USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 495 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 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 THR OG1 : rot -51:sc= 1.2 USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= 1.05 F(o=-1.3,f=2.2) USER MOD Set 3.1: A 28 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -136:sc= 0.665 (180deg=0.000877) USER MOD Set 4.1: A 40 SER OG : rot 170:sc= 0 USER MOD Set 4.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 34 HIS : no HD1:sc= -0.0613 K(o=0.3,f=-8.3!) USER MOD Set 5.2: A 35 THR OG1 : rot 38:sc= 0.36 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -130:sc=-0.00514 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.0277 (180deg=-0.433) USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -0.0356 (180deg=-0.378) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 61 THR OG1 : rot -75:sc= 1.06 USER MOD Single : A 63 MET CE :methyl -109:sc= -0.694 (180deg=-2.32) USER MOD Single : A 65 MET CE :methyl -178:sc= -2.75 (180deg=-2.82) USER MOD Single : A 69 MET CE :methyl 173:sc= -1.11 (180deg=-1.29) USER MOD Single : A 71 ASN :FLIP amide:sc= -2.97! C(o=-5.1!,f=-3!) USER MOD Single : A 72 ASN : amide:sc= -0.305 K(o=-0.31,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 2.165 -3.362 -2.402 1.00 0.00 N ATOM 2 CA GLY A 25 2.348 -2.017 -1.786 1.00 0.00 C ATOM 3 C GLY A 25 3.757 -1.907 -1.214 1.00 0.00 C ATOM 4 O GLY A 25 3.950 -1.934 0.002 1.00 0.00 O ATOM 0 HA2 GLY A 25 2.185 -1.239 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.611 -1.863 -0.998 1.00 0.00 H new ATOM 7 N PRO A 26 4.736 -1.785 -2.069 1.00 0.00 N ATOM 8 CA PRO A 26 6.165 -1.668 -1.651 1.00 0.00 C ATOM 9 C PRO A 26 6.458 -0.331 -0.975 1.00 0.00 C ATOM 10 O PRO A 26 5.828 0.680 -1.280 1.00 0.00 O ATOM 11 CB PRO A 26 6.938 -1.801 -2.963 1.00 0.00 C ATOM 12 CG PRO A 26 5.985 -1.373 -4.029 1.00 0.00 C ATOM 13 CD PRO A 26 4.587 -1.745 -3.531 1.00 0.00 C ATOM 0 HA PRO A 26 6.440 -2.422 -0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.830 -1.175 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.270 -2.827 -3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.060 -0.301 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.207 -1.872 -4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.844 -1.009 -3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.264 -2.708 -3.927 1.00 0.00 H new ATOM 21 N PHE A 27 7.419 -0.339 -0.056 1.00 0.00 N ATOM 22 CA PHE A 27 7.791 0.877 0.656 1.00 0.00 C ATOM 23 C PHE A 27 9.309 1.038 0.683 1.00 0.00 C ATOM 24 O PHE A 27 10.047 0.054 0.657 1.00 0.00 O ATOM 25 CB PHE A 27 7.251 0.837 2.086 1.00 0.00 C ATOM 26 CG PHE A 27 5.743 0.754 2.051 1.00 0.00 C ATOM 27 CD1 PHE A 27 5.096 -0.405 2.494 1.00 0.00 C ATOM 28 CD2 PHE A 27 4.994 1.836 1.574 1.00 0.00 C ATOM 29 CE1 PHE A 27 3.699 -0.480 2.465 1.00 0.00 C ATOM 30 CE2 PHE A 27 3.596 1.761 1.545 1.00 0.00 C ATOM 31 CZ PHE A 27 2.949 0.602 1.988 1.00 0.00 C ATOM 0 H PHE A 27 7.950 -1.168 0.211 1.00 0.00 H new ATOM 0 HA PHE A 27 7.356 1.728 0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.661 -0.022 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.565 1.728 2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.675 -1.241 2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.494 2.729 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.199 -1.373 2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.017 2.597 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.871 0.542 1.962 1.00 0.00 H new ATOM 41 N CYS A 28 9.768 2.287 0.739 1.00 0.00 N ATOM 42 CA CYS A 28 11.199 2.563 0.771 1.00 0.00 C ATOM 43 C CYS A 28 11.627 3.000 2.170 1.00 0.00 C ATOM 44 O CYS A 28 10.892 3.701 2.864 1.00 0.00 O ATOM 45 CB CYS A 28 11.542 3.658 -0.237 1.00 0.00 C ATOM 46 SG CYS A 28 11.128 3.092 -1.906 1.00 0.00 S ATOM 0 H CYS A 28 9.174 3.116 0.763 1.00 0.00 H new ATOM 0 HA CYS A 28 11.734 1.650 0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 28 10.990 4.569 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.602 3.903 -0.177 1.00 0.00 H new ATOM 0 HG CYS A 28 11.417 4.024 -2.765 1.00 0.00 H new ATOM 52 N GLY A 29 12.820 2.578 2.575 1.00 0.00 N ATOM 53 CA GLY A 29 13.335 2.925 3.894 1.00 0.00 C ATOM 54 C GLY A 29 14.684 2.259 4.147 1.00 0.00 C ATOM 55 O GLY A 29 15.626 2.433 3.374 1.00 0.00 O ATOM 0 H GLY A 29 13.445 1.999 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.439 4.007 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.623 2.615 4.659 1.00 0.00 H new ATOM 59 N ARG A 30 14.766 1.495 5.233 1.00 0.00 N ATOM 60 CA ARG A 30 16.005 0.809 5.575 1.00 0.00 C ATOM 61 C ARG A 30 15.776 -0.697 5.654 1.00 0.00 C ATOM 62 O ARG A 30 14.804 -1.157 6.258 1.00 0.00 O ATOM 63 CB ARG A 30 16.531 1.317 6.920 1.00 0.00 C ATOM 64 CG ARG A 30 18.002 0.930 7.070 1.00 0.00 C ATOM 65 CD ARG A 30 18.868 1.907 6.274 1.00 0.00 C ATOM 66 NE ARG A 30 18.926 3.198 6.948 1.00 0.00 N ATOM 67 CZ ARG A 30 19.628 4.209 6.439 1.00 0.00 C ATOM 68 NH1 ARG A 30 20.283 4.057 5.317 1.00 0.00 N ATOM 69 NH2 ARG A 30 19.665 5.356 7.063 1.00 0.00 N ATOM 0 H ARG A 30 13.997 1.337 5.884 1.00 0.00 H new ATOM 0 HA ARG A 30 16.740 1.016 4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.421 2.400 6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 30 15.947 0.891 7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.288 0.947 8.122 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.160 -0.088 6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.874 1.503 6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.460 2.031 5.271 1.00 0.00 H new ATOM 0 HE ARG A 30 18.421 3.329 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.257 3.162 4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.819 4.834 4.930 1.00 0.00 H new ATOM 0 HH21 ARG A 30 19.157 5.477 7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.202 6.131 6.674 1.00 0.00 H new ATOM 83 N ALA A 31 16.670 -1.462 5.037 1.00 0.00 N ATOM 84 CA ALA A 31 16.549 -2.915 5.043 1.00 0.00 C ATOM 85 C ALA A 31 17.549 -3.535 6.013 1.00 0.00 C ATOM 86 O ALA A 31 18.750 -3.318 5.901 1.00 0.00 O ATOM 87 CB ALA A 31 16.801 -3.463 3.635 1.00 0.00 C ATOM 0 H ALA A 31 17.480 -1.104 4.530 1.00 0.00 H new ATOM 0 HA ALA A 31 15.540 -3.174 5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.709 -4.549 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.069 -3.044 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.804 -3.187 3.311 1.00 0.00 H new ATOM 93 N ARG A 32 17.042 -4.304 6.967 1.00 0.00 N ATOM 94 CA ARG A 32 17.898 -4.950 7.955 1.00 0.00 C ATOM 95 C ARG A 32 17.995 -6.446 7.688 1.00 0.00 C ATOM 96 O ARG A 32 16.980 -7.131 7.543 1.00 0.00 O ATOM 97 CB ARG A 32 17.342 -4.719 9.362 1.00 0.00 C ATOM 98 CG ARG A 32 18.303 -5.311 10.393 1.00 0.00 C ATOM 99 CD ARG A 32 17.803 -4.983 11.801 1.00 0.00 C ATOM 100 NE ARG A 32 18.736 -5.505 12.796 1.00 0.00 N ATOM 101 CZ ARG A 32 18.716 -6.785 13.156 1.00 0.00 C ATOM 102 NH1 ARG A 32 17.857 -7.610 12.613 1.00 0.00 N ATOM 103 NH2 ARG A 32 19.561 -7.224 14.051 1.00 0.00 N ATOM 0 H ARG A 32 16.046 -4.496 7.078 1.00 0.00 H new ATOM 0 HA ARG A 32 18.894 -4.514 7.880 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.211 -3.652 9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.360 -5.182 9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.374 -6.391 10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.305 -4.906 10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.700 -3.904 11.917 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.814 -5.416 11.955 1.00 0.00 H new ATOM 0 HE ARG A 32 19.416 -4.876 13.223 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.199 -7.272 11.911 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.845 -8.591 12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 32 20.235 -6.585 14.473 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.547 -8.206 14.328 1.00 0.00 H new ATOM 117 N VAL A 33 19.222 -6.950 7.597 1.00 0.00 N ATOM 118 CA VAL A 33 19.438 -8.368 7.330 1.00 0.00 C ATOM 119 C VAL A 33 19.291 -9.176 8.615 1.00 0.00 C ATOM 120 O VAL A 33 19.953 -8.898 9.611 1.00 0.00 O ATOM 121 CB VAL A 33 20.836 -8.581 6.743 1.00 0.00 C ATOM 122 CG1 VAL A 33 21.049 -10.069 6.459 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.969 -7.788 5.439 1.00 0.00 C ATOM 0 H VAL A 33 20.076 -6.402 7.703 1.00 0.00 H new ATOM 0 HA VAL A 33 18.691 -8.707 6.612 1.00 0.00 H new ATOM 0 HB VAL A 33 21.585 -8.236 7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 33 22.044 -10.221 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.955 -10.634 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.300 -10.414 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.964 -7.939 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.220 -8.132 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.818 -6.728 5.641 1.00 0.00 H new ATOM 133 N HIS A 34 18.426 -10.181 8.579 1.00 0.00 N ATOM 134 CA HIS A 34 18.205 -11.030 9.743 1.00 0.00 C ATOM 135 C HIS A 34 18.607 -12.473 9.443 1.00 0.00 C ATOM 136 O HIS A 34 18.726 -13.295 10.351 1.00 0.00 O ATOM 137 CB HIS A 34 16.732 -10.984 10.148 1.00 0.00 C ATOM 138 CG HIS A 34 15.879 -11.448 8.998 1.00 0.00 C ATOM 139 ND1 HIS A 34 15.666 -12.789 8.732 1.00 0.00 N ATOM 140 CD2 HIS A 34 15.181 -10.759 8.038 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.870 -12.867 7.649 1.00 0.00 C ATOM 142 NE2 HIS A 34 14.544 -11.658 7.186 1.00 0.00 N ATOM 0 H HIS A 34 17.868 -10.428 7.761 1.00 0.00 H new ATOM 0 HA HIS A 34 18.821 -10.658 10.562 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.563 -11.618 11.018 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.454 -9.970 10.434 1.00 0.00 H new ATOM 0 HD2 HIS A 34 15.133 -9.683 7.956 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.536 -13.795 7.208 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.956 -11.440 6.382 1.00 0.00 H new ATOM 150 N THR A 35 18.815 -12.773 8.161 1.00 0.00 N ATOM 151 CA THR A 35 19.201 -14.117 7.755 1.00 0.00 C ATOM 152 C THR A 35 20.482 -14.079 6.928 1.00 0.00 C ATOM 153 O THR A 35 20.628 -13.252 6.029 1.00 0.00 O ATOM 154 CB THR A 35 18.081 -14.759 6.938 1.00 0.00 C ATOM 155 OG1 THR A 35 16.914 -14.866 7.736 1.00 0.00 O ATOM 156 CG2 THR A 35 18.513 -16.148 6.473 1.00 0.00 C ATOM 0 H THR A 35 18.723 -12.107 7.394 1.00 0.00 H new ATOM 0 HA THR A 35 19.379 -14.710 8.652 1.00 0.00 H new ATOM 0 HB THR A 35 17.869 -14.139 6.067 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.832 -14.071 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 35 17.711 -16.602 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.407 -16.063 5.855 1.00 0.00 H new ATOM 0 HG23 THR A 35 18.729 -16.771 7.341 1.00 0.00 H new ATOM 164 N ASP A 36 21.409 -14.976 7.243 1.00 0.00 N ATOM 165 CA ASP A 36 22.676 -15.032 6.524 1.00 0.00 C ATOM 166 C ASP A 36 22.463 -15.523 5.094 1.00 0.00 C ATOM 167 O ASP A 36 21.932 -16.609 4.872 1.00 0.00 O ATOM 168 CB ASP A 36 23.643 -15.972 7.246 1.00 0.00 C ATOM 169 CG ASP A 36 25.015 -15.929 6.573 1.00 0.00 C ATOM 170 OD1 ASP A 36 25.127 -15.312 5.528 1.00 0.00 O ATOM 171 OD2 ASP A 36 25.937 -16.516 7.116 1.00 0.00 O ATOM 0 H ASP A 36 21.309 -15.669 7.985 1.00 0.00 H new ATOM 0 HA ASP A 36 23.097 -14.027 6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.733 -15.681 8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.253 -16.990 7.231 1.00 0.00 H new ATOM 176 N PHE A 37 22.889 -14.712 4.128 1.00 0.00 N ATOM 177 CA PHE A 37 22.749 -15.073 2.722 1.00 0.00 C ATOM 178 C PHE A 37 23.721 -16.194 2.366 1.00 0.00 C ATOM 179 O PHE A 37 24.884 -16.180 2.782 1.00 0.00 O ATOM 180 CB PHE A 37 23.020 -13.858 1.838 1.00 0.00 C ATOM 181 CG PHE A 37 22.576 -14.149 0.426 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.359 -13.638 -0.043 1.00 0.00 C ATOM 183 CD2 PHE A 37 23.369 -14.941 -0.410 1.00 0.00 C ATOM 184 CE1 PHE A 37 20.945 -13.909 -1.351 1.00 0.00 C ATOM 185 CE2 PHE A 37 22.956 -15.213 -1.718 1.00 0.00 C ATOM 186 CZ PHE A 37 21.740 -14.701 -2.188 1.00 0.00 C ATOM 0 H PHE A 37 23.331 -13.807 4.293 1.00 0.00 H new ATOM 0 HA PHE A 37 21.729 -15.419 2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 37 22.489 -12.989 2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 37 24.082 -13.615 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 37 20.741 -13.035 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 37 24.302 -15.343 -0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 37 20.011 -13.507 -1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 37 23.574 -15.817 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.416 -14.917 -3.195 1.00 0.00 H new ATOM 196 N THR A 38 23.245 -17.166 1.594 1.00 0.00 N ATOM 197 CA THR A 38 24.080 -18.291 1.195 1.00 0.00 C ATOM 198 C THR A 38 24.197 -18.355 -0.330 1.00 0.00 C ATOM 199 O THR A 38 23.349 -18.951 -1.000 1.00 0.00 O ATOM 200 CB THR A 38 23.485 -19.596 1.717 1.00 0.00 C ATOM 201 OG1 THR A 38 23.354 -19.515 3.130 1.00 0.00 O ATOM 202 CG2 THR A 38 24.406 -20.763 1.357 1.00 0.00 C ATOM 0 H THR A 38 22.291 -17.197 1.235 1.00 0.00 H new ATOM 0 HA THR A 38 25.073 -18.151 1.621 1.00 0.00 H new ATOM 0 HB THR A 38 22.507 -19.758 1.264 1.00 0.00 H new ATOM 0 HG1 THR A 38 22.971 -20.350 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 38 23.978 -21.693 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 38 24.512 -20.822 0.274 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.385 -20.606 1.809 1.00 0.00 H new ATOM 210 N PRO A 39 25.220 -17.753 -0.884 1.00 0.00 N ATOM 211 CA PRO A 39 25.451 -17.742 -2.351 1.00 0.00 C ATOM 212 C PRO A 39 25.937 -19.089 -2.874 1.00 0.00 C ATOM 213 O PRO A 39 26.586 -19.847 -2.156 1.00 0.00 O ATOM 214 CB PRO A 39 26.516 -16.659 -2.533 1.00 0.00 C ATOM 215 CG PRO A 39 27.261 -16.608 -1.242 1.00 0.00 C ATOM 216 CD PRO A 39 26.279 -17.032 -0.153 1.00 0.00 C ATOM 0 HA PRO A 39 24.536 -17.547 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 39 27.183 -16.900 -3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 39 26.060 -15.695 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 39 28.124 -17.274 -1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 39 27.639 -15.603 -1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 39 26.758 -17.672 0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 39 25.879 -16.170 0.381 1.00 0.00 H new ATOM 224 N SER A 40 25.626 -19.374 -4.134 1.00 0.00 N ATOM 225 CA SER A 40 26.038 -20.624 -4.747 1.00 0.00 C ATOM 226 C SER A 40 27.519 -20.581 -5.118 1.00 0.00 C ATOM 227 O SER A 40 28.113 -19.513 -5.249 1.00 0.00 O ATOM 228 CB SER A 40 25.206 -20.899 -6.000 1.00 0.00 C ATOM 229 OG SER A 40 23.863 -21.156 -5.619 1.00 0.00 O ATOM 0 H SER A 40 25.092 -18.757 -4.746 1.00 0.00 H new ATOM 0 HA SER A 40 25.878 -21.424 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 40 25.248 -20.044 -6.675 1.00 0.00 H new ATOM 0 HB3 SER A 40 25.613 -21.753 -6.542 1.00 0.00 H new ATOM 0 HG SER A 40 23.294 -21.173 -6.417 1.00 0.00 H new ATOM 235 N PRO A 41 28.123 -21.723 -5.297 1.00 0.00 N ATOM 236 CA PRO A 41 29.568 -21.824 -5.664 1.00 0.00 C ATOM 237 C PRO A 41 29.884 -21.032 -6.932 1.00 0.00 C ATOM 238 O PRO A 41 30.949 -20.427 -7.052 1.00 0.00 O ATOM 239 CB PRO A 41 29.777 -23.323 -5.902 1.00 0.00 C ATOM 240 CG PRO A 41 28.700 -23.997 -5.120 1.00 0.00 C ATOM 241 CD PRO A 41 27.507 -23.051 -5.148 1.00 0.00 C ATOM 0 HA PRO A 41 30.219 -21.414 -4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 41 29.706 -23.567 -6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 41 30.764 -23.641 -5.567 1.00 0.00 H new ATOM 0 HG2 PRO A 41 28.444 -24.961 -5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 41 29.022 -24.188 -4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 41 26.835 -23.277 -5.976 1.00 0.00 H new ATOM 0 HD3 PRO A 41 26.919 -23.120 -4.233 1.00 0.00 H new ATOM 249 N TYR A 42 28.955 -21.049 -7.887 1.00 0.00 N ATOM 250 CA TYR A 42 29.151 -20.334 -9.143 1.00 0.00 C ATOM 251 C TYR A 42 28.593 -18.914 -9.047 1.00 0.00 C ATOM 252 O TYR A 42 28.411 -18.241 -10.063 1.00 0.00 O ATOM 253 CB TYR A 42 28.454 -21.078 -10.286 1.00 0.00 C ATOM 254 CG TYR A 42 27.000 -21.282 -9.939 1.00 0.00 C ATOM 255 CD1 TYR A 42 26.075 -20.262 -10.185 1.00 0.00 C ATOM 256 CD2 TYR A 42 26.576 -22.493 -9.379 1.00 0.00 C ATOM 257 CE1 TYR A 42 24.726 -20.449 -9.863 1.00 0.00 C ATOM 258 CE2 TYR A 42 25.227 -22.680 -9.056 1.00 0.00 C ATOM 259 CZ TYR A 42 24.301 -21.659 -9.303 1.00 0.00 C ATOM 260 OH TYR A 42 22.970 -21.844 -8.986 1.00 0.00 O ATOM 0 H TYR A 42 28.067 -21.546 -7.815 1.00 0.00 H new ATOM 0 HA TYR A 42 30.221 -20.281 -9.342 1.00 0.00 H new ATOM 0 HB2 TYR A 42 28.542 -20.509 -11.212 1.00 0.00 H new ATOM 0 HB3 TYR A 42 28.937 -22.040 -10.456 1.00 0.00 H new ATOM 0 HD1 TYR A 42 26.402 -19.331 -10.623 1.00 0.00 H new ATOM 0 HD2 TYR A 42 27.290 -23.283 -9.196 1.00 0.00 H new ATOM 0 HE1 TYR A 42 24.013 -19.659 -10.047 1.00 0.00 H new ATOM 0 HE2 TYR A 42 24.901 -23.611 -8.617 1.00 0.00 H new ATOM 0 HH TYR A 42 22.845 -22.739 -8.607 1.00 0.00 H new ATOM 270 N ASP A 43 28.340 -18.463 -7.822 1.00 0.00 N ATOM 271 CA ASP A 43 27.820 -17.121 -7.606 1.00 0.00 C ATOM 272 C ASP A 43 28.894 -16.231 -6.986 1.00 0.00 C ATOM 273 O ASP A 43 29.067 -16.207 -5.767 1.00 0.00 O ATOM 274 CB ASP A 43 26.599 -17.173 -6.687 1.00 0.00 C ATOM 275 CG ASP A 43 25.320 -17.089 -7.509 1.00 0.00 C ATOM 276 OD1 ASP A 43 25.367 -17.424 -8.681 1.00 0.00 O ATOM 277 OD2 ASP A 43 24.314 -16.676 -6.958 1.00 0.00 O ATOM 0 H ASP A 43 28.486 -19.005 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 43 27.526 -16.703 -8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 43 26.609 -18.097 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 43 26.636 -16.350 -5.973 1.00 0.00 H new ATOM 282 N THR A 44 29.608 -15.495 -7.833 1.00 0.00 N ATOM 283 CA THR A 44 30.662 -14.603 -7.354 1.00 0.00 C ATOM 284 C THR A 44 30.198 -13.151 -7.397 1.00 0.00 C ATOM 285 O THR A 44 30.719 -12.303 -6.672 1.00 0.00 O ATOM 286 CB THR A 44 31.910 -14.763 -8.220 1.00 0.00 C ATOM 287 OG1 THR A 44 31.615 -14.363 -9.552 1.00 0.00 O ATOM 288 CG2 THR A 44 32.354 -16.226 -8.215 1.00 0.00 C ATOM 0 H THR A 44 29.479 -15.497 -8.845 1.00 0.00 H new ATOM 0 HA THR A 44 30.895 -14.868 -6.323 1.00 0.00 H new ATOM 0 HB THR A 44 32.711 -14.141 -7.820 1.00 0.00 H new ATOM 0 HG1 THR A 44 32.415 -14.463 -10.109 1.00 0.00 H new ATOM 0 HG21 THR A 44 33.245 -16.338 -8.833 1.00 0.00 H new ATOM 0 HG22 THR A 44 32.580 -16.534 -7.194 1.00 0.00 H new ATOM 0 HG23 THR A 44 31.554 -16.850 -8.614 1.00 0.00 H new ATOM 296 N ASP A 45 29.208 -12.874 -8.239 1.00 0.00 N ATOM 297 CA ASP A 45 28.672 -11.522 -8.354 1.00 0.00 C ATOM 298 C ASP A 45 27.569 -11.289 -7.323 1.00 0.00 C ATOM 299 O ASP A 45 26.905 -10.251 -7.335 1.00 0.00 O ATOM 300 CB ASP A 45 28.114 -11.301 -9.761 1.00 0.00 C ATOM 301 CG ASP A 45 27.884 -9.814 -10.002 1.00 0.00 C ATOM 302 OD1 ASP A 45 28.194 -9.033 -9.116 1.00 0.00 O ATOM 303 OD2 ASP A 45 27.400 -9.475 -11.068 1.00 0.00 O ATOM 0 H ASP A 45 28.763 -13.561 -8.847 1.00 0.00 H new ATOM 0 HA ASP A 45 29.480 -10.815 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 45 28.809 -11.695 -10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.178 -11.846 -9.880 1.00 0.00 H new ATOM 308 N SER A 46 27.380 -12.258 -6.428 1.00 0.00 N ATOM 309 CA SER A 46 26.358 -12.144 -5.399 1.00 0.00 C ATOM 310 C SER A 46 26.766 -11.108 -4.356 1.00 0.00 C ATOM 311 O SER A 46 27.941 -10.767 -4.231 1.00 0.00 O ATOM 312 CB SER A 46 26.149 -13.498 -4.722 1.00 0.00 C ATOM 313 OG SER A 46 27.300 -13.818 -3.949 1.00 0.00 O ATOM 0 H SER A 46 27.919 -13.123 -6.398 1.00 0.00 H new ATOM 0 HA SER A 46 25.427 -11.825 -5.868 1.00 0.00 H new ATOM 0 HB2 SER A 46 25.265 -13.467 -4.084 1.00 0.00 H new ATOM 0 HB3 SER A 46 25.974 -14.270 -5.472 1.00 0.00 H new ATOM 0 HG SER A 46 27.596 -14.727 -4.164 1.00 0.00 H new ATOM 319 N LEU A 47 25.784 -10.608 -3.609 1.00 0.00 N ATOM 320 CA LEU A 47 26.050 -9.612 -2.581 1.00 0.00 C ATOM 321 C LEU A 47 26.317 -10.292 -1.242 1.00 0.00 C ATOM 322 O LEU A 47 25.613 -11.225 -0.855 1.00 0.00 O ATOM 323 CB LEU A 47 24.858 -8.661 -2.452 1.00 0.00 C ATOM 324 CG LEU A 47 25.174 -7.580 -1.415 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.349 -6.727 -1.905 1.00 0.00 C ATOM 326 CD2 LEU A 47 23.947 -6.693 -1.219 1.00 0.00 C ATOM 0 H LEU A 47 24.804 -10.876 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 47 26.933 -9.041 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.640 -8.202 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.968 -9.215 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 47 25.439 -8.050 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.573 -5.958 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.225 -7.361 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.086 -6.255 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.169 -5.922 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.683 -6.223 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.112 -7.300 -0.870 1.00 0.00 H new ATOM 338 N LYS A 48 27.324 -9.807 -0.532 1.00 0.00 N ATOM 339 CA LYS A 48 27.676 -10.371 0.769 1.00 0.00 C ATOM 340 C LYS A 48 26.984 -9.605 1.897 1.00 0.00 C ATOM 341 O LYS A 48 27.140 -8.391 2.026 1.00 0.00 O ATOM 342 CB LYS A 48 29.193 -10.321 0.975 1.00 0.00 C ATOM 343 CG LYS A 48 29.730 -8.962 0.516 1.00 0.00 C ATOM 344 CD LYS A 48 31.153 -8.771 1.029 1.00 0.00 C ATOM 345 CE LYS A 48 32.067 -9.824 0.401 1.00 0.00 C ATOM 346 NZ LYS A 48 33.471 -9.581 0.836 1.00 0.00 N ATOM 0 H LYS A 48 27.911 -9.028 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 48 27.341 -11.408 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.433 -10.482 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.673 -11.122 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.715 -8.903 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.089 -8.163 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 48 31.509 -7.771 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 48 31.174 -8.857 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.749 -10.823 0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.998 -9.780 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 34.095 -10.296 0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 33.770 -8.633 0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 33.529 -9.644 1.872 1.00 0.00 H new ATOM 360 N ILE A 49 26.221 -10.324 2.713 1.00 0.00 N ATOM 361 CA ILE A 49 25.514 -9.699 3.827 1.00 0.00 C ATOM 362 C ILE A 49 25.579 -10.583 5.066 1.00 0.00 C ATOM 363 O ILE A 49 25.822 -11.787 4.968 1.00 0.00 O ATOM 364 CB ILE A 49 24.054 -9.454 3.441 1.00 0.00 C ATOM 365 CG1 ILE A 49 23.333 -10.797 3.288 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.993 -8.695 2.113 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.861 -10.554 2.949 1.00 0.00 C ATOM 0 H ILE A 49 26.076 -11.330 2.627 1.00 0.00 H new ATOM 0 HA ILE A 49 25.994 -8.747 4.054 1.00 0.00 H new ATOM 0 HB ILE A 49 23.570 -8.865 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 49 23.805 -11.387 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 49 23.414 -11.372 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.952 -8.522 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 49 24.505 -7.738 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 49 24.479 -9.284 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 49 21.350 -11.511 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 49 21.393 -9.981 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.790 -9.997 2.015 1.00 0.00 H new ATOM 379 N LYS A 50 25.347 -9.984 6.228 1.00 0.00 N ATOM 380 CA LYS A 50 25.371 -10.731 7.479 1.00 0.00 C ATOM 381 C LYS A 50 24.312 -10.202 8.441 1.00 0.00 C ATOM 382 O LYS A 50 24.070 -8.999 8.511 1.00 0.00 O ATOM 383 CB LYS A 50 26.751 -10.623 8.126 1.00 0.00 C ATOM 384 CG LYS A 50 26.780 -11.459 9.407 1.00 0.00 C ATOM 385 CD LYS A 50 28.182 -11.405 10.018 1.00 0.00 C ATOM 386 CE LYS A 50 28.200 -12.194 11.328 1.00 0.00 C ATOM 387 NZ LYS A 50 27.927 -13.633 11.044 1.00 0.00 N ATOM 0 H LYS A 50 25.142 -8.990 6.330 1.00 0.00 H new ATOM 0 HA LYS A 50 25.155 -11.776 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.517 -10.972 7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.977 -9.581 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.046 -11.080 10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 50 26.507 -12.491 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.910 -11.821 9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.471 -10.370 10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.168 -12.086 11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.450 -11.799 12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 28.217 -14.209 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.910 -13.766 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.464 -13.929 10.204 1.00 0.00 H new ATOM 401 N LYS A 51 23.677 -11.109 9.176 1.00 0.00 N ATOM 402 CA LYS A 51 22.640 -10.718 10.125 1.00 0.00 C ATOM 403 C LYS A 51 23.123 -9.568 11.008 1.00 0.00 C ATOM 404 O LYS A 51 24.246 -9.585 11.508 1.00 0.00 O ATOM 405 CB LYS A 51 22.270 -11.913 11.008 1.00 0.00 C ATOM 406 CG LYS A 51 23.496 -12.362 11.805 1.00 0.00 C ATOM 407 CD LYS A 51 23.161 -13.633 12.587 1.00 0.00 C ATOM 408 CE LYS A 51 24.413 -14.131 13.312 1.00 0.00 C ATOM 409 NZ LYS A 51 24.838 -13.119 14.321 1.00 0.00 N ATOM 0 H LYS A 51 23.860 -12.112 9.134 1.00 0.00 H new ATOM 0 HA LYS A 51 21.766 -10.388 9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 51 21.462 -11.640 11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 51 21.904 -12.734 10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 51 24.333 -12.547 11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 51 23.807 -11.573 12.490 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.367 -13.432 13.306 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.790 -14.402 11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.209 -15.084 13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.216 -14.306 12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 25.491 -13.559 15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 25.317 -12.330 13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.003 -12.761 14.827 1.00 0.00 H new ATOM 423 N GLY A 52 22.270 -8.565 11.178 1.00 0.00 N ATOM 424 CA GLY A 52 22.618 -7.407 11.990 1.00 0.00 C ATOM 425 C GLY A 52 23.093 -6.246 11.120 1.00 0.00 C ATOM 426 O GLY A 52 23.085 -5.093 11.548 1.00 0.00 O ATOM 0 H GLY A 52 21.337 -8.530 10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.752 -7.096 12.575 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.401 -7.678 12.698 1.00 0.00 H new ATOM 430 N ASP A 53 23.500 -6.559 9.893 1.00 0.00 N ATOM 431 CA ASP A 53 23.964 -5.534 8.967 1.00 0.00 C ATOM 432 C ASP A 53 22.790 -4.724 8.425 1.00 0.00 C ATOM 433 O ASP A 53 21.660 -5.212 8.368 1.00 0.00 O ATOM 434 CB ASP A 53 24.713 -6.182 7.802 1.00 0.00 C ATOM 435 CG ASP A 53 26.062 -6.708 8.278 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.454 -6.363 9.380 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.685 -7.445 7.531 1.00 0.00 O ATOM 0 H ASP A 53 23.518 -7.508 9.520 1.00 0.00 H new ATOM 0 HA ASP A 53 24.634 -4.865 9.507 1.00 0.00 H new ATOM 0 HB2 ASP A 53 24.121 -6.998 7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.858 -5.455 7.003 1.00 0.00 H new ATOM 442 N ILE A 54 23.062 -3.481 8.035 1.00 0.00 N ATOM 443 CA ILE A 54 22.020 -2.613 7.497 1.00 0.00 C ATOM 444 C ILE A 54 22.297 -2.297 6.031 1.00 0.00 C ATOM 445 O ILE A 54 23.383 -1.842 5.680 1.00 0.00 O ATOM 446 CB ILE A 54 21.955 -1.312 8.298 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.804 -1.639 9.788 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.755 -0.487 7.834 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.525 -2.456 10.015 1.00 0.00 C ATOM 0 H ILE A 54 23.988 -3.056 8.081 1.00 0.00 H new ATOM 0 HA ILE A 54 21.064 -3.132 7.574 1.00 0.00 H new ATOM 0 HB ILE A 54 22.870 -0.741 8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.671 -2.200 10.136 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.766 -0.718 10.370 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.708 0.440 8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.860 -0.256 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.839 -1.056 7.992 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.423 -2.685 11.076 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.661 -1.879 9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.581 -3.385 9.447 1.00 0.00 H new ATOM 461 N ILE A 55 21.309 -2.548 5.182 1.00 0.00 N ATOM 462 CA ILE A 55 21.454 -2.298 3.751 1.00 0.00 C ATOM 463 C ILE A 55 20.561 -1.142 3.313 1.00 0.00 C ATOM 464 O ILE A 55 19.388 -1.078 3.679 1.00 0.00 O ATOM 465 CB ILE A 55 21.091 -3.554 2.960 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.027 -4.696 3.358 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.240 -3.274 1.463 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.510 -6.010 2.770 1.00 0.00 C ATOM 0 H ILE A 55 20.401 -2.923 5.456 1.00 0.00 H new ATOM 0 HA ILE A 55 22.493 -2.033 3.554 1.00 0.00 H new ATOM 0 HB ILE A 55 20.061 -3.835 3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.036 -4.496 2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.086 -4.770 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 55 20.981 -4.169 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.574 -2.460 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.271 -2.993 1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.178 -6.823 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.510 -6.211 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.474 -5.933 1.683 1.00 0.00 H new ATOM 480 N ASP A 56 21.129 -0.231 2.529 1.00 0.00 N ATOM 481 CA ASP A 56 20.373 0.922 2.047 1.00 0.00 C ATOM 482 C ASP A 56 19.505 0.534 0.856 1.00 0.00 C ATOM 483 O ASP A 56 20.016 0.217 -0.217 1.00 0.00 O ATOM 484 CB ASP A 56 21.331 2.041 1.637 1.00 0.00 C ATOM 485 CG ASP A 56 20.542 3.246 1.138 1.00 0.00 C ATOM 486 OD1 ASP A 56 19.876 3.870 1.946 1.00 0.00 O ATOM 487 OD2 ASP A 56 20.615 3.525 -0.048 1.00 0.00 O ATOM 0 H ASP A 56 22.099 -0.266 2.216 1.00 0.00 H new ATOM 0 HA ASP A 56 19.729 1.272 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.952 2.328 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 56 22.003 1.687 0.855 1.00 0.00 H new ATOM 492 N ILE A 57 18.191 0.551 1.055 1.00 0.00 N ATOM 493 CA ILE A 57 17.264 0.191 -0.011 1.00 0.00 C ATOM 494 C ILE A 57 17.376 1.175 -1.171 1.00 0.00 C ATOM 495 O ILE A 57 17.221 2.383 -0.991 1.00 0.00 O ATOM 496 CB ILE A 57 15.829 0.196 0.523 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.689 -0.870 1.615 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.856 -0.114 -0.615 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.336 -0.713 2.313 1.00 0.00 C ATOM 0 H ILE A 57 17.747 0.808 1.937 1.00 0.00 H new ATOM 0 HA ILE A 57 17.518 -0.807 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 57 15.601 1.178 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.771 -1.865 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.497 -0.772 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.835 -0.110 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.955 0.642 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.084 -1.095 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.237 -1.471 3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.272 0.278 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.534 -0.833 1.584 1.00 0.00 H new ATOM 511 N ILE A 58 17.643 0.647 -2.362 1.00 0.00 N ATOM 512 CA ILE A 58 17.770 1.486 -3.547 1.00 0.00 C ATOM 513 C ILE A 58 16.554 1.326 -4.451 1.00 0.00 C ATOM 514 O ILE A 58 15.895 2.304 -4.802 1.00 0.00 O ATOM 515 CB ILE A 58 19.036 1.108 -4.318 1.00 0.00 C ATOM 516 CG1 ILE A 58 20.267 1.469 -3.483 1.00 0.00 C ATOM 517 CG2 ILE A 58 19.076 1.877 -5.640 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.509 0.819 -4.096 1.00 0.00 C ATOM 0 H ILE A 58 17.775 -0.350 -2.531 1.00 0.00 H new ATOM 0 HA ILE A 58 17.835 2.526 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 58 19.033 0.037 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.390 2.551 -3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 58 20.135 1.129 -2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.978 1.608 -6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.199 1.623 -6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.080 2.948 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.385 1.076 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.384 -0.264 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.643 1.181 -5.115 1.00 0.00 H new ATOM 530 N CYS A 59 16.263 0.083 -4.824 1.00 0.00 N ATOM 531 CA CYS A 59 15.123 -0.195 -5.691 1.00 0.00 C ATOM 532 C CYS A 59 14.729 -1.667 -5.605 1.00 0.00 C ATOM 533 O CYS A 59 15.437 -2.476 -5.005 1.00 0.00 O ATOM 534 CB CYS A 59 15.461 0.163 -7.138 1.00 0.00 C ATOM 535 SG CYS A 59 16.789 -0.909 -7.731 1.00 0.00 S ATOM 0 H CYS A 59 16.795 -0.740 -4.543 1.00 0.00 H new ATOM 0 HA CYS A 59 14.283 0.414 -5.357 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.579 0.048 -7.768 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.766 1.207 -7.203 1.00 0.00 H new ATOM 0 HG CYS A 59 17.074 -0.606 -8.962 1.00 0.00 H new ATOM 541 N LYS A 60 13.596 -2.009 -6.208 1.00 0.00 N ATOM 542 CA LYS A 60 13.121 -3.389 -6.195 1.00 0.00 C ATOM 543 C LYS A 60 13.093 -3.958 -7.611 1.00 0.00 C ATOM 544 O LYS A 60 12.828 -3.239 -8.575 1.00 0.00 O ATOM 545 CB LYS A 60 11.720 -3.455 -5.589 1.00 0.00 C ATOM 546 CG LYS A 60 11.823 -3.429 -4.063 1.00 0.00 C ATOM 547 CD LYS A 60 11.785 -1.980 -3.572 1.00 0.00 C ATOM 548 CE LYS A 60 10.645 -1.813 -2.565 1.00 0.00 C ATOM 549 NZ LYS A 60 10.473 -0.368 -2.246 1.00 0.00 N ATOM 0 H LYS A 60 12.993 -1.356 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 60 13.805 -3.983 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.121 -2.614 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.214 -4.364 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.002 -3.995 -3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.748 -3.908 -3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.736 -1.717 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.643 -1.303 -4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.720 -2.218 -2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.863 -2.374 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.349 -0.251 -1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.315 0.158 -2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.635 -0.001 -2.740 1.00 0.00 H new ATOM 563 N THR A 61 13.370 -5.254 -7.727 1.00 0.00 N ATOM 564 CA THR A 61 13.378 -5.903 -9.031 1.00 0.00 C ATOM 565 C THR A 61 12.089 -6.691 -9.244 1.00 0.00 C ATOM 566 O THR A 61 11.446 -7.121 -8.288 1.00 0.00 O ATOM 567 CB THR A 61 14.581 -6.847 -9.137 1.00 0.00 C ATOM 568 OG1 THR A 61 14.466 -7.873 -8.166 1.00 0.00 O ATOM 569 CG2 THR A 61 15.869 -6.058 -8.903 1.00 0.00 C ATOM 0 H THR A 61 13.589 -5.868 -6.943 1.00 0.00 H new ATOM 0 HA THR A 61 13.451 -5.134 -9.800 1.00 0.00 H new ATOM 0 HB THR A 61 14.607 -7.294 -10.131 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.679 -7.511 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.725 -6.728 -8.978 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.956 -5.273 -9.654 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.846 -5.609 -7.910 1.00 0.00 H new ATOM 577 N PRO A 62 11.716 -6.899 -10.475 1.00 0.00 N ATOM 578 CA PRO A 62 10.482 -7.658 -10.832 1.00 0.00 C ATOM 579 C PRO A 62 10.547 -9.113 -10.373 1.00 0.00 C ATOM 580 O PRO A 62 9.518 -9.764 -10.198 1.00 0.00 O ATOM 581 CB PRO A 62 10.426 -7.573 -12.362 1.00 0.00 C ATOM 582 CG PRO A 62 11.819 -7.260 -12.793 1.00 0.00 C ATOM 583 CD PRO A 62 12.424 -6.427 -11.674 1.00 0.00 C ATOM 0 HA PRO A 62 9.598 -7.245 -10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.083 -8.512 -12.795 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.731 -6.799 -12.687 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.392 -8.173 -12.954 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.823 -6.711 -13.735 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.500 -6.584 -11.593 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.269 -5.361 -11.838 1.00 0.00 H new ATOM 591 N MET A 63 11.763 -9.609 -10.171 1.00 0.00 N ATOM 592 CA MET A 63 11.950 -10.983 -9.721 1.00 0.00 C ATOM 593 C MET A 63 11.634 -11.116 -8.234 1.00 0.00 C ATOM 594 O MET A 63 11.541 -12.222 -7.706 1.00 0.00 O ATOM 595 CB MET A 63 13.394 -11.423 -9.979 1.00 0.00 C ATOM 596 CG MET A 63 13.663 -11.446 -11.486 1.00 0.00 C ATOM 597 SD MET A 63 12.612 -12.693 -12.277 1.00 0.00 S ATOM 598 CE MET A 63 11.369 -11.558 -12.939 1.00 0.00 C ATOM 0 H MET A 63 12.627 -9.085 -10.310 1.00 0.00 H new ATOM 0 HA MET A 63 11.267 -11.622 -10.280 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.086 -10.740 -9.486 1.00 0.00 H new ATOM 0 HB3 MET A 63 13.565 -12.412 -9.554 1.00 0.00 H new ATOM 0 HG2 MET A 63 13.464 -10.464 -11.915 1.00 0.00 H new ATOM 0 HG3 MET A 63 14.713 -11.670 -11.674 1.00 0.00 H new ATOM 0 HE1 MET A 63 10.438 -11.674 -12.384 1.00 0.00 H new ATOM 0 HE2 MET A 63 11.724 -10.532 -12.841 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.195 -11.783 -13.991 1.00 0.00 H new ATOM 608 N GLY A 64 11.467 -9.978 -7.563 1.00 0.00 N ATOM 609 CA GLY A 64 11.159 -9.974 -6.142 1.00 0.00 C ATOM 610 C GLY A 64 12.389 -9.600 -5.318 1.00 0.00 C ATOM 611 O GLY A 64 12.265 -9.095 -4.206 1.00 0.00 O ATOM 0 H GLY A 64 11.540 -9.051 -7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.354 -9.267 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.800 -10.958 -5.841 1.00 0.00 H new ATOM 615 N MET A 65 13.568 -9.846 -5.878 1.00 0.00 N ATOM 616 CA MET A 65 14.811 -9.532 -5.184 1.00 0.00 C ATOM 617 C MET A 65 14.924 -8.029 -4.948 1.00 0.00 C ATOM 618 O MET A 65 14.446 -7.227 -5.747 1.00 0.00 O ATOM 619 CB MET A 65 16.004 -10.009 -6.012 1.00 0.00 C ATOM 620 CG MET A 65 15.899 -11.517 -6.240 1.00 0.00 C ATOM 621 SD MET A 65 16.077 -12.385 -4.661 1.00 0.00 S ATOM 622 CE MET A 65 17.876 -12.238 -4.526 1.00 0.00 C ATOM 0 H MET A 65 13.689 -10.258 -6.803 1.00 0.00 H new ATOM 0 HA MET A 65 14.809 -10.043 -4.221 1.00 0.00 H new ATOM 0 HB2 MET A 65 16.028 -9.487 -6.969 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.935 -9.773 -5.497 1.00 0.00 H new ATOM 0 HG2 MET A 65 14.938 -11.760 -6.694 1.00 0.00 H new ATOM 0 HG3 MET A 65 16.672 -11.844 -6.935 1.00 0.00 H new ATOM 0 HE1 MET A 65 18.216 -12.746 -3.624 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.345 -12.694 -5.398 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.152 -11.185 -4.475 1.00 0.00 H new ATOM 632 N TRP A 66 15.547 -7.659 -3.839 1.00 0.00 N ATOM 633 CA TRP A 66 15.708 -6.247 -3.498 1.00 0.00 C ATOM 634 C TRP A 66 17.133 -5.784 -3.768 1.00 0.00 C ATOM 635 O TRP A 66 18.089 -6.534 -3.562 1.00 0.00 O ATOM 636 CB TRP A 66 15.371 -6.026 -2.020 1.00 0.00 C ATOM 637 CG TRP A 66 13.883 -5.992 -1.834 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.976 -6.321 -2.780 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.123 -5.608 -0.654 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.709 -6.160 -2.263 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.744 -5.727 -0.951 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.489 -5.174 0.633 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.764 -5.424 -0.005 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.505 -4.871 1.587 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.145 -4.995 1.268 1.00 0.00 C ATOM 0 H TRP A 66 15.948 -8.309 -3.162 1.00 0.00 H new ATOM 0 HA TRP A 66 15.028 -5.666 -4.120 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.803 -6.824 -1.416 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.811 -5.091 -1.674 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.207 -6.656 -3.780 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.851 -6.338 -2.784 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.533 -5.073 0.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.718 -5.521 -0.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.797 -4.540 2.573 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.393 -4.759 2.006 1.00 0.00 H new ATOM 656 N THR A 67 17.263 -4.540 -4.233 1.00 0.00 N ATOM 657 CA THR A 67 18.577 -3.979 -4.525 1.00 0.00 C ATOM 658 C THR A 67 18.931 -2.928 -3.477 1.00 0.00 C ATOM 659 O THR A 67 18.114 -2.062 -3.146 1.00 0.00 O ATOM 660 CB THR A 67 18.589 -3.353 -5.918 1.00 0.00 C ATOM 661 OG1 THR A 67 18.256 -4.341 -6.876 1.00 0.00 O ATOM 662 CG2 THR A 67 19.981 -2.796 -6.211 1.00 0.00 C ATOM 0 H THR A 67 16.481 -3.910 -4.413 1.00 0.00 H new ATOM 0 HA THR A 67 19.317 -4.778 -4.497 1.00 0.00 H new ATOM 0 HB THR A 67 17.861 -2.543 -5.966 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.822 -5.130 -6.742 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.992 -2.349 -7.205 1.00 0.00 H new ATOM 0 HG22 THR A 67 20.233 -2.038 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.712 -3.603 -6.168 1.00 0.00 H new ATOM 670 N GLY A 68 20.159 -3.001 -2.964 1.00 0.00 N ATOM 671 CA GLY A 68 20.611 -2.056 -1.948 1.00 0.00 C ATOM 672 C GLY A 68 22.122 -1.844 -2.032 1.00 0.00 C ATOM 673 O GLY A 68 22.796 -2.420 -2.891 1.00 0.00 O ATOM 0 H GLY A 68 20.852 -3.699 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.098 -1.103 -2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.347 -2.427 -0.958 1.00 0.00 H new ATOM 677 N MET A 69 22.643 -1.013 -1.135 1.00 0.00 N ATOM 678 CA MET A 69 24.072 -0.725 -1.113 1.00 0.00 C ATOM 679 C MET A 69 24.689 -1.176 0.207 1.00 0.00 C ATOM 680 O MET A 69 24.063 -1.061 1.267 1.00 0.00 O ATOM 681 CB MET A 69 24.308 0.774 -1.302 1.00 0.00 C ATOM 682 CG MET A 69 25.812 1.062 -1.278 1.00 0.00 C ATOM 683 SD MET A 69 26.092 2.835 -1.500 1.00 0.00 S ATOM 684 CE MET A 69 25.738 2.903 -3.272 1.00 0.00 C ATOM 0 H MET A 69 22.101 -0.530 -0.418 1.00 0.00 H new ATOM 0 HA MET A 69 24.545 -1.272 -1.929 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.879 1.104 -2.248 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.807 1.334 -0.512 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.241 0.731 -0.332 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.313 0.502 -2.068 1.00 0.00 H new ATOM 0 HE1 MET A 69 25.731 3.942 -3.602 1.00 0.00 H new ATOM 0 HE2 MET A 69 26.506 2.354 -3.818 1.00 0.00 H new ATOM 0 HE3 MET A 69 24.764 2.454 -3.466 1.00 0.00 H new ATOM 694 N LEU A 70 25.916 -1.685 0.135 1.00 0.00 N ATOM 695 CA LEU A 70 26.610 -2.144 1.327 1.00 0.00 C ATOM 696 C LEU A 70 28.083 -1.802 1.250 1.00 0.00 C ATOM 697 O LEU A 70 28.778 -2.274 0.358 1.00 0.00 O ATOM 698 CB LEU A 70 26.453 -3.659 1.480 1.00 0.00 C ATOM 699 CG LEU A 70 25.738 -3.964 2.796 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.410 -5.459 2.862 1.00 0.00 C ATOM 701 CD2 LEU A 70 26.645 -3.593 3.972 1.00 0.00 C ATOM 0 H LEU A 70 26.444 -1.788 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 70 26.171 -1.643 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.885 -4.063 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.431 -4.141 1.464 1.00 0.00 H new ATOM 0 HG LEU A 70 24.817 -3.383 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.900 -5.679 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.764 -5.727 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.333 -6.037 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.133 -3.811 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.566 -4.173 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 70 26.882 -2.530 3.927 1.00 0.00 H new ATOM 713 N ASN A 71 28.549 -0.964 2.179 1.00 0.00 N ATOM 714 CA ASN A 71 29.953 -0.555 2.205 1.00 0.00 C ATOM 715 C ASN A 71 30.470 -0.284 0.796 1.00 0.00 C ATOM 716 O ASN A 71 31.430 -0.903 0.345 1.00 0.00 O ATOM 717 CB ASN A 71 30.808 -1.642 2.872 1.00 0.00 C ATOM 718 CG ASN A 71 30.596 -2.983 2.181 1.00 0.00 C ATOM 719 OD1 ASN A 71 29.756 -3.840 2.689 1.00 0.00 O flip ATOM 720 ND2 ASN A 71 31.180 -3.244 1.130 1.00 0.00 N flip ATOM 0 H ASN A 71 27.977 -0.558 2.919 1.00 0.00 H new ATOM 0 HA ASN A 71 30.026 0.367 2.782 1.00 0.00 H new ATOM 0 HB2 ASN A 71 31.861 -1.364 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 71 30.546 -1.724 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 71 31.838 -2.574 0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 71 31.007 -4.131 0.657 1.00 0.00 H new ATOM 727 N ASN A 72 29.816 0.634 0.097 1.00 0.00 N ATOM 728 CA ASN A 72 30.210 0.965 -1.267 1.00 0.00 C ATOM 729 C ASN A 72 30.108 -0.257 -2.175 1.00 0.00 C ATOM 730 O ASN A 72 30.946 -0.450 -3.061 1.00 0.00 O ATOM 731 CB ASN A 72 31.648 1.487 -1.270 1.00 0.00 C ATOM 732 CG ASN A 72 31.930 2.241 -2.566 1.00 0.00 C ATOM 733 OD1 ASN A 72 31.070 2.971 -3.061 1.00 0.00 O ATOM 734 ND2 ASN A 72 33.088 2.103 -3.152 1.00 0.00 N ATOM 0 H ASN A 72 29.016 1.160 0.448 1.00 0.00 H new ATOM 0 HA ASN A 72 29.536 1.733 -1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.806 2.145 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.345 0.656 -1.165 1.00 0.00 H new ATOM 0 HD21 ASN A 72 33.282 2.600 -4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.799 1.498 -2.741 1.00 0.00 H new ATOM 741 N LYS A 73 29.074 -1.063 -1.966 1.00 0.00 N ATOM 742 CA LYS A 73 28.866 -2.248 -2.790 1.00 0.00 C ATOM 743 C LYS A 73 27.376 -2.437 -3.071 1.00 0.00 C ATOM 744 O LYS A 73 26.607 -2.781 -2.180 1.00 0.00 O ATOM 745 CB LYS A 73 29.424 -3.480 -2.080 1.00 0.00 C ATOM 746 CG LYS A 73 29.802 -4.537 -3.116 1.00 0.00 C ATOM 747 CD LYS A 73 30.617 -5.640 -2.441 1.00 0.00 C ATOM 748 CE LYS A 73 31.159 -6.596 -3.504 1.00 0.00 C ATOM 749 NZ LYS A 73 32.037 -7.611 -2.857 1.00 0.00 N ATOM 0 H LYS A 73 28.372 -0.920 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 73 29.389 -2.116 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.297 -3.207 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.683 -3.881 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 73 28.903 -4.958 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 73 30.380 -4.083 -3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 73 31.440 -5.204 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 73 29.994 -6.184 -1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 73 30.335 -7.088 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 73 31.720 -6.041 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 32.406 -8.262 -3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 32.830 -7.133 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 31.488 -8.148 -2.155 1.00 0.00 H new ATOM 763 N VAL A 74 26.978 -2.213 -4.317 1.00 0.00 N ATOM 764 CA VAL A 74 25.579 -2.358 -4.701 1.00 0.00 C ATOM 765 C VAL A 74 25.339 -3.705 -5.367 1.00 0.00 C ATOM 766 O VAL A 74 26.058 -4.092 -6.288 1.00 0.00 O ATOM 767 CB VAL A 74 25.184 -1.235 -5.662 1.00 0.00 C ATOM 768 CG1 VAL A 74 23.714 -1.390 -6.056 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.385 0.119 -4.974 1.00 0.00 C ATOM 0 H VAL A 74 27.600 -1.932 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 74 24.968 -2.300 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 74 25.807 -1.288 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 74 23.434 -0.589 -6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 74 23.568 -2.353 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 74 23.091 -1.338 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.104 0.920 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 74 24.762 0.169 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 74 26.432 0.233 -4.693 1.00 0.00 H new ATOM 779 N GLY A 75 24.322 -4.420 -4.895 1.00 0.00 N ATOM 780 CA GLY A 75 24.001 -5.728 -5.452 1.00 0.00 C ATOM 781 C GLY A 75 22.595 -6.159 -5.043 1.00 0.00 C ATOM 782 O GLY A 75 21.878 -5.423 -4.353 1.00 0.00 O ATOM 0 H GLY A 75 23.712 -4.119 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 75 24.074 -5.694 -6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.727 -6.464 -5.107 1.00 0.00 H new ATOM 786 N ASN A 76 22.202 -7.357 -5.473 1.00 0.00 N ATOM 787 CA ASN A 76 20.878 -7.878 -5.149 1.00 0.00 C ATOM 788 C ASN A 76 20.967 -8.890 -4.004 1.00 0.00 C ATOM 789 O ASN A 76 22.034 -9.433 -3.730 1.00 0.00 O ATOM 790 CB ASN A 76 20.263 -8.546 -6.379 1.00 0.00 C ATOM 791 CG ASN A 76 20.307 -7.595 -7.569 1.00 0.00 C ATOM 792 OD1 ASN A 76 19.736 -6.426 -7.478 1.00 0.00 O flip ATOM 793 ND2 ASN A 76 20.880 -7.923 -8.606 1.00 0.00 N flip ATOM 0 H ASN A 76 22.777 -7.979 -6.041 1.00 0.00 H new ATOM 0 HA ASN A 76 20.246 -7.047 -4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.806 -9.461 -6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.232 -8.832 -6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 76 21.326 -8.838 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 76 20.910 -7.280 -9.398 1.00 0.00 H new ATOM 800 N PHE A 77 19.834 -9.132 -3.352 1.00 0.00 N ATOM 801 CA PHE A 77 19.789 -10.080 -2.243 1.00 0.00 C ATOM 802 C PHE A 77 18.366 -10.570 -2.011 1.00 0.00 C ATOM 803 O PHE A 77 17.398 -9.925 -2.435 1.00 0.00 O ATOM 804 CB PHE A 77 20.329 -9.425 -0.975 1.00 0.00 C ATOM 805 CG PHE A 77 19.708 -8.060 -0.815 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.504 -7.917 -0.117 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.335 -6.939 -1.369 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.931 -6.645 0.029 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.763 -5.671 -1.222 1.00 0.00 C ATOM 810 CZ PHE A 77 18.559 -5.524 -0.524 1.00 0.00 C ATOM 0 H PHE A 77 18.941 -8.689 -3.570 1.00 0.00 H new ATOM 0 HA PHE A 77 20.412 -10.938 -2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.102 -10.044 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.414 -9.339 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.018 -8.783 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 77 21.262 -7.053 -1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.003 -6.531 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.250 -4.806 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.115 -4.546 -0.412 1.00 0.00 H new ATOM 820 N LYS A 78 18.242 -11.717 -1.350 1.00 0.00 N ATOM 821 CA LYS A 78 16.930 -12.288 -1.082 1.00 0.00 C ATOM 822 C LYS A 78 16.146 -11.398 -0.120 1.00 0.00 C ATOM 823 O LYS A 78 16.518 -11.251 1.043 1.00 0.00 O ATOM 824 CB LYS A 78 17.086 -13.686 -0.473 1.00 0.00 C ATOM 825 CG LYS A 78 15.996 -14.608 -1.026 1.00 0.00 C ATOM 826 CD LYS A 78 16.299 -16.053 -0.625 1.00 0.00 C ATOM 827 CE LYS A 78 15.394 -17.003 -1.413 1.00 0.00 C ATOM 828 NZ LYS A 78 15.725 -18.412 -1.061 1.00 0.00 N ATOM 0 H LYS A 78 19.026 -12.263 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 78 16.384 -12.358 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.071 -14.089 -0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.014 -13.631 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.021 -14.309 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.949 -14.523 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.346 -16.284 -0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.139 -16.186 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.348 -16.797 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.526 -16.844 -2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.110 -19.057 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.719 -18.605 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.577 -18.559 -0.042 1.00 0.00 H new ATOM 842 N PHE A 79 15.064 -10.813 -0.617 1.00 0.00 N ATOM 843 CA PHE A 79 14.228 -9.942 0.204 1.00 0.00 C ATOM 844 C PHE A 79 13.690 -10.704 1.409 1.00 0.00 C ATOM 845 O PHE A 79 13.331 -10.112 2.420 1.00 0.00 O ATOM 846 CB PHE A 79 13.068 -9.393 -0.628 1.00 0.00 C ATOM 847 CG PHE A 79 12.242 -10.540 -1.165 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.121 -10.985 -0.461 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.609 -11.162 -2.363 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.359 -12.047 -0.965 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.852 -12.220 -2.867 1.00 0.00 C ATOM 852 CZ PHE A 79 10.727 -12.668 -2.165 1.00 0.00 C ATOM 0 H PHE A 79 14.744 -10.924 -1.579 1.00 0.00 H new ATOM 0 HA PHE A 79 14.836 -9.110 0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.446 -8.739 -0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.451 -8.790 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.842 -10.512 0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.482 -10.822 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.486 -12.387 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.133 -12.692 -3.797 1.00 0.00 H new ATOM 0 HZ PHE A 79 10.143 -13.492 -2.548 1.00 0.00 H new ATOM 862 N ILE A 80 13.631 -12.025 1.292 1.00 0.00 N ATOM 863 CA ILE A 80 13.141 -12.859 2.380 1.00 0.00 C ATOM 864 C ILE A 80 14.124 -12.831 3.550 1.00 0.00 C ATOM 865 O ILE A 80 13.725 -12.828 4.713 1.00 0.00 O ATOM 866 CB ILE A 80 12.951 -14.299 1.898 1.00 0.00 C ATOM 867 CG1 ILE A 80 11.870 -14.332 0.819 1.00 0.00 C ATOM 868 CG2 ILE A 80 12.524 -15.180 3.073 1.00 0.00 C ATOM 869 CD1 ILE A 80 11.793 -15.732 0.213 1.00 0.00 C ATOM 0 H ILE A 80 13.915 -12.539 0.458 1.00 0.00 H new ATOM 0 HA ILE A 80 12.180 -12.466 2.713 1.00 0.00 H new ATOM 0 HB ILE A 80 13.889 -14.672 1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.906 -14.057 1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.095 -13.601 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.389 -16.205 2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 80 13.293 -15.155 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.585 -14.809 3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.021 -15.753 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.755 -15.990 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.548 -16.453 0.993 1.00 0.00 H new ATOM 881 N TYR A 81 15.412 -12.833 3.232 1.00 0.00 N ATOM 882 CA TYR A 81 16.451 -12.820 4.261 1.00 0.00 C ATOM 883 C TYR A 81 16.592 -11.437 4.867 1.00 0.00 C ATOM 884 O TYR A 81 17.351 -11.243 5.821 1.00 0.00 O ATOM 885 CB TYR A 81 17.787 -13.264 3.656 1.00 0.00 C ATOM 886 CG TYR A 81 17.712 -14.726 3.247 1.00 0.00 C ATOM 887 CD1 TYR A 81 16.555 -15.481 3.511 1.00 0.00 C ATOM 888 CD2 TYR A 81 18.794 -15.322 2.598 1.00 0.00 C ATOM 889 CE1 TYR A 81 16.485 -16.813 3.135 1.00 0.00 C ATOM 890 CE2 TYR A 81 18.722 -16.668 2.220 1.00 0.00 C ATOM 891 CZ TYR A 81 17.564 -17.411 2.487 1.00 0.00 C ATOM 892 OH TYR A 81 17.493 -18.736 2.114 1.00 0.00 O ATOM 0 H TYR A 81 15.764 -12.843 2.275 1.00 0.00 H new ATOM 0 HA TYR A 81 16.163 -13.513 5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.026 -12.647 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.589 -13.121 4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 81 15.716 -15.020 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.684 -14.747 2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.595 -17.387 3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.559 -17.134 1.722 1.00 0.00 H new ATOM 0 HH TYR A 81 18.328 -18.997 1.673 1.00 0.00 H new ATOM 902 N VAL A 82 15.863 -10.478 4.309 1.00 0.00 N ATOM 903 CA VAL A 82 15.923 -9.111 4.800 1.00 0.00 C ATOM 904 C VAL A 82 14.522 -8.591 5.117 1.00 0.00 C ATOM 905 O VAL A 82 13.524 -9.172 4.699 1.00 0.00 O ATOM 906 CB VAL A 82 16.573 -8.210 3.747 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.493 -7.623 2.831 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.324 -7.070 4.439 1.00 0.00 C ATOM 0 H VAL A 82 15.229 -10.622 3.523 1.00 0.00 H new ATOM 0 HA VAL A 82 16.519 -9.098 5.713 1.00 0.00 H new ATOM 0 HB VAL A 82 17.271 -8.800 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.959 -6.982 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.959 -8.432 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.792 -7.036 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 82 17.786 -6.430 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.625 -6.483 5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.096 -7.484 5.087 1.00 0.00 H new ATOM 918 N ASP A 83 14.460 -7.483 5.845 1.00 0.00 N ATOM 919 CA ASP A 83 13.176 -6.883 6.195 1.00 0.00 C ATOM 920 C ASP A 83 13.307 -5.368 6.308 1.00 0.00 C ATOM 921 O ASP A 83 14.402 -4.842 6.471 1.00 0.00 O ATOM 922 CB ASP A 83 12.673 -7.458 7.520 1.00 0.00 C ATOM 923 CG ASP A 83 13.635 -7.092 8.646 1.00 0.00 C ATOM 924 OD1 ASP A 83 14.664 -6.505 8.357 1.00 0.00 O ATOM 925 OD2 ASP A 83 13.324 -7.400 9.783 1.00 0.00 O ATOM 0 H ASP A 83 15.275 -6.984 6.202 1.00 0.00 H new ATOM 0 HA ASP A 83 12.460 -7.115 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.678 -7.070 7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.583 -8.542 7.445 1.00 0.00 H new ATOM 930 N VAL A 84 12.182 -4.673 6.225 1.00 0.00 N ATOM 931 CA VAL A 84 12.186 -3.216 6.324 1.00 0.00 C ATOM 932 C VAL A 84 11.912 -2.773 7.762 1.00 0.00 C ATOM 933 O VAL A 84 10.949 -3.218 8.385 1.00 0.00 O ATOM 934 CB VAL A 84 11.121 -2.630 5.395 1.00 0.00 C ATOM 935 CG1 VAL A 84 11.385 -3.088 3.960 1.00 0.00 C ATOM 936 CG2 VAL A 84 9.736 -3.110 5.834 1.00 0.00 C ATOM 0 H VAL A 84 11.260 -5.088 6.090 1.00 0.00 H new ATOM 0 HA VAL A 84 13.170 -2.852 6.027 1.00 0.00 H new ATOM 0 HB VAL A 84 11.161 -1.542 5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.626 -2.670 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.370 -2.745 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.348 -4.176 3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.979 -2.691 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.697 -4.198 5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.544 -2.783 6.856 1.00 0.00 H new ATOM 946 N ILE A 85 12.765 -1.896 8.274 1.00 0.00 N ATOM 947 CA ILE A 85 12.607 -1.399 9.636 1.00 0.00 C ATOM 948 C ILE A 85 12.581 0.124 9.653 1.00 0.00 C ATOM 949 O ILE A 85 13.043 0.772 8.713 1.00 0.00 O ATOM 950 CB ILE A 85 13.755 -1.904 10.512 1.00 0.00 C ATOM 951 CG1 ILE A 85 15.088 -1.422 9.934 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.740 -3.434 10.547 1.00 0.00 C ATOM 953 CD1 ILE A 85 16.207 -1.678 10.942 1.00 0.00 C ATOM 0 H ILE A 85 13.568 -1.516 7.772 1.00 0.00 H new ATOM 0 HA ILE A 85 11.660 -1.769 10.030 1.00 0.00 H new ATOM 0 HB ILE A 85 13.634 -1.517 11.524 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.300 -1.942 9.000 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.031 -0.359 9.701 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.559 -3.792 11.172 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.792 -3.779 10.959 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.859 -3.822 9.535 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.155 -1.334 10.528 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.996 -1.137 11.865 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.269 -2.746 11.153 1.00 0.00 H new ATOM 965 N SER A 86 12.041 0.690 10.727 1.00 0.00 N ATOM 966 CA SER A 86 11.964 2.141 10.853 1.00 0.00 C ATOM 967 C SER A 86 12.997 2.648 11.854 1.00 0.00 C ATOM 968 O SER A 86 13.014 2.227 13.010 1.00 0.00 O ATOM 969 CB SER A 86 10.564 2.549 11.313 1.00 0.00 C ATOM 970 OG SER A 86 10.521 3.959 11.490 1.00 0.00 O ATOM 0 H SER A 86 11.654 0.172 11.516 1.00 0.00 H new ATOM 0 HA SER A 86 12.172 2.584 9.879 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.822 2.240 10.576 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.314 2.046 12.247 1.00 0.00 H new ATOM 0 HG SER A 86 9.625 4.225 11.783 1.00 0.00 H new ATOM 976 N GLU A 87 13.857 3.554 11.400 1.00 0.00 N ATOM 977 CA GLU A 87 14.890 4.112 12.266 1.00 0.00 C ATOM 978 C GLU A 87 14.385 5.375 12.956 1.00 0.00 C ATOM 979 O GLU A 87 13.289 5.803 12.634 1.00 0.00 O ATOM 980 CB GLU A 87 16.140 4.438 11.445 1.00 0.00 C ATOM 981 CG GLU A 87 15.829 5.574 10.469 1.00 0.00 C ATOM 982 CD GLU A 87 17.048 5.863 9.599 1.00 0.00 C ATOM 983 OE1 GLU A 87 18.039 5.169 9.754 1.00 0.00 O ATOM 984 OE2 GLU A 87 16.973 6.776 8.794 1.00 0.00 O ATOM 0 H GLU A 87 13.860 3.915 10.446 1.00 0.00 H new ATOM 0 HA GLU A 87 15.140 3.373 13.027 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.957 4.726 12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.469 3.555 10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.980 5.303 9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.545 6.470 11.020 1.00 0.00 H new TER 991 GLU A 87