USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 485 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 29 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00538) USER MOD Set 1.2: A 31 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 12 ASN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.179 K(o=-0.18,f=-3.4!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -79:sc= 0.943 USER MOD Single : A 43 ASN : amide:sc= -0.67 K(o=-0.67,f=-0.048) USER MOD Single : A 44 SER OG : rot -3:sc= 0.173 USER MOD Single : A 45 ASN : amide:sc=-0.00874 K(o=-0.0087,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 128:sc= 0.331 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -13.093 -6.918 -0.120 1.00 0.00 N ATOM 35 CA LEU A 3 -12.110 -6.326 -1.025 1.00 0.00 C ATOM 36 C LEU A 3 -11.119 -7.406 -1.500 1.00 0.00 C ATOM 37 O LEU A 3 -11.125 -8.529 -0.989 1.00 0.00 O ATOM 38 CB LEU A 3 -11.321 -5.221 -0.289 1.00 0.00 C ATOM 39 CG LEU A 3 -12.112 -4.162 0.507 1.00 0.00 C ATOM 40 CD1 LEU A 3 -13.208 -3.513 -0.342 1.00 0.00 C ATOM 41 CD2 LEU A 3 -12.681 -4.642 1.853 1.00 0.00 C ATOM 0 HA LEU A 3 -12.634 -5.901 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.632 -5.708 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.715 -4.697 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.363 -3.412 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.741 -2.774 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.758 -3.025 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.907 -4.278 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.219 -3.824 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.363 -5.475 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.865 -4.967 2.498 1.00 0.00 H new ATOM 53 N ARG A 4 -10.243 -7.077 -2.464 1.00 0.00 N ATOM 54 CA ARG A 4 -9.234 -7.979 -2.973 1.00 0.00 C ATOM 55 C ARG A 4 -8.142 -8.242 -1.925 1.00 0.00 C ATOM 56 O ARG A 4 -8.008 -7.510 -0.942 1.00 0.00 O ATOM 57 CB ARG A 4 -8.624 -7.396 -4.254 1.00 0.00 C ATOM 58 CG ARG A 4 -9.555 -6.723 -5.276 1.00 0.00 C ATOM 59 CD ARG A 4 -10.631 -7.670 -5.828 1.00 0.00 C ATOM 60 NE ARG A 4 -11.843 -7.689 -4.997 1.00 0.00 N ATOM 61 CZ ARG A 4 -12.819 -6.764 -5.026 1.00 0.00 C ATOM 62 NH1 ARG A 4 -12.714 -5.655 -5.775 1.00 0.00 N ATOM 63 NH2 ARG A 4 -13.924 -6.958 -4.296 1.00 0.00 N ATOM 0 H ARG A 4 -10.228 -6.159 -2.909 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.705 -8.935 -3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.873 -6.663 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.099 -8.202 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.040 -5.866 -4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.959 -6.339 -6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.894 -7.365 -6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.224 -8.679 -5.894 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.953 -8.466 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.879 -5.498 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.469 -4.969 -5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.018 -7.799 -3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.672 -6.265 -4.309 1.00 0.00 H new ATOM 77 N LYS A 5 -7.348 -9.295 -2.160 1.00 0.00 N ATOM 78 CA LYS A 5 -6.258 -9.709 -1.277 1.00 0.00 C ATOM 79 C LYS A 5 -5.131 -8.685 -1.209 1.00 0.00 C ATOM 80 O LYS A 5 -4.528 -8.492 -0.156 1.00 0.00 O ATOM 81 CB LYS A 5 -5.724 -11.090 -1.700 1.00 0.00 C ATOM 82 CG LYS A 5 -6.779 -12.211 -1.697 1.00 0.00 C ATOM 83 CD LYS A 5 -7.457 -12.445 -0.336 1.00 0.00 C ATOM 84 CE LYS A 5 -6.481 -12.733 0.816 1.00 0.00 C ATOM 85 NZ LYS A 5 -5.625 -13.902 0.548 1.00 0.00 N ATOM 0 H LYS A 5 -7.449 -9.890 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.670 -9.779 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.300 -11.010 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.911 -11.372 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.546 -11.973 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.306 -13.139 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.050 -11.566 -0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.150 -13.282 -0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.854 -11.858 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.045 -12.902 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.985 -14.055 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.220 -14.744 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.065 -13.733 -0.312 1.00 0.00 H new ATOM 99 N LEU A 6 -4.891 -8.015 -2.335 1.00 0.00 N ATOM 100 CA LEU A 6 -3.897 -6.968 -2.542 1.00 0.00 C ATOM 101 C LEU A 6 -4.073 -5.805 -1.550 1.00 0.00 C ATOM 102 O LEU A 6 -3.135 -5.054 -1.297 1.00 0.00 O ATOM 103 CB LEU A 6 -4.056 -6.475 -3.999 1.00 0.00 C ATOM 104 CG LEU A 6 -2.829 -5.958 -4.767 1.00 0.00 C ATOM 105 CD1 LEU A 6 -2.144 -4.797 -4.050 1.00 0.00 C ATOM 106 CD2 LEU A 6 -1.844 -7.094 -5.072 1.00 0.00 C ATOM 0 H LEU A 6 -5.424 -8.204 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.897 -7.365 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.479 -7.297 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.797 -5.676 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.190 -5.567 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.283 -4.467 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.847 -3.971 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.812 -5.123 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.987 -6.696 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.505 -7.542 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.339 -7.852 -5.679 1.00 0.00 H new ATOM 118 N CYS A 7 -5.270 -5.674 -0.965 1.00 0.00 N ATOM 119 CA CYS A 7 -5.599 -4.600 -0.023 1.00 0.00 C ATOM 120 C CYS A 7 -5.582 -5.062 1.440 1.00 0.00 C ATOM 121 O CYS A 7 -5.993 -4.298 2.314 1.00 0.00 O ATOM 122 CB CYS A 7 -6.952 -4.004 -0.433 1.00 0.00 C ATOM 123 SG CYS A 7 -6.893 -3.149 -2.034 1.00 0.00 S ATOM 0 H CYS A 7 -6.044 -6.317 -1.135 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.828 -3.831 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.695 -4.800 -0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.282 -3.304 0.335 1.00 0.00 H new ATOM 128 N ILE A 8 -5.090 -6.280 1.719 1.00 0.00 N ATOM 129 CA ILE A 8 -5.001 -6.848 3.062 1.00 0.00 C ATOM 130 C ILE A 8 -3.714 -7.672 3.265 1.00 0.00 C ATOM 131 O ILE A 8 -3.579 -8.272 4.333 1.00 0.00 O ATOM 132 CB ILE A 8 -6.279 -7.654 3.414 1.00 0.00 C ATOM 133 CG1 ILE A 8 -6.546 -8.779 2.397 1.00 0.00 C ATOM 134 CG2 ILE A 8 -7.503 -6.723 3.503 1.00 0.00 C ATOM 135 CD1 ILE A 8 -7.677 -9.719 2.833 1.00 0.00 C ATOM 0 H ILE A 8 -4.737 -6.907 0.996 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.939 -6.016 3.763 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.110 -8.115 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.798 -8.338 1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.633 -9.358 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.388 -7.309 3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.335 -5.974 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.653 -6.227 2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.820 -10.491 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.417 -10.185 3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.599 -9.150 2.949 1.00 0.00 H new ATOM 147 N LEU A 9 -2.759 -7.715 2.307 1.00 0.00 N ATOM 148 CA LEU A 9 -1.506 -8.460 2.520 1.00 0.00 C ATOM 149 C LEU A 9 -0.553 -7.708 3.478 1.00 0.00 C ATOM 150 O LEU A 9 0.522 -8.227 3.774 1.00 0.00 O ATOM 151 CB LEU A 9 -0.767 -8.735 1.190 1.00 0.00 C ATOM 152 CG LEU A 9 -1.510 -9.591 0.145 1.00 0.00 C ATOM 153 CD1 LEU A 9 -0.514 -10.146 -0.888 1.00 0.00 C ATOM 154 CD2 LEU A 9 -2.290 -10.762 0.764 1.00 0.00 C ATOM 0 H LEU A 9 -2.832 -7.253 1.401 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.791 -9.411 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.523 -7.776 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.178 -9.227 1.422 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.234 -8.930 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.049 -10.749 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.015 -9.319 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.228 -10.764 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.790 -11.324 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.601 -11.418 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.034 -10.376 1.461 1.00 0.00 H new ATOM 166 N HIS A 10 -0.942 -6.512 3.960 1.00 0.00 N ATOM 167 CA HIS A 10 -0.206 -5.616 4.848 1.00 0.00 C ATOM 168 C HIS A 10 0.923 -4.964 4.041 1.00 0.00 C ATOM 169 O HIS A 10 1.649 -5.647 3.318 1.00 0.00 O ATOM 170 CB HIS A 10 0.315 -6.327 6.112 1.00 0.00 C ATOM 171 CG HIS A 10 0.895 -5.368 7.128 1.00 0.00 C ATOM 172 ND1 HIS A 10 0.143 -4.901 8.207 1.00 0.00 N ATOM 173 CD2 HIS A 10 2.146 -4.808 7.189 1.00 0.00 C ATOM 174 CE1 HIS A 10 0.966 -4.084 8.871 1.00 0.00 C ATOM 175 NE2 HIS A 10 2.176 -3.990 8.298 1.00 0.00 N ATOM 0 H HIS A 10 -1.853 -6.124 3.714 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.882 -4.846 5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.501 -6.886 6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.077 -7.052 5.827 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.957 -4.977 6.496 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.688 -3.556 9.771 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.962 -3.425 8.620 1.00 0.00 H new ATOM 183 N ARG A 11 1.070 -3.637 4.160 1.00 0.00 N ATOM 184 CA ARG A 11 2.067 -2.869 3.456 1.00 0.00 C ATOM 185 C ARG A 11 3.472 -3.182 3.990 1.00 0.00 C ATOM 186 O ARG A 11 3.946 -2.597 4.960 1.00 0.00 O ATOM 187 CB ARG A 11 1.647 -1.390 3.506 1.00 0.00 C ATOM 188 CG ARG A 11 2.014 -0.516 4.717 1.00 0.00 C ATOM 189 CD ARG A 11 1.416 -1.039 6.030 1.00 0.00 C ATOM 190 NE ARG A 11 1.562 -0.048 7.105 1.00 0.00 N ATOM 191 CZ ARG A 11 0.874 -0.031 8.262 1.00 0.00 C ATOM 192 NH1 ARG A 11 -0.039 -0.973 8.547 1.00 0.00 N ATOM 193 NH2 ARG A 11 1.100 0.951 9.144 1.00 0.00 N ATOM 0 H ARG A 11 0.478 -3.069 4.766 1.00 0.00 H new ATOM 0 HA ARG A 11 2.127 -3.142 2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.064 -0.907 2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.562 -1.360 3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.099 -0.469 4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.665 0.502 4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.361 -1.272 5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.912 -1.967 6.316 1.00 0.00 H new ATOM 0 HE ARG A 11 2.247 0.694 6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.224 -1.722 7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.548 -0.939 9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.787 1.675 8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.585 0.975 10.024 1.00 0.00 H new ATOM 207 N ASN A 12 4.117 -4.171 3.362 1.00 0.00 N ATOM 208 CA ASN A 12 5.466 -4.613 3.668 1.00 0.00 C ATOM 209 C ASN A 12 6.328 -3.922 2.608 1.00 0.00 C ATOM 210 O ASN A 12 6.235 -4.305 1.444 1.00 0.00 O ATOM 211 CB ASN A 12 5.573 -6.146 3.570 1.00 0.00 C ATOM 212 CG ASN A 12 5.025 -6.851 4.814 1.00 0.00 C ATOM 213 OD1 ASN A 12 5.782 -7.209 5.714 1.00 0.00 O ATOM 214 ND2 ASN A 12 3.707 -7.056 4.871 1.00 0.00 N ATOM 0 H ASN A 12 3.691 -4.700 2.600 1.00 0.00 H new ATOM 0 HA ASN A 12 5.777 -4.361 4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.028 -6.490 2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.617 -6.426 3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.298 -7.523 5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.109 -6.745 4.105 1.00 0.00 H new ATOM 221 N PRO A 13 7.118 -2.886 2.951 1.00 0.00 N ATOM 222 CA PRO A 13 7.957 -2.173 1.996 1.00 0.00 C ATOM 223 C PRO A 13 9.141 -3.020 1.525 1.00 0.00 C ATOM 224 O PRO A 13 9.420 -3.095 0.329 1.00 0.00 O ATOM 225 CB PRO A 13 8.372 -0.878 2.705 1.00 0.00 C ATOM 226 CG PRO A 13 8.341 -1.246 4.184 1.00 0.00 C ATOM 227 CD PRO A 13 7.153 -2.204 4.234 1.00 0.00 C ATOM 0 HA PRO A 13 7.423 -1.947 1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.365 -0.553 2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.685 -0.062 2.482 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.266 -1.723 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.192 -0.374 4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.265 -2.918 5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.224 -1.661 4.410 1.00 0.00 H new ATOM 235 N GLY A 14 9.798 -3.657 2.495 1.00 0.00 N ATOM 236 CA GLY A 14 10.957 -4.536 2.370 1.00 0.00 C ATOM 237 C GLY A 14 12.204 -3.981 3.074 1.00 0.00 C ATOM 238 O GLY A 14 12.213 -2.855 3.570 1.00 0.00 O ATOM 0 H GLY A 14 9.507 -3.562 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.713 -5.512 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.179 -4.688 1.314 1.00 0.00 H new ATOM 242 N ARG A 15 13.239 -4.822 3.198 1.00 0.00 N ATOM 243 CA ARG A 15 14.528 -4.481 3.801 1.00 0.00 C ATOM 244 C ARG A 15 15.483 -3.979 2.704 1.00 0.00 C ATOM 245 O ARG A 15 16.303 -4.771 2.235 1.00 0.00 O ATOM 246 CB ARG A 15 15.082 -5.707 4.555 1.00 0.00 C ATOM 247 CG ARG A 15 14.173 -6.116 5.726 1.00 0.00 C ATOM 248 CD ARG A 15 14.774 -7.296 6.504 1.00 0.00 C ATOM 249 NE ARG A 15 13.890 -7.736 7.595 1.00 0.00 N ATOM 250 CZ ARG A 15 13.739 -7.132 8.789 1.00 0.00 C ATOM 251 NH1 ARG A 15 14.425 -6.022 9.106 1.00 0.00 N ATOM 252 NH2 ARG A 15 12.883 -7.651 9.682 1.00 0.00 N ATOM 0 H ARG A 15 13.198 -5.787 2.871 1.00 0.00 H new ATOM 0 HA ARG A 15 14.415 -3.678 4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.183 -6.544 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.080 -5.482 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.033 -5.268 6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.188 -6.389 5.348 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.953 -8.128 5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.742 -7.006 6.914 1.00 0.00 H new ATOM 0 HE ARG A 15 13.339 -8.579 7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.078 -5.617 8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.293 -5.583 10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.356 -8.494 9.453 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.759 -7.203 10.590 1.00 0.00 H new ATOM 266 N CYS A 16 15.407 -2.700 2.278 1.00 0.00 N ATOM 267 CA CYS A 16 16.300 -2.198 1.219 1.00 0.00 C ATOM 268 C CYS A 16 16.502 -0.661 1.193 1.00 0.00 C ATOM 269 O CYS A 16 17.288 -0.187 0.374 1.00 0.00 O ATOM 270 CB CYS A 16 15.815 -2.758 -0.133 1.00 0.00 C ATOM 271 SG CYS A 16 17.015 -2.782 -1.508 1.00 0.00 S ATOM 0 H CYS A 16 14.750 -2.011 2.644 1.00 0.00 H new ATOM 0 HA CYS A 16 17.303 -2.563 1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.468 -3.778 0.030 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.951 -2.174 -0.450 1.00 0.00 H new ATOM 276 N TYR A 17 15.820 0.110 2.059 1.00 0.00 N ATOM 277 CA TYR A 17 15.909 1.558 2.266 1.00 0.00 C ATOM 278 C TYR A 17 15.379 2.425 1.104 1.00 0.00 C ATOM 279 O TYR A 17 15.992 2.491 0.040 1.00 0.00 O ATOM 280 CB TYR A 17 17.363 1.958 2.614 1.00 0.00 C ATOM 281 CG TYR A 17 17.744 1.687 4.062 1.00 0.00 C ATOM 282 CD1 TYR A 17 17.519 2.664 5.060 1.00 0.00 C ATOM 283 CD2 TYR A 17 18.308 0.441 4.418 1.00 0.00 C ATOM 284 CE1 TYR A 17 17.859 2.396 6.403 1.00 0.00 C ATOM 285 CE2 TYR A 17 18.646 0.173 5.761 1.00 0.00 C ATOM 286 CZ TYR A 17 18.423 1.151 6.755 1.00 0.00 C ATOM 287 OH TYR A 17 18.754 0.888 8.054 1.00 0.00 O ATOM 0 H TYR A 17 15.132 -0.307 2.686 1.00 0.00 H new ATOM 0 HA TYR A 17 15.241 1.768 3.101 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.046 1.415 1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.498 3.019 2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.086 3.617 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 17 18.481 -0.308 3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.687 3.144 7.162 1.00 0.00 H new ATOM 0 HE2 TYR A 17 19.076 -0.781 6.029 1.00 0.00 H new ATOM 0 HH TYR A 17 19.129 -0.015 8.120 1.00 0.00 H new ATOM 297 N GLN A 18 14.253 3.104 1.390 1.00 0.00 N ATOM 298 CA GLN A 18 13.431 4.077 0.636 1.00 0.00 C ATOM 299 C GLN A 18 13.733 4.234 -0.869 1.00 0.00 C ATOM 300 O GLN A 18 14.848 4.616 -1.228 1.00 0.00 O ATOM 301 CB GLN A 18 13.575 5.446 1.337 1.00 0.00 C ATOM 302 CG GLN A 18 12.782 6.595 0.677 1.00 0.00 C ATOM 303 CD GLN A 18 13.501 7.257 -0.505 1.00 0.00 C ATOM 304 OE1 GLN A 18 14.652 7.672 -0.383 1.00 0.00 O ATOM 305 NE2 GLN A 18 12.829 7.362 -1.656 1.00 0.00 N ATOM 0 H GLN A 18 13.830 2.958 2.306 1.00 0.00 H new ATOM 0 HA GLN A 18 12.416 3.680 0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.249 5.345 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.630 5.718 1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.822 6.209 0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.569 7.354 1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.875 7.007 -1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.270 7.797 -2.466 1.00 0.00 H new ATOM 314 N LYS A 19 12.731 4.003 -1.747 1.00 0.00 N ATOM 315 CA LYS A 19 12.889 4.118 -3.194 1.00 0.00 C ATOM 316 C LYS A 19 11.601 4.291 -4.019 1.00 0.00 C ATOM 317 O LYS A 19 11.702 4.750 -5.158 1.00 0.00 O ATOM 318 CB LYS A 19 13.673 2.890 -3.667 1.00 0.00 C ATOM 319 CG LYS A 19 14.162 2.926 -5.116 1.00 0.00 C ATOM 320 CD LYS A 19 15.070 4.137 -5.368 1.00 0.00 C ATOM 321 CE LYS A 19 15.851 3.976 -6.678 1.00 0.00 C ATOM 322 NZ LYS A 19 16.723 5.136 -6.936 1.00 0.00 N ATOM 0 H LYS A 19 11.791 3.731 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 19 13.417 5.055 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.537 2.762 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.044 2.010 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.705 2.008 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.306 2.964 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.468 5.045 -5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.766 4.253 -4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.454 3.069 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.153 3.854 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.236 4.993 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.144 5.997 -7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.405 5.237 -6.158 1.00 0.00 H new ATOM 336 N ILE A 20 10.412 3.938 -3.507 1.00 0.00 N ATOM 337 CA ILE A 20 9.156 4.109 -4.270 1.00 0.00 C ATOM 338 C ILE A 20 8.070 4.567 -3.287 1.00 0.00 C ATOM 339 O ILE A 20 7.134 3.811 -3.019 1.00 0.00 O ATOM 340 CB ILE A 20 8.700 2.831 -5.057 1.00 0.00 C ATOM 341 CG1 ILE A 20 9.754 2.135 -5.950 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.498 3.187 -5.957 1.00 0.00 C ATOM 343 CD1 ILE A 20 9.202 0.896 -6.669 1.00 0.00 C ATOM 0 H ILE A 20 10.289 3.536 -2.578 1.00 0.00 H new ATOM 0 HA ILE A 20 9.333 4.856 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 20 8.468 2.117 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.122 2.845 -6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.607 1.844 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.179 2.301 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.675 3.547 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.790 3.965 -6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.987 0.450 -7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.860 0.170 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.367 1.187 -7.306 1.00 0.00 H new ATOM 355 N PRO A 21 8.133 5.795 -2.737 1.00 0.00 N ATOM 356 CA PRO A 21 7.104 6.229 -1.821 1.00 0.00 C ATOM 357 C PRO A 21 5.778 6.390 -2.562 1.00 0.00 C ATOM 358 O PRO A 21 5.710 6.966 -3.649 1.00 0.00 O ATOM 359 CB PRO A 21 7.559 7.509 -1.156 1.00 0.00 C ATOM 360 CG PRO A 21 8.948 7.799 -1.745 1.00 0.00 C ATOM 361 CD PRO A 21 9.105 6.853 -2.944 1.00 0.00 C ATOM 0 HA PRO A 21 6.938 5.484 -1.043 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.867 8.326 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.607 7.394 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.030 8.840 -2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.730 7.625 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.921 7.376 -3.882 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.117 6.451 -2.996 1.00 0.00 H new ATOM 369 N ALA A 22 4.740 5.851 -1.929 1.00 0.00 N ATOM 370 CA ALA A 22 3.372 5.863 -2.453 1.00 0.00 C ATOM 371 C ALA A 22 2.356 5.785 -1.301 1.00 0.00 C ATOM 372 O ALA A 22 2.529 6.504 -0.316 1.00 0.00 O ATOM 373 CB ALA A 22 3.247 4.740 -3.500 1.00 0.00 C ATOM 0 H ALA A 22 4.824 5.386 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 22 3.144 6.800 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.235 4.730 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.958 4.914 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.459 3.780 -3.030 1.00 0.00 H new ATOM 379 N PHE A 23 1.294 4.965 -1.417 1.00 0.00 N ATOM 380 CA PHE A 23 0.255 4.794 -0.395 1.00 0.00 C ATOM 381 C PHE A 23 -0.158 3.309 -0.242 1.00 0.00 C ATOM 382 O PHE A 23 0.136 2.465 -1.087 1.00 0.00 O ATOM 383 CB PHE A 23 -1.017 5.574 -0.781 1.00 0.00 C ATOM 384 CG PHE A 23 -0.890 7.070 -1.019 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.286 7.561 -2.194 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.402 7.980 -0.069 1.00 0.00 C ATOM 387 CE1 PHE A 23 -0.062 8.946 -2.349 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.179 9.364 -0.218 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.498 9.847 -1.355 1.00 0.00 C ATOM 0 H PHE A 23 1.135 4.391 -2.245 1.00 0.00 H new ATOM 0 HA PHE A 23 0.678 5.164 0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.423 5.125 -1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.754 5.422 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.006 6.877 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.967 7.614 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.443 9.316 -3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.529 10.053 0.537 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.311 10.905 -1.464 1.00 0.00 H new ATOM 399 N TYR A 24 -0.887 3.031 0.848 1.00 0.00 N ATOM 400 CA TYR A 24 -1.464 1.754 1.274 1.00 0.00 C ATOM 401 C TYR A 24 -2.818 2.003 1.956 1.00 0.00 C ATOM 402 O TYR A 24 -2.993 3.040 2.589 1.00 0.00 O ATOM 403 CB TYR A 24 -0.516 1.010 2.237 1.00 0.00 C ATOM 404 CG TYR A 24 -0.786 1.236 3.727 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.421 2.452 4.347 1.00 0.00 C ATOM 406 CD2 TYR A 24 -1.471 0.254 4.481 1.00 0.00 C ATOM 407 CE1 TYR A 24 -0.704 2.669 5.711 1.00 0.00 C ATOM 408 CE2 TYR A 24 -1.788 0.487 5.836 1.00 0.00 C ATOM 409 CZ TYR A 24 -1.408 1.697 6.452 1.00 0.00 C ATOM 410 OH TYR A 24 -1.725 1.924 7.760 1.00 0.00 O ATOM 0 H TYR A 24 -1.107 3.769 1.517 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.608 1.129 0.393 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.581 -0.058 2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.508 1.315 2.020 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.077 3.219 3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.753 -0.679 4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.381 3.582 6.190 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.322 -0.262 6.402 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.211 1.152 8.118 1.00 0.00 H new ATOM 420 N TYR A 25 -3.732 1.021 1.931 1.00 0.00 N ATOM 421 CA TYR A 25 -5.058 1.163 2.537 1.00 0.00 C ATOM 422 C TYR A 25 -4.968 0.969 4.055 1.00 0.00 C ATOM 423 O TYR A 25 -4.701 -0.142 4.513 1.00 0.00 O ATOM 424 CB TYR A 25 -6.026 0.145 1.910 1.00 0.00 C ATOM 425 CG TYR A 25 -7.437 0.127 2.494 1.00 0.00 C ATOM 426 CD1 TYR A 25 -8.139 1.338 2.696 1.00 0.00 C ATOM 427 CD2 TYR A 25 -8.073 -1.102 2.798 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.446 1.321 3.221 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.406 -1.117 3.263 1.00 0.00 C ATOM 430 CZ TYR A 25 -10.078 0.096 3.518 1.00 0.00 C ATOM 431 OH TYR A 25 -11.342 0.081 4.035 1.00 0.00 O ATOM 0 H TYR A 25 -3.572 0.114 1.493 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.437 2.167 2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.097 0.349 0.842 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.596 -0.851 2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.671 2.279 2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.536 -2.031 2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.967 2.251 3.397 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.911 -2.058 3.423 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.626 -0.846 4.179 1.00 0.00 H new ATOM 441 N ASN A 26 -5.200 2.046 4.831 1.00 0.00 N ATOM 442 CA ASN A 26 -5.154 2.008 6.282 1.00 0.00 C ATOM 443 C ASN A 26 -6.532 1.535 6.764 1.00 0.00 C ATOM 444 O ASN A 26 -7.519 2.253 6.615 1.00 0.00 O ATOM 445 CB ASN A 26 -4.758 3.405 6.777 1.00 0.00 C ATOM 446 CG ASN A 26 -4.566 3.492 8.293 1.00 0.00 C ATOM 447 OD1 ASN A 26 -5.028 2.639 9.048 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.857 4.528 8.744 1.00 0.00 N ATOM 0 H ASN A 26 -5.425 2.966 4.453 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.414 1.315 6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.833 3.706 6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.525 4.118 6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.683 4.631 9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.488 5.218 8.089 1.00 0.00 H new ATOM 455 N GLN A 27 -6.589 0.322 7.337 1.00 0.00 N ATOM 456 CA GLN A 27 -7.801 -0.330 7.837 1.00 0.00 C ATOM 457 C GLN A 27 -8.200 0.167 9.241 1.00 0.00 C ATOM 458 O GLN A 27 -8.569 -0.626 10.108 1.00 0.00 O ATOM 459 CB GLN A 27 -7.583 -1.857 7.803 1.00 0.00 C ATOM 460 CG GLN A 27 -7.201 -2.353 6.397 1.00 0.00 C ATOM 461 CD GLN A 27 -7.149 -3.881 6.316 1.00 0.00 C ATOM 462 OE1 GLN A 27 -6.074 -4.465 6.197 1.00 0.00 O ATOM 463 NE2 GLN A 27 -8.313 -4.534 6.375 1.00 0.00 N ATOM 0 H GLN A 27 -5.756 -0.251 7.468 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.639 -0.068 7.191 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.797 -2.127 8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.493 -2.361 8.131 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.923 -1.977 5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.230 -1.943 6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.185 -4.014 6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.330 -5.552 6.321 1.00 0.00 H new ATOM 472 N LYS A 28 -8.135 1.489 9.451 1.00 0.00 N ATOM 473 CA LYS A 28 -8.482 2.209 10.682 1.00 0.00 C ATOM 474 C LYS A 28 -9.113 3.551 10.296 1.00 0.00 C ATOM 475 O LYS A 28 -10.140 3.970 10.828 1.00 0.00 O ATOM 476 CB LYS A 28 -7.251 2.419 11.586 1.00 0.00 C ATOM 477 CG LYS A 28 -6.568 1.106 12.006 1.00 0.00 C ATOM 478 CD LYS A 28 -5.341 1.331 12.905 1.00 0.00 C ATOM 479 CE LYS A 28 -5.701 1.912 14.281 1.00 0.00 C ATOM 480 NZ LYS A 28 -4.521 1.994 15.159 1.00 0.00 N ATOM 0 H LYS A 28 -7.818 2.124 8.718 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.192 1.615 11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.528 3.044 11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.555 2.963 12.480 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.288 0.480 12.533 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.263 0.559 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.820 0.384 13.042 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.648 2.006 12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.132 2.905 14.156 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.463 1.290 14.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.800 2.390 16.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.125 1.043 15.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.804 2.607 14.721 1.00 0.00 H new ATOM 494 N LYS A 29 -8.442 4.195 9.345 1.00 0.00 N ATOM 495 CA LYS A 29 -8.718 5.461 8.681 1.00 0.00 C ATOM 496 C LYS A 29 -9.762 5.320 7.626 1.00 0.00 C ATOM 497 O LYS A 29 -10.628 6.179 7.439 1.00 0.00 O ATOM 498 CB LYS A 29 -7.407 5.863 8.031 1.00 0.00 C ATOM 499 CG LYS A 29 -7.462 7.139 7.210 1.00 0.00 C ATOM 500 CD LYS A 29 -6.015 7.609 7.038 1.00 0.00 C ATOM 501 CE LYS A 29 -5.856 8.595 5.890 1.00 0.00 C ATOM 502 NZ LYS A 29 -6.623 9.835 6.101 1.00 0.00 N ATOM 0 H LYS A 29 -7.583 3.787 8.977 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.089 6.196 9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.654 5.982 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.073 5.049 7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.928 6.957 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.059 7.899 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.675 8.075 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.374 6.745 6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.801 8.840 5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.182 8.124 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.468 10.480 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.636 9.609 6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.308 10.293 6.980 1.00 0.00 H new ATOM 516 N LYS A 30 -9.589 4.224 6.909 1.00 0.00 N ATOM 517 CA LYS A 30 -10.476 3.803 5.877 1.00 0.00 C ATOM 518 C LYS A 30 -10.384 4.765 4.684 1.00 0.00 C ATOM 519 O LYS A 30 -11.342 5.433 4.300 1.00 0.00 O ATOM 520 CB LYS A 30 -11.830 3.622 6.596 1.00 0.00 C ATOM 521 CG LYS A 30 -11.920 2.190 7.148 1.00 0.00 C ATOM 522 CD LYS A 30 -13.361 1.668 7.156 1.00 0.00 C ATOM 523 CE LYS A 30 -13.414 0.231 7.691 1.00 0.00 C ATOM 524 NZ LYS A 30 -14.791 -0.292 7.707 1.00 0.00 N ATOM 0 H LYS A 30 -8.799 3.594 7.045 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.247 2.855 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.924 4.344 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.651 3.810 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.298 1.529 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.520 2.166 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.984 2.315 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.771 1.701 6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.788 -0.411 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.002 0.202 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.789 -1.265 8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.383 0.307 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.175 -0.288 6.741 1.00 0.00 H new ATOM 538 N GLN A 31 -9.165 4.778 4.124 1.00 0.00 N ATOM 539 CA GLN A 31 -8.637 5.531 2.993 1.00 0.00 C ATOM 540 C GLN A 31 -7.152 5.133 2.860 1.00 0.00 C ATOM 541 O GLN A 31 -6.564 4.532 3.773 1.00 0.00 O ATOM 542 CB GLN A 31 -8.831 7.051 3.206 1.00 0.00 C ATOM 543 CG GLN A 31 -8.347 7.911 2.026 1.00 0.00 C ATOM 544 CD GLN A 31 -8.721 9.385 2.197 1.00 0.00 C ATOM 545 OE1 GLN A 31 -9.619 9.888 1.525 1.00 0.00 O ATOM 546 NE2 GLN A 31 -8.025 10.089 3.095 1.00 0.00 N ATOM 0 H GLN A 31 -8.436 4.178 4.511 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.167 5.299 2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.888 7.252 3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.297 7.353 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.265 7.821 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.780 7.532 1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.286 9.638 3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.233 11.077 3.240 1.00 0.00 H new ATOM 555 N CYS A 32 -6.534 5.437 1.709 1.00 0.00 N ATOM 556 CA CYS A 32 -5.144 5.112 1.469 1.00 0.00 C ATOM 557 C CYS A 32 -4.255 6.156 2.127 1.00 0.00 C ATOM 558 O CYS A 32 -4.286 7.325 1.741 1.00 0.00 O ATOM 559 CB CYS A 32 -4.851 5.044 -0.030 1.00 0.00 C ATOM 560 SG CYS A 32 -3.719 3.766 -0.626 1.00 0.00 S ATOM 0 H CYS A 32 -6.991 5.912 0.931 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.936 4.133 1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.801 4.915 -0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.451 6.011 -0.335 1.00 0.00 H new ATOM 565 N GLU A 33 -3.503 5.737 3.147 1.00 0.00 N ATOM 566 CA GLU A 33 -2.542 6.564 3.831 1.00 0.00 C ATOM 567 C GLU A 33 -1.248 6.308 3.109 1.00 0.00 C ATOM 568 O GLU A 33 -1.034 5.279 2.479 1.00 0.00 O ATOM 569 CB GLU A 33 -2.427 6.176 5.291 1.00 0.00 C ATOM 570 CG GLU A 33 -1.787 7.171 6.245 1.00 0.00 C ATOM 571 CD GLU A 33 -0.266 7.080 6.356 1.00 0.00 C ATOM 572 OE1 GLU A 33 0.210 6.032 6.845 1.00 0.00 O ATOM 573 OE2 GLU A 33 0.397 8.070 5.975 1.00 0.00 O ATOM 0 H GLU A 33 -3.557 4.789 3.519 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.825 7.616 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.430 5.958 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.859 5.247 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.052 8.179 5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.217 7.028 7.236 1.00 0.00 H new ATOM 580 N GLY A 34 -0.356 7.255 3.257 1.00 0.00 N ATOM 581 CA GLY A 34 0.926 7.144 2.565 1.00 0.00 C ATOM 582 C GLY A 34 1.878 6.139 3.212 1.00 0.00 C ATOM 583 O GLY A 34 1.832 5.958 4.428 1.00 0.00 O ATOM 0 H GLY A 34 -0.476 8.091 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.748 6.851 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.404 8.123 2.541 1.00 0.00 H new ATOM 587 N PHE A 35 2.733 5.471 2.415 1.00 0.00 N ATOM 588 CA PHE A 35 3.680 4.512 2.983 1.00 0.00 C ATOM 589 C PHE A 35 4.944 4.614 2.103 1.00 0.00 C ATOM 590 O PHE A 35 4.838 4.883 0.902 1.00 0.00 O ATOM 591 CB PHE A 35 3.126 3.065 2.963 1.00 0.00 C ATOM 592 CG PHE A 35 3.266 2.192 1.727 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.892 2.634 0.448 1.00 0.00 C ATOM 594 CD2 PHE A 35 3.864 0.918 1.873 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.099 1.809 -0.677 1.00 0.00 C ATOM 596 CE2 PHE A 35 4.060 0.084 0.755 1.00 0.00 C ATOM 597 CZ PHE A 35 3.680 0.532 -0.526 1.00 0.00 C ATOM 0 H PHE A 35 2.783 5.578 1.402 1.00 0.00 H new ATOM 0 HA PHE A 35 3.881 4.740 4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.599 2.530 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.062 3.127 3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.444 3.609 0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.173 0.582 2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.812 2.156 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.500 -0.895 0.879 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.833 -0.100 -1.389 1.00 0.00 H new ATOM 607 N THR A 36 6.141 4.395 2.669 1.00 0.00 N ATOM 608 CA THR A 36 7.387 4.476 1.903 1.00 0.00 C ATOM 609 C THR A 36 7.883 3.075 1.546 1.00 0.00 C ATOM 610 O THR A 36 8.199 2.296 2.444 1.00 0.00 O ATOM 611 CB THR A 36 8.479 5.253 2.659 1.00 0.00 C ATOM 612 OG1 THR A 36 8.030 6.561 2.959 1.00 0.00 O ATOM 613 CG2 THR A 36 9.735 5.347 1.771 1.00 0.00 C ATOM 0 H THR A 36 6.269 4.161 3.654 1.00 0.00 H new ATOM 0 HA THR A 36 7.171 5.024 0.986 1.00 0.00 H new ATOM 0 HB THR A 36 8.709 4.731 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.732 7.045 3.441 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.514 5.896 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.092 4.344 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.488 5.867 0.846 1.00 0.00 H new ATOM 621 N TRP A 37 7.981 2.774 0.240 1.00 0.00 N ATOM 622 CA TRP A 37 8.482 1.482 -0.243 1.00 0.00 C ATOM 623 C TRP A 37 10.015 1.479 -0.118 1.00 0.00 C ATOM 624 O TRP A 37 10.645 2.503 -0.372 1.00 0.00 O ATOM 625 CB TRP A 37 8.040 1.317 -1.684 1.00 0.00 C ATOM 626 CG TRP A 37 8.298 0.030 -2.394 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.413 -0.980 -2.537 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.471 -0.350 -3.169 1.00 0.00 C ATOM 629 NE1 TRP A 37 7.865 -1.843 -3.511 1.00 0.00 N ATOM 630 CE2 TRP A 37 9.097 -1.447 -4.000 1.00 0.00 C ATOM 631 CE3 TRP A 37 10.742 0.231 -3.396 1.00 0.00 C ATOM 632 CZ2 TRP A 37 9.896 -1.844 -5.089 1.00 0.00 C ATOM 633 CZ3 TRP A 37 11.589 -0.252 -4.421 1.00 0.00 C ATOM 634 CH2 TRP A 37 11.181 -1.309 -5.247 1.00 0.00 C ATOM 0 H TRP A 37 7.716 3.418 -0.505 1.00 0.00 H new ATOM 0 HA TRP A 37 8.089 0.650 0.341 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.966 1.498 -1.718 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.515 2.109 -2.263 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.497 -1.093 -1.977 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.357 -2.668 -3.830 1.00 0.00 H new ATOM 0 HE3 TRP A 37 11.069 1.054 -2.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.518 -2.561 -5.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.560 0.198 -4.569 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.850 -1.706 -5.996 1.00 0.00 H new ATOM 645 N SER A 38 10.623 0.333 0.220 1.00 0.00 N ATOM 646 CA SER A 38 12.044 0.181 0.461 1.00 0.00 C ATOM 647 C SER A 38 12.985 0.317 -0.747 1.00 0.00 C ATOM 648 O SER A 38 13.512 1.397 -0.973 1.00 0.00 O ATOM 649 CB SER A 38 12.220 -1.147 1.197 1.00 0.00 C ATOM 650 OG SER A 38 12.041 -2.289 0.385 1.00 0.00 O ATOM 0 H SER A 38 10.109 -0.540 0.334 1.00 0.00 H new ATOM 0 HA SER A 38 12.364 1.036 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.219 -1.178 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.510 -1.188 2.023 1.00 0.00 H new ATOM 0 HG SER A 38 11.083 -2.454 0.260 1.00 0.00 H new ATOM 656 N GLY A 39 13.236 -0.747 -1.517 1.00 0.00 N ATOM 657 CA GLY A 39 14.177 -0.706 -2.631 1.00 0.00 C ATOM 658 C GLY A 39 14.253 -2.008 -3.427 1.00 0.00 C ATOM 659 O GLY A 39 14.427 -1.968 -4.645 1.00 0.00 O ATOM 0 H GLY A 39 12.792 -1.656 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.893 0.103 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.169 -0.468 -2.247 1.00 0.00 H new ATOM 663 N CYS A 40 14.130 -3.155 -2.742 1.00 0.00 N ATOM 664 CA CYS A 40 14.233 -4.480 -3.326 1.00 0.00 C ATOM 665 C CYS A 40 13.632 -5.523 -2.368 1.00 0.00 C ATOM 666 O CYS A 40 14.344 -6.370 -1.828 1.00 0.00 O ATOM 667 CB CYS A 40 15.726 -4.746 -3.634 1.00 0.00 C ATOM 668 SG CYS A 40 16.938 -4.699 -2.258 1.00 0.00 S ATOM 0 H CYS A 40 13.951 -3.175 -1.738 1.00 0.00 H new ATOM 0 HA CYS A 40 13.667 -4.551 -4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 40 15.796 -5.728 -4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 40 16.044 -4.016 -4.378 1.00 0.00 H new ATOM 673 N GLY A 41 12.308 -5.466 -2.165 1.00 0.00 N ATOM 674 CA GLY A 41 11.579 -6.377 -1.290 1.00 0.00 C ATOM 675 C GLY A 41 10.120 -5.948 -1.112 1.00 0.00 C ATOM 676 O GLY A 41 9.612 -5.108 -1.859 1.00 0.00 O ATOM 0 H GLY A 41 11.710 -4.772 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.614 -7.385 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.068 -6.415 -0.317 1.00 0.00 H new ATOM 680 N GLY A 42 9.445 -6.546 -0.118 1.00 0.00 N ATOM 681 CA GLY A 42 8.060 -6.258 0.231 1.00 0.00 C ATOM 682 C GLY A 42 7.017 -7.170 -0.425 1.00 0.00 C ATOM 683 O GLY A 42 7.348 -8.028 -1.245 1.00 0.00 O ATOM 0 H GLY A 42 9.865 -7.261 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.953 -6.330 1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.840 -5.226 -0.043 1.00 0.00 H new ATOM 687 N ASN A 43 5.744 -6.962 -0.046 1.00 0.00 N ATOM 688 CA ASN A 43 4.580 -7.696 -0.545 1.00 0.00 C ATOM 689 C ASN A 43 4.003 -6.902 -1.724 1.00 0.00 C ATOM 690 O ASN A 43 4.639 -6.824 -2.776 1.00 0.00 O ATOM 691 CB ASN A 43 3.552 -7.941 0.589 1.00 0.00 C ATOM 692 CG ASN A 43 4.012 -8.847 1.742 1.00 0.00 C ATOM 693 OD1 ASN A 43 3.249 -9.065 2.680 1.00 0.00 O ATOM 694 ND2 ASN A 43 5.233 -9.389 1.697 1.00 0.00 N ATOM 0 H ASN A 43 5.494 -6.251 0.641 1.00 0.00 H new ATOM 0 HA ASN A 43 4.862 -8.689 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.266 -6.975 1.006 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.655 -8.376 0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.549 -9.998 2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.849 -9.194 0.908 1.00 0.00 H new ATOM 701 N SER A 44 2.810 -6.318 -1.547 1.00 0.00 N ATOM 702 CA SER A 44 2.097 -5.528 -2.536 1.00 0.00 C ATOM 703 C SER A 44 1.617 -4.202 -1.908 1.00 0.00 C ATOM 704 O SER A 44 2.439 -3.366 -1.534 1.00 0.00 O ATOM 705 CB SER A 44 0.960 -6.386 -3.135 1.00 0.00 C ATOM 706 OG SER A 44 0.054 -6.825 -2.139 1.00 0.00 O ATOM 0 H SER A 44 2.300 -6.392 -0.667 1.00 0.00 H new ATOM 0 HA SER A 44 2.752 -5.245 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.423 -5.806 -3.885 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.386 -7.250 -3.645 1.00 0.00 H new ATOM 0 HG SER A 44 0.368 -6.530 -1.259 1.00 0.00 H new ATOM 712 N ASN A 45 0.287 -4.036 -1.806 1.00 0.00 N ATOM 713 CA ASN A 45 -0.518 -2.910 -1.319 1.00 0.00 C ATOM 714 C ASN A 45 0.092 -1.529 -1.631 1.00 0.00 C ATOM 715 O ASN A 45 0.013 -0.592 -0.838 1.00 0.00 O ATOM 716 CB ASN A 45 -0.907 -3.178 0.151 1.00 0.00 C ATOM 717 CG ASN A 45 -2.031 -2.286 0.700 1.00 0.00 C ATOM 718 OD1 ASN A 45 -2.637 -1.494 -0.020 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.328 -2.428 1.994 1.00 0.00 N ATOM 0 H ASN A 45 -0.327 -4.793 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.450 -2.849 -1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.212 -4.220 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.023 -3.047 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.075 -1.872 2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.808 -3.093 2.567 1.00 0.00 H new ATOM 726 N ARG A 46 0.730 -1.448 -2.808 1.00 0.00 N ATOM 727 CA ARG A 46 1.378 -0.298 -3.409 1.00 0.00 C ATOM 728 C ARG A 46 0.363 0.428 -4.294 1.00 0.00 C ATOM 729 O ARG A 46 -0.056 -0.134 -5.308 1.00 0.00 O ATOM 730 CB ARG A 46 2.605 -0.808 -4.179 1.00 0.00 C ATOM 731 CG ARG A 46 3.547 0.298 -4.693 1.00 0.00 C ATOM 732 CD ARG A 46 3.057 0.946 -5.996 1.00 0.00 C ATOM 733 NE ARG A 46 4.024 1.926 -6.516 1.00 0.00 N ATOM 734 CZ ARG A 46 4.095 2.355 -7.791 1.00 0.00 C ATOM 735 NH1 ARG A 46 3.305 1.843 -8.748 1.00 0.00 N ATOM 736 NH2 ARG A 46 4.968 3.320 -8.114 1.00 0.00 N ATOM 0 H ARG A 46 0.806 -2.268 -3.410 1.00 0.00 H new ATOM 0 HA ARG A 46 1.724 0.425 -2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.171 -1.477 -3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.264 -1.400 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.648 1.067 -3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.539 -0.123 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.885 0.172 -6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.100 1.438 -5.820 1.00 0.00 H new ATOM 0 HE ARG A 46 4.697 2.313 -5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.632 1.112 -8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.378 2.185 -9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.571 3.723 -7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.029 3.651 -9.077 1.00 0.00 H new ATOM 750 N PHE A 47 -0.018 1.666 -3.949 1.00 0.00 N ATOM 751 CA PHE A 47 -0.974 2.457 -4.682 1.00 0.00 C ATOM 752 C PHE A 47 -0.466 3.900 -4.774 1.00 0.00 C ATOM 753 O PHE A 47 -0.217 4.526 -3.748 1.00 0.00 O ATOM 754 CB PHE A 47 -2.276 2.331 -3.901 1.00 0.00 C ATOM 755 CG PHE A 47 -3.005 1.022 -4.170 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.580 0.768 -5.437 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.068 0.030 -3.163 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.254 -0.448 -5.678 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.724 -1.193 -3.412 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.329 -1.427 -4.665 1.00 0.00 C ATOM 0 H PHE A 47 0.350 2.144 -3.127 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.124 2.126 -5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.063 2.410 -2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.930 3.164 -4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.503 1.506 -6.222 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.612 0.210 -2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.713 -0.629 -6.639 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.763 -1.951 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.849 -2.355 -4.849 1.00 0.00 H new ATOM 770 N LYS A 48 -0.321 4.424 -6.000 1.00 0.00 N ATOM 771 CA LYS A 48 0.160 5.750 -6.332 1.00 0.00 C ATOM 772 C LYS A 48 -0.809 6.859 -5.927 1.00 0.00 C ATOM 773 O LYS A 48 -0.389 7.830 -5.301 1.00 0.00 O ATOM 774 CB LYS A 48 0.376 5.755 -7.842 1.00 0.00 C ATOM 775 CG LYS A 48 1.542 4.824 -8.199 1.00 0.00 C ATOM 776 CD LYS A 48 1.781 4.808 -9.704 1.00 0.00 C ATOM 777 CE LYS A 48 0.727 4.002 -10.477 1.00 0.00 C ATOM 778 NZ LYS A 48 1.053 3.925 -11.911 1.00 0.00 N ATOM 0 H LYS A 48 -0.556 3.886 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 48 1.077 5.957 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.531 5.429 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.588 6.767 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.446 5.153 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.327 3.814 -7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.789 5.833 -10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.767 4.389 -9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.661 2.996 -10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.252 4.464 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.322 3.374 -12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.092 4.885 -12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.976 3.462 -12.033 1.00 0.00 H new ATOM 792 N THR A 49 -2.082 6.738 -6.327 1.00 0.00 N ATOM 793 CA THR A 49 -3.131 7.710 -6.010 1.00 0.00 C ATOM 794 C THR A 49 -4.162 7.039 -5.088 1.00 0.00 C ATOM 795 O THR A 49 -4.398 5.832 -5.156 1.00 0.00 O ATOM 796 CB THR A 49 -3.730 8.328 -7.295 1.00 0.00 C ATOM 797 OG1 THR A 49 -3.901 7.374 -8.321 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.810 9.434 -7.833 1.00 0.00 C ATOM 0 H THR A 49 -2.414 5.952 -6.886 1.00 0.00 H new ATOM 0 HA THR A 49 -2.716 8.560 -5.467 1.00 0.00 H new ATOM 0 HB THR A 49 -4.705 8.729 -7.017 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.821 7.414 -8.655 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.244 9.860 -8.738 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.701 10.215 -7.080 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.831 9.013 -8.064 1.00 0.00 H new ATOM 806 N ILE A 50 -4.759 7.849 -4.203 1.00 0.00 N ATOM 807 CA ILE A 50 -5.733 7.452 -3.188 1.00 0.00 C ATOM 808 C ILE A 50 -7.052 6.927 -3.771 1.00 0.00 C ATOM 809 O ILE A 50 -7.712 6.093 -3.154 1.00 0.00 O ATOM 810 CB ILE A 50 -5.964 8.645 -2.221 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.629 9.091 -1.574 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.977 8.281 -1.118 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.768 10.298 -0.635 1.00 0.00 C ATOM 0 H ILE A 50 -4.563 8.850 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.318 6.606 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.370 9.469 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.209 8.254 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.918 9.336 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.118 9.136 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.930 8.014 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.600 7.436 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.792 10.551 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.157 11.150 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.453 10.051 0.176 1.00 0.00 H new ATOM 825 N GLU A 51 -7.422 7.380 -4.967 1.00 0.00 N ATOM 826 CA GLU A 51 -8.659 6.985 -5.634 1.00 0.00 C ATOM 827 C GLU A 51 -8.502 5.566 -6.139 1.00 0.00 C ATOM 828 O GLU A 51 -9.300 4.684 -5.847 1.00 0.00 O ATOM 829 CB GLU A 51 -8.979 7.979 -6.762 1.00 0.00 C ATOM 830 CG GLU A 51 -9.037 9.420 -6.236 1.00 0.00 C ATOM 831 CD GLU A 51 -9.686 10.367 -7.247 1.00 0.00 C ATOM 832 OE1 GLU A 51 -8.972 10.770 -8.192 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.887 10.666 -7.065 1.00 0.00 O ATOM 0 H GLU A 51 -6.863 8.041 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.501 7.007 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.221 7.904 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.933 7.718 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.599 9.444 -5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.028 9.765 -6.010 1.00 0.00 H new ATOM 840 N GLU A 52 -7.420 5.407 -6.886 1.00 0.00 N ATOM 841 CA GLU A 52 -6.876 4.202 -7.488 1.00 0.00 C ATOM 842 C GLU A 52 -6.744 3.108 -6.425 1.00 0.00 C ATOM 843 O GLU A 52 -6.999 1.936 -6.699 1.00 0.00 O ATOM 844 CB GLU A 52 -5.514 4.609 -8.089 1.00 0.00 C ATOM 845 CG GLU A 52 -5.615 4.907 -9.594 1.00 0.00 C ATOM 846 CD GLU A 52 -6.704 5.932 -9.926 1.00 0.00 C ATOM 847 OE1 GLU A 52 -6.481 7.126 -9.626 1.00 0.00 O ATOM 848 OE2 GLU A 52 -7.749 5.507 -10.467 1.00 0.00 O ATOM 0 H GLU A 52 -6.836 6.213 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.519 3.792 -8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.137 5.490 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.792 3.809 -7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.654 5.277 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.820 3.980 -10.130 1.00 0.00 H new ATOM 855 N CYS A 53 -6.341 3.506 -5.211 1.00 0.00 N ATOM 856 CA CYS A 53 -6.224 2.638 -4.058 1.00 0.00 C ATOM 857 C CYS A 53 -7.629 2.198 -3.675 1.00 0.00 C ATOM 858 O CYS A 53 -7.918 1.004 -3.664 1.00 0.00 O ATOM 859 CB CYS A 53 -5.581 3.410 -2.908 1.00 0.00 C ATOM 860 SG CYS A 53 -4.957 2.421 -1.523 1.00 0.00 S ATOM 0 H CYS A 53 -6.082 4.472 -5.010 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.603 1.770 -4.280 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.754 3.995 -3.310 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.314 4.118 -2.520 1.00 0.00 H new ATOM 865 N ARG A 54 -8.500 3.187 -3.411 1.00 0.00 N ATOM 866 CA ARG A 54 -9.882 2.926 -3.020 1.00 0.00 C ATOM 867 C ARG A 54 -10.689 2.134 -4.073 1.00 0.00 C ATOM 868 O ARG A 54 -11.616 1.430 -3.686 1.00 0.00 O ATOM 869 CB ARG A 54 -10.579 4.235 -2.626 1.00 0.00 C ATOM 870 CG ARG A 54 -10.030 4.766 -1.285 1.00 0.00 C ATOM 871 CD ARG A 54 -10.950 5.838 -0.692 1.00 0.00 C ATOM 872 NE ARG A 54 -10.707 7.147 -1.315 1.00 0.00 N ATOM 873 CZ ARG A 54 -11.186 8.325 -0.879 1.00 0.00 C ATOM 874 NH1 ARG A 54 -11.998 8.394 0.188 1.00 0.00 N ATOM 875 NH2 ARG A 54 -10.844 9.450 -1.521 1.00 0.00 N ATOM 0 H ARG A 54 -8.262 4.178 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.844 2.273 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.429 4.981 -3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.653 4.070 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.927 3.941 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.034 5.182 -1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.991 5.550 -0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.787 5.908 0.383 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.124 7.163 -2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.262 7.543 0.684 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.351 9.298 0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.226 9.407 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.201 10.350 -1.199 1.00 0.00 H new ATOM 889 N ARG A 55 -10.385 2.198 -5.380 1.00 0.00 N ATOM 890 CA ARG A 55 -11.117 1.428 -6.392 1.00 0.00 C ATOM 891 C ARG A 55 -11.192 -0.081 -6.077 1.00 0.00 C ATOM 892 O ARG A 55 -12.201 -0.739 -6.326 1.00 0.00 O ATOM 893 CB ARG A 55 -10.373 1.562 -7.730 1.00 0.00 C ATOM 894 CG ARG A 55 -10.629 2.900 -8.439 1.00 0.00 C ATOM 895 CD ARG A 55 -10.300 2.835 -9.937 1.00 0.00 C ATOM 896 NE ARG A 55 -8.906 2.431 -10.179 1.00 0.00 N ATOM 897 CZ ARG A 55 -8.314 2.347 -11.384 1.00 0.00 C ATOM 898 NH1 ARG A 55 -8.969 2.682 -12.507 1.00 0.00 N ATOM 899 NH2 ARG A 55 -7.046 1.920 -11.465 1.00 0.00 N ATOM 0 H ARG A 55 -9.635 2.777 -5.758 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.132 1.825 -6.417 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.303 1.451 -7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.674 0.747 -8.388 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.674 3.183 -8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.027 3.679 -7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.972 2.129 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.478 3.810 -10.390 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.340 2.195 -9.364 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.934 3.008 -12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.501 2.611 -13.411 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.539 1.662 -10.618 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.588 1.853 -12.374 1.00 0.00 H new ATOM 913 N THR A 56 -10.082 -0.590 -5.543 1.00 0.00 N ATOM 914 CA THR A 56 -9.773 -1.968 -5.188 1.00 0.00 C ATOM 915 C THR A 56 -9.944 -2.236 -3.686 1.00 0.00 C ATOM 916 O THR A 56 -10.490 -3.273 -3.308 1.00 0.00 O ATOM 917 CB THR A 56 -8.302 -2.229 -5.609 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.083 -1.838 -6.954 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.901 -3.706 -5.503 1.00 0.00 C ATOM 0 H THR A 56 -9.295 0.022 -5.327 1.00 0.00 H new ATOM 0 HA THR A 56 -10.464 -2.637 -5.701 1.00 0.00 H new ATOM 0 HB THR A 56 -7.698 -1.640 -4.918 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.149 -2.010 -7.197 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.862 -3.824 -5.811 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.014 -4.041 -4.472 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.542 -4.304 -6.151 1.00 0.00 H new ATOM 927 N CYS A 57 -9.471 -1.311 -2.837 1.00 0.00 N ATOM 928 CA CYS A 57 -9.470 -1.381 -1.397 1.00 0.00 C ATOM 929 C CYS A 57 -10.753 -0.879 -0.741 1.00 0.00 C ATOM 930 O CYS A 57 -10.890 -1.022 0.473 1.00 0.00 O ATOM 931 CB CYS A 57 -8.236 -0.604 -0.936 1.00 0.00 C ATOM 932 SG CYS A 57 -6.616 -1.182 -1.544 1.00 0.00 S ATOM 0 H CYS A 57 -9.055 -0.444 -3.177 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.429 -2.424 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.359 0.436 -1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.214 -0.620 0.154 1.00 0.00 H new ATOM 937 N ILE A 58 -11.667 -0.282 -1.516 1.00 0.00 N ATOM 938 CA ILE A 58 -12.978 0.172 -1.016 1.00 0.00 C ATOM 939 C ILE A 58 -14.118 -0.528 -1.783 1.00 0.00 C ATOM 940 O ILE A 58 -15.245 -0.591 -1.294 1.00 0.00 O ATOM 941 CB ILE A 58 -13.149 1.699 -0.998 1.00 0.00 C ATOM 942 CG1 ILE A 58 -12.032 2.384 -0.196 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.482 2.102 -0.343 1.00 0.00 C ATOM 944 CD1 ILE A 58 -12.033 2.195 1.313 1.00 0.00 C ATOM 0 H ILE A 58 -11.522 -0.098 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 58 -13.027 -0.123 0.032 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.118 2.017 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.076 2.027 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.078 3.454 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.575 3.188 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -15.309 1.666 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.508 1.737 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.190 2.733 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.964 2.582 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.946 1.134 1.547 1.00 0.00 H new ATOM 956 N ARG A 59 -13.807 -1.072 -2.967 1.00 0.00 N ATOM 957 CA ARG A 59 -14.653 -1.790 -3.902 1.00 0.00 C ATOM 958 C ARG A 59 -15.460 -0.817 -4.778 1.00 0.00 C ATOM 959 O ARG A 59 -15.844 0.264 -4.330 1.00 0.00 O ATOM 960 CB ARG A 59 -15.565 -2.791 -3.171 1.00 0.00 C ATOM 961 CG ARG A 59 -15.957 -3.904 -4.139 1.00 0.00 C ATOM 962 CD ARG A 59 -16.739 -5.010 -3.422 1.00 0.00 C ATOM 963 NE ARG A 59 -17.148 -6.075 -4.351 1.00 0.00 N ATOM 964 CZ ARG A 59 -18.223 -6.049 -5.160 1.00 0.00 C ATOM 965 NH1 ARG A 59 -19.020 -4.971 -5.232 1.00 0.00 N ATOM 966 NH2 ARG A 59 -18.507 -7.125 -5.907 1.00 0.00 N ATOM 0 H ARG A 59 -12.853 -1.007 -3.321 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.008 -2.366 -4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.049 -3.208 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.456 -2.286 -2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.562 -3.491 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.061 -4.325 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.124 -5.435 -2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.622 -4.582 -2.947 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.563 -6.910 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.816 -4.147 -4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.829 -4.976 -5.853 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.911 -7.951 -5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.319 -7.118 -6.524 1.00 0.00 H new ATOM 980 N LYS A 60 -15.725 -1.220 -6.030 1.00 0.00 N ATOM 981 CA LYS A 60 -16.482 -0.448 -7.011 1.00 0.00 C ATOM 982 C LYS A 60 -17.983 -0.603 -6.724 1.00 0.00 C ATOM 983 O LYS A 60 -18.460 -1.761 -6.739 1.00 0.00 O ATOM 984 CB LYS A 60 -16.151 -0.933 -8.436 1.00 0.00 C ATOM 985 CG LYS A 60 -14.666 -0.812 -8.824 1.00 0.00 C ATOM 986 CD LYS A 60 -14.088 0.611 -8.750 1.00 0.00 C ATOM 987 CE LYS A 60 -14.826 1.602 -9.662 1.00 0.00 C ATOM 988 NZ LYS A 60 -14.163 2.917 -9.684 1.00 0.00 N ATOM 989 OXT LYS A 60 -18.633 0.440 -6.491 1.00 0.00 O ATOM 0 H LYS A 60 -15.407 -2.119 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 60 -16.210 0.605 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.454 -1.976 -8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.747 -0.362 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.082 -1.460 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.540 -1.187 -9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.138 0.965 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.034 0.585 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.872 1.200 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.854 1.718 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.689 3.560 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.141 3.311 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.190 2.810 -10.036 1.00 0.00 H new