USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 728 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 39 GLN : amide:sc= -0.827 K(o=-1.1,f=-2.6!) USER MOD Set 1.2: A 105 HIS : no HD1:sc= -0.248 K(o=-1.1,f=-2.9) USER MOD Set 2.1: A 11 GLN :FLIP amide:sc= -11.3! C(o=-14!,f=-11!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 9 SER OG : rot 47:sc= -0.827! USER MOD Set 3.2: A 61 GLN :FLIP amide:sc= -1.16! F(o=-4,f=-2!) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= -0.568! (180deg=-1.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -8.62! C(o=-8.6!,f=-11!) USER MOD Single : A 18 ASN : amide:sc= -0.744 X(o=-0.74,f=-0.27) USER MOD Single : A 25 THR OG1 : rot 116:sc= 0.0139 USER MOD Single : A 26 SER OG : rot -99:sc= 0.269 USER MOD Single : A 28 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.3!) USER MOD Single : A 31 THR OG1 : rot 87:sc= 0.869 USER MOD Single : A 32 SER OG : rot -3:sc= 0.947 USER MOD Single : A 38 SER OG : rot -141:sc= -5.26! USER MOD Single : A 53 GLN : amide:sc= -2.44 K(o=-2.4,f=-6.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -147:sc= -8.61! (180deg=-10.6!) USER MOD Single : A 63 SER OG : rot 55:sc= 1.09 USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 0.0267 (180deg=0.0152) USER MOD Single : A 67 ASN : amide:sc= -0.082 K(o=-0.082,f=-2.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 166:sc= -4.74! USER MOD Single : A 82 ASN : amide:sc= -3.19! C(o=-3.2!,f=-2.8!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.583 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 165:sc= 0 (180deg=-0.218) USER MOD Single : A 100 SER OG : rot -74:sc= 0.883 USER MOD Single : A 106 TYR OH : rot -104:sc= -16.6! USER MOD ----------------------------------------------------------------- ATOM 16 N LYS A 2 -8.030 -10.407 15.457 1.00 1.00 N ATOM 17 CA LYS A 2 -7.500 -9.289 16.218 1.00 1.00 C ATOM 18 C LYS A 2 -6.047 -9.044 15.811 1.00 1.00 C ATOM 19 O LYS A 2 -5.144 -9.748 16.262 1.00 1.00 O ATOM 20 CB LYS A 2 -7.688 -9.523 17.718 1.00 1.00 C ATOM 21 CG LYS A 2 -8.358 -8.318 18.382 1.00 1.00 C ATOM 22 CD LYS A 2 -7.737 -8.031 19.751 1.00 1.00 C ATOM 23 CE LYS A 2 -7.161 -6.614 19.805 1.00 1.00 C ATOM 24 NZ LYS A 2 -6.554 -6.353 21.129 1.00 1.00 N ATOM 0 HA LYS A 2 -8.053 -8.378 15.990 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.295 -10.414 17.877 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -6.721 -9.708 18.185 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.256 -7.442 17.742 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.425 -8.507 18.495 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -8.491 -8.151 20.529 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -6.949 -8.756 19.956 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -6.411 -6.489 19.024 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -7.949 -5.887 19.610 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -6.352 -5.337 21.224 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -7.214 -6.646 21.877 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -5.669 -6.892 21.217 1.00 1.00 H new ATOM 38 N PRO A 3 -5.858 -8.017 14.939 1.00 1.00 N ATOM 39 CA PRO A 3 -4.529 -7.671 14.466 1.00 1.00 C ATOM 40 C PRO A 3 -3.733 -6.942 15.550 1.00 1.00 C ATOM 41 O PRO A 3 -3.071 -7.575 16.372 1.00 1.00 O ATOM 42 CB PRO A 3 -4.761 -6.821 13.227 1.00 1.00 C ATOM 43 CG PRO A 3 -6.199 -6.337 13.317 1.00 1.00 C ATOM 44 CD PRO A 3 -6.902 -7.161 14.382 1.00 1.00 C ATOM 0 HA PRO A 3 -3.928 -8.547 14.225 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -4.067 -5.981 13.194 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -4.601 -7.402 12.319 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -6.230 -5.278 13.572 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -6.700 -6.448 12.355 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.342 -6.524 15.149 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -7.712 -7.752 13.955 1.00 1.00 H new ATOM 52 N ALA A 4 -3.824 -5.620 15.519 1.00 1.00 N ATOM 53 CA ALA A 4 -3.121 -4.798 16.489 1.00 1.00 C ATOM 54 C ALA A 4 -3.515 -3.333 16.290 1.00 1.00 C ATOM 55 O ALA A 4 -3.711 -2.887 15.161 1.00 1.00 O ATOM 56 CB ALA A 4 -1.614 -5.021 16.351 1.00 1.00 C ATOM 0 H ALA A 4 -4.374 -5.098 14.837 1.00 1.00 H new ATOM 0 HA ALA A 4 -3.400 -5.079 17.505 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -1.087 -4.404 17.079 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -1.384 -6.071 16.531 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -1.296 -4.747 15.345 1.00 1.00 H new ATOM 62 N ALA A 5 -3.618 -2.625 17.405 1.00 1.00 N ATOM 63 CA ALA A 5 -3.985 -1.219 17.368 1.00 1.00 C ATOM 64 C ALA A 5 -2.935 -0.444 16.569 1.00 1.00 C ATOM 65 O ALA A 5 -3.240 0.589 15.973 1.00 1.00 O ATOM 66 CB ALA A 5 -4.137 -0.692 18.796 1.00 1.00 C ATOM 0 H ALA A 5 -3.454 -2.998 18.340 1.00 1.00 H new ATOM 0 HA ALA A 5 -4.945 -1.086 16.869 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.412 0.362 18.767 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.914 -1.256 19.311 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -3.193 -0.806 19.328 1.00 1.00 H new ATOM 72 N CYS A 6 -1.720 -0.971 16.581 1.00 1.00 N ATOM 73 CA CYS A 6 -0.622 -0.342 15.867 1.00 1.00 C ATOM 74 C CYS A 6 -0.934 -0.393 14.369 1.00 1.00 C ATOM 75 O CYS A 6 -0.282 0.282 13.573 1.00 1.00 O ATOM 76 CB CYS A 6 0.718 -1.001 16.193 1.00 1.00 C ATOM 77 SG CYS A 6 1.469 -0.473 17.776 1.00 1.00 S ATOM 0 H CYS A 6 -1.471 -1.828 17.075 1.00 1.00 H new ATOM 0 HA CYS A 6 -0.526 0.697 16.184 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.579 -2.082 16.216 1.00 1.00 H new ATOM 0 HB3 CYS A 6 1.418 -0.787 15.386 1.00 1.00 H new ATOM 82 N ARG A 7 -1.930 -1.198 14.031 1.00 1.00 N ATOM 83 CA ARG A 7 -2.335 -1.346 12.643 1.00 1.00 C ATOM 84 C ARG A 7 -3.758 -0.818 12.447 1.00 1.00 C ATOM 85 O ARG A 7 -4.386 -1.081 11.424 1.00 1.00 O ATOM 86 CB ARG A 7 -2.278 -2.810 12.206 1.00 1.00 C ATOM 87 CG ARG A 7 -1.538 -3.663 13.239 1.00 1.00 C ATOM 88 CD ARG A 7 -0.956 -4.923 12.595 1.00 1.00 C ATOM 89 NE ARG A 7 -1.368 -6.120 13.360 1.00 1.00 N ATOM 90 CZ ARG A 7 -0.683 -7.271 13.381 1.00 1.00 C ATOM 91 NH1 ARG A 7 0.453 -7.388 12.679 1.00 1.00 N ATOM 92 NH2 ARG A 7 -1.133 -8.305 14.104 1.00 1.00 N ATOM 0 H ARG A 7 -2.469 -1.755 14.694 1.00 1.00 H new ATOM 0 HA ARG A 7 -1.641 -0.769 12.032 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.290 -3.192 12.071 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -1.777 -2.886 11.241 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -0.737 -3.079 13.692 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -2.221 -3.943 14.041 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -1.298 -5.005 11.563 1.00 1.00 H new ATOM 0 HD3 ARG A 7 0.132 -4.857 12.566 1.00 1.00 H new ATOM 0 HE ARG A 7 -2.228 -6.066 13.906 1.00 1.00 H new ATOM 0 HH11 ARG A 7 0.796 -6.601 12.129 1.00 1.00 H new ATOM 0 HH12 ARG A 7 0.974 -8.264 12.695 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -1.997 -8.216 14.638 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -0.611 -9.181 14.120 1.00 1.00 H new ATOM 106 N CYS A 8 -4.224 -0.081 13.445 1.00 1.00 N ATOM 107 CA CYS A 8 -5.561 0.485 13.395 1.00 1.00 C ATOM 108 C CYS A 8 -5.478 1.950 13.833 1.00 1.00 C ATOM 109 O CYS A 8 -6.158 2.808 13.271 1.00 1.00 O ATOM 110 CB CYS A 8 -6.547 -0.311 14.254 1.00 1.00 C ATOM 111 SG CYS A 8 -6.374 -2.128 14.131 1.00 1.00 S ATOM 0 H CYS A 8 -3.700 0.137 14.292 1.00 1.00 H new ATOM 0 HA CYS A 8 -5.943 0.431 12.376 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.420 -0.017 15.296 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -7.562 -0.036 13.967 1.00 1.00 H new ATOM 116 N SER A 9 -4.640 2.190 14.829 1.00 1.00 N ATOM 117 CA SER A 9 -4.460 3.535 15.348 1.00 1.00 C ATOM 118 C SER A 9 -4.676 4.560 14.232 1.00 1.00 C ATOM 119 O SER A 9 -3.724 4.976 13.574 1.00 1.00 O ATOM 120 CB SER A 9 -3.070 3.707 15.964 1.00 1.00 C ATOM 121 OG SER A 9 -2.092 4.051 14.986 1.00 1.00 O ATOM 0 H SER A 9 -4.077 1.476 15.291 1.00 1.00 H new ATOM 0 HA SER A 9 -5.198 3.700 16.133 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.106 4.482 16.729 1.00 1.00 H new ATOM 0 HB3 SER A 9 -2.776 2.782 16.461 1.00 1.00 H new ATOM 0 HG SER A 9 -2.438 4.769 14.416 1.00 1.00 H new ATOM 127 N ARG A 10 -5.934 4.935 14.053 1.00 1.00 N ATOM 128 CA ARG A 10 -6.287 5.903 13.028 1.00 1.00 C ATOM 129 C ARG A 10 -5.562 5.579 11.719 1.00 1.00 C ATOM 130 O ARG A 10 -5.366 6.457 10.881 1.00 1.00 O ATOM 131 CB ARG A 10 -5.926 7.325 13.464 1.00 1.00 C ATOM 132 CG ARG A 10 -4.410 7.500 13.562 1.00 1.00 C ATOM 133 CD ARG A 10 -4.025 8.980 13.518 1.00 1.00 C ATOM 134 NE ARG A 10 -3.699 9.458 14.880 1.00 1.00 N ATOM 135 CZ ARG A 10 -2.616 9.078 15.571 1.00 1.00 C ATOM 136 NH1 ARG A 10 -1.748 8.211 15.031 1.00 1.00 N ATOM 137 NH2 ARG A 10 -2.401 9.564 16.800 1.00 1.00 N ATOM 0 H ARG A 10 -6.721 4.586 14.600 1.00 1.00 H new ATOM 0 HA ARG A 10 -7.365 5.845 12.875 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -6.333 8.042 12.751 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -6.384 7.540 14.430 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -4.048 7.054 14.488 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -3.925 6.970 12.742 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -3.169 9.122 12.859 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -4.846 9.566 13.105 1.00 1.00 H new ATOM 0 HE ARG A 10 -4.339 10.119 15.321 1.00 1.00 H new ATOM 0 HH11 ARG A 10 -1.912 7.841 14.095 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -0.923 7.921 15.556 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -3.062 10.224 17.210 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -1.576 9.274 17.326 1.00 1.00 H new ATOM 151 N GLN A 11 -5.185 4.315 11.587 1.00 1.00 N ATOM 152 CA GLN A 11 -4.486 3.865 10.395 1.00 1.00 C ATOM 153 C GLN A 11 -3.820 5.049 9.691 1.00 1.00 C ATOM 154 O GLN A 11 -2.681 5.398 10.002 1.00 1.00 O ATOM 155 CB GLN A 11 -5.436 3.129 9.448 1.00 1.00 C ATOM 156 CG GLN A 11 -5.342 1.614 9.647 1.00 1.00 C ATOM 157 CD GLN A 11 -5.043 0.906 8.323 1.00 1.00 C ATOM 158 OE1 GLN A 11 -5.013 -0.421 8.415 1.00 1.00 O flip ATOM 159 NE2 GLN A 11 -4.852 1.523 7.289 1.00 1.00 N flip ATOM 0 H GLN A 11 -5.350 3.590 12.285 1.00 1.00 H new ATOM 0 HA GLN A 11 -3.709 3.163 10.697 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -6.460 3.460 9.624 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -5.193 3.380 8.415 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -4.559 1.386 10.371 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -6.278 1.239 10.061 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -4.890 2.542 7.289 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -4.655 1.020 6.424 1.00 1.00 H new ATOM 168 N ASP A 12 -4.555 5.633 8.757 1.00 1.00 N ATOM 169 CA ASP A 12 -4.050 6.770 8.007 1.00 1.00 C ATOM 170 C ASP A 12 -4.954 7.979 8.251 1.00 1.00 C ATOM 171 O ASP A 12 -6.139 7.824 8.543 1.00 1.00 O ATOM 172 CB ASP A 12 -4.043 6.479 6.506 1.00 1.00 C ATOM 173 CG ASP A 12 -4.229 7.705 5.609 1.00 1.00 C ATOM 174 OD1 ASP A 12 -5.316 8.316 5.702 1.00 1.00 O ATOM 175 OD2 ASP A 12 -3.282 8.003 4.851 1.00 1.00 O ATOM 0 H ASP A 12 -5.498 5.340 8.502 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.031 6.969 8.340 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.099 5.999 6.249 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.835 5.763 6.286 1.00 1.00 H new ATOM 180 N PRO A 13 -4.345 9.188 8.120 1.00 1.00 N ATOM 181 CA PRO A 13 -5.081 10.423 8.323 1.00 1.00 C ATOM 182 C PRO A 13 -5.998 10.718 7.133 1.00 1.00 C ATOM 183 O PRO A 13 -5.673 11.548 6.286 1.00 1.00 O ATOM 184 CB PRO A 13 -4.016 11.488 8.530 1.00 1.00 C ATOM 185 CG PRO A 13 -2.728 10.901 7.975 1.00 1.00 C ATOM 186 CD PRO A 13 -2.943 9.409 7.776 1.00 1.00 C ATOM 0 HA PRO A 13 -5.750 10.376 9.182 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -4.280 12.410 8.013 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -3.910 11.734 9.586 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -2.467 11.378 7.030 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -1.900 11.079 8.662 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -2.736 9.113 6.748 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -2.281 8.825 8.415 1.00 1.00 H new ATOM 194 N LYS A 14 -7.124 10.020 7.108 1.00 1.00 N ATOM 195 CA LYS A 14 -8.089 10.195 6.036 1.00 1.00 C ATOM 196 C LYS A 14 -7.623 9.418 4.804 1.00 1.00 C ATOM 197 O LYS A 14 -6.752 9.877 4.068 1.00 1.00 O ATOM 198 CB LYS A 14 -8.328 11.683 5.770 1.00 1.00 C ATOM 199 CG LYS A 14 -9.715 11.914 5.164 1.00 1.00 C ATOM 200 CD LYS A 14 -9.606 12.448 3.734 1.00 1.00 C ATOM 201 CE LYS A 14 -10.786 13.360 3.398 1.00 1.00 C ATOM 202 NZ LYS A 14 -10.414 14.320 2.334 1.00 1.00 N ATOM 0 H LYS A 14 -7.390 9.332 7.813 1.00 1.00 H new ATOM 0 HA LYS A 14 -9.057 9.785 6.324 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -8.236 12.242 6.701 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -7.563 12.063 5.093 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.277 10.980 5.165 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -10.271 12.621 5.779 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -8.672 12.998 3.618 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -9.575 11.615 3.032 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -11.636 12.760 3.073 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -11.100 13.901 4.290 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -11.227 14.931 2.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -9.617 14.905 2.657 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -10.136 13.799 1.478 1.00 1.00 H new ATOM 216 N ASN A 15 -8.225 8.252 4.617 1.00 1.00 N ATOM 217 CA ASN A 15 -7.884 7.406 3.487 1.00 1.00 C ATOM 218 C ASN A 15 -9.165 6.971 2.774 1.00 1.00 C ATOM 219 O ASN A 15 -9.112 6.294 1.748 1.00 1.00 O ATOM 220 CB ASN A 15 -7.146 6.146 3.944 1.00 1.00 C ATOM 221 CG ASN A 15 -5.641 6.273 3.700 1.00 1.00 C ATOM 222 OD1 ASN A 15 -5.144 7.285 3.235 1.00 1.00 O ATOM 223 ND2 ASN A 15 -4.945 5.191 4.040 1.00 1.00 N ATOM 0 H ASN A 15 -8.947 7.874 5.230 1.00 1.00 H new ATOM 0 HA ASN A 15 -7.240 7.980 2.821 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -7.333 5.975 5.004 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -7.533 5.279 3.408 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -3.933 5.176 3.916 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -5.424 4.377 4.424 1.00 1.00 H new ATOM 230 N ARG A 16 -10.290 7.376 3.347 1.00 1.00 N ATOM 231 CA ARG A 16 -11.583 7.037 2.780 1.00 1.00 C ATOM 232 C ARG A 16 -11.800 5.523 2.821 1.00 1.00 C ATOM 233 O ARG A 16 -12.762 5.014 2.249 1.00 1.00 O ATOM 234 CB ARG A 16 -11.695 7.521 1.333 1.00 1.00 C ATOM 235 CG ARG A 16 -13.157 7.736 0.938 1.00 1.00 C ATOM 236 CD ARG A 16 -13.543 9.213 1.048 1.00 1.00 C ATOM 237 NE ARG A 16 -13.159 9.930 -0.187 1.00 1.00 N ATOM 238 CZ ARG A 16 -13.838 9.855 -1.341 1.00 1.00 C ATOM 239 NH1 ARG A 16 -14.937 9.094 -1.423 1.00 1.00 N ATOM 240 NH2 ARG A 16 -13.416 10.542 -2.412 1.00 1.00 N ATOM 0 H ARG A 16 -10.332 7.936 4.199 1.00 1.00 H new ATOM 0 HA ARG A 16 -12.347 7.534 3.378 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -11.142 8.452 1.214 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -11.238 6.791 0.665 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -13.316 7.390 -0.083 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -13.803 7.139 1.581 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -14.616 9.305 1.213 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -13.048 9.663 1.908 1.00 1.00 H new ATOM 0 HE ARG A 16 -12.326 10.518 -0.159 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -15.258 8.572 -0.608 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -15.453 9.037 -2.301 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -12.579 11.121 -2.349 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -13.932 10.485 -3.290 1.00 1.00 H new ATOM 254 N VAL A 17 -10.889 4.845 3.505 1.00 1.00 N ATOM 255 CA VAL A 17 -10.969 3.399 3.629 1.00 1.00 C ATOM 256 C VAL A 17 -12.238 3.028 4.399 1.00 1.00 C ATOM 257 O VAL A 17 -12.881 3.889 4.996 1.00 1.00 O ATOM 258 CB VAL A 17 -9.695 2.859 4.281 1.00 1.00 C ATOM 259 CG1 VAL A 17 -9.987 1.596 5.092 1.00 1.00 C ATOM 260 CG2 VAL A 17 -8.611 2.599 3.232 1.00 1.00 C ATOM 0 H VAL A 17 -10.092 5.270 3.979 1.00 1.00 H new ATOM 0 HA VAL A 17 -11.037 2.934 2.646 1.00 1.00 H new ATOM 0 HB VAL A 17 -9.322 3.619 4.968 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -9.064 1.233 5.545 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -10.710 1.825 5.875 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -10.395 0.828 4.435 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -7.716 2.216 3.721 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -8.972 1.867 2.510 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -8.373 3.529 2.717 1.00 1.00 H new ATOM 270 N ASN A 18 -12.560 1.743 4.360 1.00 1.00 N ATOM 271 CA ASN A 18 -13.741 1.245 5.046 1.00 1.00 C ATOM 272 C ASN A 18 -13.759 -0.283 4.979 1.00 1.00 C ATOM 273 O ASN A 18 -13.588 -0.863 3.908 1.00 1.00 O ATOM 274 CB ASN A 18 -15.020 1.763 4.387 1.00 1.00 C ATOM 275 CG ASN A 18 -14.873 1.808 2.864 1.00 1.00 C ATOM 276 OD1 ASN A 18 -14.162 1.021 2.260 1.00 1.00 O ATOM 277 ND2 ASN A 18 -15.582 2.769 2.280 1.00 1.00 N ATOM 0 H ASN A 18 -12.023 1.031 3.864 1.00 1.00 H new ATOM 0 HA ASN A 18 -13.702 1.592 6.079 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -15.858 1.120 4.656 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -15.249 2.760 4.763 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -15.551 2.881 1.267 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -16.157 3.394 2.845 1.00 1.00 H new ATOM 284 N CYS A 19 -13.967 -0.892 6.137 1.00 1.00 N ATOM 285 CA CYS A 19 -14.009 -2.342 6.224 1.00 1.00 C ATOM 286 C CYS A 19 -15.125 -2.733 7.195 1.00 1.00 C ATOM 287 O CYS A 19 -15.057 -3.781 7.835 1.00 1.00 O ATOM 288 CB CYS A 19 -12.658 -2.923 6.642 1.00 1.00 C ATOM 289 SG CYS A 19 -12.444 -4.704 6.281 1.00 1.00 S ATOM 0 H CYS A 19 -14.108 -0.408 7.023 1.00 1.00 H new ATOM 0 HA CYS A 19 -14.221 -2.762 5.241 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -11.868 -2.367 6.138 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -12.526 -2.765 7.712 1.00 1.00 H new ATOM 294 N GLY A 20 -16.126 -1.868 7.276 1.00 1.00 N ATOM 295 CA GLY A 20 -17.254 -2.110 8.159 1.00 1.00 C ATOM 296 C GLY A 20 -18.398 -1.136 7.866 1.00 1.00 C ATOM 297 O GLY A 20 -18.515 -0.627 6.753 1.00 1.00 O ATOM 0 H GLY A 20 -16.179 -0.999 6.745 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -17.604 -3.135 8.036 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -16.938 -2.004 9.197 1.00 1.00 H new ATOM 301 N PHE A 21 -19.212 -0.906 8.887 1.00 1.00 N ATOM 302 CA PHE A 21 -20.341 -0.002 8.753 1.00 1.00 C ATOM 303 C PHE A 21 -20.320 1.067 9.846 1.00 1.00 C ATOM 304 O PHE A 21 -19.626 0.920 10.852 1.00 1.00 O ATOM 305 CB PHE A 21 -21.609 -0.845 8.906 1.00 1.00 C ATOM 306 CG PHE A 21 -21.461 -2.022 9.873 1.00 1.00 C ATOM 307 CD1 PHE A 21 -20.626 -3.051 9.569 1.00 1.00 C ATOM 308 CD2 PHE A 21 -22.165 -2.038 11.037 1.00 1.00 C ATOM 309 CE1 PHE A 21 -20.489 -4.143 10.466 1.00 1.00 C ATOM 310 CE2 PHE A 21 -22.028 -3.130 11.933 1.00 1.00 C ATOM 311 CZ PHE A 21 -21.193 -4.159 11.629 1.00 1.00 C ATOM 0 H PHE A 21 -19.112 -1.330 9.809 1.00 1.00 H new ATOM 0 HA PHE A 21 -20.301 0.503 7.788 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -22.420 -0.204 9.252 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -21.900 -1.227 7.927 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -20.067 -3.038 8.645 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -22.828 -1.220 11.279 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -19.826 -4.961 10.225 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -22.587 -3.144 12.857 1.00 1.00 H new ATOM 0 HZ PHE A 21 -21.089 -4.989 12.312 1.00 1.00 H new ATOM 321 N PRO A 22 -21.108 2.150 9.608 1.00 1.00 N ATOM 322 CA PRO A 22 -21.186 3.244 10.561 1.00 1.00 C ATOM 323 C PRO A 22 -22.030 2.855 11.776 1.00 1.00 C ATOM 324 O PRO A 22 -22.202 3.650 12.698 1.00 1.00 O ATOM 325 CB PRO A 22 -21.774 4.407 9.778 1.00 1.00 C ATOM 326 CG PRO A 22 -22.433 3.793 8.552 1.00 1.00 C ATOM 327 CD PRO A 22 -21.943 2.360 8.429 1.00 1.00 C ATOM 0 HA PRO A 22 -20.213 3.510 10.975 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -22.500 4.955 10.379 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -20.998 5.116 9.490 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -23.518 3.818 8.649 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -22.179 4.361 7.657 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -22.776 1.658 8.404 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -21.375 2.213 7.510 1.00 1.00 H new ATOM 335 N GLY A 23 -22.535 1.630 11.737 1.00 1.00 N ATOM 336 CA GLY A 23 -23.357 1.125 12.824 1.00 1.00 C ATOM 337 C GLY A 23 -22.657 -0.024 13.552 1.00 1.00 C ATOM 338 O GLY A 23 -23.290 -0.767 14.301 1.00 1.00 O ATOM 0 H GLY A 23 -22.391 0.973 10.970 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -23.570 1.930 13.528 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -24.314 0.782 12.432 1.00 1.00 H new ATOM 342 N ILE A 24 -21.359 -0.133 13.309 1.00 1.00 N ATOM 343 CA ILE A 24 -20.566 -1.178 13.933 1.00 1.00 C ATOM 344 C ILE A 24 -20.391 -0.862 15.420 1.00 1.00 C ATOM 345 O ILE A 24 -20.915 0.137 15.910 1.00 1.00 O ATOM 346 CB ILE A 24 -19.245 -1.368 13.185 1.00 1.00 C ATOM 347 CG1 ILE A 24 -18.644 -2.745 13.474 1.00 1.00 C ATOM 348 CG2 ILE A 24 -18.267 -0.236 13.505 1.00 1.00 C ATOM 349 CD1 ILE A 24 -18.108 -3.389 12.193 1.00 1.00 C ATOM 0 H ILE A 24 -20.837 0.485 12.688 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.082 -2.136 13.869 1.00 1.00 H new ATOM 0 HB ILE A 24 -19.448 -1.325 12.115 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -17.838 -2.649 14.202 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.401 -3.390 13.920 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -17.336 -0.395 12.961 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -18.704 0.717 13.207 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.064 -0.223 14.576 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -17.686 -4.367 12.426 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -18.921 -3.506 11.477 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -17.334 -2.753 11.763 1.00 1.00 H new ATOM 361 N THR A 25 -19.652 -1.730 16.094 1.00 1.00 N ATOM 362 CA THR A 25 -19.401 -1.554 17.514 1.00 1.00 C ATOM 363 C THR A 25 -17.899 -1.603 17.801 1.00 1.00 C ATOM 364 O THR A 25 -17.367 -0.740 18.498 1.00 1.00 O ATOM 365 CB THR A 25 -20.199 -2.619 18.270 1.00 1.00 C ATOM 366 OG1 THR A 25 -19.485 -3.828 18.023 1.00 1.00 O ATOM 367 CG2 THR A 25 -21.577 -2.867 17.653 1.00 1.00 C ATOM 0 H THR A 25 -19.219 -2.557 15.683 1.00 1.00 H new ATOM 0 HA THR A 25 -19.733 -0.574 17.856 1.00 1.00 H new ATOM 0 HB THR A 25 -20.317 -2.314 19.310 1.00 1.00 H new ATOM 0 HG1 THR A 25 -19.123 -4.172 18.866 1.00 1.00 H new ATOM 0 HG21 THR A 25 -22.101 -3.631 18.228 1.00 1.00 H new ATOM 0 HG22 THR A 25 -22.154 -1.942 17.668 1.00 1.00 H new ATOM 0 HG23 THR A 25 -21.459 -3.205 16.623 1.00 1.00 H new ATOM 375 N SER A 26 -17.257 -2.623 17.249 1.00 1.00 N ATOM 376 CA SER A 26 -15.826 -2.795 17.436 1.00 1.00 C ATOM 377 C SER A 26 -15.464 -4.280 17.363 1.00 1.00 C ATOM 378 O SER A 26 -14.928 -4.744 16.358 1.00 1.00 O ATOM 379 CB SER A 26 -15.370 -2.203 18.771 1.00 1.00 C ATOM 380 OG SER A 26 -16.305 -2.457 19.816 1.00 1.00 O ATOM 0 H SER A 26 -17.701 -3.338 16.673 1.00 1.00 H new ATOM 0 HA SER A 26 -15.310 -2.262 16.638 1.00 1.00 H new ATOM 0 HB2 SER A 26 -14.401 -2.623 19.042 1.00 1.00 H new ATOM 0 HB3 SER A 26 -15.232 -1.127 18.662 1.00 1.00 H new ATOM 0 HG SER A 26 -16.863 -1.664 19.956 1.00 1.00 H new ATOM 386 N ASP A 27 -15.773 -4.985 18.443 1.00 1.00 N ATOM 387 CA ASP A 27 -15.487 -6.408 18.514 1.00 1.00 C ATOM 388 C ASP A 27 -15.817 -7.058 17.168 1.00 1.00 C ATOM 389 O ASP A 27 -14.974 -7.730 16.576 1.00 1.00 O ATOM 390 CB ASP A 27 -16.338 -7.087 19.588 1.00 1.00 C ATOM 391 CG ASP A 27 -17.810 -6.672 19.606 1.00 1.00 C ATOM 392 OD1 ASP A 27 -18.064 -5.497 19.950 1.00 1.00 O ATOM 393 OD2 ASP A 27 -18.648 -7.539 19.276 1.00 1.00 O ATOM 0 H ASP A 27 -16.218 -4.597 19.275 1.00 1.00 H new ATOM 0 HA ASP A 27 -14.432 -6.528 18.760 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -16.282 -8.166 19.446 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -15.904 -6.872 20.564 1.00 1.00 H new ATOM 398 N GLN A 28 -17.046 -6.835 16.725 1.00 1.00 N ATOM 399 CA GLN A 28 -17.498 -7.390 15.461 1.00 1.00 C ATOM 400 C GLN A 28 -16.557 -6.969 14.330 1.00 1.00 C ATOM 401 O GLN A 28 -16.395 -7.695 13.350 1.00 1.00 O ATOM 402 CB GLN A 28 -18.938 -6.971 15.161 1.00 1.00 C ATOM 403 CG GLN A 28 -19.905 -7.556 16.193 1.00 1.00 C ATOM 404 CD GLN A 28 -20.438 -8.915 15.735 1.00 1.00 C ATOM 405 OE1 GLN A 28 -20.375 -9.275 14.570 1.00 1.00 O ATOM 406 NE2 GLN A 28 -20.963 -9.647 16.713 1.00 1.00 N ATOM 0 H GLN A 28 -17.743 -6.277 17.219 1.00 1.00 H new ATOM 0 HA GLN A 28 -17.480 -8.477 15.537 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -19.012 -5.884 15.163 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -19.218 -7.308 14.163 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -19.398 -7.664 17.152 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -20.737 -6.869 16.348 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -20.984 -9.285 17.666 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -21.345 -10.571 16.510 1.00 1.00 H new ATOM 415 N CYS A 29 -15.962 -5.798 14.503 1.00 1.00 N ATOM 416 CA CYS A 29 -15.042 -5.272 13.509 1.00 1.00 C ATOM 417 C CYS A 29 -13.671 -5.913 13.736 1.00 1.00 C ATOM 418 O CYS A 29 -12.972 -6.245 12.781 1.00 1.00 O ATOM 419 CB CYS A 29 -14.973 -3.744 13.555 1.00 1.00 C ATOM 420 SG CYS A 29 -14.634 -2.943 11.945 1.00 1.00 S ATOM 0 H CYS A 29 -16.099 -5.199 15.317 1.00 1.00 H new ATOM 0 HA CYS A 29 -15.398 -5.524 12.510 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -15.918 -3.363 13.943 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.197 -3.450 14.262 1.00 1.00 H new ATOM 425 N PHE A 30 -13.329 -6.065 15.006 1.00 1.00 N ATOM 426 CA PHE A 30 -12.054 -6.660 15.371 1.00 1.00 C ATOM 427 C PHE A 30 -12.084 -8.179 15.187 1.00 1.00 C ATOM 428 O PHE A 30 -11.042 -8.831 15.205 1.00 1.00 O ATOM 429 CB PHE A 30 -11.819 -6.342 16.850 1.00 1.00 C ATOM 430 CG PHE A 30 -11.140 -4.993 17.095 1.00 1.00 C ATOM 431 CD1 PHE A 30 -11.823 -3.838 16.872 1.00 1.00 C ATOM 432 CD2 PHE A 30 -9.855 -4.948 17.538 1.00 1.00 C ATOM 433 CE1 PHE A 30 -11.193 -2.585 17.101 1.00 1.00 C ATOM 434 CE2 PHE A 30 -9.226 -3.695 17.766 1.00 1.00 C ATOM 435 CZ PHE A 30 -9.909 -2.541 17.542 1.00 1.00 C ATOM 0 H PHE A 30 -13.912 -5.787 15.796 1.00 1.00 H new ATOM 0 HA PHE A 30 -11.262 -6.260 14.737 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -12.776 -6.355 17.371 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -11.207 -7.130 17.288 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -12.844 -3.873 16.521 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -9.313 -5.865 17.716 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -11.735 -1.668 16.924 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -8.205 -3.659 18.117 1.00 1.00 H new ATOM 0 HZ PHE A 30 -9.430 -1.588 17.715 1.00 1.00 H new ATOM 445 N THR A 31 -13.292 -8.697 15.016 1.00 1.00 N ATOM 446 CA THR A 31 -13.472 -10.127 14.830 1.00 1.00 C ATOM 447 C THR A 31 -13.694 -10.448 13.349 1.00 1.00 C ATOM 448 O THR A 31 -13.666 -11.611 12.952 1.00 1.00 O ATOM 449 CB THR A 31 -14.624 -10.580 15.729 1.00 1.00 C ATOM 450 OG1 THR A 31 -14.319 -10.008 16.998 1.00 1.00 O ATOM 451 CG2 THR A 31 -14.607 -12.088 15.987 1.00 1.00 C ATOM 0 H THR A 31 -14.154 -8.153 15.002 1.00 1.00 H new ATOM 0 HA THR A 31 -12.578 -10.679 15.120 1.00 1.00 H new ATOM 0 HB THR A 31 -15.573 -10.300 15.272 1.00 1.00 H new ATOM 0 HG1 THR A 31 -14.680 -9.098 17.042 1.00 1.00 H new ATOM 0 HG21 THR A 31 -15.445 -12.357 16.630 1.00 1.00 H new ATOM 0 HG22 THR A 31 -14.692 -12.620 15.040 1.00 1.00 H new ATOM 0 HG23 THR A 31 -13.672 -12.363 16.475 1.00 1.00 H new ATOM 459 N SER A 32 -13.909 -9.395 12.575 1.00 1.00 N ATOM 460 CA SER A 32 -14.136 -9.549 11.148 1.00 1.00 C ATOM 461 C SER A 32 -12.821 -9.373 10.387 1.00 1.00 C ATOM 462 O SER A 32 -12.826 -9.091 9.190 1.00 1.00 O ATOM 463 CB SER A 32 -15.179 -8.550 10.645 1.00 1.00 C ATOM 464 OG SER A 32 -15.145 -8.411 9.227 1.00 1.00 O ATOM 0 H SER A 32 -13.931 -8.431 12.909 1.00 1.00 H new ATOM 0 HA SER A 32 -14.520 -10.553 10.969 1.00 1.00 H new ATOM 0 HB2 SER A 32 -16.172 -8.877 10.954 1.00 1.00 H new ATOM 0 HB3 SER A 32 -15.004 -7.579 11.109 1.00 1.00 H new ATOM 0 HG SER A 32 -14.412 -8.950 8.863 1.00 1.00 H new ATOM 470 N GLY A 33 -11.726 -9.545 11.113 1.00 1.00 N ATOM 471 CA GLY A 33 -10.406 -9.409 10.521 1.00 1.00 C ATOM 472 C GLY A 33 -10.142 -7.962 10.098 1.00 1.00 C ATOM 473 O GLY A 33 -9.139 -7.675 9.447 1.00 1.00 O ATOM 0 H GLY A 33 -11.726 -9.777 12.106 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -9.648 -9.727 11.237 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.322 -10.066 9.655 1.00 1.00 H new ATOM 477 N CYS A 34 -11.061 -7.089 10.486 1.00 1.00 N ATOM 478 CA CYS A 34 -10.940 -5.679 10.155 1.00 1.00 C ATOM 479 C CYS A 34 -10.642 -4.908 11.442 1.00 1.00 C ATOM 480 O CYS A 34 -10.811 -5.436 12.540 1.00 1.00 O ATOM 481 CB CYS A 34 -12.193 -5.154 9.451 1.00 1.00 C ATOM 482 SG CYS A 34 -12.508 -5.881 7.802 1.00 1.00 S ATOM 0 H CYS A 34 -11.892 -7.331 11.026 1.00 1.00 H new ATOM 0 HA CYS A 34 -10.121 -5.537 9.450 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -13.057 -5.344 10.088 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -12.107 -4.073 9.345 1.00 1.00 H new ATOM 487 N CYS A 35 -10.205 -3.669 11.264 1.00 1.00 N ATOM 488 CA CYS A 35 -9.882 -2.820 12.398 1.00 1.00 C ATOM 489 C CYS A 35 -11.004 -1.793 12.563 1.00 1.00 C ATOM 490 O CYS A 35 -11.792 -1.575 11.644 1.00 1.00 O ATOM 491 CB CYS A 35 -8.516 -2.151 12.233 1.00 1.00 C ATOM 492 SG CYS A 35 -7.085 -3.222 12.626 1.00 1.00 S ATOM 0 H CYS A 35 -10.067 -3.234 10.352 1.00 1.00 H new ATOM 0 HA CYS A 35 -9.809 -3.426 13.301 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -8.420 -1.802 11.205 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -8.479 -1.270 12.873 1.00 1.00 H new ATOM 497 N PHE A 36 -11.040 -1.187 13.741 1.00 1.00 N ATOM 498 CA PHE A 36 -12.052 -0.189 14.038 1.00 1.00 C ATOM 499 C PHE A 36 -11.530 0.840 15.043 1.00 1.00 C ATOM 500 O PHE A 36 -11.277 0.509 16.201 1.00 1.00 O ATOM 501 CB PHE A 36 -13.243 -0.927 14.655 1.00 1.00 C ATOM 502 CG PHE A 36 -14.235 -0.014 15.378 1.00 1.00 C ATOM 503 CD1 PHE A 36 -15.069 0.786 14.663 1.00 1.00 C ATOM 504 CD2 PHE A 36 -14.281 -0.002 16.737 1.00 1.00 C ATOM 505 CE1 PHE A 36 -15.991 1.633 15.335 1.00 1.00 C ATOM 506 CE2 PHE A 36 -15.201 0.845 17.409 1.00 1.00 C ATOM 507 CZ PHE A 36 -16.037 1.644 16.694 1.00 1.00 C ATOM 0 H PHE A 36 -10.384 -1.369 14.501 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.329 0.341 13.127 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.769 -1.467 13.868 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.871 -1.671 15.359 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -15.031 0.778 13.584 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -13.617 -0.637 17.305 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -16.655 2.268 14.767 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -15.237 0.855 18.488 1.00 1.00 H new ATOM 0 HZ PHE A 36 -16.738 2.287 17.205 1.00 1.00 H new ATOM 517 N ASP A 37 -11.383 2.066 14.565 1.00 1.00 N ATOM 518 CA ASP A 37 -10.894 3.145 15.407 1.00 1.00 C ATOM 519 C ASP A 37 -12.071 4.023 15.837 1.00 1.00 C ATOM 520 O ASP A 37 -12.554 3.914 16.963 1.00 1.00 O ATOM 521 CB ASP A 37 -9.898 4.026 14.652 1.00 1.00 C ATOM 522 CG ASP A 37 -9.760 5.452 15.187 1.00 1.00 C ATOM 523 OD1 ASP A 37 -8.944 5.634 16.115 1.00 1.00 O ATOM 524 OD2 ASP A 37 -10.476 6.330 14.655 1.00 1.00 O ATOM 0 H ASP A 37 -11.594 2.337 13.605 1.00 1.00 H new ATOM 0 HA ASP A 37 -10.399 2.701 16.270 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -8.919 3.547 14.680 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -10.199 4.074 13.606 1.00 1.00 H new ATOM 529 N SER A 38 -12.500 4.876 14.917 1.00 1.00 N ATOM 530 CA SER A 38 -13.610 5.772 15.186 1.00 1.00 C ATOM 531 C SER A 38 -13.096 7.068 15.816 1.00 1.00 C ATOM 532 O SER A 38 -13.720 8.120 15.680 1.00 1.00 O ATOM 533 CB SER A 38 -14.643 5.111 16.101 1.00 1.00 C ATOM 534 OG SER A 38 -14.668 3.695 15.942 1.00 1.00 O ATOM 0 H SER A 38 -12.097 4.965 13.984 1.00 1.00 H new ATOM 0 HA SER A 38 -14.098 6.004 14.240 1.00 1.00 H new ATOM 0 HB2 SER A 38 -14.417 5.355 17.139 1.00 1.00 H new ATOM 0 HB3 SER A 38 -15.631 5.518 15.886 1.00 1.00 H new ATOM 0 HG SER A 38 -15.594 3.377 15.985 1.00 1.00 H new ATOM 540 N GLN A 39 -11.962 6.951 16.492 1.00 1.00 N ATOM 541 CA GLN A 39 -11.356 8.100 17.143 1.00 1.00 C ATOM 542 C GLN A 39 -11.431 9.327 16.232 1.00 1.00 C ATOM 543 O GLN A 39 -11.358 10.461 16.704 1.00 1.00 O ATOM 544 CB GLN A 39 -9.910 7.804 17.546 1.00 1.00 C ATOM 545 CG GLN A 39 -9.848 6.667 18.568 1.00 1.00 C ATOM 546 CD GLN A 39 -8.566 6.747 19.399 1.00 1.00 C ATOM 547 OE1 GLN A 39 -8.537 6.425 20.575 1.00 1.00 O ATOM 548 NE2 GLN A 39 -7.510 7.192 18.723 1.00 1.00 N ATOM 0 H GLN A 39 -11.447 6.078 16.603 1.00 1.00 H new ATOM 0 HA GLN A 39 -11.915 8.313 18.054 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -9.330 7.536 16.663 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -9.455 8.701 17.966 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.716 6.717 19.226 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -9.893 5.707 18.053 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -7.604 7.445 17.739 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -6.607 7.281 19.189 1.00 1.00 H new ATOM 557 N VAL A 40 -11.578 9.060 14.942 1.00 1.00 N ATOM 558 CA VAL A 40 -11.663 10.127 13.961 1.00 1.00 C ATOM 559 C VAL A 40 -13.110 10.256 13.480 1.00 1.00 C ATOM 560 O VAL A 40 -13.568 9.464 12.658 1.00 1.00 O ATOM 561 CB VAL A 40 -10.675 9.871 12.822 1.00 1.00 C ATOM 562 CG1 VAL A 40 -10.805 10.939 11.733 1.00 1.00 C ATOM 563 CG2 VAL A 40 -9.241 9.796 13.347 1.00 1.00 C ATOM 0 H VAL A 40 -11.640 8.119 14.554 1.00 1.00 H new ATOM 0 HA VAL A 40 -11.382 11.081 14.408 1.00 1.00 H new ATOM 0 HB VAL A 40 -10.920 8.907 12.377 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -10.091 10.734 10.935 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -11.817 10.924 11.328 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -10.599 11.921 12.160 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -8.559 9.613 12.517 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -8.981 10.738 13.830 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -9.160 8.983 14.069 1.00 1.00 H new ATOM 573 N PRO A 41 -13.808 11.288 14.027 1.00 1.00 N ATOM 574 CA PRO A 41 -15.193 11.531 13.663 1.00 1.00 C ATOM 575 C PRO A 41 -15.292 12.158 12.270 1.00 1.00 C ATOM 576 O PRO A 41 -14.622 13.149 11.983 1.00 1.00 O ATOM 577 CB PRO A 41 -15.736 12.433 14.760 1.00 1.00 C ATOM 578 CG PRO A 41 -14.520 13.037 15.443 1.00 1.00 C ATOM 579 CD PRO A 41 -13.298 12.245 15.004 1.00 1.00 C ATOM 0 HA PRO A 41 -15.777 10.613 13.595 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -16.377 13.211 14.345 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -16.340 11.866 15.468 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -14.412 14.087 15.172 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -14.632 12.997 16.527 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -12.542 12.895 14.564 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -12.830 11.738 15.848 1.00 1.00 H new ATOM 587 N GLY A 42 -16.132 11.555 11.442 1.00 1.00 N ATOM 588 CA GLY A 42 -16.326 12.041 10.087 1.00 1.00 C ATOM 589 C GLY A 42 -15.754 11.057 9.064 1.00 1.00 C ATOM 590 O GLY A 42 -16.365 10.811 8.025 1.00 1.00 O ATOM 0 H GLY A 42 -16.686 10.734 11.684 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -17.389 12.189 9.899 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -15.843 13.012 9.972 1.00 1.00 H new ATOM 594 N VAL A 43 -14.588 10.521 9.394 1.00 1.00 N ATOM 595 CA VAL A 43 -13.927 9.570 8.517 1.00 1.00 C ATOM 596 C VAL A 43 -14.427 8.159 8.832 1.00 1.00 C ATOM 597 O VAL A 43 -15.323 7.984 9.657 1.00 1.00 O ATOM 598 CB VAL A 43 -12.409 9.709 8.646 1.00 1.00 C ATOM 599 CG1 VAL A 43 -12.010 11.165 8.892 1.00 1.00 C ATOM 600 CG2 VAL A 43 -11.865 8.797 9.747 1.00 1.00 C ATOM 0 H VAL A 43 -14.084 10.727 10.257 1.00 1.00 H new ATOM 0 HA VAL A 43 -14.172 9.776 7.475 1.00 1.00 H new ATOM 0 HB VAL A 43 -11.963 9.395 7.702 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -10.926 11.235 8.980 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -12.347 11.781 8.058 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -12.472 11.518 9.814 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -10.784 8.916 9.817 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -12.322 9.064 10.700 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -12.101 7.760 9.510 1.00 1.00 H new ATOM 610 N PRO A 44 -13.810 7.163 8.142 1.00 1.00 N ATOM 611 CA PRO A 44 -14.184 5.773 8.339 1.00 1.00 C ATOM 612 C PRO A 44 -13.634 5.241 9.664 1.00 1.00 C ATOM 613 O PRO A 44 -12.429 5.291 9.905 1.00 1.00 O ATOM 614 CB PRO A 44 -13.628 5.040 7.129 1.00 1.00 C ATOM 615 CG PRO A 44 -12.571 5.958 6.535 1.00 1.00 C ATOM 616 CD PRO A 44 -12.745 7.333 7.157 1.00 1.00 C ATOM 0 HA PRO A 44 -15.263 5.634 8.411 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -13.196 4.082 7.417 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -14.415 4.830 6.404 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -11.572 5.571 6.737 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -12.678 6.013 5.452 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -11.823 7.675 7.626 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -13.015 8.076 6.406 1.00 1.00 H new ATOM 624 N TRP A 45 -14.545 4.743 10.488 1.00 1.00 N ATOM 625 CA TRP A 45 -14.165 4.202 11.783 1.00 1.00 C ATOM 626 C TRP A 45 -13.678 2.767 11.571 1.00 1.00 C ATOM 627 O TRP A 45 -12.606 2.396 12.046 1.00 1.00 O ATOM 628 CB TRP A 45 -15.323 4.299 12.778 1.00 1.00 C ATOM 629 CG TRP A 45 -15.813 5.727 13.026 1.00 1.00 C ATOM 630 CD1 TRP A 45 -15.368 6.860 12.467 1.00 1.00 C ATOM 631 CD2 TRP A 45 -16.866 6.131 13.927 1.00 1.00 C ATOM 632 NE1 TRP A 45 -16.054 7.961 12.939 1.00 1.00 N ATOM 633 CE2 TRP A 45 -16.994 7.503 13.855 1.00 1.00 C ATOM 634 CE3 TRP A 45 -17.683 5.362 14.774 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -17.929 8.226 14.604 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -18.612 6.100 15.517 1.00 1.00 C ATOM 637 CH2 TRP A 45 -18.753 7.481 15.456 1.00 1.00 C ATOM 0 H TRP A 45 -15.544 4.703 10.285 1.00 1.00 H new ATOM 0 HA TRP A 45 -13.354 4.784 12.222 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -16.155 3.699 12.410 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -15.011 3.863 13.727 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -14.572 6.906 11.738 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -15.900 8.932 12.666 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -17.601 4.288 14.846 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -18.011 9.300 14.529 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -19.265 5.558 16.185 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -19.495 7.978 16.063 1.00 1.00 H new ATOM 648 N CYS A 46 -14.488 2.000 10.858 1.00 1.00 N ATOM 649 CA CYS A 46 -14.153 0.614 10.577 1.00 1.00 C ATOM 650 C CYS A 46 -13.347 0.568 9.277 1.00 1.00 C ATOM 651 O CYS A 46 -13.758 1.140 8.268 1.00 1.00 O ATOM 652 CB CYS A 46 -15.402 -0.267 10.506 1.00 1.00 C ATOM 653 SG CYS A 46 -15.824 -1.128 12.065 1.00 1.00 S ATOM 0 H CYS A 46 -15.376 2.312 10.466 1.00 1.00 H new ATOM 0 HA CYS A 46 -13.550 0.211 11.391 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -16.249 0.351 10.208 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -15.260 -1.012 9.723 1.00 1.00 H new ATOM 658 N PHE A 47 -12.215 -0.118 9.343 1.00 1.00 N ATOM 659 CA PHE A 47 -11.349 -0.246 8.184 1.00 1.00 C ATOM 660 C PHE A 47 -10.538 -1.542 8.247 1.00 1.00 C ATOM 661 O PHE A 47 -10.821 -2.417 9.064 1.00 1.00 O ATOM 662 CB PHE A 47 -10.388 0.945 8.212 1.00 1.00 C ATOM 663 CG PHE A 47 -9.971 1.376 9.619 1.00 1.00 C ATOM 664 CD1 PHE A 47 -9.781 0.442 10.589 1.00 1.00 C ATOM 665 CD2 PHE A 47 -9.791 2.694 9.900 1.00 1.00 C ATOM 666 CE1 PHE A 47 -9.395 0.843 11.895 1.00 1.00 C ATOM 667 CE2 PHE A 47 -9.404 3.095 11.206 1.00 1.00 C ATOM 668 CZ PHE A 47 -9.214 2.161 12.176 1.00 1.00 C ATOM 0 H PHE A 47 -11.878 -0.591 10.182 1.00 1.00 H new ATOM 0 HA PHE A 47 -11.946 -0.266 7.272 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -9.495 0.691 7.641 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -10.858 1.790 7.709 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -9.924 -0.605 10.366 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -9.942 3.436 9.130 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -9.245 0.101 12.665 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -9.261 4.142 11.429 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.919 2.466 13.169 1.00 1.00 H new ATOM 678 N LYS A 48 -9.547 -1.625 7.372 1.00 1.00 N ATOM 679 CA LYS A 48 -8.694 -2.800 7.316 1.00 1.00 C ATOM 680 C LYS A 48 -7.451 -2.562 8.177 1.00 1.00 C ATOM 681 O LYS A 48 -7.162 -1.430 8.558 1.00 1.00 O ATOM 682 CB LYS A 48 -8.377 -3.164 5.865 1.00 1.00 C ATOM 683 CG LYS A 48 -8.897 -2.091 4.904 1.00 1.00 C ATOM 684 CD LYS A 48 -7.928 -0.910 4.825 1.00 1.00 C ATOM 685 CE LYS A 48 -6.733 -1.240 3.927 1.00 1.00 C ATOM 686 NZ LYS A 48 -5.526 -0.519 4.386 1.00 1.00 N ATOM 0 H LYS A 48 -9.315 -0.897 6.696 1.00 1.00 H new ATOM 0 HA LYS A 48 -9.210 -3.666 7.731 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -7.300 -3.277 5.742 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -8.828 -4.126 5.621 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -9.033 -2.521 3.912 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -9.875 -1.742 5.237 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -8.448 -0.034 4.437 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -7.577 -0.656 5.825 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -6.548 -2.314 3.938 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -6.958 -0.965 2.896 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -4.725 -0.754 3.766 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -5.700 0.506 4.353 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -5.303 -0.801 5.362 1.00 1.00 H new ATOM 700 N PRO A 49 -6.730 -3.680 8.464 1.00 1.00 N ATOM 701 CA PRO A 49 -5.524 -3.604 9.272 1.00 1.00 C ATOM 702 C PRO A 49 -4.361 -3.018 8.469 1.00 1.00 C ATOM 703 O PRO A 49 -4.335 -3.120 7.243 1.00 1.00 O ATOM 704 CB PRO A 49 -5.269 -5.031 9.732 1.00 1.00 C ATOM 705 CG PRO A 49 -6.067 -5.920 8.792 1.00 1.00 C ATOM 706 CD PRO A 49 -7.041 -5.037 8.029 1.00 1.00 C ATOM 0 HA PRO A 49 -5.632 -2.937 10.127 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -4.207 -5.271 9.689 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.586 -5.171 10.765 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.402 -6.440 8.102 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -6.604 -6.684 9.354 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -6.914 -5.146 6.952 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -8.074 -5.299 8.257 1.00 1.00 H new ATOM 714 N LEU A 50 -3.427 -2.418 9.192 1.00 1.00 N ATOM 715 CA LEU A 50 -2.265 -1.816 8.562 1.00 1.00 C ATOM 716 C LEU A 50 -0.996 -2.478 9.105 1.00 1.00 C ATOM 717 O LEU A 50 -0.248 -1.864 9.865 1.00 1.00 O ATOM 718 CB LEU A 50 -2.288 -0.296 8.736 1.00 1.00 C ATOM 719 CG LEU A 50 -0.929 0.377 8.932 1.00 1.00 C ATOM 720 CD1 LEU A 50 -0.713 1.486 7.900 1.00 1.00 C ATOM 721 CD2 LEU A 50 -0.772 0.890 10.365 1.00 1.00 C ATOM 0 H LEU A 50 -3.452 -2.336 10.208 1.00 1.00 H new ATOM 0 HA LEU A 50 -2.282 -1.991 7.486 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -2.766 0.143 7.860 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.916 -0.058 9.594 1.00 1.00 H new ATOM 0 HG LEU A 50 -0.152 -0.370 8.771 1.00 1.00 H new ATOM 0 HD11 LEU A 50 0.261 1.949 8.061 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -0.751 1.062 6.897 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -1.494 2.239 8.006 1.00 1.00 H new ATOM 0 HD21 LEU A 50 0.203 1.364 10.477 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.556 1.617 10.579 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -0.852 0.055 11.061 1.00 1.00 H new ATOM 733 N PRO A 51 -0.787 -3.754 8.682 1.00 1.00 N ATOM 734 CA PRO A 51 0.378 -4.505 9.117 1.00 1.00 C ATOM 735 C PRO A 51 1.640 -4.023 8.399 1.00 1.00 C ATOM 736 O PRO A 51 1.593 -3.065 7.629 1.00 1.00 O ATOM 737 CB PRO A 51 0.042 -5.957 8.820 1.00 1.00 C ATOM 738 CG PRO A 51 -1.093 -5.925 7.810 1.00 1.00 C ATOM 739 CD PRO A 51 -1.652 -4.511 7.782 1.00 1.00 C ATOM 0 HA PRO A 51 0.596 -4.369 10.176 1.00 1.00 H new ATOM 0 HB2 PRO A 51 0.908 -6.484 8.418 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -0.257 -6.482 9.727 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -0.733 -6.213 6.822 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -1.870 -6.637 8.086 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -1.633 -4.098 6.774 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -2.689 -4.488 8.117 1.00 1.00 H new ATOM 747 N ALA A 52 2.738 -4.710 8.677 1.00 1.00 N ATOM 748 CA ALA A 52 4.012 -4.365 8.067 1.00 1.00 C ATOM 749 C ALA A 52 4.848 -5.634 7.891 1.00 1.00 C ATOM 750 O ALA A 52 4.308 -6.737 7.856 1.00 1.00 O ATOM 751 CB ALA A 52 4.719 -3.313 8.923 1.00 1.00 C ATOM 0 H ALA A 52 2.772 -5.504 9.316 1.00 1.00 H new ATOM 0 HA ALA A 52 3.860 -3.931 7.078 1.00 1.00 H new ATOM 0 HB1 ALA A 52 5.674 -3.054 8.466 1.00 1.00 H new ATOM 0 HB2 ALA A 52 4.096 -2.421 8.992 1.00 1.00 H new ATOM 0 HB3 ALA A 52 4.891 -3.713 9.922 1.00 1.00 H new ATOM 757 N GLN A 53 6.153 -5.433 7.784 1.00 1.00 N ATOM 758 CA GLN A 53 7.070 -6.547 7.612 1.00 1.00 C ATOM 759 C GLN A 53 6.581 -7.763 8.400 1.00 1.00 C ATOM 760 O GLN A 53 5.842 -7.621 9.373 1.00 1.00 O ATOM 761 CB GLN A 53 8.490 -6.157 8.030 1.00 1.00 C ATOM 762 CG GLN A 53 9.160 -5.296 6.958 1.00 1.00 C ATOM 763 CD GLN A 53 10.548 -5.838 6.606 1.00 1.00 C ATOM 764 OE1 GLN A 53 11.338 -6.196 7.465 1.00 1.00 O ATOM 765 NE2 GLN A 53 10.797 -5.880 5.301 1.00 1.00 N ATOM 0 H GLN A 53 6.597 -4.515 7.813 1.00 1.00 H new ATOM 0 HA GLN A 53 7.097 -6.811 6.555 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.458 -5.611 8.973 1.00 1.00 H new ATOM 0 HB3 GLN A 53 9.082 -7.056 8.202 1.00 1.00 H new ATOM 0 HG2 GLN A 53 8.537 -5.273 6.064 1.00 1.00 H new ATOM 0 HG3 GLN A 53 9.246 -4.269 7.313 1.00 1.00 H new ATOM 0 HE21 GLN A 53 10.090 -5.564 4.637 1.00 1.00 H new ATOM 0 HE22 GLN A 53 11.695 -6.228 4.964 1.00 1.00 H new ATOM 774 N GLU A 54 7.013 -8.932 7.951 1.00 1.00 N ATOM 775 CA GLU A 54 6.629 -10.172 8.602 1.00 1.00 C ATOM 776 C GLU A 54 6.965 -10.116 10.094 1.00 1.00 C ATOM 777 O GLU A 54 6.510 -10.956 10.869 1.00 1.00 O ATOM 778 CB GLU A 54 7.299 -11.374 7.933 1.00 1.00 C ATOM 779 CG GLU A 54 6.315 -12.119 7.028 1.00 1.00 C ATOM 780 CD GLU A 54 7.051 -12.849 5.903 1.00 1.00 C ATOM 781 OE1 GLU A 54 8.125 -12.349 5.508 1.00 1.00 O ATOM 782 OE2 GLU A 54 6.521 -13.893 5.462 1.00 1.00 O ATOM 0 H GLU A 54 7.626 -9.046 7.144 1.00 1.00 H new ATOM 0 HA GLU A 54 5.551 -10.295 8.497 1.00 1.00 H new ATOM 0 HB2 GLU A 54 8.154 -11.038 7.347 1.00 1.00 H new ATOM 0 HB3 GLU A 54 7.682 -12.052 8.696 1.00 1.00 H new ATOM 0 HG2 GLU A 54 5.743 -12.835 7.618 1.00 1.00 H new ATOM 0 HG3 GLU A 54 5.601 -11.414 6.603 1.00 1.00 H new ATOM 789 N SER A 55 7.761 -9.119 10.450 1.00 1.00 N ATOM 790 CA SER A 55 8.164 -8.942 11.835 1.00 1.00 C ATOM 791 C SER A 55 7.213 -7.971 12.538 1.00 1.00 C ATOM 792 O SER A 55 7.444 -6.762 12.537 1.00 1.00 O ATOM 793 CB SER A 55 9.605 -8.436 11.928 1.00 1.00 C ATOM 794 OG SER A 55 10.533 -9.361 11.369 1.00 1.00 O ATOM 0 H SER A 55 8.138 -8.425 9.804 1.00 1.00 H new ATOM 0 HA SER A 55 8.115 -9.911 12.332 1.00 1.00 H new ATOM 0 HB2 SER A 55 9.688 -7.481 11.409 1.00 1.00 H new ATOM 0 HB3 SER A 55 9.859 -8.254 12.972 1.00 1.00 H new ATOM 0 HG SER A 55 11.441 -9.001 11.446 1.00 1.00 H new ATOM 800 N GLU A 56 6.165 -8.535 13.119 1.00 1.00 N ATOM 801 CA GLU A 56 5.179 -7.734 13.823 1.00 1.00 C ATOM 802 C GLU A 56 5.871 -6.755 14.773 1.00 1.00 C ATOM 803 O GLU A 56 6.229 -7.118 15.893 1.00 1.00 O ATOM 804 CB GLU A 56 4.188 -8.622 14.577 1.00 1.00 C ATOM 805 CG GLU A 56 2.938 -7.834 14.976 1.00 1.00 C ATOM 806 CD GLU A 56 2.398 -8.310 16.327 1.00 1.00 C ATOM 807 OE1 GLU A 56 3.221 -8.809 17.122 1.00 1.00 O ATOM 808 OE2 GLU A 56 1.174 -8.163 16.531 1.00 1.00 O ATOM 0 H GLU A 56 5.977 -9.538 13.117 1.00 1.00 H new ATOM 0 HA GLU A 56 4.615 -7.160 13.088 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.904 -9.469 13.952 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.665 -9.030 15.468 1.00 1.00 H new ATOM 0 HG2 GLU A 56 3.175 -6.771 15.029 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.170 -7.952 14.211 1.00 1.00 H new ATOM 815 N GLU A 57 6.038 -5.531 14.292 1.00 1.00 N ATOM 816 CA GLU A 57 6.681 -4.497 15.085 1.00 1.00 C ATOM 817 C GLU A 57 7.074 -3.314 14.196 1.00 1.00 C ATOM 818 O GLU A 57 7.251 -2.199 14.685 1.00 1.00 O ATOM 819 CB GLU A 57 7.898 -5.052 15.828 1.00 1.00 C ATOM 820 CG GLU A 57 8.699 -6.002 14.934 1.00 1.00 C ATOM 821 CD GLU A 57 10.126 -6.176 15.459 1.00 1.00 C ATOM 822 OE1 GLU A 57 10.295 -6.060 16.693 1.00 1.00 O ATOM 823 OE2 GLU A 57 11.015 -6.421 14.616 1.00 1.00 O ATOM 0 H GLU A 57 5.739 -5.233 13.363 1.00 1.00 H new ATOM 0 HA GLU A 57 5.970 -4.145 15.832 1.00 1.00 H new ATOM 0 HB2 GLU A 57 8.535 -4.230 16.155 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.572 -5.579 16.725 1.00 1.00 H new ATOM 0 HG2 GLU A 57 8.203 -6.972 14.891 1.00 1.00 H new ATOM 0 HG3 GLU A 57 8.727 -5.613 13.916 1.00 1.00 H new ATOM 830 N CYS A 58 7.196 -3.597 12.908 1.00 1.00 N ATOM 831 CA CYS A 58 7.565 -2.572 11.948 1.00 1.00 C ATOM 832 C CYS A 58 6.314 -1.755 11.616 1.00 1.00 C ATOM 833 O CYS A 58 6.387 -0.773 10.877 1.00 1.00 O ATOM 834 CB CYS A 58 8.204 -3.173 10.695 1.00 1.00 C ATOM 835 SG CYS A 58 9.610 -4.298 11.014 1.00 1.00 S ATOM 0 H CYS A 58 7.046 -4.523 12.507 1.00 1.00 H new ATOM 0 HA CYS A 58 8.321 -1.918 12.382 1.00 1.00 H new ATOM 0 HB2 CYS A 58 7.440 -3.718 10.140 1.00 1.00 H new ATOM 0 HB3 CYS A 58 8.545 -2.361 10.053 1.00 1.00 H new ATOM 840 N VAL A 59 5.195 -2.189 12.176 1.00 1.00 N ATOM 841 CA VAL A 59 3.931 -1.511 11.949 1.00 1.00 C ATOM 842 C VAL A 59 4.019 -0.083 12.491 1.00 1.00 C ATOM 843 O VAL A 59 4.018 0.125 13.704 1.00 1.00 O ATOM 844 CB VAL A 59 2.786 -2.317 12.566 1.00 1.00 C ATOM 845 CG1 VAL A 59 1.484 -2.099 11.793 1.00 1.00 C ATOM 846 CG2 VAL A 59 3.138 -3.803 12.640 1.00 1.00 C ATOM 0 H VAL A 59 5.138 -3.003 12.788 1.00 1.00 H new ATOM 0 HA VAL A 59 3.721 -1.441 10.882 1.00 1.00 H new ATOM 0 HB VAL A 59 2.635 -1.959 13.584 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.686 -2.683 12.252 1.00 1.00 H new ATOM 0 HG12 VAL A 59 1.220 -1.042 11.817 1.00 1.00 H new ATOM 0 HG13 VAL A 59 1.617 -2.417 10.759 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.307 -4.352 13.082 1.00 1.00 H new ATOM 0 HG22 VAL A 59 3.330 -4.182 11.636 1.00 1.00 H new ATOM 0 HG23 VAL A 59 4.029 -3.936 13.254 1.00 1.00 H new ATOM 856 N MET A 60 4.091 0.864 11.567 1.00 1.00 N ATOM 857 CA MET A 60 4.179 2.265 11.938 1.00 1.00 C ATOM 858 C MET A 60 3.638 3.162 10.822 1.00 1.00 C ATOM 859 O MET A 60 3.780 2.845 9.642 1.00 1.00 O ATOM 860 CB MET A 60 5.638 2.628 12.222 1.00 1.00 C ATOM 861 CG MET A 60 6.034 2.230 13.646 1.00 1.00 C ATOM 862 SD MET A 60 7.778 2.515 13.897 1.00 1.00 S ATOM 863 CE MET A 60 8.447 1.552 12.550 1.00 1.00 C ATOM 0 H MET A 60 4.090 0.688 10.562 1.00 1.00 H new ATOM 0 HA MET A 60 3.576 2.423 12.832 1.00 1.00 H new ATOM 0 HB2 MET A 60 6.288 2.125 11.506 1.00 1.00 H new ATOM 0 HB3 MET A 60 5.783 3.700 12.086 1.00 1.00 H new ATOM 0 HG2 MET A 60 5.455 2.807 14.368 1.00 1.00 H new ATOM 0 HG3 MET A 60 5.801 1.179 13.817 1.00 1.00 H new ATOM 0 HE1 MET A 60 9.407 1.129 12.847 1.00 1.00 H new ATOM 0 HE2 MET A 60 7.757 0.746 12.301 1.00 1.00 H new ATOM 0 HE3 MET A 60 8.587 2.192 11.679 1.00 1.00 H new ATOM 873 N GLN A 61 3.031 4.265 11.235 1.00 1.00 N ATOM 874 CA GLN A 61 2.468 5.209 10.286 1.00 1.00 C ATOM 875 C GLN A 61 3.548 6.174 9.794 1.00 1.00 C ATOM 876 O GLN A 61 4.629 6.250 10.375 1.00 1.00 O ATOM 877 CB GLN A 61 1.292 5.972 10.901 1.00 1.00 C ATOM 878 CG GLN A 61 0.176 5.012 11.318 1.00 1.00 C ATOM 879 CD GLN A 61 -0.123 5.136 12.813 1.00 1.00 C ATOM 880 OE1 GLN A 61 -0.306 6.386 13.227 1.00 1.00 O flip ATOM 881 NE2 GLN A 61 -0.184 4.160 13.543 1.00 1.00 N flip ATOM 0 H GLN A 61 2.917 4.526 12.215 1.00 1.00 H new ATOM 0 HA GLN A 61 2.088 4.650 9.431 1.00 1.00 H new ATOM 0 HB2 GLN A 61 1.634 6.537 11.768 1.00 1.00 H new ATOM 0 HB3 GLN A 61 0.906 6.694 10.182 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.726 5.226 10.744 1.00 1.00 H new ATOM 0 HG3 GLN A 61 0.467 3.988 11.085 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -0.033 3.227 13.160 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -0.386 4.278 14.536 1.00 1.00 H new ATOM 890 N VAL A 62 3.219 6.887 8.726 1.00 1.00 N ATOM 891 CA VAL A 62 4.147 7.843 8.149 1.00 1.00 C ATOM 892 C VAL A 62 4.479 8.917 9.188 1.00 1.00 C ATOM 893 O VAL A 62 3.882 9.992 9.187 1.00 1.00 O ATOM 894 CB VAL A 62 3.567 8.421 6.856 1.00 1.00 C ATOM 895 CG1 VAL A 62 2.306 9.241 7.140 1.00 1.00 C ATOM 896 CG2 VAL A 62 4.610 9.259 6.114 1.00 1.00 C ATOM 0 H VAL A 62 2.322 6.821 8.246 1.00 1.00 H new ATOM 0 HA VAL A 62 5.082 7.352 7.879 1.00 1.00 H new ATOM 0 HB VAL A 62 3.287 7.587 6.212 1.00 1.00 H new ATOM 0 HG11 VAL A 62 1.914 9.641 6.205 1.00 1.00 H new ATOM 0 HG12 VAL A 62 1.555 8.603 7.606 1.00 1.00 H new ATOM 0 HG13 VAL A 62 2.551 10.064 7.812 1.00 1.00 H new ATOM 0 HG21 VAL A 62 4.172 9.658 5.199 1.00 1.00 H new ATOM 0 HG22 VAL A 62 4.935 10.083 6.750 1.00 1.00 H new ATOM 0 HG23 VAL A 62 5.467 8.634 5.864 1.00 1.00 H new ATOM 906 N SER A 63 5.430 8.587 10.049 1.00 1.00 N ATOM 907 CA SER A 63 5.848 9.510 11.091 1.00 1.00 C ATOM 908 C SER A 63 6.535 8.744 12.223 1.00 1.00 C ATOM 909 O SER A 63 7.358 9.303 12.947 1.00 1.00 O ATOM 910 CB SER A 63 4.658 10.303 11.633 1.00 1.00 C ATOM 911 OG SER A 63 4.482 11.538 10.945 1.00 1.00 O ATOM 0 H SER A 63 5.923 7.694 10.047 1.00 1.00 H new ATOM 0 HA SER A 63 6.555 10.218 10.658 1.00 1.00 H new ATOM 0 HB2 SER A 63 3.752 9.705 11.541 1.00 1.00 H new ATOM 0 HB3 SER A 63 4.806 10.498 12.695 1.00 1.00 H new ATOM 0 HG SER A 63 4.411 11.369 9.982 1.00 1.00 H new ATOM 917 N ALA A 64 6.174 7.474 12.341 1.00 1.00 N ATOM 918 CA ALA A 64 6.745 6.625 13.372 1.00 1.00 C ATOM 919 C ALA A 64 8.110 6.114 12.908 1.00 1.00 C ATOM 920 O ALA A 64 8.924 5.681 13.720 1.00 1.00 O ATOM 921 CB ALA A 64 5.774 5.487 13.693 1.00 1.00 C ATOM 0 H ALA A 64 5.492 7.013 11.739 1.00 1.00 H new ATOM 0 HA ALA A 64 6.900 7.190 14.291 1.00 1.00 H new ATOM 0 HB1 ALA A 64 6.203 4.850 14.467 1.00 1.00 H new ATOM 0 HB2 ALA A 64 4.831 5.903 14.047 1.00 1.00 H new ATOM 0 HB3 ALA A 64 5.596 4.896 12.794 1.00 1.00 H new ATOM 927 N ARG A 65 8.317 6.182 11.601 1.00 1.00 N ATOM 928 CA ARG A 65 9.570 5.730 11.017 1.00 1.00 C ATOM 929 C ARG A 65 10.755 6.387 11.730 1.00 1.00 C ATOM 930 O ARG A 65 10.567 7.243 12.594 1.00 1.00 O ATOM 931 CB ARG A 65 9.634 6.062 9.525 1.00 1.00 C ATOM 932 CG ARG A 65 9.363 7.548 9.282 1.00 1.00 C ATOM 933 CD ARG A 65 10.623 8.382 9.524 1.00 1.00 C ATOM 934 NE ARG A 65 10.473 9.718 8.907 1.00 1.00 N ATOM 935 CZ ARG A 65 9.870 10.757 9.500 1.00 1.00 C ATOM 936 NH1 ARG A 65 9.356 10.620 10.730 1.00 1.00 N ATOM 937 NH2 ARG A 65 9.779 11.932 8.862 1.00 1.00 N ATOM 0 H ARG A 65 7.639 6.543 10.930 1.00 1.00 H new ATOM 0 HA ARG A 65 9.622 4.648 11.139 1.00 1.00 H new ATOM 0 HB2 ARG A 65 10.616 5.799 9.132 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.903 5.462 8.984 1.00 1.00 H new ATOM 0 HG2 ARG A 65 9.016 7.696 8.259 1.00 1.00 H new ATOM 0 HG3 ARG A 65 8.565 7.888 9.942 1.00 1.00 H new ATOM 0 HD2 ARG A 65 10.801 8.485 10.594 1.00 1.00 H new ATOM 0 HD3 ARG A 65 11.491 7.874 9.104 1.00 1.00 H new ATOM 0 HE ARG A 65 10.853 9.857 7.971 1.00 1.00 H new ATOM 0 HH11 ARG A 65 9.424 9.725 11.214 1.00 1.00 H new ATOM 0 HH12 ARG A 65 8.897 11.411 11.182 1.00 1.00 H new ATOM 0 HH21 ARG A 65 10.169 12.035 7.925 1.00 1.00 H new ATOM 0 HH22 ARG A 65 9.320 12.723 9.313 1.00 1.00 H new ATOM 951 N LYS A 66 11.947 5.963 11.340 1.00 1.00 N ATOM 952 CA LYS A 66 13.161 6.499 11.931 1.00 1.00 C ATOM 953 C LYS A 66 14.140 6.879 10.817 1.00 1.00 C ATOM 954 O LYS A 66 15.274 7.271 11.090 1.00 1.00 O ATOM 955 CB LYS A 66 13.741 5.516 12.951 1.00 1.00 C ATOM 956 CG LYS A 66 13.312 5.883 14.372 1.00 1.00 C ATOM 957 CD LYS A 66 14.072 7.114 14.872 1.00 1.00 C ATOM 958 CE LYS A 66 13.198 7.954 15.807 1.00 1.00 C ATOM 959 NZ LYS A 66 12.254 8.785 15.025 1.00 1.00 N ATOM 0 H LYS A 66 12.099 5.255 10.622 1.00 1.00 H new ATOM 0 HA LYS A 66 12.943 7.409 12.490 1.00 1.00 H new ATOM 0 HB2 LYS A 66 13.408 4.505 12.717 1.00 1.00 H new ATOM 0 HB3 LYS A 66 14.829 5.517 12.884 1.00 1.00 H new ATOM 0 HG2 LYS A 66 12.240 6.079 14.393 1.00 1.00 H new ATOM 0 HG3 LYS A 66 13.495 5.041 15.040 1.00 1.00 H new ATOM 0 HD2 LYS A 66 14.975 6.801 15.396 1.00 1.00 H new ATOM 0 HD3 LYS A 66 14.390 7.720 14.023 1.00 1.00 H new ATOM 0 HE2 LYS A 66 12.644 7.301 16.482 1.00 1.00 H new ATOM 0 HE3 LYS A 66 13.827 8.593 16.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 11.549 9.204 15.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 12.777 9.543 14.542 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 11.772 8.192 14.319 1.00 1.00 H new ATOM 973 N ASN A 67 13.666 6.748 9.587 1.00 1.00 N ATOM 974 CA ASN A 67 14.485 7.074 8.432 1.00 1.00 C ATOM 975 C ASN A 67 15.709 6.156 8.406 1.00 1.00 C ATOM 976 O ASN A 67 16.761 6.505 8.940 1.00 1.00 O ATOM 977 CB ASN A 67 14.980 8.520 8.497 1.00 1.00 C ATOM 978 CG ASN A 67 15.485 8.988 7.131 1.00 1.00 C ATOM 979 OD1 ASN A 67 15.292 8.343 6.113 1.00 1.00 O ATOM 980 ND2 ASN A 67 16.142 10.144 7.164 1.00 1.00 N ATOM 0 H ASN A 67 12.726 6.421 9.365 1.00 1.00 H new ATOM 0 HA ASN A 67 13.875 6.942 7.538 1.00 1.00 H new ATOM 0 HB2 ASN A 67 14.172 9.170 8.832 1.00 1.00 H new ATOM 0 HB3 ASN A 67 15.781 8.601 9.232 1.00 1.00 H new ATOM 0 HD21 ASN A 67 16.519 10.541 6.303 1.00 1.00 H new ATOM 0 HD22 ASN A 67 16.269 10.633 8.050 1.00 1.00 H new ATOM 987 N CYS A 68 15.532 5.003 7.779 1.00 1.00 N ATOM 988 CA CYS A 68 16.610 4.034 7.676 1.00 1.00 C ATOM 989 C CYS A 68 16.759 3.635 6.207 1.00 1.00 C ATOM 990 O CYS A 68 16.110 4.212 5.335 1.00 1.00 O ATOM 991 CB CYS A 68 16.365 2.819 8.575 1.00 1.00 C ATOM 992 SG CYS A 68 17.881 1.954 9.124 1.00 1.00 S ATOM 0 H CYS A 68 14.658 4.718 7.337 1.00 1.00 H new ATOM 0 HA CYS A 68 17.540 4.482 8.026 1.00 1.00 H new ATOM 0 HB2 CYS A 68 15.809 3.142 9.455 1.00 1.00 H new ATOM 0 HB3 CYS A 68 15.732 2.110 8.040 1.00 1.00 H new ATOM 997 N GLY A 69 17.617 2.653 5.978 1.00 1.00 N ATOM 998 CA GLY A 69 17.860 2.171 4.628 1.00 1.00 C ATOM 999 C GLY A 69 18.040 3.336 3.653 1.00 1.00 C ATOM 1000 O GLY A 69 18.098 4.493 4.067 1.00 1.00 O ATOM 0 H GLY A 69 18.153 2.177 6.704 1.00 1.00 H new ATOM 0 HA2 GLY A 69 18.751 1.543 4.617 1.00 1.00 H new ATOM 0 HA3 GLY A 69 17.026 1.548 4.305 1.00 1.00 H new ATOM 1004 N TYR A 70 18.123 2.991 2.377 1.00 1.00 N ATOM 1005 CA TYR A 70 18.296 3.994 1.340 1.00 1.00 C ATOM 1006 C TYR A 70 17.265 3.811 0.223 1.00 1.00 C ATOM 1007 O TYR A 70 16.586 2.787 0.162 1.00 1.00 O ATOM 1008 CB TYR A 70 19.696 3.771 0.767 1.00 1.00 C ATOM 1009 CG TYR A 70 20.165 2.315 0.817 1.00 1.00 C ATOM 1010 CD1 TYR A 70 20.592 1.768 2.010 1.00 1.00 C ATOM 1011 CD2 TYR A 70 20.161 1.549 -0.331 1.00 1.00 C ATOM 1012 CE1 TYR A 70 21.033 0.399 2.058 1.00 1.00 C ATOM 1013 CE2 TYR A 70 20.602 0.180 -0.283 1.00 1.00 C ATOM 1014 CZ TYR A 70 21.017 -0.328 0.908 1.00 1.00 C ATOM 1015 OH TYR A 70 21.433 -1.622 0.953 1.00 1.00 O ATOM 0 H TYR A 70 18.074 2.031 2.037 1.00 1.00 H new ATOM 0 HA TYR A 70 18.167 4.996 1.750 1.00 1.00 H new ATOM 0 HB2 TYR A 70 19.712 4.112 -0.268 1.00 1.00 H new ATOM 0 HB3 TYR A 70 20.405 4.389 1.317 1.00 1.00 H new ATOM 0 HD1 TYR A 70 20.595 2.368 2.908 1.00 1.00 H new ATOM 0 HD2 TYR A 70 19.827 1.977 -1.265 1.00 1.00 H new ATOM 0 HE1 TYR A 70 21.369 -0.041 2.985 1.00 1.00 H new ATOM 0 HE2 TYR A 70 20.603 -0.431 -1.174 1.00 1.00 H new ATOM 0 HH TYR A 70 21.366 -2.018 0.059 1.00 1.00 H new ATOM 1025 N PRO A 71 17.179 4.846 -0.654 1.00 1.00 N ATOM 1026 CA PRO A 71 16.243 4.810 -1.764 1.00 1.00 C ATOM 1027 C PRO A 71 16.736 3.871 -2.867 1.00 1.00 C ATOM 1028 O PRO A 71 17.070 4.317 -3.964 1.00 1.00 O ATOM 1029 CB PRO A 71 16.122 6.254 -2.225 1.00 1.00 C ATOM 1030 CG PRO A 71 17.338 6.973 -1.664 1.00 1.00 C ATOM 1031 CD PRO A 71 17.968 6.074 -0.612 1.00 1.00 C ATOM 0 HA PRO A 71 15.269 4.414 -1.479 1.00 1.00 H new ATOM 0 HB2 PRO A 71 16.099 6.316 -3.313 1.00 1.00 H new ATOM 0 HB3 PRO A 71 15.199 6.705 -1.860 1.00 1.00 H new ATOM 0 HG2 PRO A 71 18.053 7.190 -2.458 1.00 1.00 H new ATOM 0 HG3 PRO A 71 17.048 7.928 -1.226 1.00 1.00 H new ATOM 0 HD2 PRO A 71 19.017 5.879 -0.835 1.00 1.00 H new ATOM 0 HD3 PRO A 71 17.932 6.534 0.375 1.00 1.00 H new ATOM 1039 N GLY A 72 16.768 2.588 -2.537 1.00 1.00 N ATOM 1040 CA GLY A 72 17.215 1.583 -3.486 1.00 1.00 C ATOM 1041 C GLY A 72 17.128 0.180 -2.881 1.00 1.00 C ATOM 1042 O GLY A 72 16.802 -0.781 -3.575 1.00 1.00 O ATOM 0 H GLY A 72 16.492 2.222 -1.626 1.00 1.00 H new ATOM 0 HA2 GLY A 72 16.605 1.632 -4.388 1.00 1.00 H new ATOM 0 HA3 GLY A 72 18.242 1.791 -3.785 1.00 1.00 H new ATOM 1046 N ILE A 73 17.425 0.107 -1.591 1.00 1.00 N ATOM 1047 CA ILE A 73 17.385 -1.161 -0.884 1.00 1.00 C ATOM 1048 C ILE A 73 16.066 -1.871 -1.195 1.00 1.00 C ATOM 1049 O ILE A 73 15.099 -1.238 -1.616 1.00 1.00 O ATOM 1050 CB ILE A 73 17.631 -0.949 0.611 1.00 1.00 C ATOM 1051 CG1 ILE A 73 18.062 -2.254 1.286 1.00 1.00 C ATOM 1052 CG2 ILE A 73 16.404 -0.332 1.287 1.00 1.00 C ATOM 1053 CD1 ILE A 73 18.547 -1.997 2.714 1.00 1.00 C ATOM 0 H ILE A 73 17.694 0.906 -1.018 1.00 1.00 H new ATOM 0 HA ILE A 73 18.188 -1.814 -1.226 1.00 1.00 H new ATOM 0 HB ILE A 73 18.452 -0.241 0.725 1.00 1.00 H new ATOM 0 HG12 ILE A 73 17.226 -2.953 1.302 1.00 1.00 H new ATOM 0 HG13 ILE A 73 18.858 -2.722 0.706 1.00 1.00 H new ATOM 0 HG21 ILE A 73 16.606 -0.192 2.349 1.00 1.00 H new ATOM 0 HG22 ILE A 73 16.183 0.632 0.829 1.00 1.00 H new ATOM 0 HG23 ILE A 73 15.549 -0.996 1.165 1.00 1.00 H new ATOM 0 HD11 ILE A 73 18.847 -2.940 3.171 1.00 1.00 H new ATOM 0 HD12 ILE A 73 19.398 -1.317 2.692 1.00 1.00 H new ATOM 0 HD13 ILE A 73 17.741 -1.551 3.297 1.00 1.00 H new ATOM 1065 N SER A 74 16.068 -3.179 -0.977 1.00 1.00 N ATOM 1066 CA SER A 74 14.884 -3.981 -1.230 1.00 1.00 C ATOM 1067 C SER A 74 14.226 -4.373 0.095 1.00 1.00 C ATOM 1068 O SER A 74 14.693 -3.984 1.164 1.00 1.00 O ATOM 1069 CB SER A 74 15.229 -5.231 -2.041 1.00 1.00 C ATOM 1070 OG SER A 74 15.262 -6.403 -1.230 1.00 1.00 O ATOM 0 H SER A 74 16.871 -3.702 -0.628 1.00 1.00 H new ATOM 0 HA SER A 74 14.184 -3.384 -1.814 1.00 1.00 H new ATOM 0 HB2 SER A 74 14.495 -5.361 -2.836 1.00 1.00 H new ATOM 0 HB3 SER A 74 16.198 -5.095 -2.521 1.00 1.00 H new ATOM 0 HG SER A 74 15.261 -7.198 -1.803 1.00 1.00 H new ATOM 1076 N PRO A 75 13.123 -5.161 -0.022 1.00 1.00 N ATOM 1077 CA PRO A 75 12.396 -5.609 1.153 1.00 1.00 C ATOM 1078 C PRO A 75 13.156 -6.723 1.876 1.00 1.00 C ATOM 1079 O PRO A 75 13.613 -6.537 3.002 1.00 1.00 O ATOM 1080 CB PRO A 75 11.040 -6.057 0.630 1.00 1.00 C ATOM 1081 CG PRO A 75 11.222 -6.279 -0.863 1.00 1.00 C ATOM 1082 CD PRO A 75 12.540 -5.641 -1.272 1.00 1.00 C ATOM 0 HA PRO A 75 12.280 -4.824 1.901 1.00 1.00 H new ATOM 0 HB2 PRO A 75 10.714 -6.972 1.124 1.00 1.00 H new ATOM 0 HB3 PRO A 75 10.278 -5.302 0.823 1.00 1.00 H new ATOM 0 HG2 PRO A 75 11.226 -7.345 -1.093 1.00 1.00 H new ATOM 0 HG3 PRO A 75 10.395 -5.836 -1.418 1.00 1.00 H new ATOM 0 HD2 PRO A 75 13.194 -6.362 -1.763 1.00 1.00 H new ATOM 0 HD3 PRO A 75 12.383 -4.823 -1.975 1.00 1.00 H new ATOM 1090 N GLU A 76 13.266 -7.856 1.198 1.00 1.00 N ATOM 1091 CA GLU A 76 13.963 -9.000 1.762 1.00 1.00 C ATOM 1092 C GLU A 76 15.438 -8.665 1.986 1.00 1.00 C ATOM 1093 O GLU A 76 16.150 -9.405 2.664 1.00 1.00 O ATOM 1094 CB GLU A 76 13.810 -10.230 0.865 1.00 1.00 C ATOM 1095 CG GLU A 76 13.754 -11.512 1.699 1.00 1.00 C ATOM 1096 CD GLU A 76 12.585 -12.399 1.264 1.00 1.00 C ATOM 1097 OE1 GLU A 76 11.566 -11.821 0.829 1.00 1.00 O ATOM 1098 OE2 GLU A 76 12.738 -13.635 1.376 1.00 1.00 O ATOM 0 H GLU A 76 12.885 -8.006 0.264 1.00 1.00 H new ATOM 0 HA GLU A 76 13.514 -9.236 2.727 1.00 1.00 H new ATOM 0 HB2 GLU A 76 12.902 -10.139 0.269 1.00 1.00 H new ATOM 0 HB3 GLU A 76 14.646 -10.282 0.167 1.00 1.00 H new ATOM 0 HG2 GLU A 76 14.690 -12.060 1.593 1.00 1.00 H new ATOM 0 HG3 GLU A 76 13.650 -11.259 2.754 1.00 1.00 H new ATOM 1105 N ASP A 77 15.854 -7.549 1.406 1.00 1.00 N ATOM 1106 CA ASP A 77 17.231 -7.107 1.534 1.00 1.00 C ATOM 1107 C ASP A 77 17.355 -6.182 2.747 1.00 1.00 C ATOM 1108 O ASP A 77 18.279 -6.323 3.547 1.00 1.00 O ATOM 1109 CB ASP A 77 17.677 -6.325 0.298 1.00 1.00 C ATOM 1110 CG ASP A 77 17.705 -7.132 -1.002 1.00 1.00 C ATOM 1111 OD1 ASP A 77 17.450 -8.352 -0.918 1.00 1.00 O ATOM 1112 OD2 ASP A 77 17.981 -6.510 -2.051 1.00 1.00 O ATOM 0 H ASP A 77 15.260 -6.937 0.846 1.00 1.00 H new ATOM 0 HA ASP A 77 17.858 -7.991 1.647 1.00 1.00 H new ATOM 0 HB2 ASP A 77 17.010 -5.473 0.165 1.00 1.00 H new ATOM 0 HB3 ASP A 77 18.674 -5.924 0.481 1.00 1.00 H new ATOM 1117 N CYS A 78 16.411 -5.259 2.846 1.00 1.00 N ATOM 1118 CA CYS A 78 16.402 -4.313 3.949 1.00 1.00 C ATOM 1119 C CYS A 78 16.489 -5.099 5.258 1.00 1.00 C ATOM 1120 O CYS A 78 17.449 -4.949 6.014 1.00 1.00 O ATOM 1121 CB CYS A 78 15.169 -3.407 3.907 1.00 1.00 C ATOM 1122 SG CYS A 78 15.148 -2.080 5.167 1.00 1.00 S ATOM 0 H CYS A 78 15.646 -5.146 2.181 1.00 1.00 H new ATOM 0 HA CYS A 78 17.263 -3.649 3.869 1.00 1.00 H new ATOM 0 HB2 CYS A 78 15.104 -2.951 2.919 1.00 1.00 H new ATOM 0 HB3 CYS A 78 14.279 -4.023 4.033 1.00 1.00 H new ATOM 1127 N ALA A 79 15.475 -5.919 5.487 1.00 1.00 N ATOM 1128 CA ALA A 79 15.425 -6.730 6.693 1.00 1.00 C ATOM 1129 C ALA A 79 16.686 -7.593 6.774 1.00 1.00 C ATOM 1130 O ALA A 79 17.302 -7.700 7.833 1.00 1.00 O ATOM 1131 CB ALA A 79 14.145 -7.567 6.693 1.00 1.00 C ATOM 0 H ALA A 79 14.681 -6.040 4.858 1.00 1.00 H new ATOM 0 HA ALA A 79 15.400 -6.097 7.580 1.00 1.00 H new ATOM 0 HB1 ALA A 79 14.108 -8.175 7.597 1.00 1.00 H new ATOM 0 HB2 ALA A 79 13.278 -6.907 6.664 1.00 1.00 H new ATOM 0 HB3 ALA A 79 14.135 -8.217 5.818 1.00 1.00 H new ATOM 1137 N ALA A 80 17.031 -8.188 5.641 1.00 1.00 N ATOM 1138 CA ALA A 80 18.207 -9.039 5.571 1.00 1.00 C ATOM 1139 C ALA A 80 19.464 -8.177 5.711 1.00 1.00 C ATOM 1140 O ALA A 80 20.571 -8.701 5.819 1.00 1.00 O ATOM 1141 CB ALA A 80 18.186 -9.831 4.262 1.00 1.00 C ATOM 0 H ALA A 80 16.517 -8.098 4.765 1.00 1.00 H new ATOM 0 HA ALA A 80 18.209 -9.760 6.389 1.00 1.00 H new ATOM 0 HB1 ALA A 80 19.068 -10.469 4.209 1.00 1.00 H new ATOM 0 HB2 ALA A 80 17.288 -10.448 4.225 1.00 1.00 H new ATOM 0 HB3 ALA A 80 18.187 -9.140 3.419 1.00 1.00 H new ATOM 1147 N ARG A 81 19.250 -6.870 5.705 1.00 1.00 N ATOM 1148 CA ARG A 81 20.352 -5.930 5.830 1.00 1.00 C ATOM 1149 C ARG A 81 20.379 -5.329 7.236 1.00 1.00 C ATOM 1150 O ARG A 81 21.379 -5.439 7.943 1.00 1.00 O ATOM 1151 CB ARG A 81 20.234 -4.803 4.803 1.00 1.00 C ATOM 1152 CG ARG A 81 21.008 -5.140 3.527 1.00 1.00 C ATOM 1153 CD ARG A 81 21.132 -6.655 3.345 1.00 1.00 C ATOM 1154 NE ARG A 81 21.314 -6.979 1.912 1.00 1.00 N ATOM 1155 CZ ARG A 81 22.442 -6.744 1.227 1.00 1.00 C ATOM 1156 NH1 ARG A 81 23.493 -6.181 1.838 1.00 1.00 N ATOM 1157 NH2 ARG A 81 22.518 -7.070 -0.071 1.00 1.00 N ATOM 0 H ARG A 81 18.330 -6.439 5.616 1.00 1.00 H new ATOM 0 HA ARG A 81 21.277 -6.477 5.647 1.00 1.00 H new ATOM 0 HB2 ARG A 81 19.184 -4.634 4.562 1.00 1.00 H new ATOM 0 HB3 ARG A 81 20.616 -3.876 5.230 1.00 1.00 H new ATOM 0 HG2 ARG A 81 20.501 -4.707 2.665 1.00 1.00 H new ATOM 0 HG3 ARG A 81 22.001 -4.693 3.571 1.00 1.00 H new ATOM 0 HD2 ARG A 81 21.977 -7.031 3.922 1.00 1.00 H new ATOM 0 HD3 ARG A 81 20.239 -7.150 3.728 1.00 1.00 H new ATOM 0 HE ARG A 81 20.533 -7.407 1.415 1.00 1.00 H new ATOM 0 HH11 ARG A 81 23.435 -5.931 2.825 1.00 1.00 H new ATOM 0 HH12 ARG A 81 24.351 -6.003 1.316 1.00 1.00 H new ATOM 0 HH21 ARG A 81 21.718 -7.497 -0.537 1.00 1.00 H new ATOM 0 HH22 ARG A 81 23.376 -6.891 -0.592 1.00 1.00 H new ATOM 1171 N ASN A 82 19.267 -4.706 7.601 1.00 1.00 N ATOM 1172 CA ASN A 82 19.151 -4.087 8.910 1.00 1.00 C ATOM 1173 C ASN A 82 18.181 -2.907 8.827 1.00 1.00 C ATOM 1174 O ASN A 82 18.512 -1.865 8.264 1.00 1.00 O ATOM 1175 CB ASN A 82 20.503 -3.553 9.388 1.00 1.00 C ATOM 1176 CG ASN A 82 21.171 -4.537 10.352 1.00 1.00 C ATOM 1177 OD1 ASN A 82 20.567 -5.035 11.289 1.00 1.00 O ATOM 1178 ND2 ASN A 82 22.446 -4.789 10.070 1.00 1.00 N ATOM 0 H ASN A 82 18.439 -4.617 7.012 1.00 1.00 H new ATOM 0 HA ASN A 82 18.793 -4.842 9.610 1.00 1.00 H new ATOM 0 HB2 ASN A 82 21.153 -3.380 8.531 1.00 1.00 H new ATOM 0 HB3 ASN A 82 20.364 -2.591 9.882 1.00 1.00 H new ATOM 0 HD21 ASN A 82 22.980 -5.433 10.653 1.00 1.00 H new ATOM 0 HD22 ASN A 82 22.890 -4.338 9.270 1.00 1.00 H new ATOM 1185 N CYS A 83 17.002 -3.112 9.397 1.00 1.00 N ATOM 1186 CA CYS A 83 15.981 -2.077 9.395 1.00 1.00 C ATOM 1187 C CYS A 83 14.743 -2.626 8.683 1.00 1.00 C ATOM 1188 O CYS A 83 14.857 -3.458 7.784 1.00 1.00 O ATOM 1189 CB CYS A 83 16.485 -0.785 8.748 1.00 1.00 C ATOM 1190 SG CYS A 83 17.688 0.158 9.754 1.00 1.00 S ATOM 0 H CYS A 83 16.731 -3.978 9.863 1.00 1.00 H new ATOM 0 HA CYS A 83 15.724 -1.815 10.421 1.00 1.00 H new ATOM 0 HB2 CYS A 83 16.946 -1.030 7.791 1.00 1.00 H new ATOM 0 HB3 CYS A 83 15.629 -0.144 8.535 1.00 1.00 H new ATOM 1195 N CYS A 84 13.587 -2.139 9.113 1.00 1.00 N ATOM 1196 CA CYS A 84 12.330 -2.571 8.527 1.00 1.00 C ATOM 1197 C CYS A 84 12.193 -1.922 7.149 1.00 1.00 C ATOM 1198 O CYS A 84 12.915 -0.978 6.829 1.00 1.00 O ATOM 1199 CB CYS A 84 11.142 -2.242 9.434 1.00 1.00 C ATOM 1200 SG CYS A 84 11.148 -3.101 11.049 1.00 1.00 S ATOM 0 H CYS A 84 13.495 -1.450 9.860 1.00 1.00 H new ATOM 0 HA CYS A 84 12.331 -3.655 8.417 1.00 1.00 H new ATOM 0 HB2 CYS A 84 11.125 -1.167 9.611 1.00 1.00 H new ATOM 0 HB3 CYS A 84 10.221 -2.493 8.908 1.00 1.00 H new ATOM 1205 N PHE A 85 11.262 -2.453 6.370 1.00 1.00 N ATOM 1206 CA PHE A 85 11.022 -1.936 5.033 1.00 1.00 C ATOM 1207 C PHE A 85 9.529 -1.955 4.699 1.00 1.00 C ATOM 1208 O PHE A 85 8.963 -3.013 4.426 1.00 1.00 O ATOM 1209 CB PHE A 85 11.762 -2.855 4.059 1.00 1.00 C ATOM 1210 CG PHE A 85 11.429 -2.599 2.587 1.00 1.00 C ATOM 1211 CD1 PHE A 85 10.392 -3.255 2.000 1.00 1.00 C ATOM 1212 CD2 PHE A 85 12.171 -1.716 1.866 1.00 1.00 C ATOM 1213 CE1 PHE A 85 10.084 -3.018 0.635 1.00 1.00 C ATOM 1214 CE2 PHE A 85 11.862 -1.479 0.501 1.00 1.00 C ATOM 1215 CZ PHE A 85 10.824 -2.134 -0.086 1.00 1.00 C ATOM 0 H PHE A 85 10.665 -3.235 6.639 1.00 1.00 H new ATOM 0 HA PHE A 85 11.370 -0.905 4.964 1.00 1.00 H new ATOM 0 HB2 PHE A 85 12.835 -2.733 4.205 1.00 1.00 H new ATOM 0 HB3 PHE A 85 11.523 -3.891 4.300 1.00 1.00 H new ATOM 0 HD1 PHE A 85 9.803 -3.956 2.573 1.00 1.00 H new ATOM 0 HD2 PHE A 85 12.995 -1.196 2.332 1.00 1.00 H new ATOM 0 HE1 PHE A 85 9.262 -3.540 0.169 1.00 1.00 H new ATOM 0 HE2 PHE A 85 12.451 -0.778 -0.072 1.00 1.00 H new ATOM 0 HZ PHE A 85 10.588 -1.952 -1.124 1.00 1.00 H new ATOM 1225 N SER A 86 8.934 -0.771 4.730 1.00 1.00 N ATOM 1226 CA SER A 86 7.517 -0.638 4.434 1.00 1.00 C ATOM 1227 C SER A 86 7.287 0.558 3.508 1.00 1.00 C ATOM 1228 O SER A 86 7.276 1.702 3.958 1.00 1.00 O ATOM 1229 CB SER A 86 6.699 -0.481 5.717 1.00 1.00 C ATOM 1230 OG SER A 86 5.301 -0.398 5.452 1.00 1.00 O ATOM 0 H SER A 86 9.407 0.104 4.955 1.00 1.00 H new ATOM 0 HA SER A 86 7.185 -1.547 3.933 1.00 1.00 H new ATOM 0 HB2 SER A 86 6.893 -1.327 6.377 1.00 1.00 H new ATOM 0 HB3 SER A 86 7.022 0.416 6.245 1.00 1.00 H new ATOM 0 HG SER A 86 4.813 -0.300 6.296 1.00 1.00 H new ATOM 1236 N ASP A 87 7.110 0.251 2.231 1.00 1.00 N ATOM 1237 CA ASP A 87 6.880 1.287 1.237 1.00 1.00 C ATOM 1238 C ASP A 87 5.396 1.659 1.230 1.00 1.00 C ATOM 1239 O ASP A 87 4.976 2.533 0.471 1.00 1.00 O ATOM 1240 CB ASP A 87 7.252 0.797 -0.164 1.00 1.00 C ATOM 1241 CG ASP A 87 6.168 -0.019 -0.871 1.00 1.00 C ATOM 1242 OD1 ASP A 87 5.434 -0.731 -0.154 1.00 1.00 O ATOM 1243 OD2 ASP A 87 6.100 0.087 -2.115 1.00 1.00 O ATOM 0 H ASP A 87 7.121 -0.700 1.862 1.00 1.00 H new ATOM 0 HA ASP A 87 7.499 2.146 1.495 1.00 1.00 H new ATOM 0 HB2 ASP A 87 7.497 1.661 -0.782 1.00 1.00 H new ATOM 0 HB3 ASP A 87 8.155 0.190 -0.093 1.00 1.00 H new ATOM 1248 N THR A 88 4.643 0.981 2.084 1.00 1.00 N ATOM 1249 CA THR A 88 3.215 1.230 2.184 1.00 1.00 C ATOM 1250 C THR A 88 2.909 2.701 1.894 1.00 1.00 C ATOM 1251 O THR A 88 1.901 3.017 1.266 1.00 1.00 O ATOM 1252 CB THR A 88 2.753 0.775 3.569 1.00 1.00 C ATOM 1253 OG1 THR A 88 1.354 1.045 3.574 1.00 1.00 O ATOM 1254 CG2 THR A 88 3.306 1.656 4.691 1.00 1.00 C ATOM 0 H THR A 88 4.995 0.259 2.713 1.00 1.00 H new ATOM 0 HA THR A 88 2.660 0.662 1.437 1.00 1.00 H new ATOM 0 HB THR A 88 3.062 -0.257 3.733 1.00 1.00 H new ATOM 0 HG1 THR A 88 0.972 0.778 4.436 1.00 1.00 H new ATOM 0 HG21 THR A 88 2.947 1.289 5.652 1.00 1.00 H new ATOM 0 HG22 THR A 88 4.395 1.625 4.674 1.00 1.00 H new ATOM 0 HG23 THR A 88 2.970 2.683 4.547 1.00 1.00 H new ATOM 1262 N ILE A 89 3.799 3.562 2.367 1.00 1.00 N ATOM 1263 CA ILE A 89 3.637 4.992 2.166 1.00 1.00 C ATOM 1264 C ILE A 89 4.770 5.509 1.277 1.00 1.00 C ATOM 1265 O ILE A 89 5.915 5.603 1.716 1.00 1.00 O ATOM 1266 CB ILE A 89 3.533 5.713 3.511 1.00 1.00 C ATOM 1267 CG1 ILE A 89 2.109 5.636 4.066 1.00 1.00 C ATOM 1268 CG2 ILE A 89 4.027 7.157 3.399 1.00 1.00 C ATOM 1269 CD1 ILE A 89 2.085 4.919 5.418 1.00 1.00 C ATOM 0 H ILE A 89 4.634 3.297 2.889 1.00 1.00 H new ATOM 0 HA ILE A 89 2.702 5.200 1.645 1.00 1.00 H new ATOM 0 HB ILE A 89 4.184 5.204 4.222 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.703 6.642 4.176 1.00 1.00 H new ATOM 0 HG13 ILE A 89 1.468 5.109 3.360 1.00 1.00 H new ATOM 0 HG21 ILE A 89 3.942 7.647 4.369 1.00 1.00 H new ATOM 0 HG22 ILE A 89 5.069 7.161 3.080 1.00 1.00 H new ATOM 0 HG23 ILE A 89 3.422 7.693 2.668 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.061 4.878 5.790 1.00 1.00 H new ATOM 0 HD12 ILE A 89 2.469 3.906 5.299 1.00 1.00 H new ATOM 0 HD13 ILE A 89 2.708 5.462 6.129 1.00 1.00 H new ATOM 1281 N PRO A 90 4.401 5.841 0.011 1.00 1.00 N ATOM 1282 CA PRO A 90 5.373 6.347 -0.944 1.00 1.00 C ATOM 1283 C PRO A 90 5.741 7.799 -0.634 1.00 1.00 C ATOM 1284 O PRO A 90 4.878 8.599 -0.276 1.00 1.00 O ATOM 1285 CB PRO A 90 4.713 6.178 -2.303 1.00 1.00 C ATOM 1286 CG PRO A 90 3.227 6.019 -2.028 1.00 1.00 C ATOM 1287 CD PRO A 90 3.054 5.743 -0.544 1.00 1.00 C ATOM 0 HA PRO A 90 6.320 5.809 -0.906 1.00 1.00 H new ATOM 0 HB2 PRO A 90 4.902 7.043 -2.939 1.00 1.00 H new ATOM 0 HB3 PRO A 90 5.109 5.306 -2.824 1.00 1.00 H new ATOM 0 HG2 PRO A 90 2.687 6.922 -2.314 1.00 1.00 H new ATOM 0 HG3 PRO A 90 2.815 5.201 -2.619 1.00 1.00 H new ATOM 0 HD2 PRO A 90 2.382 6.466 -0.082 1.00 1.00 H new ATOM 0 HD3 PRO A 90 2.626 4.755 -0.372 1.00 1.00 H new ATOM 1295 N GLU A 91 7.023 8.096 -0.784 1.00 1.00 N ATOM 1296 CA GLU A 91 7.516 9.437 -0.524 1.00 1.00 C ATOM 1297 C GLU A 91 7.959 9.568 0.935 1.00 1.00 C ATOM 1298 O GLU A 91 7.858 10.642 1.525 1.00 1.00 O ATOM 1299 CB GLU A 91 6.458 10.487 -0.871 1.00 1.00 C ATOM 1300 CG GLU A 91 5.743 10.132 -2.176 1.00 1.00 C ATOM 1301 CD GLU A 91 5.926 11.237 -3.220 1.00 1.00 C ATOM 1302 OE1 GLU A 91 5.831 12.418 -2.819 1.00 1.00 O ATOM 1303 OE2 GLU A 91 6.159 10.876 -4.394 1.00 1.00 O ATOM 0 H GLU A 91 7.736 7.430 -1.083 1.00 1.00 H new ATOM 0 HA GLU A 91 8.381 9.614 -1.163 1.00 1.00 H new ATOM 0 HB2 GLU A 91 5.732 10.558 -0.062 1.00 1.00 H new ATOM 0 HB3 GLU A 91 6.928 11.466 -0.964 1.00 1.00 H new ATOM 0 HG2 GLU A 91 6.133 9.191 -2.565 1.00 1.00 H new ATOM 0 HG3 GLU A 91 4.681 9.981 -1.983 1.00 1.00 H new ATOM 1310 N VAL A 92 8.441 8.457 1.475 1.00 1.00 N ATOM 1311 CA VAL A 92 8.900 8.434 2.853 1.00 1.00 C ATOM 1312 C VAL A 92 9.950 7.334 3.018 1.00 1.00 C ATOM 1313 O VAL A 92 10.248 6.609 2.071 1.00 1.00 O ATOM 1314 CB VAL A 92 7.708 8.270 3.799 1.00 1.00 C ATOM 1315 CG1 VAL A 92 6.470 8.981 3.248 1.00 1.00 C ATOM 1316 CG2 VAL A 92 7.418 6.791 4.064 1.00 1.00 C ATOM 0 H VAL A 92 8.523 7.567 0.983 1.00 1.00 H new ATOM 0 HA VAL A 92 9.376 9.379 3.113 1.00 1.00 H new ATOM 0 HB VAL A 92 7.967 8.736 4.750 1.00 1.00 H new ATOM 0 HG11 VAL A 92 5.637 8.849 3.939 1.00 1.00 H new ATOM 0 HG12 VAL A 92 6.682 10.044 3.133 1.00 1.00 H new ATOM 0 HG13 VAL A 92 6.208 8.557 2.279 1.00 1.00 H new ATOM 0 HG21 VAL A 92 6.567 6.702 4.739 1.00 1.00 H new ATOM 0 HG22 VAL A 92 7.189 6.291 3.123 1.00 1.00 H new ATOM 0 HG23 VAL A 92 8.292 6.325 4.519 1.00 1.00 H new ATOM 1326 N PRO A 93 10.496 7.242 4.260 1.00 1.00 N ATOM 1327 CA PRO A 93 11.507 6.243 4.561 1.00 1.00 C ATOM 1328 C PRO A 93 10.880 4.853 4.697 1.00 1.00 C ATOM 1329 O PRO A 93 10.357 4.505 5.753 1.00 1.00 O ATOM 1330 CB PRO A 93 12.167 6.724 5.843 1.00 1.00 C ATOM 1331 CG PRO A 93 11.199 7.719 6.461 1.00 1.00 C ATOM 1332 CD PRO A 93 10.168 8.085 5.406 1.00 1.00 C ATOM 0 HA PRO A 93 12.244 6.137 3.765 1.00 1.00 H new ATOM 0 HB2 PRO A 93 12.357 5.892 6.521 1.00 1.00 H new ATOM 0 HB3 PRO A 93 13.129 7.192 5.635 1.00 1.00 H new ATOM 0 HG2 PRO A 93 10.713 7.286 7.335 1.00 1.00 H new ATOM 0 HG3 PRO A 93 11.730 8.608 6.800 1.00 1.00 H new ATOM 0 HD2 PRO A 93 9.155 7.896 5.760 1.00 1.00 H new ATOM 0 HD3 PRO A 93 10.223 9.143 5.148 1.00 1.00 H new ATOM 1340 N TRP A 94 10.954 4.097 3.611 1.00 1.00 N ATOM 1341 CA TRP A 94 10.402 2.753 3.594 1.00 1.00 C ATOM 1342 C TRP A 94 11.194 1.904 4.590 1.00 1.00 C ATOM 1343 O TRP A 94 10.626 1.065 5.287 1.00 1.00 O ATOM 1344 CB TRP A 94 10.407 2.175 2.179 1.00 1.00 C ATOM 1345 CG TRP A 94 9.635 3.016 1.160 1.00 1.00 C ATOM 1346 CD1 TRP A 94 8.916 4.126 1.381 1.00 1.00 C ATOM 1347 CD2 TRP A 94 9.533 2.769 -0.259 1.00 1.00 C ATOM 1348 NE1 TRP A 94 8.361 4.611 0.214 1.00 1.00 N ATOM 1349 CE2 TRP A 94 8.749 3.759 -0.815 1.00 1.00 C ATOM 1350 CE3 TRP A 94 10.086 1.744 -1.046 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 8.446 3.820 -2.180 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 9.774 1.819 -2.408 1.00 1.00 C ATOM 1353 CH2 TRP A 94 8.986 2.809 -2.983 1.00 1.00 C ATOM 0 H TRP A 94 11.388 4.390 2.736 1.00 1.00 H new ATOM 0 HA TRP A 94 9.356 2.763 3.899 1.00 1.00 H new ATOM 0 HB2 TRP A 94 11.439 2.073 1.843 1.00 1.00 H new ATOM 0 HB3 TRP A 94 9.980 1.173 2.206 1.00 1.00 H new ATOM 0 HD1 TRP A 94 8.787 4.583 2.351 1.00 1.00 H new ATOM 0 HE1 TRP A 94 7.775 5.441 0.123 1.00 1.00 H new ATOM 0 HE3 TRP A 94 10.703 0.960 -0.632 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 7.829 4.605 -2.591 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 10.173 1.054 -3.058 1.00 1.00 H new ATOM 0 HH2 TRP A 94 8.791 2.798 -4.045 1.00 1.00 H new ATOM 1364 N CYS A 95 12.495 2.152 4.627 1.00 1.00 N ATOM 1365 CA CYS A 95 13.371 1.420 5.525 1.00 1.00 C ATOM 1366 C CYS A 95 13.543 2.242 6.804 1.00 1.00 C ATOM 1367 O CYS A 95 14.225 3.265 6.802 1.00 1.00 O ATOM 1368 CB CYS A 95 14.716 1.101 4.868 1.00 1.00 C ATOM 1369 SG CYS A 95 14.754 -0.465 3.921 1.00 1.00 S ATOM 0 H CYS A 95 12.963 2.850 4.049 1.00 1.00 H new ATOM 0 HA CYS A 95 12.922 0.457 5.770 1.00 1.00 H new ATOM 0 HB2 CYS A 95 14.982 1.920 4.200 1.00 1.00 H new ATOM 0 HB3 CYS A 95 15.482 1.060 5.642 1.00 1.00 H new ATOM 1374 N PHE A 96 12.911 1.764 7.866 1.00 1.00 N ATOM 1375 CA PHE A 96 12.984 2.442 9.149 1.00 1.00 C ATOM 1376 C PHE A 96 13.571 1.522 10.223 1.00 1.00 C ATOM 1377 O PHE A 96 14.056 0.435 9.915 1.00 1.00 O ATOM 1378 CB PHE A 96 11.554 2.815 9.541 1.00 1.00 C ATOM 1379 CG PHE A 96 10.531 1.703 9.299 1.00 1.00 C ATOM 1380 CD1 PHE A 96 10.096 1.441 8.037 1.00 1.00 C ATOM 1381 CD2 PHE A 96 10.060 0.973 10.346 1.00 1.00 C ATOM 1382 CE1 PHE A 96 9.148 0.409 7.812 1.00 1.00 C ATOM 1383 CE2 PHE A 96 9.111 -0.059 10.121 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.676 -0.320 8.860 1.00 1.00 C ATOM 0 H PHE A 96 12.346 0.915 7.864 1.00 1.00 H new ATOM 0 HA PHE A 96 13.626 3.320 9.069 1.00 1.00 H new ATOM 0 HB2 PHE A 96 11.537 3.087 10.596 1.00 1.00 H new ATOM 0 HB3 PHE A 96 11.253 3.699 8.979 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.472 2.019 7.206 1.00 1.00 H new ATOM 0 HD2 PHE A 96 10.408 1.178 11.348 1.00 1.00 H new ATOM 0 HE1 PHE A 96 8.801 0.202 6.810 1.00 1.00 H new ATOM 0 HE2 PHE A 96 8.735 -0.637 10.952 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.955 -1.106 8.690 1.00 1.00 H new ATOM 1394 N PHE A 97 13.506 1.993 11.459 1.00 1.00 N ATOM 1395 CA PHE A 97 14.025 1.227 12.579 1.00 1.00 C ATOM 1396 C PHE A 97 12.886 0.680 13.444 1.00 1.00 C ATOM 1397 O PHE A 97 11.982 1.420 13.826 1.00 1.00 O ATOM 1398 CB PHE A 97 14.874 2.181 13.420 1.00 1.00 C ATOM 1399 CG PHE A 97 16.120 2.702 12.702 1.00 1.00 C ATOM 1400 CD1 PHE A 97 16.003 3.659 11.743 1.00 1.00 C ATOM 1401 CD2 PHE A 97 17.347 2.208 13.023 1.00 1.00 C ATOM 1402 CE1 PHE A 97 17.161 4.141 11.076 1.00 1.00 C ATOM 1403 CE2 PHE A 97 18.504 2.690 12.357 1.00 1.00 C ATOM 1404 CZ PHE A 97 18.386 3.647 11.397 1.00 1.00 C ATOM 0 H PHE A 97 13.102 2.895 11.710 1.00 1.00 H new ATOM 0 HA PHE A 97 14.607 0.381 12.213 1.00 1.00 H new ATOM 0 HB2 PHE A 97 14.259 3.029 13.721 1.00 1.00 H new ATOM 0 HB3 PHE A 97 15.180 1.670 14.333 1.00 1.00 H new ATOM 0 HD1 PHE A 97 15.030 4.053 11.488 1.00 1.00 H new ATOM 0 HD2 PHE A 97 17.440 1.449 13.785 1.00 1.00 H new ATOM 0 HE1 PHE A 97 17.068 4.900 10.314 1.00 1.00 H new ATOM 0 HE2 PHE A 97 19.477 2.297 12.612 1.00 1.00 H new ATOM 0 HZ PHE A 97 19.266 4.014 10.890 1.00 1.00 H new ATOM 1414 N PRO A 98 12.971 -0.646 13.733 1.00 1.00 N ATOM 1415 CA PRO A 98 11.959 -1.300 14.545 1.00 1.00 C ATOM 1416 C PRO A 98 12.118 -0.933 16.021 1.00 1.00 C ATOM 1417 O PRO A 98 13.067 -1.363 16.673 1.00 1.00 O ATOM 1418 CB PRO A 98 12.142 -2.786 14.280 1.00 1.00 C ATOM 1419 CG PRO A 98 13.538 -2.936 13.698 1.00 1.00 C ATOM 1420 CD PRO A 98 14.027 -1.554 13.298 1.00 1.00 C ATOM 0 HA PRO A 98 10.947 -0.984 14.290 1.00 1.00 H new ATOM 0 HB2 PRO A 98 12.038 -3.362 15.199 1.00 1.00 H new ATOM 0 HB3 PRO A 98 11.387 -3.155 13.585 1.00 1.00 H new ATOM 0 HG2 PRO A 98 14.211 -3.382 14.430 1.00 1.00 H new ATOM 0 HG3 PRO A 98 13.522 -3.600 12.834 1.00 1.00 H new ATOM 0 HD2 PRO A 98 14.976 -1.316 13.778 1.00 1.00 H new ATOM 0 HD3 PRO A 98 14.188 -1.487 12.222 1.00 1.00 H new ATOM 1428 N MET A 99 11.172 -0.140 16.505 1.00 1.00 N ATOM 1429 CA MET A 99 11.196 0.291 17.893 1.00 1.00 C ATOM 1430 C MET A 99 10.292 1.508 18.104 1.00 1.00 C ATOM 1431 O MET A 99 9.460 1.822 17.255 1.00 1.00 O ATOM 1432 CB MET A 99 12.629 0.644 18.294 1.00 1.00 C ATOM 1433 CG MET A 99 13.357 1.361 17.155 1.00 1.00 C ATOM 1434 SD MET A 99 14.300 2.733 17.799 1.00 1.00 S ATOM 1435 CE MET A 99 15.433 1.856 18.863 1.00 1.00 C ATOM 0 H MET A 99 10.385 0.215 15.961 1.00 1.00 H new ATOM 0 HA MET A 99 10.827 -0.525 18.514 1.00 1.00 H new ATOM 0 HB2 MET A 99 12.616 1.280 19.179 1.00 1.00 H new ATOM 0 HB3 MET A 99 13.170 -0.264 18.561 1.00 1.00 H new ATOM 0 HG2 MET A 99 14.019 0.664 16.640 1.00 1.00 H new ATOM 0 HG3 MET A 99 12.636 1.718 16.420 1.00 1.00 H new ATOM 0 HE1 MET A 99 16.257 2.514 19.138 1.00 1.00 H new ATOM 0 HE2 MET A 99 14.911 1.533 19.764 1.00 1.00 H new ATOM 0 HE3 MET A 99 15.824 0.984 18.338 1.00 1.00 H new ATOM 1445 N SER A 100 10.486 2.159 19.242 1.00 1.00 N ATOM 1446 CA SER A 100 9.699 3.333 19.576 1.00 1.00 C ATOM 1447 C SER A 100 8.557 2.947 20.518 1.00 1.00 C ATOM 1448 O SER A 100 8.325 1.765 20.765 1.00 1.00 O ATOM 1449 CB SER A 100 9.144 4.001 18.316 1.00 1.00 C ATOM 1450 OG SER A 100 7.892 3.443 17.924 1.00 1.00 O ATOM 0 H SER A 100 11.177 1.895 19.944 1.00 1.00 H new ATOM 0 HA SER A 100 10.350 4.049 20.078 1.00 1.00 H new ATOM 0 HB2 SER A 100 9.025 5.070 18.495 1.00 1.00 H new ATOM 0 HB3 SER A 100 9.861 3.892 17.502 1.00 1.00 H new ATOM 0 HG SER A 100 8.038 2.558 17.530 1.00 1.00 H new ATOM 1456 N VAL A 101 7.876 3.967 21.019 1.00 1.00 N ATOM 1457 CA VAL A 101 6.764 3.750 21.929 1.00 1.00 C ATOM 1458 C VAL A 101 6.047 2.452 21.550 1.00 1.00 C ATOM 1459 O VAL A 101 6.457 1.368 21.963 1.00 1.00 O ATOM 1460 CB VAL A 101 5.838 4.967 21.926 1.00 1.00 C ATOM 1461 CG1 VAL A 101 6.242 5.966 23.011 1.00 1.00 C ATOM 1462 CG2 VAL A 101 5.815 5.634 20.548 1.00 1.00 C ATOM 0 H VAL A 101 8.073 4.946 20.812 1.00 1.00 H new ATOM 0 HA VAL A 101 7.124 3.637 22.951 1.00 1.00 H new ATOM 0 HB VAL A 101 4.829 4.621 22.149 1.00 1.00 H new ATOM 0 HG11 VAL A 101 5.567 6.822 22.987 1.00 1.00 H new ATOM 0 HG12 VAL A 101 6.184 5.486 23.988 1.00 1.00 H new ATOM 0 HG13 VAL A 101 7.263 6.304 22.833 1.00 1.00 H new ATOM 0 HG21 VAL A 101 5.149 6.497 20.572 1.00 1.00 H new ATOM 0 HG22 VAL A 101 6.821 5.960 20.285 1.00 1.00 H new ATOM 0 HG23 VAL A 101 5.458 4.921 19.805 1.00 1.00 H new ATOM 1472 N GLU A 102 4.987 2.605 20.769 1.00 1.00 N ATOM 1473 CA GLU A 102 4.209 1.460 20.329 1.00 1.00 C ATOM 1474 C GLU A 102 3.105 1.148 21.341 1.00 1.00 C ATOM 1475 O GLU A 102 2.697 -0.003 21.486 1.00 1.00 O ATOM 1476 CB GLU A 102 5.108 0.241 20.105 1.00 1.00 C ATOM 1477 CG GLU A 102 6.309 0.599 19.228 1.00 1.00 C ATOM 1478 CD GLU A 102 7.489 -0.334 19.508 1.00 1.00 C ATOM 1479 OE1 GLU A 102 7.511 -0.904 20.621 1.00 1.00 O ATOM 1480 OE2 GLU A 102 8.343 -0.456 18.603 1.00 1.00 O ATOM 0 H GLU A 102 4.649 3.506 20.430 1.00 1.00 H new ATOM 0 HA GLU A 102 3.742 1.707 19.376 1.00 1.00 H new ATOM 0 HB2 GLU A 102 5.455 -0.140 21.065 1.00 1.00 H new ATOM 0 HB3 GLU A 102 4.534 -0.557 19.634 1.00 1.00 H new ATOM 0 HG2 GLU A 102 6.029 0.532 18.177 1.00 1.00 H new ATOM 0 HG3 GLU A 102 6.605 1.631 19.414 1.00 1.00 H new ATOM 1487 N ASP A 103 2.652 2.195 22.016 1.00 1.00 N ATOM 1488 CA ASP A 103 1.603 2.047 23.011 1.00 1.00 C ATOM 1489 C ASP A 103 0.239 2.169 22.328 1.00 1.00 C ATOM 1490 O ASP A 103 -0.757 2.486 22.976 1.00 1.00 O ATOM 1491 CB ASP A 103 1.697 3.141 24.076 1.00 1.00 C ATOM 1492 CG ASP A 103 1.197 2.737 25.464 1.00 1.00 C ATOM 1493 OD1 ASP A 103 1.410 1.558 25.822 1.00 1.00 O ATOM 1494 OD2 ASP A 103 0.614 3.615 26.136 1.00 1.00 O ATOM 0 H ASP A 103 2.992 3.149 21.893 1.00 1.00 H new ATOM 0 HA ASP A 103 1.721 1.072 23.484 1.00 1.00 H new ATOM 0 HB2 ASP A 103 2.737 3.458 24.159 1.00 1.00 H new ATOM 0 HB3 ASP A 103 1.126 4.006 23.738 1.00 1.00 H new ATOM 1499 N CYS A 104 0.238 1.908 21.029 1.00 1.00 N ATOM 1500 CA CYS A 104 -0.987 1.984 20.252 1.00 1.00 C ATOM 1501 C CYS A 104 -2.119 1.372 21.079 1.00 1.00 C ATOM 1502 O CYS A 104 -1.868 0.617 22.017 1.00 1.00 O ATOM 1503 CB CYS A 104 -0.838 1.298 18.893 1.00 1.00 C ATOM 1504 SG CYS A 104 0.807 1.488 18.112 1.00 1.00 S ATOM 0 H CYS A 104 1.066 1.644 20.495 1.00 1.00 H new ATOM 0 HA CYS A 104 -1.219 3.027 20.035 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -1.046 0.235 19.014 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -1.594 1.696 18.216 1.00 1.00 H new ATOM 1509 N HIS A 105 -3.340 1.721 20.701 1.00 1.00 N ATOM 1510 CA HIS A 105 -4.512 1.215 21.397 1.00 1.00 C ATOM 1511 C HIS A 105 -5.691 1.138 20.426 1.00 1.00 C ATOM 1512 O HIS A 105 -5.567 1.513 19.261 1.00 1.00 O ATOM 1513 CB HIS A 105 -4.816 2.062 22.635 1.00 1.00 C ATOM 1514 CG HIS A 105 -5.450 3.397 22.323 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -5.102 4.154 21.219 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -6.413 4.102 22.984 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -5.829 5.261 21.224 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -6.640 5.227 22.319 1.00 1.00 N ATOM 0 H HIS A 105 -3.544 2.348 19.922 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.318 0.205 21.759 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -5.479 1.501 23.293 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -3.890 2.230 23.184 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -6.907 3.796 23.894 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -5.787 6.052 20.490 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -7.311 5.948 22.584 1.00 1.00 H new ATOM 1526 N TYR A 106 -6.809 0.649 20.942 1.00 1.00 N ATOM 1527 CA TYR A 106 -8.011 0.518 20.135 1.00 1.00 C ATOM 1528 C TYR A 106 -9.138 1.395 20.683 1.00 1.00 C ATOM 1529 O TYR A 106 -9.006 2.617 20.740 1.00 1.00 O ATOM 1530 CB TYR A 106 -8.429 -0.951 20.237 1.00 1.00 C ATOM 1531 CG TYR A 106 -7.459 -1.922 19.560 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -7.139 -1.761 18.228 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -6.905 -2.959 20.284 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -6.226 -2.675 17.592 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -5.992 -3.872 19.647 1.00 1.00 C ATOM 1536 CZ TYR A 106 -5.698 -3.686 18.332 1.00 1.00 C ATOM 1537 OH TYR A 106 -4.836 -4.549 17.732 1.00 1.00 O ATOM 0 H TYR A 106 -6.908 0.339 21.909 1.00 1.00 H new ATOM 0 HA TYR A 106 -7.819 0.828 19.108 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -8.521 -1.220 21.289 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -9.416 -1.069 19.790 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -7.573 -0.950 17.662 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -7.156 -3.085 21.327 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -5.966 -2.560 16.550 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -5.550 -4.687 20.201 1.00 1.00 H new ATOM 0 HH TYR A 106 -5.294 -5.396 17.551 1.00 1.00 H new