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 27 ASN : amide:sc= -0.504 X(o=-0.49,f=-0.43) USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0.0178 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -0.359 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.903 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.355 K(o=-0.36,f=-3.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 170:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0716 K(o=-0.072,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 70:sc= -0.686 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 163:sc= -1.91 (180deg=-2.48) USER MOD Single : A 53 GLN : amide:sc= -2.07 X(o=-2.1,f=-2!) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.438 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 5:sc= 0.855 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 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 65:sc= 0.0503 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0.196 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 19:sc= 0.285 USER MOD Single : A 79 GLN :FLIP amide:sc= -2.11! C(o=-4.8!,f=-2.1!) USER MOD Single : A 82 SER OG : rot -130:sc= -0.654 USER MOD Single : A 90 SER OG : rot 160:sc= 0.0114 USER MOD Single : A 95 CYS SG : rot 36:sc= -0.953 USER MOD Single : A 97 THR OG1 : rot -149:sc= -0.2 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -11.326 -12.539 1.661 1.00 0.00 N ATOM 67 CA PRO A 8 -10.445 -13.164 0.670 1.00 0.00 C ATOM 68 C PRO A 8 -9.134 -13.647 1.282 1.00 0.00 C ATOM 69 O PRO A 8 -8.978 -13.665 2.503 1.00 0.00 O ATOM 70 CB PRO A 8 -10.183 -12.036 -0.332 1.00 0.00 C ATOM 71 CG PRO A 8 -10.376 -10.782 0.450 1.00 0.00 C ATOM 72 CD PRO A 8 -11.448 -11.086 1.460 1.00 0.00 C ATOM 0 HA PRO A 8 -10.896 -14.052 0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.174 -12.096 -0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.872 -12.087 -1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.450 -10.482 0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.674 -9.959 -0.199 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.292 -10.537 2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.437 -10.813 1.091 1.00 0.00 H new ATOM 80 N ASP A 9 -8.196 -14.039 0.427 1.00 0.00 N ATOM 81 CA ASP A 9 -6.898 -14.521 0.884 1.00 0.00 C ATOM 82 C ASP A 9 -5.933 -13.361 1.103 1.00 0.00 C ATOM 83 O ASP A 9 -6.101 -12.285 0.528 1.00 0.00 O ATOM 84 CB ASP A 9 -6.310 -15.505 -0.128 1.00 0.00 C ATOM 85 CG ASP A 9 -6.774 -16.928 0.111 1.00 0.00 C ATOM 86 OD1 ASP A 9 -6.270 -17.565 1.059 1.00 0.00 O ATOM 87 OD2 ASP A 9 -7.641 -17.406 -0.651 1.00 0.00 O ATOM 0 H ASP A 9 -8.310 -14.032 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.044 -15.033 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.593 -15.198 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.222 -15.467 -0.077 1.00 0.00 H new ATOM 92 N GLN A 10 -4.925 -13.586 1.939 1.00 0.00 N ATOM 93 CA GLN A 10 -3.934 -12.556 2.235 1.00 0.00 C ATOM 94 C GLN A 10 -3.470 -11.864 0.958 1.00 0.00 C ATOM 95 O GLN A 10 -3.322 -12.501 -0.086 1.00 0.00 O ATOM 96 CB GLN A 10 -2.736 -13.167 2.964 1.00 0.00 C ATOM 97 CG GLN A 10 -1.868 -12.141 3.674 1.00 0.00 C ATOM 98 CD GLN A 10 -0.462 -12.645 3.932 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.268 -13.761 4.413 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.531 -11.822 3.613 1.00 0.00 N ATOM 0 H GLN A 10 -4.772 -14.471 2.423 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.401 -11.811 2.880 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.096 -13.893 3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.124 -13.713 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.820 -11.233 3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.333 -11.871 4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.326 -10.905 3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.498 -12.107 3.765 1.00 0.00 H new ATOM 109 N CYS A 11 -3.240 -10.559 1.049 1.00 0.00 N ATOM 110 CA CYS A 11 -2.793 -9.780 -0.101 1.00 0.00 C ATOM 111 C CYS A 11 -1.273 -9.657 -0.115 1.00 0.00 C ATOM 112 O CYS A 11 -0.636 -9.575 0.934 1.00 0.00 O ATOM 113 CB CYS A 11 -3.430 -8.391 -0.080 1.00 0.00 C ATOM 114 SG CYS A 11 -5.060 -8.312 -0.861 1.00 0.00 S ATOM 0 H CYS A 11 -3.355 -10.018 1.906 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.105 -10.300 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.519 -8.060 0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.764 -7.690 -0.583 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.517 -7.097 -0.791 1.00 0.00 H new ATOM 120 N LYS A 12 -0.697 -9.643 -1.313 1.00 0.00 N ATOM 121 CA LYS A 12 0.748 -9.530 -1.466 1.00 0.00 C ATOM 122 C LYS A 12 1.199 -8.081 -1.316 1.00 0.00 C ATOM 123 O LYS A 12 0.449 -7.142 -1.580 1.00 0.00 O ATOM 124 CB LYS A 12 1.181 -10.072 -2.830 1.00 0.00 C ATOM 125 CG LYS A 12 1.311 -11.585 -2.871 1.00 0.00 C ATOM 126 CD LYS A 12 2.658 -12.043 -2.337 1.00 0.00 C ATOM 127 CE LYS A 12 3.003 -13.442 -2.824 1.00 0.00 C ATOM 128 NZ LYS A 12 2.293 -14.493 -2.045 1.00 0.00 N ATOM 0 H LYS A 12 -1.210 -9.709 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 12 1.219 -10.122 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.458 -9.758 -3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.138 -9.626 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.512 -12.036 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.187 -11.934 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.433 -11.345 -2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.643 -12.029 -1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.742 -13.534 -3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.079 -13.598 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.556 -15.431 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.561 -14.423 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.266 -14.360 -2.139 1.00 0.00 H new ATOM 142 N PRO A 13 2.455 -7.893 -0.883 1.00 0.00 N ATOM 143 CA PRO A 13 3.035 -6.560 -0.691 1.00 0.00 C ATOM 144 C PRO A 13 3.277 -5.837 -2.011 1.00 0.00 C ATOM 145 O PRO A 13 3.790 -6.408 -2.974 1.00 0.00 O ATOM 146 CB PRO A 13 4.363 -6.849 0.012 1.00 0.00 C ATOM 147 CG PRO A 13 4.713 -8.238 -0.396 1.00 0.00 C ATOM 148 CD PRO A 13 3.406 -8.966 -0.549 1.00 0.00 C ATOM 0 HA PRO A 13 2.372 -5.905 -0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.134 -6.141 -0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.264 -6.767 1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.273 -8.241 -1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.342 -8.718 0.354 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.455 -9.719 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.124 -9.482 0.369 1.00 0.00 H new ATOM 156 N PRO A 14 2.900 -4.551 -2.061 1.00 0.00 N ATOM 157 CA PRO A 14 3.067 -3.721 -3.258 1.00 0.00 C ATOM 158 C PRO A 14 4.532 -3.405 -3.544 1.00 0.00 C ATOM 159 O PRO A 14 5.409 -3.705 -2.735 1.00 0.00 O ATOM 160 CB PRO A 14 2.301 -2.442 -2.913 1.00 0.00 C ATOM 161 CG PRO A 14 2.318 -2.380 -1.426 1.00 0.00 C ATOM 162 CD PRO A 14 2.281 -3.806 -0.951 1.00 0.00 C ATOM 0 HA PRO A 14 2.704 -4.222 -4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.777 -1.565 -3.351 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.281 -2.476 -3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.213 -1.872 -1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.462 -1.821 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.836 -3.935 -0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.261 -4.140 -0.762 1.00 0.00 H new ATOM 170 N GLN A 15 4.787 -2.799 -4.698 1.00 0.00 N ATOM 171 CA GLN A 15 6.146 -2.443 -5.090 1.00 0.00 C ATOM 172 C GLN A 15 6.357 -0.934 -5.010 1.00 0.00 C ATOM 173 O GLN A 15 5.711 -0.168 -5.725 1.00 0.00 O ATOM 174 CB GLN A 15 6.436 -2.935 -6.508 1.00 0.00 C ATOM 175 CG GLN A 15 7.781 -2.478 -7.047 1.00 0.00 C ATOM 176 CD GLN A 15 8.944 -3.222 -6.421 1.00 0.00 C ATOM 177 OE1 GLN A 15 9.033 -3.343 -5.199 1.00 0.00 O ATOM 178 NE2 GLN A 15 9.845 -3.726 -7.258 1.00 0.00 N ATOM 0 H GLN A 15 4.071 -2.544 -5.378 1.00 0.00 H new ATOM 0 HA GLN A 15 6.835 -2.926 -4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.400 -4.024 -6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.648 -2.583 -7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.803 -2.621 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.897 -1.410 -6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.732 -3.602 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.650 -4.237 -6.894 1.00 0.00 H new ATOM 187 N VAL A 16 7.265 -0.514 -4.135 1.00 0.00 N ATOM 188 CA VAL A 16 7.563 0.902 -3.961 1.00 0.00 C ATOM 189 C VAL A 16 8.735 1.329 -4.838 1.00 0.00 C ATOM 190 O VAL A 16 9.808 0.728 -4.795 1.00 0.00 O ATOM 191 CB VAL A 16 7.888 1.232 -2.492 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.609 1.388 -1.684 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.780 0.157 -1.891 1.00 0.00 C ATOM 0 H VAL A 16 7.807 -1.135 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 16 6.670 1.452 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 16 8.426 2.179 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.859 1.621 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.010 2.196 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.040 0.459 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.000 0.405 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.269 -0.805 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.711 0.099 -2.455 1.00 0.00 H new ATOM 203 N THR A 17 8.522 2.373 -5.634 1.00 0.00 N ATOM 204 CA THR A 17 9.560 2.881 -6.522 1.00 0.00 C ATOM 205 C THR A 17 9.860 4.347 -6.234 1.00 0.00 C ATOM 206 O THR A 17 9.285 5.242 -6.856 1.00 0.00 O ATOM 207 CB THR A 17 9.157 2.731 -8.001 1.00 0.00 C ATOM 208 OG1 THR A 17 8.929 1.352 -8.310 1.00 0.00 O ATOM 209 CG2 THR A 17 10.235 3.289 -8.915 1.00 0.00 C ATOM 0 H THR A 17 7.640 2.883 -5.681 1.00 0.00 H new ATOM 0 HA THR A 17 10.455 2.287 -6.336 1.00 0.00 H new ATOM 0 HB THR A 17 8.239 3.295 -8.163 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.672 1.266 -9.252 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.928 3.172 -9.954 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.384 4.347 -8.698 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.168 2.749 -8.749 1.00 0.00 H new ATOM 217 N CYS A 18 10.763 4.587 -5.291 1.00 0.00 N ATOM 218 CA CYS A 18 11.140 5.947 -4.921 1.00 0.00 C ATOM 219 C CYS A 18 11.572 6.744 -6.148 1.00 0.00 C ATOM 220 O CYS A 18 12.751 6.765 -6.502 1.00 0.00 O ATOM 221 CB CYS A 18 12.269 5.923 -3.889 1.00 0.00 C ATOM 222 SG CYS A 18 11.732 5.493 -2.217 1.00 0.00 S ATOM 0 H CYS A 18 11.248 3.858 -4.768 1.00 0.00 H new ATOM 0 HA CYS A 18 10.268 6.433 -4.483 1.00 0.00 H new ATOM 0 HB2 CYS A 18 13.026 5.208 -4.211 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.746 6.903 -3.865 1.00 0.00 H new ATOM 0 HG CYS A 18 12.773 5.289 -1.466 1.00 0.00 H new ATOM 228 N ARG A 19 10.610 7.396 -6.792 1.00 0.00 N ATOM 229 CA ARG A 19 10.891 8.192 -7.981 1.00 0.00 C ATOM 230 C ARG A 19 11.929 9.270 -7.680 1.00 0.00 C ATOM 231 O ARG A 19 12.862 9.481 -8.456 1.00 0.00 O ATOM 232 CB ARG A 19 9.607 8.838 -8.503 1.00 0.00 C ATOM 233 CG ARG A 19 8.701 7.873 -9.252 1.00 0.00 C ATOM 234 CD ARG A 19 9.027 7.844 -10.737 1.00 0.00 C ATOM 235 NE ARG A 19 8.397 8.949 -11.457 1.00 0.00 N ATOM 236 CZ ARG A 19 8.558 9.165 -12.757 1.00 0.00 C ATOM 237 NH1 ARG A 19 9.322 8.355 -13.478 1.00 0.00 N ATOM 238 NH2 ARG A 19 7.953 10.192 -13.341 1.00 0.00 N ATOM 0 H ARG A 19 9.630 7.389 -6.511 1.00 0.00 H new ATOM 0 HA ARG A 19 11.293 7.528 -8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.057 9.263 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.869 9.665 -9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.809 6.872 -8.835 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.660 8.166 -9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.108 7.892 -10.872 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.695 6.897 -11.163 1.00 0.00 H new ATOM 0 HE ARG A 19 7.801 9.589 -10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.788 7.564 -13.034 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.444 8.524 -14.477 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.363 10.817 -12.791 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.078 10.357 -14.340 1.00 0.00 H new ATOM 252 N SER A 20 11.759 9.950 -6.551 1.00 0.00 N ATOM 253 CA SER A 20 12.678 11.009 -6.151 1.00 0.00 C ATOM 254 C SER A 20 12.807 11.071 -4.632 1.00 0.00 C ATOM 255 O SER A 20 12.153 10.317 -3.911 1.00 0.00 O ATOM 256 CB SER A 20 12.200 12.359 -6.689 1.00 0.00 C ATOM 257 OG SER A 20 13.295 13.221 -6.949 1.00 0.00 O ATOM 0 H SER A 20 10.993 9.787 -5.897 1.00 0.00 H new ATOM 0 HA SER A 20 13.658 10.784 -6.573 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.627 12.207 -7.604 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.530 12.825 -5.967 1.00 0.00 H new ATOM 0 HG SER A 20 12.963 14.076 -7.293 1.00 0.00 H new ATOM 263 N ALA A 21 13.655 11.975 -4.153 1.00 0.00 N ATOM 264 CA ALA A 21 13.869 12.138 -2.719 1.00 0.00 C ATOM 265 C ALA A 21 12.559 12.444 -2.000 1.00 0.00 C ATOM 266 O ALA A 21 12.358 12.039 -0.855 1.00 0.00 O ATOM 267 CB ALA A 21 14.885 13.240 -2.460 1.00 0.00 C ATOM 0 H ALA A 21 14.205 12.606 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 21 14.259 11.199 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.035 13.351 -1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.832 12.981 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.517 14.179 -2.874 1.00 0.00 H new ATOM 273 N THR A 22 11.669 13.162 -2.679 1.00 0.00 N ATOM 274 CA THR A 22 10.380 13.524 -2.104 1.00 0.00 C ATOM 275 C THR A 22 9.231 12.986 -2.950 1.00 0.00 C ATOM 276 O THR A 22 8.125 13.527 -2.926 1.00 0.00 O ATOM 277 CB THR A 22 10.234 15.052 -1.972 1.00 0.00 C ATOM 278 OG1 THR A 22 10.385 15.672 -3.252 1.00 0.00 O ATOM 279 CG2 THR A 22 11.266 15.612 -1.005 1.00 0.00 C ATOM 0 H THR A 22 11.818 13.504 -3.628 1.00 0.00 H new ATOM 0 HA THR A 22 10.338 13.075 -1.112 1.00 0.00 H new ATOM 0 HB THR A 22 9.239 15.267 -1.582 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.289 16.643 -3.159 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.144 16.692 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.127 15.160 -0.023 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.268 15.385 -1.370 1.00 0.00 H new ATOM 287 N CYS A 23 9.500 11.920 -3.695 1.00 0.00 N ATOM 288 CA CYS A 23 8.487 11.309 -4.548 1.00 0.00 C ATOM 289 C CYS A 23 8.592 9.788 -4.512 1.00 0.00 C ATOM 290 O CYS A 23 9.683 9.233 -4.394 1.00 0.00 O ATOM 291 CB CYS A 23 8.634 11.808 -5.987 1.00 0.00 C ATOM 292 SG CYS A 23 8.665 13.609 -6.143 1.00 0.00 S ATOM 0 H CYS A 23 10.410 11.461 -3.726 1.00 0.00 H new ATOM 0 HA CYS A 23 7.506 11.597 -4.169 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.553 11.401 -6.409 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.809 11.416 -6.582 1.00 0.00 H new ATOM 0 HG CYS A 23 8.794 13.934 -7.395 1.00 0.00 H new ATOM 298 N ALA A 24 7.447 9.118 -4.614 1.00 0.00 N ATOM 299 CA ALA A 24 7.411 7.661 -4.594 1.00 0.00 C ATOM 300 C ALA A 24 6.137 7.135 -5.247 1.00 0.00 C ATOM 301 O ALA A 24 5.130 7.839 -5.318 1.00 0.00 O ATOM 302 CB ALA A 24 7.523 7.150 -3.165 1.00 0.00 C ATOM 0 H ALA A 24 6.534 9.561 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 24 8.262 7.293 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.495 6.060 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.463 7.489 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.691 7.535 -2.575 1.00 0.00 H new ATOM 308 N GLN A 25 6.190 5.896 -5.723 1.00 0.00 N ATOM 309 CA GLN A 25 5.040 5.276 -6.372 1.00 0.00 C ATOM 310 C GLN A 25 4.785 3.882 -5.812 1.00 0.00 C ATOM 311 O GLN A 25 5.721 3.125 -5.551 1.00 0.00 O ATOM 312 CB GLN A 25 5.260 5.201 -7.883 1.00 0.00 C ATOM 313 CG GLN A 25 4.144 4.484 -8.625 1.00 0.00 C ATOM 314 CD GLN A 25 2.990 5.403 -8.975 1.00 0.00 C ATOM 315 OE1 GLN A 25 3.194 6.545 -9.386 1.00 0.00 O ATOM 316 NE2 GLN A 25 1.769 4.908 -8.811 1.00 0.00 N ATOM 0 H GLN A 25 7.017 5.301 -5.672 1.00 0.00 H new ATOM 0 HA GLN A 25 4.164 5.893 -6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.357 6.212 -8.278 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.203 4.690 -8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.544 4.046 -9.539 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.775 3.662 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.647 3.955 -8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.953 5.480 -9.028 1.00 0.00 H new ATOM 325 N VAL A 26 3.512 3.545 -5.630 1.00 0.00 N ATOM 326 CA VAL A 26 3.134 2.240 -5.102 1.00 0.00 C ATOM 327 C VAL A 26 2.305 1.457 -6.115 1.00 0.00 C ATOM 328 O VAL A 26 1.563 2.036 -6.907 1.00 0.00 O ATOM 329 CB VAL A 26 2.331 2.374 -3.795 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.166 1.018 -3.127 1.00 0.00 C ATOM 331 CG2 VAL A 26 3.007 3.361 -2.854 1.00 0.00 C ATOM 0 H VAL A 26 2.725 4.158 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 26 4.059 1.701 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 26 1.339 2.756 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.596 1.133 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.636 0.343 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.148 0.604 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.426 3.444 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.011 3.009 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.068 4.338 -3.334 1.00 0.00 H new ATOM 341 N ASN A 27 2.439 0.135 -6.084 1.00 0.00 N ATOM 342 CA ASN A 27 1.702 -0.729 -7.000 1.00 0.00 C ATOM 343 C ASN A 27 1.307 -2.035 -6.316 1.00 0.00 C ATOM 344 O ASN A 27 2.123 -2.670 -5.649 1.00 0.00 O ATOM 345 CB ASN A 27 2.545 -1.026 -8.242 1.00 0.00 C ATOM 346 CG ASN A 27 3.225 0.215 -8.789 1.00 0.00 C ATOM 347 OD1 ASN A 27 4.386 0.486 -8.481 1.00 0.00 O ATOM 348 ND2 ASN A 27 2.503 0.974 -9.604 1.00 0.00 N ATOM 0 H ASN A 27 3.050 -0.361 -5.435 1.00 0.00 H new ATOM 0 HA ASN A 27 0.793 -0.208 -7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.300 -1.772 -7.995 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.909 -1.459 -9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.907 1.821 -10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.544 0.710 -9.831 1.00 0.00 H new ATOM 355 N TRP A 28 0.050 -2.429 -6.488 1.00 0.00 N ATOM 356 CA TRP A 28 -0.454 -3.659 -5.889 1.00 0.00 C ATOM 357 C TRP A 28 -1.344 -4.417 -6.867 1.00 0.00 C ATOM 358 O TRP A 28 -1.533 -3.989 -8.005 1.00 0.00 O ATOM 359 CB TRP A 28 -1.232 -3.345 -4.610 1.00 0.00 C ATOM 360 CG TRP A 28 -2.422 -2.462 -4.840 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.698 -2.861 -5.116 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.443 -1.030 -4.816 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.512 -1.764 -5.265 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.766 -0.629 -5.085 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.473 -0.050 -4.591 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.141 0.710 -5.135 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.848 1.280 -4.642 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.172 1.650 -4.912 1.00 0.00 C ATOM 0 H TRP A 28 -0.638 -1.914 -7.037 1.00 0.00 H new ATOM 0 HA TRP A 28 0.400 -4.290 -5.642 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.564 -4.279 -4.157 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.564 -2.864 -3.896 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.020 -3.888 -5.204 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.510 -1.790 -5.475 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.450 -0.326 -4.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.161 0.997 -5.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.107 2.047 -4.471 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.433 2.698 -4.945 1.00 0.00 H new ATOM 379 N GLU A 29 -1.886 -5.544 -6.417 1.00 0.00 N ATOM 380 CA GLU A 29 -2.756 -6.360 -7.255 1.00 0.00 C ATOM 381 C GLU A 29 -3.788 -7.100 -6.410 1.00 0.00 C ATOM 382 O GLU A 29 -3.724 -7.090 -5.180 1.00 0.00 O ATOM 383 CB GLU A 29 -1.928 -7.363 -8.062 1.00 0.00 C ATOM 384 CG GLU A 29 -1.190 -6.739 -9.235 1.00 0.00 C ATOM 385 CD GLU A 29 -0.123 -7.654 -9.805 1.00 0.00 C ATOM 386 OE1 GLU A 29 -0.487 -8.676 -10.424 1.00 0.00 O ATOM 387 OE2 GLU A 29 1.075 -7.346 -9.634 1.00 0.00 O ATOM 0 H GLU A 29 -1.738 -5.912 -5.477 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.282 -5.697 -7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.205 -7.840 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.586 -8.149 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.906 -6.489 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.729 -5.805 -8.914 1.00 0.00 H new ATOM 394 N VAL A 30 -4.741 -7.743 -7.079 1.00 0.00 N ATOM 395 CA VAL A 30 -5.788 -8.488 -6.390 1.00 0.00 C ATOM 396 C VAL A 30 -5.419 -9.961 -6.260 1.00 0.00 C ATOM 397 O VAL A 30 -4.970 -10.600 -7.213 1.00 0.00 O ATOM 398 CB VAL A 30 -7.137 -8.371 -7.125 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.246 -9.024 -6.315 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.462 -6.912 -7.412 1.00 0.00 C ATOM 0 H VAL A 30 -4.809 -7.763 -8.097 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.885 -8.051 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.059 -8.896 -8.077 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.191 -8.931 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.015 -10.079 -6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.328 -8.531 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.418 -6.848 -7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.521 -6.361 -6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.680 -6.481 -8.037 1.00 0.00 H new ATOM 410 N PRO A 31 -5.611 -10.515 -5.054 1.00 0.00 N ATOM 411 CA PRO A 31 -5.305 -11.921 -4.771 1.00 0.00 C ATOM 412 C PRO A 31 -6.266 -12.875 -5.471 1.00 0.00 C ATOM 413 O PRO A 31 -7.044 -12.467 -6.334 1.00 0.00 O ATOM 414 CB PRO A 31 -5.466 -12.020 -3.251 1.00 0.00 C ATOM 415 CG PRO A 31 -6.413 -10.925 -2.899 1.00 0.00 C ATOM 416 CD PRO A 31 -6.143 -9.813 -3.874 1.00 0.00 C ATOM 0 HA PRO A 31 -4.314 -12.202 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.859 -12.993 -2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.510 -11.895 -2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.446 -11.265 -2.971 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.258 -10.590 -1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.051 -9.258 -4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.426 -9.095 -3.476 1.00 0.00 H new ATOM 424 N LEU A 32 -6.207 -14.148 -5.095 1.00 0.00 N ATOM 425 CA LEU A 32 -7.073 -15.163 -5.687 1.00 0.00 C ATOM 426 C LEU A 32 -8.475 -15.098 -5.089 1.00 0.00 C ATOM 427 O LEU A 32 -8.710 -15.575 -3.978 1.00 0.00 O ATOM 428 CB LEU A 32 -6.479 -16.555 -5.475 1.00 0.00 C ATOM 429 CG LEU A 32 -5.058 -16.767 -5.998 1.00 0.00 C ATOM 430 CD1 LEU A 32 -4.365 -17.878 -5.226 1.00 0.00 C ATOM 431 CD2 LEU A 32 -5.079 -17.081 -7.486 1.00 0.00 C ATOM 0 H LEU A 32 -5.569 -14.502 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.145 -14.965 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.487 -16.773 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.133 -17.284 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.496 -15.845 -5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.355 -18.014 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.317 -17.612 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.926 -18.806 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.059 -17.229 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.658 -17.988 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.535 -16.251 -8.027 1.00 0.00 H new ATOM 501 N VAL A 38 -13.392 -8.573 -4.369 1.00 0.00 N ATOM 502 CA VAL A 38 -12.912 -7.309 -3.823 1.00 0.00 C ATOM 503 C VAL A 38 -13.764 -6.142 -4.306 1.00 0.00 C ATOM 504 O VAL A 38 -14.154 -6.083 -5.473 1.00 0.00 O ATOM 505 CB VAL A 38 -11.442 -7.053 -4.212 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.883 -5.873 -3.432 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.605 -8.301 -3.981 1.00 0.00 C ATOM 0 HA VAL A 38 -12.987 -7.384 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.401 -6.809 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.845 -5.706 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.468 -4.981 -3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.935 -6.085 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.570 -8.102 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.649 -8.579 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.995 -9.118 -4.588 1.00 0.00 H new ATOM 517 N THR A 39 -14.053 -5.212 -3.400 1.00 0.00 N ATOM 518 CA THR A 39 -14.860 -4.046 -3.732 1.00 0.00 C ATOM 519 C THR A 39 -14.086 -2.755 -3.492 1.00 0.00 C ATOM 520 O THR A 39 -14.228 -1.787 -4.239 1.00 0.00 O ATOM 521 CB THR A 39 -16.162 -4.011 -2.909 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.859 -4.051 -1.510 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.062 -5.184 -3.272 1.00 0.00 C ATOM 0 H THR A 39 -13.739 -5.245 -2.430 1.00 0.00 H new ATOM 0 HA THR A 39 -15.109 -4.125 -4.790 1.00 0.00 H new ATOM 0 HB THR A 39 -16.687 -3.084 -3.140 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.692 -4.027 -0.994 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.975 -5.139 -2.679 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.314 -5.135 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.541 -6.119 -3.066 1.00 0.00 H new ATOM 531 N GLU A 40 -13.267 -2.747 -2.444 1.00 0.00 N ATOM 532 CA GLU A 40 -12.471 -1.573 -2.107 1.00 0.00 C ATOM 533 C GLU A 40 -11.057 -1.974 -1.697 1.00 0.00 C ATOM 534 O GLU A 40 -10.781 -3.147 -1.444 1.00 0.00 O ATOM 535 CB GLU A 40 -13.137 -0.785 -0.977 1.00 0.00 C ATOM 536 CG GLU A 40 -14.127 0.259 -1.464 1.00 0.00 C ATOM 537 CD GLU A 40 -14.910 0.894 -0.330 1.00 0.00 C ATOM 538 OE1 GLU A 40 -14.343 1.044 0.772 1.00 0.00 O ATOM 539 OE2 GLU A 40 -16.090 1.243 -0.547 1.00 0.00 O ATOM 0 H GLU A 40 -13.138 -3.539 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.409 -0.941 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.652 -1.481 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.365 -0.293 -0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.591 1.035 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.821 -0.203 -2.166 1.00 0.00 H new ATOM 546 N TYR A 41 -10.165 -0.992 -1.637 1.00 0.00 N ATOM 547 CA TYR A 41 -8.778 -1.242 -1.261 1.00 0.00 C ATOM 548 C TYR A 41 -8.273 -0.172 -0.298 1.00 0.00 C ATOM 549 O TYR A 41 -8.175 1.003 -0.653 1.00 0.00 O ATOM 550 CB TYR A 41 -7.890 -1.283 -2.506 1.00 0.00 C ATOM 551 CG TYR A 41 -8.324 -2.312 -3.525 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.326 -2.027 -4.446 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.734 -3.569 -3.568 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.727 -2.963 -5.378 1.00 0.00 C ATOM 555 CE2 TYR A 41 -8.127 -4.511 -4.499 1.00 0.00 C ATOM 556 CZ TYR A 41 -9.124 -4.204 -5.402 1.00 0.00 C ATOM 557 OH TYR A 41 -9.519 -5.141 -6.329 1.00 0.00 O ATOM 0 H TYR A 41 -10.377 -0.016 -1.844 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.733 -2.208 -0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.889 -0.299 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.864 -1.493 -2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.799 -1.056 -4.432 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.955 -3.814 -2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.508 -2.725 -6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.656 -5.483 -4.520 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.230 -4.859 -7.222 1.00 0.00 H new ATOM 567 N ARG A 42 -7.952 -0.588 0.923 1.00 0.00 N ATOM 568 CA ARG A 42 -7.457 0.334 1.939 1.00 0.00 C ATOM 569 C ARG A 42 -5.935 0.274 2.032 1.00 0.00 C ATOM 570 O ARG A 42 -5.368 -0.736 2.448 1.00 0.00 O ATOM 571 CB ARG A 42 -8.075 0.006 3.299 1.00 0.00 C ATOM 572 CG ARG A 42 -9.412 0.689 3.541 1.00 0.00 C ATOM 573 CD ARG A 42 -9.964 0.358 4.918 1.00 0.00 C ATOM 574 NE ARG A 42 -11.398 0.622 5.011 1.00 0.00 N ATOM 575 CZ ARG A 42 -11.918 1.842 5.074 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.127 2.906 5.055 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.234 2.002 5.156 1.00 0.00 N ATOM 0 H ARG A 42 -8.026 -1.557 1.233 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.747 1.344 1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.208 -1.073 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.379 0.299 4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.293 1.768 3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.125 0.377 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.773 -0.691 5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.438 0.945 5.670 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.035 -0.175 5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.116 2.789 4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.530 3.842 5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.847 1.187 5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.632 2.940 5.204 1.00 0.00 H new ATOM 591 N LEU A 43 -5.281 1.363 1.642 1.00 0.00 N ATOM 592 CA LEU A 43 -3.824 1.434 1.681 1.00 0.00 C ATOM 593 C LEU A 43 -3.357 2.480 2.689 1.00 0.00 C ATOM 594 O LEU A 43 -3.686 3.660 2.569 1.00 0.00 O ATOM 595 CB LEU A 43 -3.273 1.765 0.293 1.00 0.00 C ATOM 596 CG LEU A 43 -1.809 2.202 0.239 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.890 0.990 0.227 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.558 3.076 -0.982 1.00 0.00 C ATOM 0 H LEU A 43 -5.736 2.208 1.296 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.445 0.461 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.393 0.888 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.884 2.557 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.592 2.788 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.148 1.321 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.050 0.403 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.108 0.377 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.511 3.378 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.793 2.514 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.190 3.963 -0.931 1.00 0.00 H new ATOM 610 N GLU A 44 -2.588 2.038 3.679 1.00 0.00 N ATOM 611 CA GLU A 44 -2.075 2.937 4.706 1.00 0.00 C ATOM 612 C GLU A 44 -0.614 3.288 4.442 1.00 0.00 C ATOM 613 O GLU A 44 0.150 2.469 3.931 1.00 0.00 O ATOM 614 CB GLU A 44 -2.216 2.298 6.090 1.00 0.00 C ATOM 615 CG GLU A 44 -3.651 1.978 6.470 1.00 0.00 C ATOM 616 CD GLU A 44 -3.815 1.704 7.952 1.00 0.00 C ATOM 617 OE1 GLU A 44 -2.990 2.208 8.743 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.766 0.984 8.321 1.00 0.00 O ATOM 0 H GLU A 44 -2.307 1.064 3.792 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.662 3.855 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.628 1.380 6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.793 2.971 6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.293 2.812 6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.988 1.109 5.904 1.00 0.00 H new ATOM 625 N TRP A 45 -0.234 4.512 4.791 1.00 0.00 N ATOM 626 CA TRP A 45 1.135 4.972 4.591 1.00 0.00 C ATOM 627 C TRP A 45 1.569 5.900 5.721 1.00 0.00 C ATOM 628 O TRP A 45 0.963 6.948 5.944 1.00 0.00 O ATOM 629 CB TRP A 45 1.262 5.692 3.247 1.00 0.00 C ATOM 630 CG TRP A 45 2.649 6.188 2.968 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.311 7.185 3.626 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.540 5.711 1.955 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.561 7.357 3.083 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.727 6.464 2.057 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.455 4.721 0.973 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.815 6.257 1.213 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.535 4.517 0.137 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.703 5.281 0.261 1.00 0.00 C ATOM 0 H TRP A 45 -0.854 5.203 5.213 1.00 0.00 H new ATOM 0 HA TRP A 45 1.788 4.099 4.591 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.959 5.014 2.449 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.571 6.535 3.228 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.911 7.754 4.452 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.253 8.039 3.393 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.560 4.125 0.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.715 6.846 1.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.478 3.755 -0.626 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.531 5.096 -0.408 1.00 0.00 H new ATOM 649 N GLY A 46 2.621 5.508 6.433 1.00 0.00 N ATOM 650 CA GLY A 46 3.117 6.316 7.531 1.00 0.00 C ATOM 651 C GLY A 46 4.600 6.120 7.774 1.00 0.00 C ATOM 652 O GLY A 46 5.076 4.989 7.866 1.00 0.00 O ATOM 0 H GLY A 46 3.139 4.645 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.923 7.368 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.568 6.066 8.439 1.00 0.00 H new ATOM 656 N GLY A 47 5.334 7.223 7.873 1.00 0.00 N ATOM 657 CA GLY A 47 6.764 7.146 8.103 1.00 0.00 C ATOM 658 C GLY A 47 7.143 5.996 9.016 1.00 0.00 C ATOM 659 O GLY A 47 7.860 5.082 8.610 1.00 0.00 O ATOM 0 H GLY A 47 4.963 8.170 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.277 7.032 7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.110 8.083 8.541 1.00 0.00 H new ATOM 663 N VAL A 48 6.662 6.042 10.254 1.00 0.00 N ATOM 664 CA VAL A 48 6.955 4.997 11.227 1.00 0.00 C ATOM 665 C VAL A 48 5.866 3.930 11.233 1.00 0.00 C ATOM 666 O VAL A 48 4.689 4.234 11.424 1.00 0.00 O ATOM 667 CB VAL A 48 7.097 5.577 12.647 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.979 4.475 13.689 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.419 6.316 12.790 1.00 0.00 C ATOM 0 H VAL A 48 6.068 6.792 10.607 1.00 0.00 H new ATOM 0 HA VAL A 48 7.901 4.545 10.930 1.00 0.00 H new ATOM 0 HB VAL A 48 6.288 6.289 12.812 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.082 4.904 14.686 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.005 3.993 13.600 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.765 3.737 13.529 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.503 6.719 13.799 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.243 5.627 12.605 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.460 7.132 12.069 1.00 0.00 H new ATOM 679 N GLU A 49 6.268 2.681 11.023 1.00 0.00 N ATOM 680 CA GLU A 49 5.325 1.569 11.004 1.00 0.00 C ATOM 681 C GLU A 49 4.435 1.589 12.243 1.00 0.00 C ATOM 682 O GLU A 49 3.282 1.158 12.201 1.00 0.00 O ATOM 683 CB GLU A 49 6.073 0.237 10.922 1.00 0.00 C ATOM 684 CG GLU A 49 6.981 -0.025 12.112 1.00 0.00 C ATOM 685 CD GLU A 49 7.202 -1.504 12.362 1.00 0.00 C ATOM 686 OE1 GLU A 49 8.100 -2.087 11.721 1.00 0.00 O ATOM 687 OE2 GLU A 49 6.476 -2.079 13.201 1.00 0.00 O ATOM 0 H GLU A 49 7.239 2.414 10.864 1.00 0.00 H new ATOM 0 HA GLU A 49 4.694 1.678 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.348 -0.573 10.844 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.669 0.220 10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.943 0.459 11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.547 0.429 13.003 1.00 0.00 H new ATOM 694 N GLY A 50 4.978 2.093 13.347 1.00 0.00 N ATOM 695 CA GLY A 50 4.221 2.159 14.583 1.00 0.00 C ATOM 696 C GLY A 50 2.940 2.957 14.436 1.00 0.00 C ATOM 697 O GLY A 50 1.914 2.610 15.021 1.00 0.00 O ATOM 0 H GLY A 50 5.929 2.457 13.407 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.980 1.148 14.912 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.839 2.609 15.360 1.00 0.00 H new ATOM 701 N SER A 51 3.000 4.030 13.654 1.00 0.00 N ATOM 702 CA SER A 51 1.838 4.884 13.437 1.00 0.00 C ATOM 703 C SER A 51 1.557 5.049 11.946 1.00 0.00 C ATOM 704 O SER A 51 2.268 5.768 11.246 1.00 0.00 O ATOM 705 CB SER A 51 2.058 6.254 14.081 1.00 0.00 C ATOM 706 OG SER A 51 1.630 6.256 15.432 1.00 0.00 O ATOM 0 H SER A 51 3.841 4.329 13.160 1.00 0.00 H new ATOM 0 HA SER A 51 0.975 4.407 13.901 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.114 6.518 14.030 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.512 7.014 13.522 1.00 0.00 H new ATOM 0 HG SER A 51 1.783 7.142 15.822 1.00 0.00 H new ATOM 712 N MET A 52 0.514 4.378 11.470 1.00 0.00 N ATOM 713 CA MET A 52 0.137 4.450 10.063 1.00 0.00 C ATOM 714 C MET A 52 -1.339 4.807 9.913 1.00 0.00 C ATOM 715 O MET A 52 -2.143 4.540 10.805 1.00 0.00 O ATOM 716 CB MET A 52 0.426 3.119 9.366 1.00 0.00 C ATOM 717 CG MET A 52 1.855 2.994 8.864 1.00 0.00 C ATOM 718 SD MET A 52 2.283 1.303 8.404 1.00 0.00 S ATOM 719 CE MET A 52 1.991 1.349 6.637 1.00 0.00 C ATOM 0 H MET A 52 -0.085 3.778 12.037 1.00 0.00 H new ATOM 0 HA MET A 52 0.731 5.234 9.593 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.220 2.303 10.059 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.257 3.003 8.525 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.992 3.647 8.002 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.540 3.340 9.638 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.485 0.500 6.164 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.919 1.299 6.444 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.391 2.276 6.226 1.00 0.00 H new ATOM 729 N GLN A 53 -1.685 5.410 8.781 1.00 0.00 N ATOM 730 CA GLN A 53 -3.064 5.803 8.517 1.00 0.00 C ATOM 731 C GLN A 53 -3.414 5.605 7.045 1.00 0.00 C ATOM 732 O GLN A 53 -2.529 5.457 6.201 1.00 0.00 O ATOM 733 CB GLN A 53 -3.285 7.264 8.913 1.00 0.00 C ATOM 734 CG GLN A 53 -3.443 7.471 10.410 1.00 0.00 C ATOM 735 CD GLN A 53 -4.414 6.488 11.036 1.00 0.00 C ATOM 736 OE1 GLN A 53 -4.023 5.630 11.826 1.00 0.00 O ATOM 737 NE2 GLN A 53 -5.689 6.610 10.684 1.00 0.00 N ATOM 0 H GLN A 53 -1.030 5.637 8.032 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.717 5.168 9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.443 7.859 8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.175 7.638 8.407 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.470 7.371 10.891 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.789 8.487 10.598 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.969 7.337 10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.388 5.977 11.073 1.00 0.00 H new ATOM 746 N ILE A 54 -4.708 5.601 6.745 1.00 0.00 N ATOM 747 CA ILE A 54 -5.174 5.421 5.377 1.00 0.00 C ATOM 748 C ILE A 54 -4.722 6.573 4.486 1.00 0.00 C ATOM 749 O ILE A 54 -5.154 7.713 4.661 1.00 0.00 O ATOM 750 CB ILE A 54 -6.710 5.312 5.314 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.202 4.201 6.245 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.165 5.053 3.885 1.00 0.00 C ATOM 753 CD1 ILE A 54 -6.734 2.821 5.838 1.00 0.00 C ATOM 0 H ILE A 54 -5.453 5.721 7.432 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.736 4.491 5.015 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.141 6.257 5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.858 4.408 7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.292 4.214 6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.252 4.979 3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.841 5.874 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.728 4.121 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.120 2.084 6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.100 2.593 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.644 2.791 5.842 1.00 0.00 H new ATOM 765 N CYS A 55 -3.852 6.267 3.530 1.00 0.00 N ATOM 766 CA CYS A 55 -3.340 7.277 2.610 1.00 0.00 C ATOM 767 C CYS A 55 -4.251 7.417 1.394 1.00 0.00 C ATOM 768 O CYS A 55 -4.562 8.526 0.962 1.00 0.00 O ATOM 769 CB CYS A 55 -1.923 6.918 2.162 1.00 0.00 C ATOM 770 SG CYS A 55 -0.893 8.347 1.756 1.00 0.00 S ATOM 0 H CYS A 55 -3.486 5.328 3.372 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.316 8.232 3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.437 6.347 2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.983 6.267 1.290 1.00 0.00 H new ATOM 0 HG CYS A 55 0.287 7.942 1.390 1.00 0.00 H new ATOM 776 N TYR A 56 -4.676 6.283 0.847 1.00 0.00 N ATOM 777 CA TYR A 56 -5.547 6.278 -0.322 1.00 0.00 C ATOM 778 C TYR A 56 -6.570 5.149 -0.233 1.00 0.00 C ATOM 779 O TYR A 56 -6.257 4.046 0.215 1.00 0.00 O ATOM 780 CB TYR A 56 -4.721 6.134 -1.601 1.00 0.00 C ATOM 781 CG TYR A 56 -5.544 5.768 -2.816 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.872 4.445 -3.085 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.994 6.746 -3.694 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.622 4.107 -4.193 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.746 6.417 -4.804 1.00 0.00 C ATOM 786 CZ TYR A 56 -7.058 5.096 -5.051 1.00 0.00 C ATOM 787 OH TYR A 56 -7.806 4.763 -6.156 1.00 0.00 O ATOM 0 H TYR A 56 -4.431 5.356 1.195 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.081 7.228 -0.349 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.200 7.072 -1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.958 5.371 -1.447 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.534 3.668 -2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.751 7.781 -3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.867 3.073 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.088 7.190 -5.476 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.033 5.576 -6.654 1.00 0.00 H new ATOM 797 N CYS A 57 -7.794 5.433 -0.666 1.00 0.00 N ATOM 798 CA CYS A 57 -8.864 4.442 -0.636 1.00 0.00 C ATOM 799 C CYS A 57 -9.663 4.466 -1.936 1.00 0.00 C ATOM 800 O CYS A 57 -10.029 5.531 -2.431 1.00 0.00 O ATOM 801 CB CYS A 57 -9.792 4.699 0.552 1.00 0.00 C ATOM 802 SG CYS A 57 -11.159 5.826 0.190 1.00 0.00 S ATOM 0 H CYS A 57 -8.070 6.340 -1.042 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.411 3.457 -0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.200 3.748 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.206 5.108 1.375 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.151 6.126 -1.075 1.00 0.00 H new ATOM 808 N GLY A 58 -9.927 3.284 -2.484 1.00 0.00 N ATOM 809 CA GLY A 58 -10.679 3.191 -3.722 1.00 0.00 C ATOM 810 C GLY A 58 -10.395 1.908 -4.477 1.00 0.00 C ATOM 811 O GLY A 58 -9.543 1.109 -4.089 1.00 0.00 O ATOM 0 H GLY A 58 -9.634 2.389 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.745 3.251 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.436 4.044 -4.356 1.00 0.00 H new ATOM 815 N PRO A 59 -11.123 1.696 -5.583 1.00 0.00 N ATOM 816 CA PRO A 59 -10.965 0.500 -6.418 1.00 0.00 C ATOM 817 C PRO A 59 -9.639 0.491 -7.171 1.00 0.00 C ATOM 818 O PRO A 59 -9.167 -0.560 -7.604 1.00 0.00 O ATOM 819 CB PRO A 59 -12.136 0.595 -7.399 1.00 0.00 C ATOM 820 CG PRO A 59 -12.454 2.049 -7.470 1.00 0.00 C ATOM 821 CD PRO A 59 -12.157 2.605 -6.105 1.00 0.00 C ATOM 0 HA PRO A 59 -10.962 -0.414 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.865 0.201 -8.378 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.993 0.019 -7.050 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.852 2.543 -8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.499 2.207 -7.737 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.798 3.633 -6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.044 2.610 -5.472 1.00 0.00 H new ATOM 829 N GLY A 60 -9.041 1.669 -7.321 1.00 0.00 N ATOM 830 CA GLY A 60 -7.774 1.773 -8.022 1.00 0.00 C ATOM 831 C GLY A 60 -6.816 0.655 -7.658 1.00 0.00 C ATOM 832 O GLY A 60 -6.993 -0.017 -6.641 1.00 0.00 O ATOM 0 H GLY A 60 -9.411 2.552 -6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.955 1.757 -9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.312 2.733 -7.791 1.00 0.00 H new ATOM 836 N LEU A 61 -5.800 0.455 -8.489 1.00 0.00 N ATOM 837 CA LEU A 61 -4.810 -0.590 -8.250 1.00 0.00 C ATOM 838 C LEU A 61 -3.418 0.008 -8.077 1.00 0.00 C ATOM 839 O LEU A 61 -2.470 -0.693 -7.720 1.00 0.00 O ATOM 840 CB LEU A 61 -4.807 -1.591 -9.406 1.00 0.00 C ATOM 841 CG LEU A 61 -6.092 -2.399 -9.597 1.00 0.00 C ATOM 842 CD1 LEU A 61 -6.035 -3.192 -10.894 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.320 -3.326 -8.413 1.00 0.00 C ATOM 0 H LEU A 61 -5.639 1.002 -9.335 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.080 -1.108 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.602 -1.049 -10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.982 -2.288 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.930 -1.705 -9.655 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.957 -3.761 -11.014 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.919 -2.507 -11.734 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.188 -3.877 -10.865 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.238 -3.893 -8.566 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.480 -4.014 -8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.406 -2.736 -7.500 1.00 0.00 H new ATOM 855 N SER A 62 -3.301 1.308 -8.329 1.00 0.00 N ATOM 856 CA SER A 62 -2.024 1.999 -8.203 1.00 0.00 C ATOM 857 C SER A 62 -2.229 3.435 -7.728 1.00 0.00 C ATOM 858 O SER A 62 -3.178 4.106 -8.135 1.00 0.00 O ATOM 859 CB SER A 62 -1.282 1.993 -9.540 1.00 0.00 C ATOM 860 OG SER A 62 -0.779 0.703 -9.838 1.00 0.00 O ATOM 0 H SER A 62 -4.076 1.904 -8.622 1.00 0.00 H new ATOM 0 HA SER A 62 -1.424 1.471 -7.462 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.955 2.317 -10.334 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.460 2.708 -9.507 1.00 0.00 H new ATOM 0 HG SER A 62 -0.310 0.725 -10.698 1.00 0.00 H new ATOM 866 N TYR A 63 -1.331 3.900 -6.867 1.00 0.00 N ATOM 867 CA TYR A 63 -1.414 5.255 -6.334 1.00 0.00 C ATOM 868 C TYR A 63 -0.022 5.845 -6.130 1.00 0.00 C ATOM 869 O TYR A 63 0.886 5.168 -5.648 1.00 0.00 O ATOM 870 CB TYR A 63 -2.181 5.260 -5.011 1.00 0.00 C ATOM 871 CG TYR A 63 -2.140 6.589 -4.292 1.00 0.00 C ATOM 872 CD1 TYR A 63 -2.965 7.637 -4.678 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.273 6.797 -3.225 1.00 0.00 C ATOM 874 CE1 TYR A 63 -2.930 8.853 -4.025 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.233 8.009 -2.565 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.063 9.035 -2.968 1.00 0.00 C ATOM 877 OH TYR A 63 -2.024 10.245 -2.314 1.00 0.00 O ATOM 0 H TYR A 63 -0.537 3.359 -6.523 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.948 5.871 -7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.220 4.992 -5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.768 4.491 -4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.647 7.498 -5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.620 5.997 -2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.578 9.657 -4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.555 8.153 -1.737 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.361 10.206 -1.594 1.00 0.00 H new ATOM 887 N GLU A 64 0.136 7.113 -6.498 1.00 0.00 N ATOM 888 CA GLU A 64 1.418 7.795 -6.355 1.00 0.00 C ATOM 889 C GLU A 64 1.441 8.648 -5.090 1.00 0.00 C ATOM 890 O GLU A 64 0.410 9.165 -4.658 1.00 0.00 O ATOM 891 CB GLU A 64 1.694 8.670 -7.579 1.00 0.00 C ATOM 892 CG GLU A 64 1.216 10.103 -7.424 1.00 0.00 C ATOM 893 CD GLU A 64 0.784 10.720 -8.739 1.00 0.00 C ATOM 894 OE1 GLU A 64 -0.389 10.537 -9.124 1.00 0.00 O ATOM 895 OE2 GLU A 64 1.621 11.388 -9.383 1.00 0.00 O ATOM 0 H GLU A 64 -0.606 7.688 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 64 2.198 7.037 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.766 8.673 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.209 8.226 -8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.382 10.130 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.016 10.704 -6.991 1.00 0.00 H new ATOM 902 N ILE A 65 2.624 8.791 -4.502 1.00 0.00 N ATOM 903 CA ILE A 65 2.782 9.582 -3.288 1.00 0.00 C ATOM 904 C ILE A 65 3.857 10.649 -3.463 1.00 0.00 C ATOM 905 O ILE A 65 4.929 10.382 -4.006 1.00 0.00 O ATOM 906 CB ILE A 65 3.145 8.695 -2.081 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.925 7.895 -1.623 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.685 9.548 -0.942 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.279 6.641 -0.853 1.00 0.00 C ATOM 0 H ILE A 65 3.487 8.370 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 65 1.823 10.064 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 65 3.922 7.993 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.298 8.530 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.332 7.621 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.937 8.908 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.578 10.077 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.927 10.270 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.365 6.124 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.881 5.985 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.846 6.909 0.038 1.00 0.00 H new ATOM 921 N LYS A 66 3.565 11.858 -2.997 1.00 0.00 N ATOM 922 CA LYS A 66 4.507 12.967 -3.098 1.00 0.00 C ATOM 923 C LYS A 66 4.541 13.772 -1.803 1.00 0.00 C ATOM 924 O LYS A 66 3.755 13.528 -0.888 1.00 0.00 O ATOM 925 CB LYS A 66 4.130 13.878 -4.268 1.00 0.00 C ATOM 926 CG LYS A 66 4.393 13.260 -5.631 1.00 0.00 C ATOM 927 CD LYS A 66 4.252 14.284 -6.744 1.00 0.00 C ATOM 928 CE LYS A 66 4.791 13.751 -8.063 1.00 0.00 C ATOM 929 NZ LYS A 66 4.946 14.830 -9.076 1.00 0.00 N ATOM 0 H LYS A 66 2.682 12.096 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 66 5.500 12.553 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.073 14.134 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.690 14.810 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.397 12.835 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.696 12.439 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.202 14.554 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.787 15.194 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.755 13.271 -7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.117 12.986 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.315 14.426 -9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.022 15.272 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.609 15.548 -8.720 1.00 0.00 H new ATOM 943 N GLY A 67 5.457 14.734 -1.734 1.00 0.00 N ATOM 944 CA GLY A 67 5.575 15.561 -0.547 1.00 0.00 C ATOM 945 C GLY A 67 6.255 14.838 0.598 1.00 0.00 C ATOM 946 O GLY A 67 6.017 15.147 1.767 1.00 0.00 O ATOM 0 H GLY A 67 6.119 14.955 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.139 16.462 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.582 15.882 -0.231 1.00 0.00 H new ATOM 950 N LEU A 68 7.104 13.872 0.265 1.00 0.00 N ATOM 951 CA LEU A 68 7.820 13.101 1.275 1.00 0.00 C ATOM 952 C LEU A 68 9.146 13.766 1.628 1.00 0.00 C ATOM 953 O LEU A 68 9.522 14.778 1.036 1.00 0.00 O ATOM 954 CB LEU A 68 8.068 11.676 0.776 1.00 0.00 C ATOM 955 CG LEU A 68 6.860 10.954 0.178 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.310 9.811 -0.718 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.944 10.442 1.280 1.00 0.00 C ATOM 0 H LEU A 68 7.313 13.604 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 68 7.203 13.063 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.856 11.708 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.446 11.082 1.608 1.00 0.00 H new ATOM 0 HG LEU A 68 6.301 11.666 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.436 9.309 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.923 10.204 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.893 9.099 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.090 9.931 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.492 9.746 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.592 11.281 1.880 1.00 0.00 H new ATOM 969 N SER A 69 9.852 13.189 2.595 1.00 0.00 N ATOM 970 CA SER A 69 11.137 13.728 3.029 1.00 0.00 C ATOM 971 C SER A 69 12.259 12.727 2.773 1.00 0.00 C ATOM 972 O SER A 69 12.086 11.514 2.901 1.00 0.00 O ATOM 973 CB SER A 69 11.088 14.086 4.514 1.00 0.00 C ATOM 974 OG SER A 69 10.245 15.203 4.742 1.00 0.00 O ATOM 0 H SER A 69 9.557 12.349 3.093 1.00 0.00 H new ATOM 0 HA SER A 69 11.339 14.630 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.727 13.231 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.094 14.307 4.872 1.00 0.00 H new ATOM 0 HG SER A 69 10.229 15.411 5.700 1.00 0.00 H new ATOM 980 N PRO A 70 13.440 13.244 2.402 1.00 0.00 N ATOM 981 CA PRO A 70 14.615 12.414 2.120 1.00 0.00 C ATOM 982 C PRO A 70 15.183 11.767 3.379 1.00 0.00 C ATOM 983 O PRO A 70 15.036 12.297 4.480 1.00 0.00 O ATOM 984 CB PRO A 70 15.618 13.409 1.531 1.00 0.00 C ATOM 985 CG PRO A 70 15.214 14.730 2.088 1.00 0.00 C ATOM 986 CD PRO A 70 13.718 14.680 2.230 1.00 0.00 C ATOM 0 HA PRO A 70 14.378 11.583 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.640 13.156 1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.581 13.411 0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.692 14.910 3.051 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.516 15.541 1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.376 15.261 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.217 15.084 1.350 1.00 0.00 H new ATOM 994 N ALA A 71 15.833 10.621 3.208 1.00 0.00 N ATOM 995 CA ALA A 71 16.425 9.904 4.330 1.00 0.00 C ATOM 996 C ALA A 71 15.410 9.702 5.451 1.00 0.00 C ATOM 997 O ALA A 71 15.662 10.055 6.603 1.00 0.00 O ATOM 998 CB ALA A 71 17.645 10.650 4.849 1.00 0.00 C ATOM 0 H ALA A 71 15.963 10.169 2.303 1.00 0.00 H new ATOM 0 HA ALA A 71 16.737 8.921 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.077 10.103 5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.384 10.737 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.349 11.646 5.180 1.00 0.00 H new ATOM 1004 N THR A 72 14.260 9.132 5.105 1.00 0.00 N ATOM 1005 CA THR A 72 13.205 8.886 6.080 1.00 0.00 C ATOM 1006 C THR A 72 12.535 7.539 5.836 1.00 0.00 C ATOM 1007 O THR A 72 12.083 7.250 4.728 1.00 0.00 O ATOM 1008 CB THR A 72 12.135 9.993 6.044 1.00 0.00 C ATOM 1009 OG1 THR A 72 12.700 11.234 6.480 1.00 0.00 O ATOM 1010 CG2 THR A 72 10.951 9.631 6.927 1.00 0.00 C ATOM 0 H THR A 72 14.036 8.832 4.156 1.00 0.00 H new ATOM 0 HA THR A 72 13.678 8.882 7.062 1.00 0.00 H new ATOM 0 HB THR A 72 11.784 10.095 5.017 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.386 11.523 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.209 10.428 6.885 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.505 8.701 6.574 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.289 9.504 7.955 1.00 0.00 H new ATOM 1018 N THR A 73 12.472 6.716 6.880 1.00 0.00 N ATOM 1019 CA THR A 73 11.857 5.399 6.778 1.00 0.00 C ATOM 1020 C THR A 73 10.343 5.509 6.642 1.00 0.00 C ATOM 1021 O THR A 73 9.691 6.219 7.408 1.00 0.00 O ATOM 1022 CB THR A 73 12.189 4.528 8.004 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.588 4.614 8.303 1.00 0.00 O ATOM 1024 CG2 THR A 73 11.808 3.077 7.757 1.00 0.00 C ATOM 0 H THR A 73 12.840 6.939 7.805 1.00 0.00 H new ATOM 0 HA THR A 73 12.266 4.927 5.885 1.00 0.00 H new ATOM 0 HB THR A 73 11.613 4.900 8.851 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.790 4.059 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.052 2.482 8.637 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.738 3.010 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.360 2.697 6.897 1.00 0.00 H new ATOM 1032 N TYR A 74 9.789 4.801 5.665 1.00 0.00 N ATOM 1033 CA TYR A 74 8.351 4.820 5.427 1.00 0.00 C ATOM 1034 C TYR A 74 7.802 3.403 5.286 1.00 0.00 C ATOM 1035 O TYR A 74 8.554 2.454 5.062 1.00 0.00 O ATOM 1036 CB TYR A 74 8.031 5.630 4.169 1.00 0.00 C ATOM 1037 CG TYR A 74 8.255 7.116 4.333 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.320 7.912 4.984 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.401 7.725 3.836 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.520 9.271 5.135 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.610 9.083 3.983 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.667 9.851 4.633 1.00 0.00 C ATOM 1043 OH TYR A 74 8.870 11.204 4.782 1.00 0.00 O ATOM 0 H TYR A 74 10.314 4.206 5.024 1.00 0.00 H new ATOM 0 HA TYR A 74 7.873 5.291 6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.647 5.267 3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.992 5.456 3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.422 7.461 5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.141 7.126 3.326 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.783 9.875 5.643 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.507 9.540 3.591 1.00 0.00 H new ATOM 0 HH TYR A 74 8.433 11.512 5.604 1.00 0.00 H new ATOM 1053 N TYR A 75 6.487 3.269 5.419 1.00 0.00 N ATOM 1054 CA TYR A 75 5.837 1.968 5.309 1.00 0.00 C ATOM 1055 C TYR A 75 4.506 2.086 4.573 1.00 0.00 C ATOM 1056 O TYR A 75 3.836 3.118 4.638 1.00 0.00 O ATOM 1057 CB TYR A 75 5.614 1.368 6.698 1.00 0.00 C ATOM 1058 CG TYR A 75 6.883 1.225 7.508 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.341 2.268 8.305 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.623 0.050 7.475 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.500 2.143 9.046 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.782 -0.084 8.214 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.217 0.965 8.998 1.00 0.00 C ATOM 1064 OH TYR A 75 10.372 0.836 9.735 1.00 0.00 O ATOM 0 H TYR A 75 5.851 4.045 5.603 1.00 0.00 H new ATOM 0 HA TYR A 75 6.491 1.309 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.912 1.995 7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.149 0.388 6.591 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.782 3.191 8.345 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.286 -0.772 6.861 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.843 2.963 9.660 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.345 -1.005 8.178 1.00 0.00 H new ATOM 0 HH TYR A 75 10.755 -0.055 9.590 1.00 0.00 H new ATOM 1074 N CYS A 76 4.129 1.022 3.873 1.00 0.00 N ATOM 1075 CA CYS A 76 2.878 1.003 3.124 1.00 0.00 C ATOM 1076 C CYS A 76 2.272 -0.395 3.112 1.00 0.00 C ATOM 1077 O CYS A 76 2.964 -1.381 2.857 1.00 0.00 O ATOM 1078 CB CYS A 76 3.110 1.484 1.691 1.00 0.00 C ATOM 1079 SG CYS A 76 3.856 0.243 0.608 1.00 0.00 S ATOM 0 H CYS A 76 4.672 0.161 3.809 1.00 0.00 H new ATOM 0 HA CYS A 76 2.178 1.678 3.617 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.157 1.796 1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.753 2.364 1.714 1.00 0.00 H new ATOM 0 HG CYS A 76 3.704 -0.937 1.131 1.00 0.00 H new ATOM 1085 N ARG A 77 0.975 -0.476 3.391 1.00 0.00 N ATOM 1086 CA ARG A 77 0.275 -1.755 3.415 1.00 0.00 C ATOM 1087 C ARG A 77 -1.073 -1.651 2.710 1.00 0.00 C ATOM 1088 O ARG A 77 -1.802 -0.673 2.882 1.00 0.00 O ATOM 1089 CB ARG A 77 0.075 -2.223 4.858 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.546 -1.169 5.759 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.443 -1.560 7.225 1.00 0.00 C ATOM 1092 NE ARG A 77 -0.936 -0.505 8.108 1.00 0.00 N ATOM 1093 CZ ARG A 77 -0.911 -0.585 9.433 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -0.420 -1.665 10.027 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -1.377 0.415 10.169 1.00 0.00 N ATOM 0 H ARG A 77 0.387 0.330 3.604 1.00 0.00 H new ATOM 0 HA ARG A 77 0.886 -2.486 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.559 -3.109 4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.039 -2.520 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.047 -0.213 5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.593 -1.030 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.013 -2.473 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.596 -1.781 7.469 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.320 0.339 7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.060 -2.437 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.402 -1.723 11.045 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.756 1.247 9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.357 0.352 11.187 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.400 -2.664 1.915 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.662 -2.688 1.185 1.00 0.00 C ATOM 1111 C VAL A 78 -3.509 -3.890 1.587 1.00 0.00 C ATOM 1112 O VAL A 78 -2.981 -4.963 1.877 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.428 -2.726 -0.338 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.649 -3.972 -0.728 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.754 -2.660 -1.082 1.00 0.00 C ATOM 0 H VAL A 78 -0.808 -3.480 1.760 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.193 -1.772 1.442 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.836 -1.855 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.494 -3.981 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.683 -3.971 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.211 -4.859 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.570 -2.688 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.374 -3.511 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.269 -1.734 -0.826 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.824 -3.702 1.602 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.744 -4.771 1.970 1.00 0.00 C ATOM 1127 C GLN A 79 -6.930 -4.823 1.011 1.00 0.00 C ATOM 1128 O GLN A 79 -7.185 -3.872 0.274 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.240 -4.575 3.404 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.288 -3.483 3.541 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.923 -3.455 4.918 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -9.036 -4.163 5.071 1.00 0.00 O flip ATOM 1133 NE2 GLN A 79 -7.420 -2.802 5.832 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.276 -2.819 1.364 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.206 -5.717 1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.657 -5.515 3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.391 -4.334 4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.829 -2.516 3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.064 -3.632 2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.564 -2.273 5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.860 -2.790 6.752 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.650 -5.940 1.029 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.809 -6.114 0.163 1.00 0.00 C ATOM 1144 C ALA A 80 -10.100 -6.153 0.975 1.00 0.00 C ATOM 1145 O ALA A 80 -10.233 -6.942 1.911 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.665 -7.384 -0.662 1.00 0.00 C ATOM 0 H ALA A 80 -7.451 -6.737 1.633 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.860 -5.259 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.538 -7.502 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.768 -7.318 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.586 -8.243 0.004 1.00 0.00 H new ATOM 1152 N LEU A 81 -11.048 -5.295 0.611 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.328 -5.231 1.306 1.00 0.00 C ATOM 1154 C LEU A 81 -13.394 -6.025 0.558 1.00 0.00 C ATOM 1155 O LEU A 81 -13.411 -6.054 -0.672 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.773 -3.776 1.460 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.851 -2.875 2.281 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.735 -2.318 1.410 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.643 -1.745 2.924 1.00 0.00 C ATOM 0 H LEU A 81 -10.954 -4.635 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.200 -5.672 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.880 -3.343 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.761 -3.766 1.920 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.401 -3.473 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.089 -1.679 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.150 -3.140 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.165 -1.735 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.970 -1.114 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.121 -1.148 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.406 -2.163 3.581 1.00 0.00 H new ATOM 1171 N SER A 82 -14.283 -6.666 1.310 1.00 0.00 N ATOM 1172 CA SER A 82 -15.353 -7.462 0.719 1.00 0.00 C ATOM 1173 C SER A 82 -16.710 -7.055 1.283 1.00 0.00 C ATOM 1174 O SER A 82 -16.813 -6.099 2.053 1.00 0.00 O ATOM 1175 CB SER A 82 -15.108 -8.951 0.971 1.00 0.00 C ATOM 1176 OG SER A 82 -15.372 -9.289 2.322 1.00 0.00 O ATOM 0 H SER A 82 -14.284 -6.650 2.330 1.00 0.00 H new ATOM 0 HA SER A 82 -15.357 -7.278 -0.355 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.744 -9.544 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.076 -9.200 0.726 1.00 0.00 H new ATOM 0 HG SER A 82 -14.616 -9.794 2.687 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.750 -7.786 0.895 1.00 0.00 N ATOM 1183 CA VAL A 83 -19.101 -7.503 1.363 1.00 0.00 C ATOM 1184 C VAL A 83 -19.404 -8.253 2.656 1.00 0.00 C ATOM 1185 O VAL A 83 -20.510 -8.171 3.190 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.152 -7.882 0.304 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -20.079 -6.935 -0.884 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.964 -9.325 -0.141 1.00 0.00 C ATOM 0 H VAL A 83 -17.682 -8.579 0.257 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.153 -6.430 1.549 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.142 -7.790 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.829 -7.219 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.267 -5.915 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -19.088 -6.992 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.715 -9.576 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.969 -9.447 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.072 -9.988 0.718 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.413 -8.985 3.155 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.571 -9.749 4.386 1.00 0.00 C ATOM 1200 C VAL A 84 -17.613 -9.259 5.465 1.00 0.00 C ATOM 1201 O VAL A 84 -17.630 -9.747 6.595 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.334 -11.253 4.149 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -16.849 -11.575 4.211 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.112 -12.081 5.159 1.00 0.00 C ATOM 0 H VAL A 84 -17.492 -9.065 2.725 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.597 -9.599 4.721 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.695 -11.508 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.701 -12.641 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.322 -11.009 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.459 -11.306 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -18.933 -13.140 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.785 -11.826 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.177 -11.871 5.059 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.776 -8.289 5.110 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.821 -7.748 6.059 1.00 0.00 C ATOM 1216 C GLY A 85 -14.692 -6.997 5.382 1.00 0.00 C ATOM 1217 O GLY A 85 -14.891 -6.368 4.343 1.00 0.00 O ATOM 0 H GLY A 85 -16.742 -7.868 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.337 -7.079 6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.406 -8.561 6.655 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.503 -7.060 5.972 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.338 -6.382 5.418 1.00 0.00 C ATOM 1223 C ALA A 86 -11.092 -7.255 5.524 1.00 0.00 C ATOM 1224 O ALA A 86 -10.528 -7.422 6.605 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.115 -5.054 6.127 1.00 0.00 C ATOM 0 H ALA A 86 -13.321 -7.574 6.834 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.527 -6.192 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.242 -4.558 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.992 -4.420 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.951 -5.232 7.190 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.668 -7.812 4.394 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.493 -8.662 4.381 1.00 0.00 C ATOM 1233 C GLY A 87 -8.347 -8.080 5.186 1.00 0.00 C ATOM 1234 O GLY A 87 -8.315 -6.886 5.486 1.00 0.00 O ATOM 0 H GLY A 87 -11.118 -7.689 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.753 -9.642 4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.169 -8.814 3.351 1.00 0.00 H new ATOM 1238 N PRO A 88 -7.381 -8.936 5.552 1.00 0.00 N ATOM 1239 CA PRO A 88 -6.211 -8.522 6.333 1.00 0.00 C ATOM 1240 C PRO A 88 -5.262 -7.638 5.532 1.00 0.00 C ATOM 1241 O PRO A 88 -5.534 -7.302 4.379 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.535 -9.849 6.688 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.964 -10.791 5.617 1.00 0.00 C ATOM 1244 CD PRO A 88 -7.354 -10.372 5.228 1.00 0.00 C ATOM 0 HA PRO A 88 -6.491 -7.924 7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.450 -9.746 6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.845 -10.201 7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.289 -10.744 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.953 -11.820 5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.545 -10.549 4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.111 -10.924 5.785 1.00 0.00 H new ATOM 1252 N PHE A 89 -4.147 -7.264 6.150 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.156 -6.418 5.494 1.00 0.00 C ATOM 1254 C PHE A 89 -1.970 -7.245 5.010 1.00 0.00 C ATOM 1255 O PHE A 89 -1.640 -8.278 5.591 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.675 -5.325 6.450 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.491 -4.065 6.381 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.485 -3.282 5.238 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.263 -3.666 7.460 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.234 -2.123 5.173 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.016 -2.507 7.399 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.001 -1.735 6.255 1.00 0.00 C ATOM 0 H PHE A 89 -3.907 -7.533 7.104 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.628 -5.952 4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.700 -5.709 7.470 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.635 -5.088 6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.888 -3.581 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.277 -4.266 8.358 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.220 -1.520 4.277 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.615 -2.207 8.246 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.588 -0.829 6.206 1.00 0.00 H new ATOM 1272 N SER A 90 -1.330 -6.781 3.940 1.00 0.00 N ATOM 1273 CA SER A 90 -0.182 -7.480 3.373 1.00 0.00 C ATOM 1274 C SER A 90 1.072 -7.230 4.206 1.00 0.00 C ATOM 1275 O SER A 90 1.036 -6.497 5.195 1.00 0.00 O ATOM 1276 CB SER A 90 0.053 -7.032 1.929 1.00 0.00 C ATOM 1277 OG SER A 90 0.138 -5.620 1.842 1.00 0.00 O ATOM 0 H SER A 90 -1.587 -5.925 3.449 1.00 0.00 H new ATOM 0 HA SER A 90 -0.397 -8.549 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.972 -7.479 1.551 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.759 -7.391 1.297 1.00 0.00 H new ATOM 0 HG SER A 90 0.594 -5.370 1.011 1.00 0.00 H new ATOM 1283 N GLU A 91 2.178 -7.844 3.799 1.00 0.00 N ATOM 1284 CA GLU A 91 3.442 -7.688 4.507 1.00 0.00 C ATOM 1285 C GLU A 91 3.939 -6.248 4.423 1.00 0.00 C ATOM 1286 O GLU A 91 4.281 -5.758 3.347 1.00 0.00 O ATOM 1287 CB GLU A 91 4.496 -8.637 3.931 1.00 0.00 C ATOM 1288 CG GLU A 91 4.198 -10.104 4.188 1.00 0.00 C ATOM 1289 CD GLU A 91 5.238 -11.026 3.582 1.00 0.00 C ATOM 1290 OE1 GLU A 91 6.339 -11.141 4.159 1.00 0.00 O ATOM 1291 OE2 GLU A 91 4.951 -11.631 2.527 1.00 0.00 O ATOM 0 H GLU A 91 2.224 -8.454 2.983 1.00 0.00 H new ATOM 0 HA GLU A 91 3.274 -7.936 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.572 -8.473 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.467 -8.391 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.147 -10.277 5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.218 -10.349 3.778 1.00 0.00 H new ATOM 1298 N VAL A 92 3.976 -5.572 5.568 1.00 0.00 N ATOM 1299 CA VAL A 92 4.431 -4.189 5.626 1.00 0.00 C ATOM 1300 C VAL A 92 5.725 -4.003 4.841 1.00 0.00 C ATOM 1301 O VAL A 92 6.773 -4.530 5.217 1.00 0.00 O ATOM 1302 CB VAL A 92 4.654 -3.732 7.079 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.315 -2.361 7.113 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.338 -3.716 7.841 1.00 0.00 C ATOM 0 H VAL A 92 3.696 -5.961 6.468 1.00 0.00 H new ATOM 0 HA VAL A 92 3.647 -3.579 5.178 1.00 0.00 H new ATOM 0 HB VAL A 92 5.321 -4.443 7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.465 -2.055 8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.279 -2.409 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.676 -1.636 6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.515 -3.391 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.645 -3.028 7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.909 -4.718 7.847 1.00 0.00 H new ATOM 1314 N VAL A 93 5.646 -3.249 3.749 1.00 0.00 N ATOM 1315 CA VAL A 93 6.811 -2.992 2.912 1.00 0.00 C ATOM 1316 C VAL A 93 7.496 -1.689 3.309 1.00 0.00 C ATOM 1317 O VAL A 93 6.956 -0.604 3.103 1.00 0.00 O ATOM 1318 CB VAL A 93 6.427 -2.923 1.422 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.634 -2.546 0.575 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.837 -4.248 0.963 1.00 0.00 C ATOM 0 H VAL A 93 4.787 -2.806 3.424 1.00 0.00 H new ATOM 0 HA VAL A 93 7.500 -3.823 3.064 1.00 0.00 H new ATOM 0 HB VAL A 93 5.669 -2.150 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.343 -2.502 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.008 -1.572 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.417 -3.294 0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.571 -4.182 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.571 -5.041 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.945 -4.472 1.549 1.00 0.00 H new ATOM 1330 N ALA A 94 8.691 -1.806 3.879 1.00 0.00 N ATOM 1331 CA ALA A 94 9.452 -0.637 4.304 1.00 0.00 C ATOM 1332 C ALA A 94 10.183 -0.001 3.126 1.00 0.00 C ATOM 1333 O ALA A 94 10.523 -0.679 2.155 1.00 0.00 O ATOM 1334 CB ALA A 94 10.440 -1.019 5.396 1.00 0.00 C ATOM 0 H ALA A 94 9.153 -2.698 4.057 1.00 0.00 H new ATOM 0 HA ALA A 94 8.752 0.097 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.001 -0.137 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.898 -1.421 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.129 -1.773 5.016 1.00 0.00 H new ATOM 1340 N CYS A 95 10.420 1.303 3.218 1.00 0.00 N ATOM 1341 CA CYS A 95 11.109 2.032 2.159 1.00 0.00 C ATOM 1342 C CYS A 95 11.656 3.357 2.677 1.00 0.00 C ATOM 1343 O CYS A 95 10.928 4.151 3.272 1.00 0.00 O ATOM 1344 CB CYS A 95 10.162 2.282 0.984 1.00 0.00 C ATOM 1345 SG CYS A 95 8.993 3.634 1.253 1.00 0.00 S ATOM 0 H CYS A 95 10.145 1.877 4.015 1.00 0.00 H new ATOM 0 HA CYS A 95 11.946 1.423 1.819 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.753 2.499 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.604 1.368 0.781 1.00 0.00 H new ATOM 0 HG CYS A 95 9.570 4.576 1.938 1.00 0.00 H new ATOM 1351 N VAL A 96 12.946 3.588 2.449 1.00 0.00 N ATOM 1352 CA VAL A 96 13.592 4.818 2.895 1.00 0.00 C ATOM 1353 C VAL A 96 14.052 5.656 1.708 1.00 0.00 C ATOM 1354 O VAL A 96 14.966 5.271 0.977 1.00 0.00 O ATOM 1355 CB VAL A 96 14.802 4.519 3.799 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.506 5.809 4.192 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.366 3.744 5.034 1.00 0.00 C ATOM 0 H VAL A 96 13.563 2.941 1.959 1.00 0.00 H new ATOM 0 HA VAL A 96 12.851 5.378 3.466 1.00 0.00 H new ATOM 0 HB VAL A 96 15.507 3.903 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.359 5.578 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.853 6.322 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.812 6.452 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.234 3.541 5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.641 4.333 5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 96 13.910 2.802 4.730 1.00 0.00 H new ATOM 1367 N THR A 97 13.414 6.808 1.522 1.00 0.00 N ATOM 1368 CA THR A 97 13.758 7.703 0.423 1.00 0.00 C ATOM 1369 C THR A 97 15.225 8.109 0.484 1.00 0.00 C ATOM 1370 O THR A 97 15.822 8.215 1.557 1.00 0.00 O ATOM 1371 CB THR A 97 12.884 8.970 0.437 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.183 9.759 1.594 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.406 8.610 0.433 1.00 0.00 C ATOM 0 H THR A 97 12.657 7.143 2.118 1.00 0.00 H new ATOM 0 HA THR A 97 13.575 7.155 -0.501 1.00 0.00 H new ATOM 0 HB THR A 97 13.104 9.545 -0.463 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.380 10.247 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.809 9.522 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.174 8.035 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.174 8.015 1.316 1.00 0.00 H new ATOM 1381 N PRO A 98 15.824 8.347 -0.692 1.00 0.00 N ATOM 1382 CA PRO A 98 17.230 8.748 -0.799 1.00 0.00 C ATOM 1383 C PRO A 98 17.470 10.162 -0.281 1.00 0.00 C ATOM 1384 O PRO A 98 16.606 11.036 -0.368 1.00 0.00 O ATOM 1385 CB PRO A 98 17.507 8.675 -2.303 1.00 0.00 C ATOM 1386 CG PRO A 98 16.175 8.865 -2.943 1.00 0.00 C ATOM 1387 CD PRO A 98 15.174 8.241 -2.010 1.00 0.00 C ATOM 0 HA PRO A 98 17.882 8.112 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.210 9.448 -2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.946 7.716 -2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.962 9.923 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.142 8.391 -3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.221 8.769 -2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.970 7.204 -2.275 1.00 0.00 H new ATOM 1395 N PRO A 99 18.670 10.395 0.270 1.00 0.00 N ATOM 1396 CA PRO A 99 19.052 11.703 0.812 1.00 0.00 C ATOM 1397 C PRO A 99 19.241 12.750 -0.280 1.00 0.00 C ATOM 1398 O PRO A 99 19.820 12.470 -1.329 1.00 0.00 O ATOM 1399 CB PRO A 99 20.380 11.420 1.517 1.00 0.00 C ATOM 1400 CG PRO A 99 20.934 10.227 0.819 1.00 0.00 C ATOM 1401 CD PRO A 99 19.748 9.401 0.407 1.00 0.00 C ATOM 0 HA PRO A 99 18.284 12.113 1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.057 12.271 1.443 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.230 11.223 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.525 10.522 -0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.594 9.661 1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.931 8.875 -0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.505 8.646 1.154 1.00 0.00 H new ATOM 1409 N SER A 100 18.748 13.959 -0.027 1.00 0.00 N ATOM 1410 CA SER A 100 18.860 15.047 -0.990 1.00 0.00 C ATOM 1411 C SER A 100 20.005 15.984 -0.621 1.00 0.00 C ATOM 1412 O SER A 100 19.829 16.919 0.161 1.00 0.00 O ATOM 1413 CB SER A 100 17.547 15.830 -1.061 1.00 0.00 C ATOM 1414 OG SER A 100 17.683 16.978 -1.882 1.00 0.00 O ATOM 0 H SER A 100 18.267 14.209 0.837 1.00 0.00 H new ATOM 0 HA SER A 100 19.070 14.614 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.758 15.189 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.244 16.130 -0.058 1.00 0.00 H new ATOM 0 HG SER A 100 16.831 17.461 -1.913 1.00 0.00 H new