -2.679 7.102 18.259 1.00 0.00 N ATOM 1393 CA SER A 90 -3.096 5.971 19.072 1.00 0.00 C ATOM 1394 C SER A 90 -3.822 6.467 20.324 1.00 0.00 C ATOM 1395 O SER A 90 -3.212 6.613 21.383 1.00 0.00 O ATOM 1396 CB SER A 90 -1.898 5.102 19.461 1.00 0.00 C ATOM 1397 OG SER A 90 -2.110 3.729 19.146 1.00 0.00 O ATOM 0 H SER A 90 -2.802 6.973 17.255 1.00 0.00 H new ATOM 0 HA SER A 90 -3.779 5.358 18.483 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.008 5.459 18.944 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.708 5.204 20.529 1.00 0.00 H new ATOM 0 HG SER A 90 -1.322 3.208 19.408 1.00 0.00 H new ATOM 1403 N GLY A 91 -5.114 6.711 20.162 1.00 0.00 N ATOM 1404 CA GLY A 91 -5.930 7.187 21.267 1.00 0.00 C ATOM 1405 C GLY A 91 -7.136 6.273 21.491 1.00 0.00 C ATOM 1406 O GLY A 91 -7.548 5.549 20.585 1.00 0.00 O ATOM 0 H GLY A 91 -5.616 6.588 19.283 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.329 7.231 22.175 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.271 8.202 21.061 1.00 0.00 H new TER 1410 GLY A 91