USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 23 CYS SG : rot 180:sc= -0.897 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 11 CYS SG : rot -130:sc= -1.18 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0237 K(o=-0.024,f=-1.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.4!) USER MOD Single : A 27 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.3) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 27:sc= -2.26! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 165:sc= -0.16 (180deg=-0.57) USER MOD Single : A 53 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.6) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -121:sc= -0.636 USER MOD Single : A 57 CYS SG : rot -150:sc= -2.29 USER MOD Single : A 62 SER OG : rot 27:sc= 0.0376 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 70:sc= -0.928 USER MOD Single : A 72 THR OG1 : rot 68:sc= 0.938 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 130:sc= 0.588 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 76 CYS SG : rot 22:sc= 0.00104 USER MOD Single : A 79 GLN :FLIP amide:sc= -1.78 F(o=-3.6!,f=-1.8) USER MOD Single : A 82 SER OG : rot -65:sc= 0.645 USER MOD Single : A 90 SER OG : rot 90:sc= 0 USER MOD Single : A 95 CYS SG : rot 170:sc= -0.845 USER MOD Single : A 97 THR OG1 : rot -174:sc= 0.443 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -11.256 -13.012 2.174 1.00 0.00 N ATOM 67 CA PRO A 8 -10.349 -13.424 1.099 1.00 0.00 C ATOM 68 C PRO A 8 -8.993 -13.878 1.629 1.00 0.00 C ATOM 69 O PRO A 8 -8.746 -13.853 2.834 1.00 0.00 O ATOM 70 CB PRO A 8 -10.196 -12.155 0.256 1.00 0.00 C ATOM 71 CG PRO A 8 -10.473 -11.037 1.201 1.00 0.00 C ATOM 72 CD PRO A 8 -11.497 -11.558 2.171 1.00 0.00 C ATOM 0 HA PRO A 8 -10.738 -14.277 0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.194 -12.078 -0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.895 -12.149 -0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.565 -10.731 1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.848 -10.162 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.366 -11.127 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.511 -11.319 1.851 1.00 0.00 H new ATOM 80 N ASP A 9 -8.117 -14.291 0.719 1.00 0.00 N ATOM 81 CA ASP A 9 -6.784 -14.750 1.095 1.00 0.00 C ATOM 82 C ASP A 9 -5.849 -13.567 1.332 1.00 0.00 C ATOM 83 O ASP A 9 -6.057 -12.482 0.787 1.00 0.00 O ATOM 84 CB ASP A 9 -6.210 -15.661 0.009 1.00 0.00 C ATOM 85 CG ASP A 9 -4.919 -16.330 0.437 1.00 0.00 C ATOM 86 OD1 ASP A 9 -4.780 -16.635 1.640 1.00 0.00 O ATOM 87 OD2 ASP A 9 -4.047 -16.548 -0.430 1.00 0.00 O ATOM 0 H ASP A 9 -8.305 -14.317 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.869 -15.314 2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.945 -16.425 -0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.031 -15.077 -0.894 1.00 0.00 H new ATOM 92 N GLN A 10 -4.822 -13.785 2.146 1.00 0.00 N ATOM 93 CA GLN A 10 -3.857 -12.736 2.455 1.00 0.00 C ATOM 94 C GLN A 10 -3.440 -11.991 1.192 1.00 0.00 C ATOM 95 O GLN A 10 -3.321 -12.586 0.120 1.00 0.00 O ATOM 96 CB GLN A 10 -2.626 -13.332 3.140 1.00 0.00 C ATOM 97 CG GLN A 10 -1.719 -12.291 3.774 1.00 0.00 C ATOM 98 CD GLN A 10 -0.280 -12.757 3.881 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.013 -13.907 4.232 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.656 -11.866 3.577 1.00 0.00 N ATOM 0 H GLN A 10 -4.636 -14.678 2.603 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.333 -12.027 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.952 -14.034 3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.054 -13.903 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.757 -11.375 3.185 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.093 -12.047 4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.390 -10.924 3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.642 -12.124 3.630 1.00 0.00 H new ATOM 109 N CYS A 11 -3.218 -10.688 1.325 1.00 0.00 N ATOM 110 CA CYS A 11 -2.815 -9.862 0.194 1.00 0.00 C ATOM 111 C CYS A 11 -1.299 -9.696 0.153 1.00 0.00 C ATOM 112 O CYS A 11 -0.651 -9.558 1.191 1.00 0.00 O ATOM 113 CB CYS A 11 -3.487 -8.490 0.272 1.00 0.00 C ATOM 114 SG CYS A 11 -5.196 -8.471 -0.318 1.00 0.00 S ATOM 0 H CYS A 11 -3.310 -10.181 2.205 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.132 -10.363 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.467 -8.146 1.306 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.904 -7.778 -0.312 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.352 -7.498 -1.166 1.00 0.00 H new ATOM 120 N LYS A 12 -0.739 -9.713 -1.051 1.00 0.00 N ATOM 121 CA LYS A 12 0.701 -9.566 -1.228 1.00 0.00 C ATOM 122 C LYS A 12 1.123 -8.110 -1.063 1.00 0.00 C ATOM 123 O LYS A 12 0.349 -7.184 -1.302 1.00 0.00 O ATOM 124 CB LYS A 12 1.121 -10.077 -2.608 1.00 0.00 C ATOM 125 CG LYS A 12 0.844 -11.556 -2.820 1.00 0.00 C ATOM 126 CD LYS A 12 2.009 -12.412 -2.355 1.00 0.00 C ATOM 127 CE LYS A 12 1.794 -13.879 -2.700 1.00 0.00 C ATOM 128 NZ LYS A 12 0.821 -14.528 -1.778 1.00 0.00 N ATOM 0 H LYS A 12 -1.261 -9.827 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 12 1.199 -10.159 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.597 -9.505 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.186 -9.892 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.057 -11.840 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.652 -11.744 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.930 -12.059 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.134 -12.305 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.434 -13.962 -3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.747 -14.407 -2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.702 -15.526 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.176 -14.471 -0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.096 -14.041 -1.841 1.00 0.00 H new ATOM 142 N PRO A 13 2.381 -7.901 -0.646 1.00 0.00 N ATOM 143 CA PRO A 13 2.935 -6.560 -0.442 1.00 0.00 C ATOM 144 C PRO A 13 3.143 -5.813 -1.755 1.00 0.00 C ATOM 145 O PRO A 13 3.599 -6.374 -2.751 1.00 0.00 O ATOM 146 CB PRO A 13 4.280 -6.830 0.238 1.00 0.00 C ATOM 147 CG PRO A 13 4.653 -8.207 -0.195 1.00 0.00 C ATOM 148 CD PRO A 13 3.359 -8.959 -0.342 1.00 0.00 C ATOM 0 HA PRO A 13 2.266 -5.928 0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.031 -6.102 -0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.195 -6.765 1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.201 -8.185 -1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.301 -8.685 0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.413 -9.698 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.100 -9.495 0.571 1.00 0.00 H new ATOM 156 N PRO A 14 2.802 -4.516 -1.759 1.00 0.00 N ATOM 157 CA PRO A 14 2.943 -3.663 -2.944 1.00 0.00 C ATOM 158 C PRO A 14 4.402 -3.381 -3.284 1.00 0.00 C ATOM 159 O PRO A 14 5.301 -3.684 -2.500 1.00 0.00 O ATOM 160 CB PRO A 14 2.228 -2.371 -2.538 1.00 0.00 C ATOM 161 CG PRO A 14 2.309 -2.345 -1.051 1.00 0.00 C ATOM 162 CD PRO A 14 2.252 -3.780 -0.607 1.00 0.00 C ATOM 0 HA PRO A 14 2.529 -4.132 -3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.710 -1.497 -2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.192 -2.368 -2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.232 -1.870 -0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.485 -1.772 -0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.842 -3.945 0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.232 -4.091 -0.382 1.00 0.00 H new ATOM 170 N GLN A 15 4.630 -2.799 -4.456 1.00 0.00 N ATOM 171 CA GLN A 15 5.981 -2.476 -4.900 1.00 0.00 C ATOM 172 C GLN A 15 6.205 -0.967 -4.909 1.00 0.00 C ATOM 173 O GLN A 15 5.555 -0.238 -5.656 1.00 0.00 O ATOM 174 CB GLN A 15 6.233 -3.050 -6.295 1.00 0.00 C ATOM 175 CG GLN A 15 7.600 -2.700 -6.859 1.00 0.00 C ATOM 176 CD GLN A 15 8.715 -3.518 -6.236 1.00 0.00 C ATOM 177 OE1 GLN A 15 8.511 -4.666 -5.838 1.00 0.00 O ATOM 178 NE2 GLN A 15 9.902 -2.932 -6.149 1.00 0.00 N ATOM 0 H GLN A 15 3.896 -2.541 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 15 6.684 -2.925 -4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.132 -4.135 -6.256 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.464 -2.682 -6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.596 -2.860 -7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.796 -1.640 -6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.027 -1.979 -6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.690 -3.434 -5.740 1.00 0.00 H new ATOM 187 N VAL A 16 7.130 -0.507 -4.072 1.00 0.00 N ATOM 188 CA VAL A 16 7.440 0.915 -3.985 1.00 0.00 C ATOM 189 C VAL A 16 8.535 1.300 -4.974 1.00 0.00 C ATOM 190 O VAL A 16 9.517 0.577 -5.143 1.00 0.00 O ATOM 191 CB VAL A 16 7.888 1.304 -2.564 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.715 1.243 -1.598 1.00 0.00 C ATOM 193 CG2 VAL A 16 9.022 0.404 -2.096 1.00 0.00 C ATOM 0 H VAL A 16 7.677 -1.098 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 16 6.526 1.455 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 16 8.256 2.330 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.051 1.521 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.938 1.934 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.314 0.230 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.325 0.694 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.685 -0.632 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.870 0.505 -2.774 1.00 0.00 H new ATOM 203 N THR A 17 8.358 2.445 -5.626 1.00 0.00 N ATOM 204 CA THR A 17 9.330 2.927 -6.600 1.00 0.00 C ATOM 205 C THR A 17 9.698 4.383 -6.336 1.00 0.00 C ATOM 206 O THR A 17 9.168 5.293 -6.974 1.00 0.00 O ATOM 207 CB THR A 17 8.795 2.798 -8.039 1.00 0.00 C ATOM 208 OG1 THR A 17 8.586 1.419 -8.362 1.00 0.00 O ATOM 209 CG2 THR A 17 9.764 3.417 -9.035 1.00 0.00 C ATOM 0 H THR A 17 7.551 3.056 -5.497 1.00 0.00 H new ATOM 0 HA THR A 17 10.219 2.305 -6.493 1.00 0.00 H new ATOM 0 HB THR A 17 7.847 3.332 -8.100 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.244 1.346 -9.278 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.364 3.314 -10.044 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.897 4.474 -8.804 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.726 2.908 -8.972 1.00 0.00 H new ATOM 217 N CYS A 18 10.608 4.595 -5.393 1.00 0.00 N ATOM 218 CA CYS A 18 11.048 5.941 -5.042 1.00 0.00 C ATOM 219 C CYS A 18 11.313 6.769 -6.296 1.00 0.00 C ATOM 220 O CYS A 18 12.395 6.700 -6.880 1.00 0.00 O ATOM 221 CB CYS A 18 12.309 5.881 -4.179 1.00 0.00 C ATOM 222 SG CYS A 18 12.001 5.445 -2.452 1.00 0.00 S ATOM 0 H CYS A 18 11.056 3.852 -4.857 1.00 0.00 H new ATOM 0 HA CYS A 18 10.252 6.420 -4.473 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.997 5.153 -4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.807 6.850 -4.215 1.00 0.00 H new ATOM 0 HG CYS A 18 13.128 5.418 -1.804 1.00 0.00 H new ATOM 228 N ARG A 19 10.318 7.550 -6.705 1.00 0.00 N ATOM 229 CA ARG A 19 10.444 8.388 -7.891 1.00 0.00 C ATOM 230 C ARG A 19 11.455 9.508 -7.661 1.00 0.00 C ATOM 231 O ARG A 19 12.174 9.906 -8.578 1.00 0.00 O ATOM 232 CB ARG A 19 9.086 8.983 -8.268 1.00 0.00 C ATOM 233 CG ARG A 19 8.242 8.069 -9.141 1.00 0.00 C ATOM 234 CD ARG A 19 8.775 8.008 -10.563 1.00 0.00 C ATOM 235 NE ARG A 19 8.282 9.114 -11.380 1.00 0.00 N ATOM 236 CZ ARG A 19 7.006 9.266 -11.719 1.00 0.00 C ATOM 237 NH1 ARG A 19 6.100 8.386 -11.315 1.00 0.00 N ATOM 238 NH2 ARG A 19 6.635 10.298 -12.465 1.00 0.00 N ATOM 0 H ARG A 19 9.417 7.620 -6.233 1.00 0.00 H new ATOM 0 HA ARG A 19 10.800 7.763 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.534 9.213 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.245 9.926 -8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.228 7.067 -8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.212 8.425 -9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.865 8.030 -10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.483 7.062 -11.019 1.00 0.00 H new ATOM 0 HE ARG A 19 8.954 9.808 -11.708 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.382 7.590 -10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.121 8.505 -11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.329 10.976 -12.779 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.655 10.414 -12.725 1.00 0.00 H new ATOM 252 N SER A 20 11.504 10.011 -6.432 1.00 0.00 N ATOM 253 CA SER A 20 12.423 11.087 -6.082 1.00 0.00 C ATOM 254 C SER A 20 12.629 11.155 -4.572 1.00 0.00 C ATOM 255 O SER A 20 11.973 10.445 -3.812 1.00 0.00 O ATOM 256 CB SER A 20 11.892 12.427 -6.597 1.00 0.00 C ATOM 257 OG SER A 20 12.955 13.320 -6.884 1.00 0.00 O ATOM 0 H SER A 20 10.918 9.690 -5.662 1.00 0.00 H new ATOM 0 HA SER A 20 13.384 10.880 -6.553 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.296 12.265 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.231 12.870 -5.852 1.00 0.00 H new ATOM 0 HG SER A 20 12.590 14.168 -7.213 1.00 0.00 H new ATOM 263 N ALA A 21 13.548 12.017 -4.146 1.00 0.00 N ATOM 264 CA ALA A 21 13.841 12.180 -2.727 1.00 0.00 C ATOM 265 C ALA A 21 12.558 12.284 -1.910 1.00 0.00 C ATOM 266 O ALA A 21 12.453 11.712 -0.825 1.00 0.00 O ATOM 267 CB ALA A 21 14.711 13.410 -2.507 1.00 0.00 C ATOM 0 H ALA A 21 14.101 12.612 -4.763 1.00 0.00 H new ATOM 0 HA ALA A 21 14.385 11.298 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.923 13.521 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.647 13.296 -3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.187 14.295 -2.867 1.00 0.00 H new ATOM 273 N THR A 22 11.584 13.020 -2.437 1.00 0.00 N ATOM 274 CA THR A 22 10.309 13.200 -1.755 1.00 0.00 C ATOM 275 C THR A 22 9.151 12.703 -2.613 1.00 0.00 C ATOM 276 O THR A 22 8.040 13.228 -2.539 1.00 0.00 O ATOM 277 CB THR A 22 10.068 14.679 -1.396 1.00 0.00 C ATOM 278 OG1 THR A 22 10.005 15.468 -2.590 1.00 0.00 O ATOM 279 CG2 THR A 22 11.174 15.203 -0.493 1.00 0.00 C ATOM 0 H THR A 22 11.654 13.501 -3.334 1.00 0.00 H new ATOM 0 HA THR A 22 10.356 12.613 -0.838 1.00 0.00 H new ATOM 0 HB THR A 22 9.120 14.752 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.850 16.406 -2.354 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.983 16.249 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.200 14.618 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.133 15.118 -1.005 1.00 0.00 H new ATOM 287 N CYS A 23 9.418 11.686 -3.426 1.00 0.00 N ATOM 288 CA CYS A 23 8.398 11.117 -4.299 1.00 0.00 C ATOM 289 C CYS A 23 8.487 9.594 -4.318 1.00 0.00 C ATOM 290 O CYS A 23 9.577 9.027 -4.382 1.00 0.00 O ATOM 291 CB CYS A 23 8.547 11.666 -5.718 1.00 0.00 C ATOM 292 SG CYS A 23 8.580 13.472 -5.810 1.00 0.00 S ATOM 0 H CYS A 23 10.332 11.239 -3.498 1.00 0.00 H new ATOM 0 HA CYS A 23 7.421 11.401 -3.908 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.466 11.274 -6.153 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.722 11.297 -6.328 1.00 0.00 H new ATOM 0 HG CYS A 23 8.711 13.841 -7.050 1.00 0.00 H new ATOM 298 N ALA A 24 7.333 8.939 -4.261 1.00 0.00 N ATOM 299 CA ALA A 24 7.280 7.482 -4.273 1.00 0.00 C ATOM 300 C ALA A 24 5.943 6.985 -4.812 1.00 0.00 C ATOM 301 O ALA A 24 4.893 7.553 -4.511 1.00 0.00 O ATOM 302 CB ALA A 24 7.524 6.934 -2.874 1.00 0.00 C ATOM 0 H ALA A 24 6.422 9.394 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 24 8.066 7.120 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.482 5.845 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.507 7.252 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.759 7.312 -2.196 1.00 0.00 H new ATOM 308 N GLN A 25 5.990 5.923 -5.610 1.00 0.00 N ATOM 309 CA GLN A 25 4.781 5.352 -6.191 1.00 0.00 C ATOM 310 C GLN A 25 4.581 3.913 -5.727 1.00 0.00 C ATOM 311 O GLN A 25 5.502 3.098 -5.780 1.00 0.00 O ATOM 312 CB GLN A 25 4.853 5.401 -7.719 1.00 0.00 C ATOM 313 CG GLN A 25 3.645 4.782 -8.404 1.00 0.00 C ATOM 314 CD GLN A 25 3.918 4.417 -9.850 1.00 0.00 C ATOM 315 OE1 GLN A 25 5.047 4.091 -10.218 1.00 0.00 O ATOM 316 NE2 GLN A 25 2.884 4.471 -10.680 1.00 0.00 N ATOM 0 H GLN A 25 6.851 5.441 -5.869 1.00 0.00 H new ATOM 0 HA GLN A 25 3.931 5.945 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.949 6.439 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.753 4.882 -8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.341 3.888 -7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.810 5.481 -8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.965 4.746 -10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.008 4.237 -11.665 1.00 0.00 H new ATOM 325 N VAL A 26 3.370 3.607 -5.269 1.00 0.00 N ATOM 326 CA VAL A 26 3.049 2.266 -4.795 1.00 0.00 C ATOM 327 C VAL A 26 2.257 1.488 -5.841 1.00 0.00 C ATOM 328 O VAL A 26 1.592 2.076 -6.693 1.00 0.00 O ATOM 329 CB VAL A 26 2.240 2.313 -3.485 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.284 0.965 -2.782 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.763 3.415 -2.576 1.00 0.00 C ATOM 0 H VAL A 26 2.596 4.270 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 26 3.997 1.760 -4.611 1.00 0.00 H new ATOM 0 HB VAL A 26 1.201 2.536 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.707 1.017 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.859 0.201 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.318 0.709 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.180 3.434 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.810 3.225 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.674 4.377 -3.082 1.00 0.00 H new ATOM 341 N ASN A 27 2.334 0.164 -5.768 1.00 0.00 N ATOM 342 CA ASN A 27 1.624 -0.696 -6.709 1.00 0.00 C ATOM 343 C ASN A 27 1.277 -2.035 -6.067 1.00 0.00 C ATOM 344 O ASN A 27 2.131 -2.687 -5.466 1.00 0.00 O ATOM 345 CB ASN A 27 2.471 -0.923 -7.963 1.00 0.00 C ATOM 346 CG ASN A 27 2.866 0.377 -8.637 1.00 0.00 C ATOM 347 OD1 ASN A 27 4.044 0.729 -8.690 1.00 0.00 O ATOM 348 ND2 ASN A 27 1.879 1.098 -9.156 1.00 0.00 N ATOM 0 H ASN A 27 2.880 -0.337 -5.068 1.00 0.00 H new ATOM 0 HA ASN A 27 0.697 -0.197 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.370 -1.478 -7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.914 -1.540 -8.668 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.084 1.982 -9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.916 0.768 -9.089 1.00 0.00 H new ATOM 355 N TRP A 28 0.019 -2.439 -6.200 1.00 0.00 N ATOM 356 CA TRP A 28 -0.442 -3.702 -5.633 1.00 0.00 C ATOM 357 C TRP A 28 -1.206 -4.517 -6.669 1.00 0.00 C ATOM 358 O TRP A 28 -1.340 -4.104 -7.821 1.00 0.00 O ATOM 359 CB TRP A 28 -1.329 -3.443 -4.414 1.00 0.00 C ATOM 360 CG TRP A 28 -2.504 -2.560 -4.710 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.745 -2.956 -5.119 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.544 -1.132 -4.623 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.555 -1.860 -5.290 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.843 -0.729 -4.992 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.612 -0.154 -4.267 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.229 0.609 -5.015 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.997 1.173 -4.291 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.296 1.545 -4.663 1.00 0.00 C ATOM 0 H TRP A 28 -0.700 -1.911 -6.695 1.00 0.00 H new ATOM 0 HA TRP A 28 0.433 -4.273 -5.323 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.689 -4.396 -4.026 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.729 -2.985 -3.628 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.045 -3.980 -5.284 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.529 -1.885 -5.590 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.609 -0.430 -3.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.230 0.897 -5.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.284 1.937 -4.018 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.565 2.591 -4.672 1.00 0.00 H new ATOM 379 N GLU A 29 -1.706 -5.677 -6.254 1.00 0.00 N ATOM 380 CA GLU A 29 -2.456 -6.550 -7.149 1.00 0.00 C ATOM 381 C GLU A 29 -3.495 -7.358 -6.376 1.00 0.00 C ATOM 382 O GLU A 29 -3.376 -7.547 -5.165 1.00 0.00 O ATOM 383 CB GLU A 29 -1.507 -7.494 -7.890 1.00 0.00 C ATOM 384 CG GLU A 29 -0.604 -6.790 -8.889 1.00 0.00 C ATOM 385 CD GLU A 29 -1.365 -6.252 -10.085 1.00 0.00 C ATOM 386 OE1 GLU A 29 -1.628 -7.036 -11.021 1.00 0.00 O ATOM 387 OE2 GLU A 29 -1.698 -5.048 -10.085 1.00 0.00 O ATOM 0 H GLU A 29 -1.605 -6.034 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.975 -5.924 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.889 -8.019 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.094 -8.249 -8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.089 -5.968 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.162 -7.485 -9.233 1.00 0.00 H new ATOM 394 N VAL A 30 -4.513 -7.833 -7.085 1.00 0.00 N ATOM 395 CA VAL A 30 -5.573 -8.622 -6.468 1.00 0.00 C ATOM 396 C VAL A 30 -5.136 -10.068 -6.266 1.00 0.00 C ATOM 397 O VAL A 30 -4.574 -10.704 -7.159 1.00 0.00 O ATOM 398 CB VAL A 30 -6.857 -8.600 -7.318 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.016 -9.217 -6.551 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.188 -7.177 -7.746 1.00 0.00 C ATOM 0 H VAL A 30 -4.627 -7.685 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.780 -8.169 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.688 -9.196 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.914 -9.193 -7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.777 -10.250 -6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.189 -8.651 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.098 -7.180 -8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.338 -6.557 -6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.365 -6.774 -8.337 1.00 0.00 H new ATOM 410 N PRO A 31 -5.397 -10.603 -5.064 1.00 0.00 N ATOM 411 CA PRO A 31 -5.040 -11.982 -4.717 1.00 0.00 C ATOM 412 C PRO A 31 -5.885 -13.006 -5.466 1.00 0.00 C ATOM 413 O PRO A 31 -6.548 -12.679 -6.451 1.00 0.00 O ATOM 414 CB PRO A 31 -5.321 -12.053 -3.214 1.00 0.00 C ATOM 415 CG PRO A 31 -6.353 -11.006 -2.971 1.00 0.00 C ATOM 416 CD PRO A 31 -6.062 -9.904 -3.952 1.00 0.00 C ATOM 0 HA PRO A 31 -4.009 -12.216 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.683 -13.040 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.419 -11.862 -2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.356 -11.405 -3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.303 -10.639 -1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.975 -9.406 -4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.419 -9.138 -3.517 1.00 0.00 H new ATOM 424 N LEU A 32 -5.858 -14.248 -4.993 1.00 0.00 N ATOM 425 CA LEU A 32 -6.623 -15.321 -5.619 1.00 0.00 C ATOM 426 C LEU A 32 -7.819 -15.711 -4.756 1.00 0.00 C ATOM 427 O LEU A 32 -7.864 -16.810 -4.202 1.00 0.00 O ATOM 428 CB LEU A 32 -5.730 -16.540 -5.855 1.00 0.00 C ATOM 429 CG LEU A 32 -6.384 -17.724 -6.567 1.00 0.00 C ATOM 430 CD1 LEU A 32 -6.580 -17.417 -8.043 1.00 0.00 C ATOM 431 CD2 LEU A 32 -5.548 -18.983 -6.388 1.00 0.00 C ATOM 0 H LEU A 32 -5.315 -14.536 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.993 -14.959 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.865 -16.224 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.356 -16.883 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.363 -17.896 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.047 -18.271 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.221 -16.542 -8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.613 -17.217 -8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.029 -19.815 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.555 -18.823 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.460 -19.214 -5.326 1.00 0.00 H new ATOM 501 N VAL A 38 -13.331 -8.688 -3.948 1.00 0.00 N ATOM 502 CA VAL A 38 -12.955 -7.395 -3.391 1.00 0.00 C ATOM 503 C VAL A 38 -13.796 -6.273 -3.991 1.00 0.00 C ATOM 504 O VAL A 38 -14.210 -6.343 -5.148 1.00 0.00 O ATOM 505 CB VAL A 38 -11.465 -7.091 -3.631 1.00 0.00 C ATOM 506 CG1 VAL A 38 -11.042 -5.849 -2.861 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.608 -8.286 -3.244 1.00 0.00 C ATOM 0 HA VAL A 38 -13.138 -7.448 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.319 -6.897 -4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.986 -5.650 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.634 -4.996 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.202 -6.010 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.558 -8.053 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.757 -8.514 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.894 -9.149 -3.845 1.00 0.00 H new ATOM 517 N THR A 39 -14.043 -5.236 -3.196 1.00 0.00 N ATOM 518 CA THR A 39 -14.834 -4.098 -3.648 1.00 0.00 C ATOM 519 C THR A 39 -14.064 -2.793 -3.483 1.00 0.00 C ATOM 520 O THR A 39 -14.293 -1.830 -4.215 1.00 0.00 O ATOM 521 CB THR A 39 -16.164 -3.998 -2.878 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.910 -3.700 -1.499 1.00 0.00 O ATOM 523 CG2 THR A 39 -16.952 -5.295 -2.985 1.00 0.00 C ATOM 0 H THR A 39 -13.707 -5.161 -2.236 1.00 0.00 H new ATOM 0 HA THR A 39 -15.046 -4.260 -4.705 1.00 0.00 H new ATOM 0 HB THR A 39 -16.755 -3.196 -3.321 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.760 -3.636 -1.016 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.887 -5.199 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.169 -5.504 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.366 -6.113 -2.566 1.00 0.00 H new ATOM 531 N GLU A 40 -13.149 -2.769 -2.518 1.00 0.00 N ATOM 532 CA GLU A 40 -12.346 -1.579 -2.259 1.00 0.00 C ATOM 533 C GLU A 40 -10.954 -1.961 -1.767 1.00 0.00 C ATOM 534 O GLU A 40 -10.669 -3.134 -1.522 1.00 0.00 O ATOM 535 CB GLU A 40 -13.036 -0.686 -1.226 1.00 0.00 C ATOM 536 CG GLU A 40 -14.155 0.164 -1.806 1.00 0.00 C ATOM 537 CD GLU A 40 -13.815 0.717 -3.177 1.00 0.00 C ATOM 538 OE1 GLU A 40 -12.659 1.145 -3.374 1.00 0.00 O ATOM 539 OE2 GLU A 40 -14.706 0.722 -4.052 1.00 0.00 O ATOM 0 H GLU A 40 -12.946 -3.558 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.245 -1.029 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.441 -1.311 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.293 -0.032 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.063 -0.435 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.368 0.990 -1.127 1.00 0.00 H new ATOM 546 N TYR A 41 -10.088 -0.963 -1.626 1.00 0.00 N ATOM 547 CA TYR A 41 -8.723 -1.194 -1.167 1.00 0.00 C ATOM 548 C TYR A 41 -8.250 -0.052 -0.272 1.00 0.00 C ATOM 549 O TYR A 41 -8.153 1.095 -0.709 1.00 0.00 O ATOM 550 CB TYR A 41 -7.780 -1.345 -2.361 1.00 0.00 C ATOM 551 CG TYR A 41 -7.965 -2.641 -3.118 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.085 -2.849 -3.915 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.021 -3.658 -3.035 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.258 -4.033 -4.607 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.186 -4.843 -3.726 1.00 0.00 C ATOM 556 CZ TYR A 41 -8.305 -5.026 -4.510 1.00 0.00 C ATOM 557 OH TYR A 41 -8.475 -6.205 -5.198 1.00 0.00 O ATOM 0 H TYR A 41 -10.307 0.014 -1.823 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.713 -2.116 -0.586 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.935 -0.510 -3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.750 -1.283 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.832 -2.073 -3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.144 -3.520 -2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.135 -4.180 -5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.442 -5.622 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.026 -6.044 -5.992 1.00 0.00 H new ATOM 567 N ARG A 42 -7.954 -0.376 0.982 1.00 0.00 N ATOM 568 CA ARG A 42 -7.491 0.621 1.940 1.00 0.00 C ATOM 569 C ARG A 42 -5.976 0.553 2.105 1.00 0.00 C ATOM 570 O ARG A 42 -5.452 -0.346 2.764 1.00 0.00 O ATOM 571 CB ARG A 42 -8.172 0.414 3.294 1.00 0.00 C ATOM 572 CG ARG A 42 -9.503 1.137 3.424 1.00 0.00 C ATOM 573 CD ARG A 42 -10.237 0.731 4.693 1.00 0.00 C ATOM 574 NE ARG A 42 -11.570 1.322 4.768 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.485 0.959 5.659 1.00 0.00 C ATOM 576 NH1 ARG A 42 -12.213 0.013 6.546 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.677 1.544 5.664 1.00 0.00 N ATOM 0 H ARG A 42 -8.026 -1.321 1.359 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.754 1.607 1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.331 -0.653 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.503 0.757 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.334 2.214 3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.125 0.916 2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.320 -0.355 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.655 1.038 5.562 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.811 2.054 4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.298 -0.439 6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.918 -0.264 7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.890 2.273 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.379 1.265 6.349 1.00 0.00 H new ATOM 591 N LEU A 43 -5.278 1.509 1.501 1.00 0.00 N ATOM 592 CA LEU A 43 -3.822 1.558 1.581 1.00 0.00 C ATOM 593 C LEU A 43 -3.367 2.598 2.600 1.00 0.00 C ATOM 594 O LEU A 43 -3.648 3.787 2.455 1.00 0.00 O ATOM 595 CB LEU A 43 -3.227 1.879 0.208 1.00 0.00 C ATOM 596 CG LEU A 43 -1.749 2.268 0.192 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.870 1.028 0.257 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.426 3.086 -1.050 1.00 0.00 C ATOM 0 H LEU A 43 -5.696 2.260 0.951 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.467 0.579 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.360 1.010 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.801 2.694 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.545 2.881 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.179 1.324 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.081 0.480 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.077 0.390 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.369 3.354 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.646 2.498 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.030 3.993 -1.056 1.00 0.00 H new ATOM 610 N GLU A 44 -2.661 2.140 3.630 1.00 0.00 N ATOM 611 CA GLU A 44 -2.165 3.032 4.672 1.00 0.00 C ATOM 612 C GLU A 44 -0.675 3.304 4.492 1.00 0.00 C ATOM 613 O GLU A 44 0.098 2.401 4.169 1.00 0.00 O ATOM 614 CB GLU A 44 -2.422 2.428 6.054 1.00 0.00 C ATOM 615 CG GLU A 44 -3.864 2.002 6.274 1.00 0.00 C ATOM 616 CD GLU A 44 -4.125 1.541 7.695 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.458 2.054 8.618 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.995 0.665 7.885 1.00 0.00 O ATOM 0 H GLU A 44 -2.420 1.158 3.765 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.701 3.978 4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.772 1.564 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.147 3.157 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.525 2.836 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.110 1.196 5.583 1.00 0.00 H new ATOM 625 N TRP A 45 -0.279 4.554 4.702 1.00 0.00 N ATOM 626 CA TRP A 45 1.120 4.946 4.563 1.00 0.00 C ATOM 627 C TRP A 45 1.556 5.828 5.728 1.00 0.00 C ATOM 628 O TRP A 45 0.947 6.863 5.997 1.00 0.00 O ATOM 629 CB TRP A 45 1.335 5.684 3.240 1.00 0.00 C ATOM 630 CG TRP A 45 2.727 6.213 3.075 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.284 7.272 3.734 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.736 5.711 2.192 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.579 7.457 3.314 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.881 6.511 2.369 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.785 4.660 1.273 1.00 0.00 C ATOM 636 CZ2 TRP A 45 6.058 6.295 1.659 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.954 4.445 0.568 1.00 0.00 C ATOM 638 CH2 TRP A 45 6.078 5.259 0.764 1.00 0.00 C ATOM 0 H TRP A 45 -0.906 5.313 4.969 1.00 0.00 H new ATOM 0 HA TRP A 45 1.728 4.041 4.569 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.110 5.008 2.415 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.629 6.512 3.175 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.781 7.875 4.476 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.213 8.181 3.651 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.924 4.027 1.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.925 6.922 1.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.002 3.636 -0.146 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.977 5.065 0.198 1.00 0.00 H new ATOM 649 N GLY A 46 2.615 5.412 6.415 1.00 0.00 N ATOM 650 CA GLY A 46 3.115 6.177 7.543 1.00 0.00 C ATOM 651 C GLY A 46 4.603 5.988 7.758 1.00 0.00 C ATOM 652 O GLY A 46 5.088 4.859 7.830 1.00 0.00 O ATOM 0 H GLY A 46 3.136 4.559 6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.906 7.235 7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.580 5.880 8.445 1.00 0.00 H new ATOM 656 N GLY A 47 5.331 7.096 7.859 1.00 0.00 N ATOM 657 CA GLY A 47 6.766 7.025 8.065 1.00 0.00 C ATOM 658 C GLY A 47 7.167 5.873 8.964 1.00 0.00 C ATOM 659 O GLY A 47 8.136 5.167 8.686 1.00 0.00 O ATOM 0 H GLY A 47 4.953 8.042 7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.263 6.919 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.114 7.961 8.502 1.00 0.00 H new ATOM 663 N VAL A 48 6.420 5.682 10.047 1.00 0.00 N ATOM 664 CA VAL A 48 6.703 4.608 10.992 1.00 0.00 C ATOM 665 C VAL A 48 5.590 3.566 10.990 1.00 0.00 C ATOM 666 O VAL A 48 4.429 3.885 11.245 1.00 0.00 O ATOM 667 CB VAL A 48 6.881 5.150 12.423 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.824 4.016 13.435 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.188 5.919 12.542 1.00 0.00 C ATOM 0 H VAL A 48 5.614 6.257 10.292 1.00 0.00 H new ATOM 0 HA VAL A 48 7.634 4.142 10.670 1.00 0.00 H new ATOM 0 HB VAL A 48 6.062 5.836 12.638 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.952 4.418 14.440 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.859 3.514 13.365 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.620 3.302 13.226 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.298 6.295 13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.022 5.257 12.308 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.182 6.757 11.844 1.00 0.00 H new ATOM 679 N GLU A 49 5.953 2.321 10.698 1.00 0.00 N ATOM 680 CA GLU A 49 4.984 1.233 10.663 1.00 0.00 C ATOM 681 C GLU A 49 4.142 1.211 11.935 1.00 0.00 C ATOM 682 O GLU A 49 3.010 0.729 11.935 1.00 0.00 O ATOM 683 CB GLU A 49 5.697 -0.110 10.487 1.00 0.00 C ATOM 684 CG GLU A 49 6.586 -0.484 11.662 1.00 0.00 C ATOM 685 CD GLU A 49 7.338 -1.781 11.434 1.00 0.00 C ATOM 686 OE1 GLU A 49 6.684 -2.799 11.123 1.00 0.00 O ATOM 687 OE2 GLU A 49 8.579 -1.780 11.567 1.00 0.00 O ATOM 0 H GLU A 49 6.910 2.041 10.483 1.00 0.00 H new ATOM 0 HA GLU A 49 4.322 1.399 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.951 -0.892 10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.302 -0.075 9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.300 0.319 11.842 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.975 -0.575 12.560 1.00 0.00 H new ATOM 694 N GLY A 50 4.704 1.738 13.019 1.00 0.00 N ATOM 695 CA GLY A 50 3.992 1.768 14.283 1.00 0.00 C ATOM 696 C GLY A 50 2.734 2.612 14.219 1.00 0.00 C ATOM 697 O GLY A 50 1.767 2.352 14.936 1.00 0.00 O ATOM 0 H GLY A 50 5.639 2.144 13.044 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.729 0.751 14.573 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.650 2.160 15.058 1.00 0.00 H new ATOM 701 N SER A 51 2.746 3.626 13.360 1.00 0.00 N ATOM 702 CA SER A 51 1.599 4.514 13.210 1.00 0.00 C ATOM 703 C SER A 51 1.300 4.770 11.736 1.00 0.00 C ATOM 704 O SER A 51 2.065 5.440 11.042 1.00 0.00 O ATOM 705 CB SER A 51 1.856 5.840 13.927 1.00 0.00 C ATOM 706 OG SER A 51 0.641 6.440 14.342 1.00 0.00 O ATOM 0 H SER A 51 3.537 3.853 12.757 1.00 0.00 H new ATOM 0 HA SER A 51 0.733 4.028 13.660 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.496 5.671 14.793 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.392 6.518 13.263 1.00 0.00 H new ATOM 0 HG SER A 51 0.833 7.285 14.799 1.00 0.00 H new ATOM 712 N MET A 52 0.180 4.231 11.263 1.00 0.00 N ATOM 713 CA MET A 52 -0.221 4.401 9.872 1.00 0.00 C ATOM 714 C MET A 52 -1.700 4.764 9.773 1.00 0.00 C ATOM 715 O MET A 52 -2.468 4.528 10.705 1.00 0.00 O ATOM 716 CB MET A 52 0.056 3.124 9.078 1.00 0.00 C ATOM 717 CG MET A 52 1.509 2.677 9.134 1.00 0.00 C ATOM 718 SD MET A 52 1.704 0.910 8.827 1.00 0.00 S ATOM 719 CE MET A 52 2.162 0.916 7.096 1.00 0.00 C ATOM 0 H MET A 52 -0.465 3.673 11.823 1.00 0.00 H new ATOM 0 HA MET A 52 0.365 5.217 9.449 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.577 2.323 9.461 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.227 3.284 8.038 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.086 3.236 8.397 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.922 2.920 10.113 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.572 -0.057 6.825 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.281 1.121 6.487 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.912 1.687 6.921 1.00 0.00 H new ATOM 729 N GLN A 53 -2.090 5.338 8.639 1.00 0.00 N ATOM 730 CA GLN A 53 -3.476 5.734 8.422 1.00 0.00 C ATOM 731 C GLN A 53 -3.838 5.655 6.942 1.00 0.00 C ATOM 732 O GLN A 53 -2.959 5.596 6.080 1.00 0.00 O ATOM 733 CB GLN A 53 -3.712 7.153 8.942 1.00 0.00 C ATOM 734 CG GLN A 53 -3.779 7.240 10.459 1.00 0.00 C ATOM 735 CD GLN A 53 -5.039 6.613 11.023 1.00 0.00 C ATOM 736 OE1 GLN A 53 -5.920 6.184 10.278 1.00 0.00 O ATOM 737 NE2 GLN A 53 -5.130 6.557 12.347 1.00 0.00 N ATOM 0 H GLN A 53 -1.466 5.539 7.857 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.115 5.043 8.972 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.912 7.800 8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.643 7.535 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.908 6.744 10.887 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.731 8.286 10.762 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.375 6.925 12.926 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.955 6.146 12.785 1.00 0.00 H new ATOM 746 N ILE A 54 -5.136 5.657 6.654 1.00 0.00 N ATOM 747 CA ILE A 54 -5.613 5.587 5.279 1.00 0.00 C ATOM 748 C ILE A 54 -4.991 6.687 4.425 1.00 0.00 C ATOM 749 O ILE A 54 -5.059 7.867 4.769 1.00 0.00 O ATOM 750 CB ILE A 54 -7.146 5.703 5.208 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.801 4.632 6.083 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.621 5.582 3.768 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.600 3.224 5.567 1.00 0.00 C ATOM 0 H ILE A 54 -5.875 5.706 7.355 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.312 4.614 4.890 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.439 6.683 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.396 4.702 7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.870 4.835 6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.707 5.666 3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.177 6.378 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.320 4.615 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.091 2.518 6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.030 3.137 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.534 3.001 5.523 1.00 0.00 H new ATOM 765 N CYS A 55 -4.386 6.292 3.309 1.00 0.00 N ATOM 766 CA CYS A 55 -3.753 7.244 2.405 1.00 0.00 C ATOM 767 C CYS A 55 -4.520 7.336 1.089 1.00 0.00 C ATOM 768 O CYS A 55 -4.680 8.420 0.527 1.00 0.00 O ATOM 769 CB CYS A 55 -2.302 6.839 2.137 1.00 0.00 C ATOM 770 SG CYS A 55 -1.339 8.085 1.252 1.00 0.00 S ATOM 0 H CYS A 55 -4.321 5.319 3.010 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.766 8.224 2.882 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.814 6.626 3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.295 5.914 1.561 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.126 7.651 1.075 1.00 0.00 H new ATOM 776 N TYR A 56 -4.988 6.193 0.603 1.00 0.00 N ATOM 777 CA TYR A 56 -5.734 6.143 -0.650 1.00 0.00 C ATOM 778 C TYR A 56 -6.865 5.123 -0.570 1.00 0.00 C ATOM 779 O TYR A 56 -6.722 4.068 0.050 1.00 0.00 O ATOM 780 CB TYR A 56 -4.800 5.798 -1.810 1.00 0.00 C ATOM 781 CG TYR A 56 -5.526 5.488 -3.099 1.00 0.00 C ATOM 782 CD1 TYR A 56 -6.107 4.244 -3.312 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.632 6.440 -4.106 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.770 3.957 -4.489 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.295 6.163 -5.286 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.863 4.920 -5.472 1.00 0.00 C ATOM 787 OH TYR A 56 -7.524 4.638 -6.647 1.00 0.00 O ATOM 0 H TYR A 56 -4.865 5.288 1.057 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.169 7.127 -0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.119 6.632 -1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.189 4.939 -1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.039 3.488 -2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.188 7.414 -3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.213 2.984 -4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.368 6.915 -6.058 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.910 4.751 -7.403 1.00 0.00 H new ATOM 797 N CYS A 57 -7.988 5.444 -1.202 1.00 0.00 N ATOM 798 CA CYS A 57 -9.145 4.556 -1.204 1.00 0.00 C ATOM 799 C CYS A 57 -9.771 4.480 -2.593 1.00 0.00 C ATOM 800 O CYS A 57 -9.726 5.443 -3.358 1.00 0.00 O ATOM 801 CB CYS A 57 -10.185 5.036 -0.189 1.00 0.00 C ATOM 802 SG CYS A 57 -9.482 5.912 1.228 1.00 0.00 S ATOM 0 H CYS A 57 -8.122 6.313 -1.720 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.806 3.559 -0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.894 5.693 -0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.749 4.176 0.172 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.238 5.729 2.270 1.00 0.00 H new ATOM 808 N GLY A 58 -10.351 3.327 -2.913 1.00 0.00 N ATOM 809 CA GLY A 58 -10.975 3.147 -4.210 1.00 0.00 C ATOM 810 C GLY A 58 -10.551 1.856 -4.883 1.00 0.00 C ATOM 811 O GLY A 58 -9.624 1.176 -4.441 1.00 0.00 O ATOM 0 H GLY A 58 -10.400 2.515 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.059 3.153 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.719 3.989 -4.853 1.00 0.00 H new ATOM 815 N PRO A 59 -11.240 1.499 -5.977 1.00 0.00 N ATOM 816 CA PRO A 59 -10.950 0.279 -6.733 1.00 0.00 C ATOM 817 C PRO A 59 -9.621 0.360 -7.478 1.00 0.00 C ATOM 818 O PRO A 59 -9.159 -0.624 -8.054 1.00 0.00 O ATOM 819 CB PRO A 59 -12.113 0.189 -7.724 1.00 0.00 C ATOM 820 CG PRO A 59 -12.580 1.593 -7.889 1.00 0.00 C ATOM 821 CD PRO A 59 -12.358 2.262 -6.560 1.00 0.00 C ATOM 0 HA PRO A 59 -10.859 -0.591 -6.082 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.791 -0.235 -8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.909 -0.451 -7.343 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.024 2.099 -8.678 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.633 1.624 -8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.107 3.316 -6.678 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.248 2.214 -5.932 1.00 0.00 H new ATOM 829 N GLY A 60 -9.011 1.542 -7.462 1.00 0.00 N ATOM 830 CA GLY A 60 -7.742 1.731 -8.139 1.00 0.00 C ATOM 831 C GLY A 60 -6.701 0.714 -7.715 1.00 0.00 C ATOM 832 O GLY A 60 -6.795 0.133 -6.632 1.00 0.00 O ATOM 0 H GLY A 60 -9.374 2.372 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.895 1.662 -9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.370 2.735 -7.933 1.00 0.00 H new ATOM 836 N LEU A 61 -5.707 0.495 -8.568 1.00 0.00 N ATOM 837 CA LEU A 61 -4.645 -0.461 -8.275 1.00 0.00 C ATOM 838 C LEU A 61 -3.272 0.182 -8.445 1.00 0.00 C ATOM 839 O LEU A 61 -2.289 -0.498 -8.742 1.00 0.00 O ATOM 840 CB LEU A 61 -4.765 -1.682 -9.190 1.00 0.00 C ATOM 841 CG LEU A 61 -6.154 -2.312 -9.288 1.00 0.00 C ATOM 842 CD1 LEU A 61 -6.281 -3.129 -10.564 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.437 -3.177 -8.068 1.00 0.00 C ATOM 0 H LEU A 61 -5.614 0.966 -9.468 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.752 -0.779 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.447 -1.393 -10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.067 -2.443 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.893 -1.511 -9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.277 -3.570 -10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.125 -2.482 -11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.533 -3.922 -10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.430 -3.617 -8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.693 -3.971 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.390 -2.563 -7.168 1.00 0.00 H new ATOM 855 N SER A 62 -3.211 1.495 -8.253 1.00 0.00 N ATOM 856 CA SER A 62 -1.959 2.231 -8.385 1.00 0.00 C ATOM 857 C SER A 62 -2.127 3.677 -7.929 1.00 0.00 C ATOM 858 O SER A 62 -3.054 4.369 -8.351 1.00 0.00 O ATOM 859 CB SER A 62 -1.473 2.195 -9.836 1.00 0.00 C ATOM 860 OG SER A 62 -2.510 2.560 -10.730 1.00 0.00 O ATOM 0 H SER A 62 -4.015 2.072 -8.005 1.00 0.00 H new ATOM 0 HA SER A 62 -1.216 1.752 -7.748 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.629 2.874 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.115 1.194 -10.078 1.00 0.00 H new ATOM 0 HG SER A 62 -3.146 3.148 -10.271 1.00 0.00 H new ATOM 866 N TYR A 63 -1.224 4.127 -7.064 1.00 0.00 N ATOM 867 CA TYR A 63 -1.272 5.489 -6.548 1.00 0.00 C ATOM 868 C TYR A 63 0.129 6.082 -6.443 1.00 0.00 C ATOM 869 O TYR A 63 1.103 5.363 -6.222 1.00 0.00 O ATOM 870 CB TYR A 63 -1.953 5.513 -5.178 1.00 0.00 C ATOM 871 CG TYR A 63 -1.911 6.867 -4.506 1.00 0.00 C ATOM 872 CD1 TYR A 63 -2.419 7.995 -5.139 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.362 7.019 -3.238 1.00 0.00 C ATOM 874 CE1 TYR A 63 -2.383 9.234 -4.529 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.323 8.254 -2.620 1.00 0.00 C ATOM 876 CZ TYR A 63 -1.834 9.358 -3.269 1.00 0.00 C ATOM 877 OH TYR A 63 -1.795 10.590 -2.657 1.00 0.00 O ATOM 0 H TYR A 63 -0.450 3.568 -6.706 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.851 6.095 -7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.992 5.205 -5.293 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.473 4.780 -4.530 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.849 7.901 -6.125 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.959 6.157 -2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.782 10.100 -5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.895 8.354 -1.634 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.378 10.504 -1.774 1.00 0.00 H new ATOM 887 N GLU A 64 0.221 7.399 -6.604 1.00 0.00 N ATOM 888 CA GLU A 64 1.504 8.089 -6.527 1.00 0.00 C ATOM 889 C GLU A 64 1.572 8.973 -5.285 1.00 0.00 C ATOM 890 O GLU A 64 0.858 9.969 -5.180 1.00 0.00 O ATOM 891 CB GLU A 64 1.728 8.935 -7.782 1.00 0.00 C ATOM 892 CG GLU A 64 2.911 9.882 -7.675 1.00 0.00 C ATOM 893 CD GLU A 64 3.101 10.723 -8.920 1.00 0.00 C ATOM 894 OE1 GLU A 64 3.758 10.242 -9.867 1.00 0.00 O ATOM 895 OE2 GLU A 64 2.592 11.863 -8.951 1.00 0.00 O ATOM 0 H GLU A 64 -0.576 8.008 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 64 2.290 7.337 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.880 8.272 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.827 9.514 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.769 10.538 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.817 9.305 -7.489 1.00 0.00 H new ATOM 902 N ILE A 65 2.437 8.599 -4.348 1.00 0.00 N ATOM 903 CA ILE A 65 2.600 9.357 -3.114 1.00 0.00 C ATOM 904 C ILE A 65 3.726 10.377 -3.240 1.00 0.00 C ATOM 905 O ILE A 65 4.834 10.046 -3.665 1.00 0.00 O ATOM 906 CB ILE A 65 2.892 8.431 -1.918 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.622 7.690 -1.497 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.456 9.232 -0.753 1.00 0.00 C ATOM 909 CD1 ILE A 65 1.891 6.442 -0.685 1.00 0.00 C ATOM 0 H ILE A 65 3.035 7.776 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 65 1.659 9.878 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 65 3.636 7.694 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.994 8.364 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.057 7.419 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.657 8.564 0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.382 9.718 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.733 9.989 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.945 5.968 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.493 5.749 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.429 6.709 0.225 1.00 0.00 H new ATOM 921 N LYS A 66 3.437 11.619 -2.866 1.00 0.00 N ATOM 922 CA LYS A 66 4.426 12.689 -2.934 1.00 0.00 C ATOM 923 C LYS A 66 4.430 13.507 -1.647 1.00 0.00 C ATOM 924 O LYS A 66 3.588 13.312 -0.773 1.00 0.00 O ATOM 925 CB LYS A 66 4.140 13.599 -4.130 1.00 0.00 C ATOM 926 CG LYS A 66 4.466 12.964 -5.470 1.00 0.00 C ATOM 927 CD LYS A 66 4.301 13.954 -6.611 1.00 0.00 C ATOM 928 CE LYS A 66 2.837 14.292 -6.848 1.00 0.00 C ATOM 929 NZ LYS A 66 2.678 15.494 -7.714 1.00 0.00 N ATOM 0 H LYS A 66 2.525 11.910 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 66 5.409 12.235 -3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.087 13.881 -4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.717 14.518 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.490 12.590 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.815 12.106 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.854 14.866 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.731 13.537 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.338 13.441 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.345 14.466 -5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.666 15.691 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.132 16.312 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.125 15.319 -8.636 1.00 0.00 H new ATOM 943 N GLY A 67 5.385 14.426 -1.539 1.00 0.00 N ATOM 944 CA GLY A 67 5.480 15.261 -0.356 1.00 0.00 C ATOM 945 C GLY A 67 6.138 14.547 0.808 1.00 0.00 C ATOM 946 O GLY A 67 5.792 14.781 1.966 1.00 0.00 O ATOM 0 H GLY A 67 6.094 14.607 -2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.048 16.160 -0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.481 15.584 -0.062 1.00 0.00 H new ATOM 950 N LEU A 68 7.088 13.671 0.500 1.00 0.00 N ATOM 951 CA LEU A 68 7.796 12.918 1.530 1.00 0.00 C ATOM 952 C LEU A 68 9.101 13.610 1.910 1.00 0.00 C ATOM 953 O LEU A 68 9.411 14.690 1.409 1.00 0.00 O ATOM 954 CB LEU A 68 8.083 11.496 1.043 1.00 0.00 C ATOM 955 CG LEU A 68 6.893 10.736 0.454 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.369 9.515 -0.317 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.924 10.329 1.554 1.00 0.00 C ATOM 0 H LEU A 68 7.386 13.465 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 68 7.160 12.872 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.868 11.543 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.479 10.920 1.879 1.00 0.00 H new ATOM 0 HG LEU A 68 6.370 11.397 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.509 8.987 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.024 9.830 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.915 8.852 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.084 9.790 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.436 9.686 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.558 11.220 2.064 1.00 0.00 H new ATOM 969 N SER A 69 9.863 12.978 2.798 1.00 0.00 N ATOM 970 CA SER A 69 11.134 13.533 3.248 1.00 0.00 C ATOM 971 C SER A 69 12.284 12.580 2.936 1.00 0.00 C ATOM 972 O SER A 69 12.156 11.360 3.035 1.00 0.00 O ATOM 973 CB SER A 69 11.087 13.820 4.750 1.00 0.00 C ATOM 974 OG SER A 69 12.114 14.720 5.130 1.00 0.00 O ATOM 0 H SER A 69 9.622 12.081 3.220 1.00 0.00 H new ATOM 0 HA SER A 69 11.304 14.467 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.116 14.239 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.192 12.888 5.305 1.00 0.00 H new ATOM 0 HG SER A 69 11.917 15.611 4.772 1.00 0.00 H new ATOM 980 N PRO A 70 13.434 13.150 2.548 1.00 0.00 N ATOM 981 CA PRO A 70 14.630 12.371 2.213 1.00 0.00 C ATOM 982 C PRO A 70 15.255 11.713 3.438 1.00 0.00 C ATOM 983 O PRO A 70 14.997 12.119 4.572 1.00 0.00 O ATOM 984 CB PRO A 70 15.581 13.416 1.624 1.00 0.00 C ATOM 985 CG PRO A 70 15.146 14.706 2.226 1.00 0.00 C ATOM 986 CD PRO A 70 13.657 14.598 2.406 1.00 0.00 C ATOM 0 HA PRO A 70 14.404 11.549 1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.618 13.193 1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.514 13.444 0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.643 14.878 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.401 15.545 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.318 15.145 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.118 15.005 1.550 1.00 0.00 H new ATOM 994 N ALA A 71 16.078 10.697 3.205 1.00 0.00 N ATOM 995 CA ALA A 71 16.742 9.985 4.289 1.00 0.00 C ATOM 996 C ALA A 71 15.777 9.713 5.438 1.00 0.00 C ATOM 997 O ALA A 71 16.041 10.078 6.584 1.00 0.00 O ATOM 998 CB ALA A 71 17.944 10.776 4.782 1.00 0.00 C ATOM 0 H ALA A 71 16.301 10.348 2.273 1.00 0.00 H new ATOM 0 HA ALA A 71 17.087 9.025 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.430 10.232 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.650 10.914 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.615 11.750 5.145 1.00 0.00 H new ATOM 1004 N THR A 72 14.656 9.070 5.125 1.00 0.00 N ATOM 1005 CA THR A 72 13.651 8.751 6.131 1.00 0.00 C ATOM 1006 C THR A 72 12.977 7.417 5.832 1.00 0.00 C ATOM 1007 O THR A 72 12.663 7.112 4.681 1.00 0.00 O ATOM 1008 CB THR A 72 12.574 9.850 6.216 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.186 11.115 6.487 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.559 9.529 7.303 1.00 0.00 C ATOM 0 H THR A 72 14.422 8.760 4.182 1.00 0.00 H new ATOM 0 HA THR A 72 14.170 8.686 7.087 1.00 0.00 H new ATOM 0 HB THR A 72 12.056 9.895 5.258 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.715 11.395 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.809 10.318 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.074 8.579 7.079 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.066 9.459 8.265 1.00 0.00 H new ATOM 1018 N THR A 73 12.757 6.623 6.875 1.00 0.00 N ATOM 1019 CA THR A 73 12.120 5.321 6.724 1.00 0.00 C ATOM 1020 C THR A 73 10.612 5.462 6.560 1.00 0.00 C ATOM 1021 O THR A 73 9.980 6.285 7.223 1.00 0.00 O ATOM 1022 CB THR A 73 12.411 4.410 7.932 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.797 4.496 8.287 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.052 2.965 7.619 1.00 0.00 C ATOM 0 H THR A 73 13.011 6.859 7.834 1.00 0.00 H new ATOM 0 HA THR A 73 12.539 4.867 5.826 1.00 0.00 H new ATOM 0 HB THR A 73 11.799 4.747 8.769 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.974 3.916 9.057 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.266 2.341 8.487 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.991 2.898 7.377 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.641 2.620 6.769 1.00 0.00 H new ATOM 1032 N TYR A 74 10.040 4.654 5.674 1.00 0.00 N ATOM 1033 CA TYR A 74 8.604 4.690 5.422 1.00 0.00 C ATOM 1034 C TYR A 74 8.035 3.279 5.312 1.00 0.00 C ATOM 1035 O TYR A 74 8.770 2.315 5.096 1.00 0.00 O ATOM 1036 CB TYR A 74 8.310 5.472 4.141 1.00 0.00 C ATOM 1037 CG TYR A 74 8.462 6.968 4.298 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.441 7.737 4.844 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.626 7.613 3.897 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.577 9.105 4.988 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.770 8.979 4.038 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.743 9.721 4.584 1.00 0.00 C ATOM 1043 OH TYR A 74 8.882 11.083 4.725 1.00 0.00 O ATOM 0 H TYR A 74 10.549 3.966 5.118 1.00 0.00 H new ATOM 0 HA TYR A 74 8.125 5.191 6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.980 5.128 3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.294 5.250 3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.526 7.258 5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.432 7.036 3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.774 9.688 5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.682 9.464 3.722 1.00 0.00 H new ATOM 0 HH TYR A 74 9.733 11.281 5.170 1.00 0.00 H new ATOM 1053 N TYR A 75 6.720 3.165 5.463 1.00 0.00 N ATOM 1054 CA TYR A 75 6.050 1.872 5.382 1.00 0.00 C ATOM 1055 C TYR A 75 4.699 2.002 4.687 1.00 0.00 C ATOM 1056 O TYR A 75 4.141 3.095 4.590 1.00 0.00 O ATOM 1057 CB TYR A 75 5.862 1.284 6.782 1.00 0.00 C ATOM 1058 CG TYR A 75 7.130 1.270 7.607 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.606 2.431 8.202 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.850 0.096 7.793 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.764 2.424 8.956 1.00 0.00 C ATOM 1062 CE2 TYR A 75 9.006 0.079 8.547 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.460 1.246 9.127 1.00 0.00 C ATOM 1064 OH TYR A 75 10.612 1.234 9.878 1.00 0.00 O ATOM 0 H TYR A 75 6.097 3.952 5.642 1.00 0.00 H new ATOM 0 HA TYR A 75 6.677 1.201 4.794 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.101 1.859 7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.486 0.265 6.692 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.062 3.355 8.073 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.499 -0.819 7.340 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.122 3.337 9.409 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.552 -0.843 8.682 1.00 0.00 H new ATOM 0 HH TYR A 75 10.979 0.325 9.900 1.00 0.00 H new ATOM 1074 N CYS A 76 4.178 0.878 4.207 1.00 0.00 N ATOM 1075 CA CYS A 76 2.891 0.863 3.521 1.00 0.00 C ATOM 1076 C CYS A 76 2.294 -0.540 3.515 1.00 0.00 C ATOM 1077 O CYS A 76 3.014 -1.531 3.399 1.00 0.00 O ATOM 1078 CB CYS A 76 3.048 1.370 2.087 1.00 0.00 C ATOM 1079 SG CYS A 76 4.006 0.272 1.017 1.00 0.00 S ATOM 0 H CYS A 76 4.627 -0.035 4.280 1.00 0.00 H new ATOM 0 HA CYS A 76 2.212 1.524 4.060 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.058 1.511 1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.528 2.348 2.109 1.00 0.00 H new ATOM 0 HG CYS A 76 3.999 -0.930 1.512 1.00 0.00 H new ATOM 1085 N ARG A 77 0.973 -0.616 3.641 1.00 0.00 N ATOM 1086 CA ARG A 77 0.279 -1.898 3.653 1.00 0.00 C ATOM 1087 C ARG A 77 -1.066 -1.795 2.939 1.00 0.00 C ATOM 1088 O ARG A 77 -1.855 -0.890 3.208 1.00 0.00 O ATOM 1089 CB ARG A 77 0.071 -2.377 5.090 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.724 -1.405 5.947 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.780 -1.857 7.398 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.417 -0.863 8.257 1.00 0.00 N ATOM 1093 CZ ARG A 77 -1.673 -1.061 9.545 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -1.349 -2.210 10.120 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -2.256 -0.108 10.261 1.00 0.00 N ATOM 0 H ARG A 77 0.362 0.195 3.736 1.00 0.00 H new ATOM 0 HA ARG A 77 0.898 -2.622 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.443 -3.338 5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.044 -2.544 5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.272 -0.415 5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.737 -1.316 5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.328 -2.797 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.231 -2.051 7.756 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.680 0.032 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.902 -2.946 9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.547 -2.359 11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.508 0.778 9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.452 -0.261 11.250 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.320 -2.729 2.029 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.569 -2.745 1.277 1.00 0.00 C ATOM 1111 C VAL A 78 -3.473 -3.885 1.734 1.00 0.00 C ATOM 1112 O VAL A 78 -3.010 -5.000 1.963 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.313 -2.882 -0.235 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.588 -4.186 -0.538 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.621 -2.799 -1.008 1.00 0.00 C ATOM 0 H VAL A 78 -0.677 -3.485 1.794 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.065 -1.793 1.469 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.677 -2.056 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.416 -4.266 -1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.632 -4.201 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.197 -5.027 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.420 -2.898 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.284 -3.602 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.097 -1.837 -0.816 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.762 -3.593 1.865 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.732 -4.595 2.296 1.00 0.00 C ATOM 1127 C GLN A 79 -6.876 -4.711 1.295 1.00 0.00 C ATOM 1128 O GLN A 79 -7.172 -3.767 0.563 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.281 -4.242 3.678 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.173 -3.011 3.682 1.00 0.00 C ATOM 1131 CD GLN A 79 -8.210 -3.045 4.787 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -9.193 -3.927 4.651 1.00 0.00 O flip ATOM 1133 NE2 GLN A 79 -8.128 -2.288 5.755 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.160 -2.672 1.679 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.223 -5.557 2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.846 -5.091 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.447 -4.078 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.556 -2.120 3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.677 -2.929 2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.356 -1.625 5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.832 -2.324 6.492 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.517 -5.875 1.267 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.630 -6.114 0.358 1.00 0.00 C ATOM 1144 C ALA A 80 -9.959 -6.107 1.104 1.00 0.00 C ATOM 1145 O ALA A 80 -10.163 -6.884 2.039 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.440 -7.434 -0.374 1.00 0.00 C ATOM 0 H ALA A 80 -7.284 -6.668 1.865 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.650 -5.306 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.279 -7.599 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.513 -7.402 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.391 -8.248 0.350 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.863 -5.227 0.687 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.174 -5.119 1.316 1.00 0.00 C ATOM 1154 C LEU A 81 -13.208 -5.955 0.568 1.00 0.00 C ATOM 1155 O LEU A 81 -13.294 -5.901 -0.658 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.621 -3.656 1.363 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.801 -2.733 2.265 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.654 -2.107 1.487 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.688 -1.655 2.872 1.00 0.00 C ATOM 0 H LEU A 81 -10.711 -4.578 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.093 -5.500 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.596 -3.256 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.660 -3.625 1.693 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.380 -3.328 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.082 -1.453 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.004 -2.893 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.053 -1.526 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.088 -1.007 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.138 -1.063 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.474 -2.122 3.465 1.00 0.00 H new ATOM 1171 N SER A 82 -13.992 -6.724 1.316 1.00 0.00 N ATOM 1172 CA SER A 82 -15.020 -7.572 0.724 1.00 0.00 C ATOM 1173 C SER A 82 -16.397 -7.228 1.282 1.00 0.00 C ATOM 1174 O SER A 82 -16.549 -6.276 2.047 1.00 0.00 O ATOM 1175 CB SER A 82 -14.706 -9.047 0.983 1.00 0.00 C ATOM 1176 OG SER A 82 -14.737 -9.339 2.369 1.00 0.00 O ATOM 0 H SER A 82 -13.935 -6.777 2.333 1.00 0.00 H new ATOM 0 HA SER A 82 -15.028 -7.393 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.429 -9.673 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.723 -9.289 0.579 1.00 0.00 H new ATOM 0 HG SER A 82 -14.017 -8.853 2.822 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.399 -8.011 0.893 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.764 -7.791 1.355 1.00 0.00 C ATOM 1184 C VAL A 83 -19.038 -8.555 2.645 1.00 0.00 C ATOM 1185 O VAL A 83 -19.975 -8.240 3.379 1.00 0.00 O ATOM 1186 CB VAL A 83 -19.793 -8.218 0.291 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.664 -7.351 -0.953 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.621 -9.690 -0.055 1.00 0.00 C ATOM 0 H VAL A 83 -17.291 -8.803 0.259 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.866 -6.722 1.540 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.794 -8.079 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.398 -7.667 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.840 -6.308 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.662 -7.457 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.356 -9.975 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.617 -9.857 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.767 -10.294 0.841 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.213 -9.562 2.917 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.365 -10.372 4.120 1.00 0.00 C ATOM 1200 C VAL A 84 -17.444 -9.881 5.231 1.00 0.00 C ATOM 1201 O VAL A 84 -17.512 -10.359 6.363 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.067 -11.856 3.839 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -16.578 -12.136 3.973 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -18.872 -12.747 4.773 1.00 0.00 C ATOM 0 H VAL A 84 -17.433 -9.836 2.320 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.402 -10.273 4.440 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.364 -12.081 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.386 -13.190 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.027 -11.524 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.252 -11.896 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -18.649 -13.793 4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.609 -12.523 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -19.936 -12.565 4.622 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.585 -8.922 4.902 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.662 -8.382 5.883 1.00 0.00 C ATOM 1216 C GLY A 85 -14.268 -8.187 5.323 1.00 0.00 C ATOM 1217 O GLY A 85 -13.756 -9.044 4.604 1.00 0.00 O ATOM 0 H GLY A 85 -16.512 -8.509 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.041 -7.427 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.615 -9.053 6.741 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.652 -7.056 5.651 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.309 -6.752 5.176 1.00 0.00 C ATOM 1223 C ALA A 86 -11.346 -7.893 5.485 1.00 0.00 C ATOM 1224 O ALA A 86 -11.626 -8.743 6.329 1.00 0.00 O ATOM 1225 CB ALA A 86 -11.810 -5.455 5.797 1.00 0.00 C ATOM 0 H ALA A 86 -14.063 -6.335 6.244 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.352 -6.631 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.805 -5.240 5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.478 -4.639 5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.789 -5.556 6.882 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.209 -7.905 4.795 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.222 -8.948 5.009 1.00 0.00 C ATOM 1233 C GLY A 87 -7.996 -8.443 5.743 1.00 0.00 C ATOM 1234 O GLY A 87 -7.924 -7.284 6.152 1.00 0.00 O ATOM 0 H GLY A 87 -9.954 -7.211 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.674 -9.760 5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.921 -9.362 4.047 1.00 0.00 H new ATOM 1238 N PRO A 88 -7.002 -9.327 5.920 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.755 -8.987 6.612 1.00 0.00 C ATOM 1240 C PRO A 88 -4.889 -8.025 5.806 1.00 0.00 C ATOM 1241 O PRO A 88 -5.207 -7.696 4.663 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.054 -10.339 6.764 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.598 -11.174 5.657 1.00 0.00 C ATOM 1244 CD PRO A 88 -7.019 -10.725 5.459 1.00 0.00 C ATOM 0 HA PRO A 88 -5.939 -8.478 7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.972 -10.235 6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.262 -10.786 7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.016 -11.040 4.745 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.555 -12.233 5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.322 -10.800 4.415 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.716 -11.331 6.038 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.791 -7.579 6.407 1.00 0.00 N ATOM 1253 CA PHE A 89 -2.879 -6.654 5.745 1.00 0.00 C ATOM 1254 C PHE A 89 -1.635 -7.383 5.245 1.00 0.00 C ATOM 1255 O PHE A 89 -1.066 -8.218 5.948 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.474 -5.530 6.701 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.458 -4.396 6.743 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.359 -3.342 5.848 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.482 -4.383 7.676 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.262 -2.297 5.885 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.389 -3.341 7.717 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.279 -2.296 6.819 1.00 0.00 C ATOM 0 H PHE A 89 -3.511 -7.843 7.352 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.397 -6.223 4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.361 -5.940 7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.499 -5.144 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.567 -3.338 5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.573 -5.197 8.380 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.172 -1.481 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.183 -3.343 8.450 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.987 -1.481 6.848 1.00 0.00 H new ATOM 1272 N SER A 90 -1.219 -7.061 4.023 1.00 0.00 N ATOM 1273 CA SER A 90 -0.046 -7.688 3.426 1.00 0.00 C ATOM 1274 C SER A 90 1.186 -7.485 4.304 1.00 0.00 C ATOM 1275 O SER A 90 1.100 -6.903 5.384 1.00 0.00 O ATOM 1276 CB SER A 90 0.209 -7.115 2.030 1.00 0.00 C ATOM 1277 OG SER A 90 0.412 -5.713 2.083 1.00 0.00 O ATOM 0 H SER A 90 -1.677 -6.370 3.428 1.00 0.00 H new ATOM 0 HA SER A 90 -0.239 -8.758 3.343 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.083 -7.596 1.590 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.638 -7.339 1.381 1.00 0.00 H new ATOM 0 HG SER A 90 1.366 -5.525 2.207 1.00 0.00 H new ATOM 1283 N GLU A 91 2.329 -7.970 3.830 1.00 0.00 N ATOM 1284 CA GLU A 91 3.577 -7.843 4.572 1.00 0.00 C ATOM 1285 C GLU A 91 4.136 -6.427 4.458 1.00 0.00 C ATOM 1286 O GLU A 91 4.482 -5.969 3.368 1.00 0.00 O ATOM 1287 CB GLU A 91 4.607 -8.851 4.060 1.00 0.00 C ATOM 1288 CG GLU A 91 4.516 -10.210 4.734 1.00 0.00 C ATOM 1289 CD GLU A 91 4.750 -10.135 6.231 1.00 0.00 C ATOM 1290 OE1 GLU A 91 5.867 -9.752 6.637 1.00 0.00 O ATOM 1291 OE2 GLU A 91 3.818 -10.459 6.995 1.00 0.00 O ATOM 0 H GLU A 91 2.416 -8.454 2.936 1.00 0.00 H new ATOM 0 HA GLU A 91 3.368 -8.050 5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.475 -8.978 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.607 -8.445 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.533 -10.640 4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.249 -10.882 4.289 1.00 0.00 H new ATOM 1298 N VAL A 92 4.221 -5.737 5.591 1.00 0.00 N ATOM 1299 CA VAL A 92 4.738 -4.374 5.620 1.00 0.00 C ATOM 1300 C VAL A 92 5.971 -4.235 4.734 1.00 0.00 C ATOM 1301 O VAL A 92 6.921 -5.010 4.847 1.00 0.00 O ATOM 1302 CB VAL A 92 5.098 -3.940 7.053 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.748 -2.564 7.048 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.861 -3.951 7.938 1.00 0.00 C ATOM 0 H VAL A 92 3.938 -6.100 6.501 1.00 0.00 H new ATOM 0 HA VAL A 92 3.947 -3.728 5.241 1.00 0.00 H new ATOM 0 HB VAL A 92 5.816 -4.652 7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.995 -2.275 8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.658 -2.594 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.057 -1.837 6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.133 -3.642 8.947 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.119 -3.262 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.443 -4.957 7.967 1.00 0.00 H new ATOM 1314 N VAL A 93 5.950 -3.241 3.851 1.00 0.00 N ATOM 1315 CA VAL A 93 7.067 -3.000 2.945 1.00 0.00 C ATOM 1316 C VAL A 93 7.822 -1.733 3.332 1.00 0.00 C ATOM 1317 O VAL A 93 7.363 -0.620 3.074 1.00 0.00 O ATOM 1318 CB VAL A 93 6.590 -2.874 1.486 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.778 -2.834 0.537 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.654 -4.021 1.133 1.00 0.00 C ATOM 0 H VAL A 93 5.172 -2.590 3.744 1.00 0.00 H new ATOM 0 HA VAL A 93 7.734 -3.858 3.028 1.00 0.00 H new ATOM 0 HB VAL A 93 6.040 -1.939 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.421 -2.745 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.408 -1.977 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.358 -3.751 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.326 -3.918 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.178 -4.969 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.787 -3.999 1.793 1.00 0.00 H new ATOM 1330 N ALA A 94 8.985 -1.908 3.951 1.00 0.00 N ATOM 1331 CA ALA A 94 9.805 -0.780 4.370 1.00 0.00 C ATOM 1332 C ALA A 94 10.548 -0.171 3.186 1.00 0.00 C ATOM 1333 O ALA A 94 10.916 -0.874 2.244 1.00 0.00 O ATOM 1334 CB ALA A 94 10.791 -1.214 5.446 1.00 0.00 C ATOM 0 H ALA A 94 9.380 -2.822 4.173 1.00 0.00 H new ATOM 0 HA ALA A 94 9.145 -0.017 4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.397 -0.361 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.244 -1.596 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.439 -1.997 5.052 1.00 0.00 H new ATOM 1340 N CYS A 95 10.765 1.138 3.240 1.00 0.00 N ATOM 1341 CA CYS A 95 11.463 1.842 2.170 1.00 0.00 C ATOM 1342 C CYS A 95 12.038 3.163 2.672 1.00 0.00 C ATOM 1343 O CYS A 95 11.328 3.977 3.260 1.00 0.00 O ATOM 1344 CB CYS A 95 10.516 2.098 0.997 1.00 0.00 C ATOM 1345 SG CYS A 95 9.169 3.244 1.372 1.00 0.00 S ATOM 0 H CYS A 95 10.468 1.733 4.013 1.00 0.00 H new ATOM 0 HA CYS A 95 12.287 1.213 1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.091 2.492 0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.091 1.148 0.673 1.00 0.00 H new ATOM 0 HG CYS A 95 8.552 3.563 0.273 1.00 0.00 H new ATOM 1351 N VAL A 96 13.330 3.367 2.437 1.00 0.00 N ATOM 1352 CA VAL A 96 14.001 4.588 2.866 1.00 0.00 C ATOM 1353 C VAL A 96 14.354 5.469 1.674 1.00 0.00 C ATOM 1354 O VAL A 96 15.104 5.062 0.786 1.00 0.00 O ATOM 1355 CB VAL A 96 15.286 4.274 3.657 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.913 5.555 4.188 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.990 3.306 4.792 1.00 0.00 C ATOM 0 H VAL A 96 13.933 2.702 1.952 1.00 0.00 H new ATOM 0 HA VAL A 96 13.305 5.121 3.514 1.00 0.00 H new ATOM 0 HB VAL A 96 16.000 3.800 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.819 5.313 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.163 6.211 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.207 6.060 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.909 3.096 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.259 3.750 5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.590 2.378 4.384 1.00 0.00 H new ATOM 1367 N THR A 97 13.809 6.682 1.659 1.00 0.00 N ATOM 1368 CA THR A 97 14.065 7.622 0.576 1.00 0.00 C ATOM 1369 C THR A 97 15.502 8.129 0.616 1.00 0.00 C ATOM 1370 O THR A 97 16.115 8.246 1.677 1.00 0.00 O ATOM 1371 CB THR A 97 13.106 8.825 0.637 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.312 9.555 1.853 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.657 8.367 0.555 1.00 0.00 C ATOM 0 H THR A 97 13.187 7.036 2.386 1.00 0.00 H new ATOM 0 HA THR A 97 13.899 7.082 -0.356 1.00 0.00 H new ATOM 0 HB THR A 97 13.315 9.472 -0.215 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.634 10.258 1.931 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.998 9.234 0.600 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.496 7.837 -0.384 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.438 7.701 1.390 1.00 0.00 H new ATOM 1381 N PRO A 98 16.054 8.440 -0.566 1.00 0.00 N ATOM 1382 CA PRO A 98 17.426 8.941 -0.692 1.00 0.00 C ATOM 1383 C PRO A 98 17.580 10.354 -0.139 1.00 0.00 C ATOM 1384 O PRO A 98 16.644 11.154 -0.145 1.00 0.00 O ATOM 1385 CB PRO A 98 17.670 8.929 -2.203 1.00 0.00 C ATOM 1386 CG PRO A 98 16.314 9.043 -2.808 1.00 0.00 C ATOM 1387 CD PRO A 98 15.382 8.326 -1.872 1.00 0.00 C ATOM 0 HA PRO A 98 18.135 8.336 -0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.310 9.757 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 98 18.167 8.011 -2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.024 10.088 -2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.291 8.595 -3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.394 8.787 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.243 7.285 -2.163 1.00 0.00 H new ATOM 1395 N PRO A 99 18.787 10.671 0.350 1.00 0.00 N ATOM 1396 CA PRO A 99 19.092 11.989 0.916 1.00 0.00 C ATOM 1397 C PRO A 99 19.128 13.081 -0.148 1.00 0.00 C ATOM 1398 O PRO A 99 19.677 12.888 -1.232 1.00 0.00 O ATOM 1399 CB PRO A 99 20.480 11.798 1.533 1.00 0.00 C ATOM 1400 CG PRO A 99 21.087 10.677 0.761 1.00 0.00 C ATOM 1401 CD PRO A 99 19.949 9.767 0.389 1.00 0.00 C ATOM 0 HA PRO A 99 18.334 12.312 1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.078 12.705 1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.412 11.557 2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.598 11.047 -0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.830 10.149 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.117 9.287 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.815 8.971 1.122 1.00 0.00 H new ATOM 1409 N SER A 100 18.539 14.229 0.170 1.00 0.00 N ATOM 1410 CA SER A 100 18.501 15.353 -0.760 1.00 0.00 C ATOM 1411 C SER A 100 19.383 16.496 -0.266 1.00 0.00 C ATOM 1412 O SER A 100 18.993 17.258 0.618 1.00 0.00 O ATOM 1413 CB SER A 100 17.064 15.844 -0.941 1.00 0.00 C ATOM 1414 OG SER A 100 17.028 17.054 -1.675 1.00 0.00 O ATOM 0 H SER A 100 18.081 14.406 1.064 1.00 0.00 H new ATOM 0 HA SER A 100 18.884 15.011 -1.721 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.479 15.084 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.602 15.993 0.035 1.00 0.00 H new ATOM 0 HG SER A 100 16.098 17.346 -1.778 1.00 0.00 H new