USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -3.13! C(o=-4!,f=-3.9!) USER MOD Set 1.2: A 47 ASN : amide:sc= -0.878 K(o=-4,f=-5.3!) USER MOD Single : A 1 LEU N :NH3+ 151:sc= 0.0184 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -177:sc= 0.573 (180deg=0.465) USER MOD Single : A 5 GLN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.703 X(o=-0.7,f=-0.55) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.33) USER MOD Single : A 23 THR OG1 : rot 52:sc= 0.0121 USER MOD Single : A 25 MET CE :methyl -145:sc= -0.275 (180deg=-0.884) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -1.35 K(o=-1.3,f=-2.6!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 39 SER OG : rot 53:sc= 0.899 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -171:sc= -1.4! USER MOD Single : A 46 ASN : amide:sc= 0.666 K(o=0.67,f=0.02) USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0.975) USER MOD Single : A 51 SER OG : rot 52:sc= 0.0233 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0709 USER MOD Single : A 56 ASN : amide:sc= -1.48! C(o=-1.5!,f=-14!) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= 1.14 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.228 14.588 2.061 1.00 0.00 N ATOM 2 CA LEU A 1 4.371 13.363 2.814 1.00 0.00 C ATOM 3 C LEU A 1 5.499 12.534 2.310 1.00 0.00 C ATOM 4 O LEU A 1 5.750 12.462 1.103 1.00 0.00 O ATOM 5 CB LEU A 1 3.092 12.537 2.794 1.00 0.00 C ATOM 6 CG LEU A 1 1.993 12.980 3.737 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.766 12.123 3.536 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.483 12.864 5.166 1.00 0.00 C ATOM 0 H1 LEU A 1 3.232 14.887 2.071 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.817 15.330 2.490 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.532 14.430 1.079 1.00 0.00 H new ATOM 0 HA LEU A 1 4.584 13.659 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.695 12.545 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.348 11.504 3.028 1.00 0.00 H new ATOM 0 HG LEU A 1 1.731 14.017 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.020 12.448 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.418 12.221 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.013 11.081 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.694 13.182 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.749 11.828 5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.359 13.498 5.303 1.00 0.00 H new ATOM 22 N LYS A 2 6.217 11.954 3.224 1.00 0.00 N ATOM 23 CA LYS A 2 7.224 11.020 2.882 1.00 0.00 C ATOM 24 C LYS A 2 6.772 9.628 3.304 1.00 0.00 C ATOM 25 O LYS A 2 6.598 9.342 4.499 1.00 0.00 O ATOM 26 CB LYS A 2 8.594 11.422 3.444 1.00 0.00 C ATOM 27 CG LYS A 2 8.635 11.650 4.933 1.00 0.00 C ATOM 28 CD LYS A 2 10.018 12.048 5.394 1.00 0.00 C ATOM 29 CE LYS A 2 10.013 12.413 6.859 1.00 0.00 C ATOM 30 NZ LYS A 2 9.122 13.564 7.124 1.00 0.00 N ATOM 0 H LYS A 2 6.114 12.121 4.225 1.00 0.00 H new ATOM 0 HA LYS A 2 7.365 11.010 1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.315 10.644 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.921 12.334 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.922 12.429 5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.325 10.742 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.713 11.226 5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.372 12.894 4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.688 11.556 7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.027 12.654 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.179 13.823 8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.417 14.373 6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.142 13.306 6.888 1.00 0.00 H new ATOM 44 N CYS A 3 6.547 8.791 2.339 1.00 0.00 N ATOM 45 CA CYS A 3 6.009 7.477 2.570 1.00 0.00 C ATOM 46 C CYS A 3 6.737 6.420 1.756 1.00 0.00 C ATOM 47 O CYS A 3 7.511 6.739 0.830 1.00 0.00 O ATOM 48 CB CYS A 3 4.498 7.463 2.338 1.00 0.00 C ATOM 49 SG CYS A 3 3.564 8.463 3.551 1.00 0.00 S ATOM 0 H CYS A 3 6.732 8.998 1.358 1.00 0.00 H new ATOM 0 HA CYS A 3 6.176 7.219 3.616 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.289 7.835 1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.142 6.434 2.377 1.00 0.00 H new ATOM 54 N PHE A 4 6.528 5.170 2.109 1.00 0.00 N ATOM 55 CA PHE A 4 7.243 4.071 1.505 1.00 0.00 C ATOM 56 C PHE A 4 6.635 3.726 0.162 1.00 0.00 C ATOM 57 O PHE A 4 5.716 2.933 0.096 1.00 0.00 O ATOM 58 CB PHE A 4 7.190 2.829 2.404 1.00 0.00 C ATOM 59 CG PHE A 4 7.711 3.030 3.792 1.00 0.00 C ATOM 60 CD1 PHE A 4 9.041 2.836 4.074 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.862 3.392 4.820 1.00 0.00 C ATOM 62 CE1 PHE A 4 9.519 2.998 5.352 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.333 3.564 6.098 1.00 0.00 C ATOM 64 CZ PHE A 4 8.664 3.367 6.368 1.00 0.00 C ATOM 0 H PHE A 4 5.857 4.889 2.824 1.00 0.00 H new ATOM 0 HA PHE A 4 8.280 4.379 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.157 2.488 2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.761 2.031 1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.719 2.553 3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.812 3.542 4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.566 2.836 5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.657 3.854 6.889 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.040 3.500 7.372 1.00 0.00 H new ATOM 74 N GLN A 5 7.069 4.388 -0.882 1.00 0.00 N ATOM 75 CA GLN A 5 6.559 4.075 -2.215 1.00 0.00 C ATOM 76 C GLN A 5 7.332 2.913 -2.851 1.00 0.00 C ATOM 77 O GLN A 5 6.761 2.024 -3.471 1.00 0.00 O ATOM 78 CB GLN A 5 6.593 5.307 -3.133 1.00 0.00 C ATOM 79 CG GLN A 5 6.032 5.052 -4.535 1.00 0.00 C ATOM 80 CD GLN A 5 6.086 6.265 -5.453 1.00 0.00 C ATOM 81 OE1 GLN A 5 5.237 6.428 -6.332 1.00 0.00 O ATOM 82 NE2 GLN A 5 7.077 7.105 -5.292 1.00 0.00 N ATOM 0 H GLN A 5 7.762 5.136 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 5 5.520 3.768 -2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.025 6.112 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.623 5.653 -3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.589 4.236 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.997 4.722 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.766 6.946 -4.557 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.160 7.918 -5.902 1.00 0.00 H new ATOM 91 N HIS A 6 8.625 2.915 -2.689 1.00 0.00 N ATOM 92 CA HIS A 6 9.446 1.885 -3.326 1.00 0.00 C ATOM 93 C HIS A 6 9.942 0.886 -2.314 1.00 0.00 C ATOM 94 O HIS A 6 10.626 -0.084 -2.643 1.00 0.00 O ATOM 95 CB HIS A 6 10.613 2.522 -4.082 1.00 0.00 C ATOM 96 CG HIS A 6 10.171 3.454 -5.170 1.00 0.00 C ATOM 97 ND1 HIS A 6 9.925 3.062 -6.462 1.00 0.00 N ATOM 98 CD2 HIS A 6 9.900 4.781 -5.125 1.00 0.00 C ATOM 99 CE1 HIS A 6 9.516 4.129 -7.152 1.00 0.00 C ATOM 100 NE2 HIS A 6 9.484 5.206 -6.383 1.00 0.00 N ATOM 0 H HIS A 6 9.140 3.599 -2.135 1.00 0.00 H new ATOM 0 HA HIS A 6 8.824 1.350 -4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 6 11.240 3.068 -3.377 1.00 0.00 H new ATOM 0 HB3 HIS A 6 11.231 1.735 -4.515 1.00 0.00 H new ATOM 0 HD2 HIS A 6 9.992 5.409 -4.251 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.247 4.115 -8.198 1.00 0.00 H new ATOM 0 HE2 HIS A 6 9.211 6.150 -6.656 1.00 0.00 H new ATOM 108 N GLY A 7 9.572 1.110 -1.094 1.00 0.00 N ATOM 109 CA GLY A 7 10.042 0.305 -0.010 1.00 0.00 C ATOM 110 C GLY A 7 10.733 1.183 0.973 1.00 0.00 C ATOM 111 O GLY A 7 10.635 0.987 2.186 1.00 0.00 O ATOM 0 H GLY A 7 8.934 1.857 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.208 -0.212 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.725 -0.461 -0.377 1.00 0.00 H new ATOM 115 N LYS A 8 11.436 2.156 0.446 1.00 0.00 N ATOM 116 CA LYS A 8 12.075 3.156 1.246 1.00 0.00 C ATOM 117 C LYS A 8 11.166 4.362 1.346 1.00 0.00 C ATOM 118 O LYS A 8 10.223 4.512 0.538 1.00 0.00 O ATOM 119 CB LYS A 8 13.437 3.569 0.658 1.00 0.00 C ATOM 120 CG LYS A 8 13.378 4.270 -0.704 1.00 0.00 C ATOM 121 CD LYS A 8 14.771 4.654 -1.207 1.00 0.00 C ATOM 122 CE LYS A 8 15.636 3.429 -1.465 1.00 0.00 C ATOM 123 NZ LYS A 8 16.995 3.780 -1.905 1.00 0.00 N ATOM 0 H LYS A 8 11.578 2.271 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 8 12.259 2.741 2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.935 4.230 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.058 2.678 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.898 3.614 -1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.761 5.165 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.679 5.234 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.259 5.295 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.695 2.832 -0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.162 2.807 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.543 2.911 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.944 4.327 -2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.461 4.351 -1.171 1.00 0.00 H new ATOM 137 N VAL A 9 11.427 5.198 2.318 1.00 0.00 N ATOM 138 CA VAL A 9 10.657 6.403 2.524 1.00 0.00 C ATOM 139 C VAL A 9 11.076 7.419 1.476 1.00 0.00 C ATOM 140 O VAL A 9 12.265 7.736 1.369 1.00 0.00 O ATOM 141 CB VAL A 9 10.925 7.026 3.917 1.00 0.00 C ATOM 142 CG1 VAL A 9 9.943 8.131 4.203 1.00 0.00 C ATOM 143 CG2 VAL A 9 10.906 5.993 5.015 1.00 0.00 C ATOM 0 H VAL A 9 12.181 5.064 2.992 1.00 0.00 H new ATOM 0 HA VAL A 9 9.600 6.148 2.452 1.00 0.00 H new ATOM 0 HB VAL A 9 11.929 7.450 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.149 8.555 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.039 8.908 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.929 7.731 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.099 6.476 5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.930 5.509 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.676 5.245 4.825 1.00 0.00 H new ATOM 153 N VAL A 10 10.139 7.886 0.689 1.00 0.00 N ATOM 154 CA VAL A 10 10.421 8.876 -0.333 1.00 0.00 C ATOM 155 C VAL A 10 9.423 10.019 -0.229 1.00 0.00 C ATOM 156 O VAL A 10 8.305 9.823 0.258 1.00 0.00 O ATOM 157 CB VAL A 10 10.379 8.280 -1.784 1.00 0.00 C ATOM 158 CG1 VAL A 10 11.381 7.151 -1.950 1.00 0.00 C ATOM 159 CG2 VAL A 10 8.982 7.803 -2.157 1.00 0.00 C ATOM 0 H VAL A 10 9.162 7.596 0.734 1.00 0.00 H new ATOM 0 HA VAL A 10 11.435 9.235 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 10 10.654 9.087 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.325 6.761 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.387 7.526 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.152 6.354 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.994 7.397 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.664 7.029 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.287 8.641 -2.111 1.00 0.00 H new ATOM 169 N THR A 11 9.829 11.198 -0.632 1.00 0.00 N ATOM 170 CA THR A 11 8.934 12.325 -0.667 1.00 0.00 C ATOM 171 C THR A 11 7.939 12.136 -1.823 1.00 0.00 C ATOM 172 O THR A 11 8.337 12.010 -2.982 1.00 0.00 O ATOM 173 CB THR A 11 9.722 13.655 -0.843 1.00 0.00 C ATOM 174 OG1 THR A 11 10.615 13.853 0.280 1.00 0.00 O ATOM 175 CG2 THR A 11 8.779 14.850 -0.954 1.00 0.00 C ATOM 0 H THR A 11 10.779 11.401 -0.942 1.00 0.00 H new ATOM 0 HA THR A 11 8.394 12.382 0.278 1.00 0.00 H new ATOM 0 HB THR A 11 10.297 13.582 -1.766 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.109 14.691 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.362 15.763 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.125 14.719 -1.816 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.176 14.923 -0.049 1.00 0.00 H new ATOM 183 N CYS A 12 6.679 12.067 -1.492 1.00 0.00 N ATOM 184 CA CYS A 12 5.634 11.880 -2.459 1.00 0.00 C ATOM 185 C CYS A 12 5.246 13.217 -3.105 1.00 0.00 C ATOM 186 O CYS A 12 5.546 14.293 -2.559 1.00 0.00 O ATOM 187 CB CYS A 12 4.465 11.126 -1.808 1.00 0.00 C ATOM 188 SG CYS A 12 4.968 9.445 -1.243 1.00 0.00 S ATOM 0 H CYS A 12 6.345 12.140 -0.531 1.00 0.00 H new ATOM 0 HA CYS A 12 5.983 11.258 -3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.090 11.698 -0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.645 11.040 -2.521 1.00 0.00 H new ATOM 193 N HIS A 13 4.639 13.146 -4.283 1.00 0.00 N ATOM 194 CA HIS A 13 4.316 14.323 -5.103 1.00 0.00 C ATOM 195 C HIS A 13 3.361 15.282 -4.380 1.00 0.00 C ATOM 196 O HIS A 13 2.651 14.887 -3.463 1.00 0.00 O ATOM 197 CB HIS A 13 3.704 13.851 -6.433 1.00 0.00 C ATOM 198 CG HIS A 13 3.542 14.891 -7.501 1.00 0.00 C ATOM 199 ND1 HIS A 13 2.355 15.147 -8.143 1.00 0.00 N ATOM 200 CD2 HIS A 13 4.458 15.708 -8.073 1.00 0.00 C ATOM 201 CE1 HIS A 13 2.578 16.086 -9.065 1.00 0.00 C ATOM 202 NE2 HIS A 13 3.840 16.461 -9.061 1.00 0.00 N ATOM 0 H HIS A 13 4.351 12.264 -4.707 1.00 0.00 H new ATOM 0 HA HIS A 13 5.236 14.877 -5.292 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.327 13.049 -6.829 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.724 13.421 -6.224 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.502 15.764 -7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.823 16.485 -9.726 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.275 17.162 -9.661 1.00 0.00 H new ATOM 210 N ARG A 14 3.350 16.528 -4.840 1.00 0.00 N ATOM 211 CA ARG A 14 2.522 17.634 -4.299 1.00 0.00 C ATOM 212 C ARG A 14 1.037 17.245 -4.197 1.00 0.00 C ATOM 213 O ARG A 14 0.333 17.681 -3.292 1.00 0.00 O ATOM 214 CB ARG A 14 2.628 18.872 -5.230 1.00 0.00 C ATOM 215 CG ARG A 14 2.073 18.590 -6.614 1.00 0.00 C ATOM 216 CD ARG A 14 2.050 19.768 -7.548 1.00 0.00 C ATOM 217 NE ARG A 14 1.315 19.390 -8.770 1.00 0.00 N ATOM 218 CZ ARG A 14 1.303 20.062 -9.926 1.00 0.00 C ATOM 219 NH1 ARG A 14 1.906 21.239 -10.028 1.00 0.00 N ATOM 220 NH2 ARG A 14 0.672 19.551 -10.981 1.00 0.00 N ATOM 0 H ARG A 14 3.931 16.820 -5.625 1.00 0.00 H new ATOM 0 HA ARG A 14 2.899 17.857 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.087 19.708 -4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.672 19.176 -5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.665 17.797 -7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.057 18.210 -6.510 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.571 20.621 -7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.067 20.072 -7.798 1.00 0.00 H new ATOM 0 HE ARG A 14 0.763 18.533 -8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.384 21.639 -9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.892 21.744 -10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.200 18.650 -10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.661 20.061 -11.865 1.00 0.00 H new ATOM 234 N ASP A 15 0.583 16.402 -5.117 1.00 0.00 N ATOM 235 CA ASP A 15 -0.832 16.056 -5.198 1.00 0.00 C ATOM 236 C ASP A 15 -1.152 14.922 -4.289 1.00 0.00 C ATOM 237 O ASP A 15 -2.317 14.658 -3.984 1.00 0.00 O ATOM 238 CB ASP A 15 -1.250 15.699 -6.634 1.00 0.00 C ATOM 239 CG ASP A 15 -1.259 16.885 -7.573 1.00 0.00 C ATOM 240 OD1 ASP A 15 -2.288 17.588 -7.652 1.00 0.00 O ATOM 241 OD2 ASP A 15 -0.250 17.118 -8.274 1.00 0.00 O ATOM 0 H ASP A 15 1.171 15.947 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.394 16.937 -4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.570 14.942 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.245 15.254 -6.614 1.00 0.00 H new ATOM 246 N MET A 16 -0.125 14.274 -3.831 1.00 0.00 N ATOM 247 CA MET A 16 -0.255 13.117 -3.012 1.00 0.00 C ATOM 248 C MET A 16 -0.470 13.519 -1.582 1.00 0.00 C ATOM 249 O MET A 16 0.458 13.896 -0.865 1.00 0.00 O ATOM 250 CB MET A 16 0.961 12.191 -3.200 1.00 0.00 C ATOM 251 CG MET A 16 0.904 11.359 -4.460 1.00 0.00 C ATOM 252 SD MET A 16 0.771 12.307 -5.976 1.00 0.00 S ATOM 253 CE MET A 16 0.604 10.960 -7.110 1.00 0.00 C ATOM 0 H MET A 16 0.841 14.542 -4.021 1.00 0.00 H new ATOM 0 HA MET A 16 -1.133 12.547 -3.316 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.868 12.796 -3.216 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.036 11.526 -2.340 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.800 10.740 -4.512 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.052 10.682 -4.394 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.507 11.348 -8.124 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.485 10.321 -7.049 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.283 10.379 -6.857 1.00 0.00 H new ATOM 263 N LYS A 17 -1.715 13.463 -1.183 1.00 0.00 N ATOM 264 CA LYS A 17 -2.128 13.870 0.138 1.00 0.00 C ATOM 265 C LYS A 17 -2.243 12.668 1.035 1.00 0.00 C ATOM 266 O LYS A 17 -2.320 12.796 2.261 1.00 0.00 O ATOM 267 CB LYS A 17 -3.490 14.570 0.076 1.00 0.00 C ATOM 268 CG LYS A 17 -3.555 15.749 -0.874 1.00 0.00 C ATOM 269 CD LYS A 17 -4.904 16.446 -0.798 1.00 0.00 C ATOM 270 CE LYS A 17 -4.968 17.613 -1.764 1.00 0.00 C ATOM 271 NZ LYS A 17 -6.207 18.399 -1.613 1.00 0.00 N ATOM 0 H LYS A 17 -2.479 13.130 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.381 14.557 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.244 13.841 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.753 14.913 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.763 16.458 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.377 15.407 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.698 15.735 -1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.077 16.800 0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.107 18.262 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.900 17.240 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.205 19.185 -2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.030 17.788 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.262 18.779 -0.646 1.00 0.00 H new ATOM 285 N PHE A 18 -2.260 11.506 0.424 1.00 0.00 N ATOM 286 CA PHE A 18 -2.436 10.279 1.138 1.00 0.00 C ATOM 287 C PHE A 18 -1.388 9.294 0.707 1.00 0.00 C ATOM 288 O PHE A 18 -0.943 9.304 -0.441 1.00 0.00 O ATOM 289 CB PHE A 18 -3.823 9.671 0.848 1.00 0.00 C ATOM 290 CG PHE A 18 -4.997 10.546 1.199 1.00 0.00 C ATOM 291 CD1 PHE A 18 -5.568 10.493 2.457 1.00 0.00 C ATOM 292 CD2 PHE A 18 -5.538 11.410 0.260 1.00 0.00 C ATOM 293 CE1 PHE A 18 -6.653 11.287 2.774 1.00 0.00 C ATOM 294 CE2 PHE A 18 -6.620 12.204 0.567 1.00 0.00 C ATOM 295 CZ PHE A 18 -7.181 12.142 1.827 1.00 0.00 C ATOM 0 H PHE A 18 -2.151 11.393 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.350 10.490 2.204 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.879 9.425 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.913 8.734 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.161 9.823 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.104 11.461 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.088 11.239 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.029 12.873 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.031 12.761 2.072 1.00 0.00 H new ATOM 305 N CYS A 19 -1.001 8.481 1.599 1.00 0.00 N ATOM 306 CA CYS A 19 -0.113 7.411 1.337 1.00 0.00 C ATOM 307 C CYS A 19 -0.951 6.163 1.394 1.00 0.00 C ATOM 308 O CYS A 19 -1.930 6.118 2.147 1.00 0.00 O ATOM 309 CB CYS A 19 0.978 7.377 2.396 1.00 0.00 C ATOM 310 SG CYS A 19 1.866 8.959 2.574 1.00 0.00 S ATOM 0 H CYS A 19 -1.300 8.536 2.573 1.00 0.00 H new ATOM 0 HA CYS A 19 0.379 7.512 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.535 7.108 3.355 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.693 6.594 2.145 1.00 0.00 H new ATOM 315 N TYR A 20 -0.651 5.188 0.604 1.00 0.00 N ATOM 316 CA TYR A 20 -1.444 4.007 0.623 1.00 0.00 C ATOM 317 C TYR A 20 -0.603 2.779 0.726 1.00 0.00 C ATOM 318 O TYR A 20 0.551 2.738 0.262 1.00 0.00 O ATOM 319 CB TYR A 20 -2.415 3.908 -0.587 1.00 0.00 C ATOM 320 CG TYR A 20 -1.765 3.790 -1.961 1.00 0.00 C ATOM 321 CD1 TYR A 20 -1.381 2.555 -2.476 1.00 0.00 C ATOM 322 CD2 TYR A 20 -1.555 4.904 -2.739 1.00 0.00 C ATOM 323 CE1 TYR A 20 -0.803 2.450 -3.721 1.00 0.00 C ATOM 324 CE2 TYR A 20 -0.980 4.806 -3.989 1.00 0.00 C ATOM 325 CZ TYR A 20 -0.605 3.583 -4.472 1.00 0.00 C ATOM 326 OH TYR A 20 -0.035 3.493 -5.712 1.00 0.00 O ATOM 0 H TYR A 20 0.127 5.184 -0.055 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.060 4.077 1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.062 3.043 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.056 4.790 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.539 1.663 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.846 5.874 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.508 1.484 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.826 5.693 -4.585 1.00 0.00 H new ATOM 0 HH TYR A 20 0.031 4.387 -6.107 1.00 0.00 H new ATOM 336 N HIS A 21 -1.148 1.827 1.372 1.00 0.00 N ATOM 337 CA HIS A 21 -0.597 0.532 1.447 1.00 0.00 C ATOM 338 C HIS A 21 -1.634 -0.380 0.841 1.00 0.00 C ATOM 339 O HIS A 21 -2.667 -0.656 1.450 1.00 0.00 O ATOM 340 CB HIS A 21 -0.292 0.172 2.919 1.00 0.00 C ATOM 341 CG HIS A 21 0.301 -1.192 3.159 1.00 0.00 C ATOM 342 ND1 HIS A 21 0.434 -1.746 4.407 1.00 0.00 N ATOM 343 CD2 HIS A 21 0.804 -2.108 2.290 1.00 0.00 C ATOM 344 CE1 HIS A 21 0.992 -2.948 4.276 1.00 0.00 C ATOM 345 NE2 HIS A 21 1.237 -3.222 3.001 1.00 0.00 N ATOM 0 H HIS A 21 -2.024 1.930 1.884 1.00 0.00 H new ATOM 0 HA HIS A 21 0.349 0.445 0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.393 0.919 3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.217 0.249 3.490 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.859 -1.990 1.218 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.215 -3.612 5.098 1.00 0.00 H new ATOM 0 HE2 HIS A 21 1.655 -4.072 2.622 1.00 0.00 H new ATOM 353 N ASN A 22 -1.400 -0.761 -0.375 1.00 0.00 N ATOM 354 CA ASN A 22 -2.300 -1.622 -1.093 1.00 0.00 C ATOM 355 C ASN A 22 -1.659 -2.981 -1.142 1.00 0.00 C ATOM 356 O ASN A 22 -0.444 -3.094 -1.383 1.00 0.00 O ATOM 357 CB ASN A 22 -2.533 -1.074 -2.515 1.00 0.00 C ATOM 358 CG ASN A 22 -3.584 -1.832 -3.308 1.00 0.00 C ATOM 359 OD1 ASN A 22 -3.312 -2.852 -3.943 1.00 0.00 O ATOM 360 ND2 ASN A 22 -4.763 -1.297 -3.345 1.00 0.00 N ATOM 0 H ASN A 22 -0.574 -0.484 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.272 -1.676 -0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.831 -0.028 -2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.591 -1.101 -3.062 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.498 -1.721 -3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.957 -0.452 -2.808 1.00 0.00 H new ATOM 367 N THR A 23 -2.417 -3.985 -0.880 1.00 0.00 N ATOM 368 CA THR A 23 -1.898 -5.304 -0.825 1.00 0.00 C ATOM 369 C THR A 23 -2.927 -6.263 -1.445 1.00 0.00 C ATOM 370 O THR A 23 -4.010 -5.825 -1.833 1.00 0.00 O ATOM 371 CB THR A 23 -1.526 -5.660 0.658 1.00 0.00 C ATOM 372 OG1 THR A 23 -0.925 -6.957 0.757 1.00 0.00 O ATOM 373 CG2 THR A 23 -2.733 -5.541 1.601 1.00 0.00 C ATOM 0 H THR A 23 -3.418 -3.915 -0.697 1.00 0.00 H new ATOM 0 HA THR A 23 -0.979 -5.395 -1.404 1.00 0.00 H new ATOM 0 HB THR A 23 -0.788 -4.925 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.178 -7.020 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.428 -5.797 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.110 -4.519 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.518 -6.223 1.275 1.00 0.00 H new ATOM 381 N GLY A 24 -2.602 -7.528 -1.568 1.00 0.00 N ATOM 382 CA GLY A 24 -3.511 -8.451 -2.206 1.00 0.00 C ATOM 383 C GLY A 24 -4.153 -9.378 -1.220 1.00 0.00 C ATOM 384 O GLY A 24 -4.234 -9.061 -0.025 1.00 0.00 O ATOM 0 H GLY A 24 -1.728 -7.938 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.283 -7.892 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.971 -9.033 -2.953 1.00 0.00 H new ATOM 388 N MET A 25 -4.625 -10.506 -1.697 1.00 0.00 N ATOM 389 CA MET A 25 -5.209 -11.509 -0.828 1.00 0.00 C ATOM 390 C MET A 25 -4.088 -12.220 -0.099 1.00 0.00 C ATOM 391 O MET A 25 -3.127 -12.656 -0.735 1.00 0.00 O ATOM 392 CB MET A 25 -6.029 -12.533 -1.619 1.00 0.00 C ATOM 393 CG MET A 25 -7.249 -11.977 -2.333 1.00 0.00 C ATOM 394 SD MET A 25 -8.149 -13.241 -3.262 1.00 0.00 S ATOM 395 CE MET A 25 -6.878 -13.790 -4.405 1.00 0.00 C ATOM 0 H MET A 25 -4.617 -10.756 -2.686 1.00 0.00 H new ATOM 0 HA MET A 25 -5.881 -11.015 -0.126 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.379 -13.002 -2.358 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.354 -13.318 -0.937 1.00 0.00 H new ATOM 0 HG2 MET A 25 -7.918 -11.524 -1.601 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.937 -11.185 -3.013 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.334 -14.042 -5.362 1.00 0.00 H new ATOM 0 HE2 MET A 25 -6.149 -12.992 -4.549 1.00 0.00 H new ATOM 0 HE3 MET A 25 -6.378 -14.669 -3.998 1.00 0.00 H new ATOM 405 N PRO A 26 -4.167 -12.322 1.231 1.00 0.00 N ATOM 406 CA PRO A 26 -3.116 -12.951 2.019 1.00 0.00 C ATOM 407 C PRO A 26 -2.987 -14.469 1.771 1.00 0.00 C ATOM 408 O PRO A 26 -3.828 -15.278 2.199 1.00 0.00 O ATOM 409 CB PRO A 26 -3.510 -12.652 3.469 1.00 0.00 C ATOM 410 CG PRO A 26 -4.973 -12.369 3.426 1.00 0.00 C ATOM 411 CD PRO A 26 -5.265 -11.808 2.068 1.00 0.00 C ATOM 0 HA PRO A 26 -2.134 -12.560 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.292 -13.499 4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.955 -11.799 3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.548 -13.278 3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.253 -11.660 4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.237 -12.137 1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.282 -10.718 2.081 1.00 0.00 H new ATOM 419 N PHE A 27 -1.960 -14.807 1.043 1.00 0.00 N ATOM 420 CA PHE A 27 -1.559 -16.162 0.723 1.00 0.00 C ATOM 421 C PHE A 27 -0.081 -16.255 0.980 1.00 0.00 C ATOM 422 O PHE A 27 0.618 -15.255 0.809 1.00 0.00 O ATOM 423 CB PHE A 27 -1.857 -16.539 -0.742 1.00 0.00 C ATOM 424 CG PHE A 27 -3.300 -16.835 -1.066 1.00 0.00 C ATOM 425 CD1 PHE A 27 -4.192 -15.821 -1.365 1.00 0.00 C ATOM 426 CD2 PHE A 27 -3.752 -18.144 -1.087 1.00 0.00 C ATOM 427 CE1 PHE A 27 -5.509 -16.109 -1.676 1.00 0.00 C ATOM 428 CE2 PHE A 27 -5.064 -18.437 -1.400 1.00 0.00 C ATOM 429 CZ PHE A 27 -5.943 -17.417 -1.695 1.00 0.00 C ATOM 0 H PHE A 27 -1.341 -14.110 0.630 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.127 -16.858 1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.521 -15.723 -1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.260 -17.414 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.857 -14.794 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.068 -18.947 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.197 -15.309 -1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.401 -19.463 -1.414 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.970 -17.642 -1.941 1.00 0.00 H new ATOM 439 N ARG A 28 0.390 -17.403 1.435 1.00 0.00 N ATOM 440 CA ARG A 28 1.809 -17.586 1.755 1.00 0.00 C ATOM 441 C ARG A 28 2.684 -17.237 0.557 1.00 0.00 C ATOM 442 O ARG A 28 2.567 -17.870 -0.509 1.00 0.00 O ATOM 443 CB ARG A 28 2.100 -19.020 2.179 1.00 0.00 C ATOM 444 CG ARG A 28 1.291 -19.505 3.364 1.00 0.00 C ATOM 445 CD ARG A 28 1.694 -20.914 3.746 1.00 0.00 C ATOM 446 NE ARG A 28 1.601 -21.845 2.614 1.00 0.00 N ATOM 447 CZ ARG A 28 2.101 -23.085 2.600 1.00 0.00 C ATOM 448 NH1 ARG A 28 2.670 -23.602 3.688 1.00 0.00 N ATOM 449 NH2 ARG A 28 2.022 -23.803 1.501 1.00 0.00 N ATOM 0 H ARG A 28 -0.186 -18.230 1.594 1.00 0.00 H new ATOM 0 HA ARG A 28 2.040 -16.916 2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.911 -19.680 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.160 -19.106 2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.441 -18.836 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.229 -19.478 3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.716 -20.907 4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.055 -21.265 4.556 1.00 0.00 H new ATOM 0 HE ARG A 28 1.119 -21.521 1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.728 -23.051 4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.048 -24.549 3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.582 -23.413 0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.401 -24.750 1.482 1.00 0.00 H new ATOM 463 N ASN A 29 3.514 -16.206 0.736 1.00 0.00 N ATOM 464 CA ASN A 29 4.451 -15.682 -0.276 1.00 0.00 C ATOM 465 C ASN A 29 3.804 -14.757 -1.276 1.00 0.00 C ATOM 466 O ASN A 29 4.493 -14.171 -2.118 1.00 0.00 O ATOM 467 CB ASN A 29 5.292 -16.760 -0.975 1.00 0.00 C ATOM 468 CG ASN A 29 6.396 -17.312 -0.105 1.00 0.00 C ATOM 469 OD1 ASN A 29 6.207 -18.286 0.626 1.00 0.00 O ATOM 470 ND2 ASN A 29 7.554 -16.708 -0.172 1.00 0.00 N ATOM 0 H ASN A 29 3.558 -15.692 1.616 1.00 0.00 H new ATOM 0 HA ASN A 29 5.149 -15.082 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.640 -17.577 -1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.728 -16.340 -1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.336 -17.041 0.392 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.675 -15.904 -0.788 1.00 0.00 H new ATOM 477 N LEU A 30 2.501 -14.581 -1.180 1.00 0.00 N ATOM 478 CA LEU A 30 1.819 -13.668 -2.058 1.00 0.00 C ATOM 479 C LEU A 30 1.877 -12.313 -1.393 1.00 0.00 C ATOM 480 O LEU A 30 0.994 -11.929 -0.621 1.00 0.00 O ATOM 481 CB LEU A 30 0.355 -14.125 -2.345 1.00 0.00 C ATOM 482 CG LEU A 30 -0.409 -13.475 -3.546 1.00 0.00 C ATOM 483 CD1 LEU A 30 -1.729 -14.188 -3.772 1.00 0.00 C ATOM 484 CD2 LEU A 30 -0.680 -11.985 -3.341 1.00 0.00 C ATOM 0 H LEU A 30 1.902 -15.057 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 30 2.299 -13.634 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.370 -15.203 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.231 -13.946 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 30 0.238 -13.579 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.252 -13.728 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.542 -15.239 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.343 -14.111 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.212 -11.590 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.287 -11.845 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.266 -11.456 -3.224 1.00 0.00 H new ATOM 496 N LYS A 31 2.958 -11.645 -1.619 1.00 0.00 N ATOM 497 CA LYS A 31 3.194 -10.368 -1.053 1.00 0.00 C ATOM 498 C LYS A 31 3.050 -9.296 -2.096 1.00 0.00 C ATOM 499 O LYS A 31 4.000 -8.946 -2.810 1.00 0.00 O ATOM 500 CB LYS A 31 4.559 -10.321 -0.328 1.00 0.00 C ATOM 501 CG LYS A 31 5.740 -10.853 -1.142 1.00 0.00 C ATOM 502 CD LYS A 31 7.021 -10.858 -0.326 1.00 0.00 C ATOM 503 CE LYS A 31 8.184 -11.420 -1.126 1.00 0.00 C ATOM 504 NZ LYS A 31 9.424 -11.460 -0.332 1.00 0.00 N ATOM 0 H LYS A 31 3.714 -11.982 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 31 2.438 -10.176 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.768 -9.290 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.484 -10.897 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.521 -11.865 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.876 -10.238 -2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.254 -9.843 -0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.877 -11.452 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.938 -12.426 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.341 -10.811 -2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.195 -11.849 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.672 -10.497 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.282 -12.062 0.504 1.00 0.00 H new ATOM 518 N LEU A 32 1.846 -8.836 -2.259 1.00 0.00 N ATOM 519 CA LEU A 32 1.591 -7.777 -3.165 1.00 0.00 C ATOM 520 C LEU A 32 1.872 -6.489 -2.457 1.00 0.00 C ATOM 521 O LEU A 32 1.130 -6.084 -1.559 1.00 0.00 O ATOM 522 CB LEU A 32 0.148 -7.822 -3.695 1.00 0.00 C ATOM 523 CG LEU A 32 -0.272 -6.666 -4.623 1.00 0.00 C ATOM 524 CD1 LEU A 32 0.631 -6.583 -5.842 1.00 0.00 C ATOM 525 CD2 LEU A 32 -1.720 -6.822 -5.050 1.00 0.00 C ATOM 0 H LEU A 32 1.024 -9.187 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 32 2.239 -7.872 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.009 -8.760 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.530 -7.840 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.171 -5.737 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.309 -5.758 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.659 -6.415 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.573 -7.516 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.997 -5.996 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.843 -7.765 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.362 -6.818 -4.169 1.00 0.00 H new ATOM 537 N ILE A 33 2.962 -5.891 -2.811 1.00 0.00 N ATOM 538 CA ILE A 33 3.360 -4.656 -2.234 1.00 0.00 C ATOM 539 C ILE A 33 3.101 -3.542 -3.199 1.00 0.00 C ATOM 540 O ILE A 33 3.811 -3.368 -4.199 1.00 0.00 O ATOM 541 CB ILE A 33 4.851 -4.672 -1.758 1.00 0.00 C ATOM 542 CG1 ILE A 33 5.016 -5.627 -0.568 1.00 0.00 C ATOM 543 CG2 ILE A 33 5.362 -3.272 -1.393 1.00 0.00 C ATOM 544 CD1 ILE A 33 4.192 -5.231 0.649 1.00 0.00 C ATOM 0 H ILE A 33 3.605 -6.252 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 33 2.761 -4.494 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 33 5.454 -5.026 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.731 -6.633 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.068 -5.666 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.401 -3.337 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.294 -2.621 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.755 -2.862 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.358 -5.951 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.492 -4.238 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.135 -5.220 0.385 1.00 0.00 H new ATOM 556 N LEU A 34 2.027 -2.866 -2.957 1.00 0.00 N ATOM 557 CA LEU A 34 1.672 -1.699 -3.680 1.00 0.00 C ATOM 558 C LEU A 34 1.570 -0.564 -2.690 1.00 0.00 C ATOM 559 O LEU A 34 0.496 -0.067 -2.382 1.00 0.00 O ATOM 560 CB LEU A 34 0.360 -1.884 -4.454 1.00 0.00 C ATOM 561 CG LEU A 34 0.345 -2.921 -5.576 1.00 0.00 C ATOM 562 CD1 LEU A 34 -1.026 -2.993 -6.211 1.00 0.00 C ATOM 563 CD2 LEU A 34 1.392 -2.614 -6.626 1.00 0.00 C ATOM 0 H LEU A 34 1.357 -3.120 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 34 2.433 -1.482 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.418 -2.151 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.083 -0.921 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 34 0.583 -3.889 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.019 -3.736 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.761 -3.275 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.287 -2.019 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.354 -3.371 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.196 -1.633 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.380 -2.617 -6.166 1.00 0.00 H new ATOM 575 N GLN A 35 2.674 -0.257 -2.094 1.00 0.00 N ATOM 576 CA GLN A 35 2.752 0.829 -1.170 1.00 0.00 C ATOM 577 C GLN A 35 3.150 2.066 -1.944 1.00 0.00 C ATOM 578 O GLN A 35 4.199 2.099 -2.550 1.00 0.00 O ATOM 579 CB GLN A 35 3.777 0.527 -0.083 1.00 0.00 C ATOM 580 CG GLN A 35 3.464 -0.692 0.762 1.00 0.00 C ATOM 581 CD GLN A 35 4.531 -0.984 1.809 1.00 0.00 C ATOM 582 OE1 GLN A 35 4.764 -2.135 2.181 1.00 0.00 O ATOM 583 NE2 GLN A 35 5.176 0.033 2.295 1.00 0.00 N ATOM 0 H GLN A 35 3.553 -0.754 -2.234 1.00 0.00 H new ATOM 0 HA GLN A 35 1.789 0.983 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.752 0.388 -0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.859 1.395 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.506 -0.545 1.260 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.355 -1.560 0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.963 0.976 1.969 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.896 -0.111 3.003 1.00 0.00 H new ATOM 592 N GLY A 36 2.285 3.022 -2.007 1.00 0.00 N ATOM 593 CA GLY A 36 2.589 4.228 -2.723 1.00 0.00 C ATOM 594 C GLY A 36 1.968 5.421 -2.081 1.00 0.00 C ATOM 595 O GLY A 36 1.586 5.371 -0.914 1.00 0.00 O ATOM 0 H GLY A 36 1.362 2.998 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.670 4.361 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.234 4.141 -3.750 1.00 0.00 H new ATOM 599 N CYS A 37 1.851 6.478 -2.826 1.00 0.00 N ATOM 600 CA CYS A 37 1.152 7.652 -2.387 1.00 0.00 C ATOM 601 C CYS A 37 0.141 8.034 -3.448 1.00 0.00 C ATOM 602 O CYS A 37 0.378 7.832 -4.634 1.00 0.00 O ATOM 603 CB CYS A 37 2.104 8.811 -2.076 1.00 0.00 C ATOM 604 SG CYS A 37 3.251 8.507 -0.699 1.00 0.00 S ATOM 0 H CYS A 37 2.241 6.553 -3.765 1.00 0.00 H new ATOM 0 HA CYS A 37 0.638 7.430 -1.452 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.684 9.036 -2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.512 9.698 -1.848 1.00 0.00 H new ATOM 609 N SER A 38 -0.976 8.543 -3.039 1.00 0.00 N ATOM 610 CA SER A 38 -2.032 8.866 -3.944 1.00 0.00 C ATOM 611 C SER A 38 -2.568 10.244 -3.623 1.00 0.00 C ATOM 612 O SER A 38 -2.323 10.792 -2.535 1.00 0.00 O ATOM 613 CB SER A 38 -3.146 7.808 -3.845 1.00 0.00 C ATOM 614 OG SER A 38 -4.214 8.062 -4.741 1.00 0.00 O ATOM 0 H SER A 38 -1.183 8.748 -2.061 1.00 0.00 H new ATOM 0 HA SER A 38 -1.652 8.869 -4.966 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.727 6.823 -4.053 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.529 7.783 -2.825 1.00 0.00 H new ATOM 0 HG SER A 38 -4.896 7.365 -4.644 1.00 0.00 H new ATOM 620 N SER A 39 -3.260 10.807 -4.558 1.00 0.00 N ATOM 621 CA SER A 39 -3.860 12.080 -4.394 1.00 0.00 C ATOM 622 C SER A 39 -5.182 11.914 -3.648 1.00 0.00 C ATOM 623 O SER A 39 -5.661 12.843 -2.992 1.00 0.00 O ATOM 624 CB SER A 39 -4.078 12.726 -5.773 1.00 0.00 C ATOM 625 OG SER A 39 -4.471 14.089 -5.653 1.00 0.00 O ATOM 0 H SER A 39 -3.424 10.384 -5.471 1.00 0.00 H new ATOM 0 HA SER A 39 -3.210 12.733 -3.811 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.159 12.661 -6.356 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.842 12.172 -6.319 1.00 0.00 H new ATOM 0 HG SER A 39 -3.830 14.566 -5.086 1.00 0.00 H new ATOM 631 N SER A 40 -5.733 10.731 -3.712 1.00 0.00 N ATOM 632 CA SER A 40 -6.986 10.450 -3.096 1.00 0.00 C ATOM 633 C SER A 40 -6.919 9.145 -2.302 1.00 0.00 C ATOM 634 O SER A 40 -5.885 8.466 -2.280 1.00 0.00 O ATOM 635 CB SER A 40 -8.067 10.412 -4.178 1.00 0.00 C ATOM 636 OG SER A 40 -7.641 9.647 -5.299 1.00 0.00 O ATOM 0 H SER A 40 -5.317 9.936 -4.197 1.00 0.00 H new ATOM 0 HA SER A 40 -7.236 11.234 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.982 9.984 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.304 11.427 -4.495 1.00 0.00 H new ATOM 0 HG SER A 40 -8.350 9.636 -5.976 1.00 0.00 H new ATOM 642 N CYS A 41 -7.983 8.818 -1.634 1.00 0.00 N ATOM 643 CA CYS A 41 -8.060 7.604 -0.887 1.00 0.00 C ATOM 644 C CYS A 41 -9.059 6.668 -1.507 1.00 0.00 C ATOM 645 O CYS A 41 -10.251 6.989 -1.595 1.00 0.00 O ATOM 646 CB CYS A 41 -8.435 7.866 0.576 1.00 0.00 C ATOM 647 SG CYS A 41 -8.886 6.343 1.504 1.00 0.00 S ATOM 0 H CYS A 41 -8.826 9.391 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.072 7.144 -0.908 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.597 8.351 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.273 8.563 0.609 1.00 0.00 H new ATOM 652 N SER A 42 -8.579 5.549 -1.985 1.00 0.00 N ATOM 653 CA SER A 42 -9.434 4.509 -2.457 1.00 0.00 C ATOM 654 C SER A 42 -9.975 3.782 -1.214 1.00 0.00 C ATOM 655 O SER A 42 -9.267 2.959 -0.602 1.00 0.00 O ATOM 656 CB SER A 42 -8.630 3.576 -3.355 1.00 0.00 C ATOM 657 OG SER A 42 -7.927 4.335 -4.340 1.00 0.00 O ATOM 0 H SER A 42 -7.583 5.340 -2.055 1.00 0.00 H new ATOM 0 HA SER A 42 -10.267 4.891 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.925 2.999 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.295 2.862 -3.840 1.00 0.00 H new ATOM 0 HG SER A 42 -7.411 3.730 -4.913 1.00 0.00 H new ATOM 663 N GLU A 43 -11.183 4.171 -0.808 1.00 0.00 N ATOM 664 CA GLU A 43 -11.821 3.736 0.436 1.00 0.00 C ATOM 665 C GLU A 43 -12.086 2.248 0.506 1.00 0.00 C ATOM 666 O GLU A 43 -13.154 1.759 0.123 1.00 0.00 O ATOM 667 CB GLU A 43 -13.096 4.527 0.685 1.00 0.00 C ATOM 668 CG GLU A 43 -12.851 5.999 0.919 1.00 0.00 C ATOM 669 CD GLU A 43 -14.121 6.806 0.882 1.00 0.00 C ATOM 670 OE1 GLU A 43 -14.795 6.965 1.925 1.00 0.00 O ATOM 671 OE2 GLU A 43 -14.479 7.298 -0.199 1.00 0.00 O ATOM 0 H GLU A 43 -11.761 4.814 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.104 3.942 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.762 4.408 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.611 4.110 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.366 6.134 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.163 6.375 0.162 1.00 0.00 H new ATOM 678 N THR A 44 -11.102 1.548 0.956 1.00 0.00 N ATOM 679 CA THR A 44 -11.152 0.135 1.165 1.00 0.00 C ATOM 680 C THR A 44 -10.254 -0.164 2.340 1.00 0.00 C ATOM 681 O THR A 44 -9.452 0.693 2.726 1.00 0.00 O ATOM 682 CB THR A 44 -10.633 -0.652 -0.074 1.00 0.00 C ATOM 683 OG1 THR A 44 -9.363 -0.146 -0.459 1.00 0.00 O ATOM 684 CG2 THR A 44 -11.579 -0.577 -1.264 1.00 0.00 C ATOM 0 H THR A 44 -10.201 1.959 1.200 1.00 0.00 H new ATOM 0 HA THR A 44 -12.184 -0.170 1.340 1.00 0.00 H new ATOM 0 HB THR A 44 -10.563 -1.699 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.100 -0.540 -1.317 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.163 -1.145 -2.096 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.546 -0.996 -0.987 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.707 0.464 -1.562 1.00 0.00 H new ATOM 692 N GLU A 45 -10.383 -1.324 2.927 1.00 0.00 N ATOM 693 CA GLU A 45 -9.479 -1.703 3.996 1.00 0.00 C ATOM 694 C GLU A 45 -8.284 -2.427 3.408 1.00 0.00 C ATOM 695 O GLU A 45 -7.239 -2.572 4.051 1.00 0.00 O ATOM 696 CB GLU A 45 -10.183 -2.551 5.037 1.00 0.00 C ATOM 697 CG GLU A 45 -11.348 -1.839 5.687 1.00 0.00 C ATOM 698 CD GLU A 45 -12.027 -2.676 6.718 1.00 0.00 C ATOM 699 OE1 GLU A 45 -12.903 -3.485 6.356 1.00 0.00 O ATOM 700 OE2 GLU A 45 -11.713 -2.535 7.914 1.00 0.00 O ATOM 0 H GLU A 45 -11.092 -2.019 2.692 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.132 -0.803 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.540 -3.469 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.467 -2.842 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.994 -0.917 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.070 -1.556 4.921 1.00 0.00 H new ATOM 707 N ASN A 46 -8.453 -2.876 2.179 1.00 0.00 N ATOM 708 CA ASN A 46 -7.390 -3.513 1.420 1.00 0.00 C ATOM 709 C ASN A 46 -6.368 -2.469 0.986 1.00 0.00 C ATOM 710 O ASN A 46 -5.157 -2.681 1.091 1.00 0.00 O ATOM 711 CB ASN A 46 -7.972 -4.255 0.214 1.00 0.00 C ATOM 712 CG ASN A 46 -6.911 -4.786 -0.726 1.00 0.00 C ATOM 713 OD1 ASN A 46 -6.536 -4.117 -1.697 1.00 0.00 O ATOM 714 ND2 ASN A 46 -6.427 -5.972 -0.464 1.00 0.00 N ATOM 0 H ASN A 46 -9.337 -2.809 1.674 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.885 -4.245 2.050 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.585 -5.085 0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.631 -3.583 -0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.714 -6.377 -1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.763 -6.492 0.347 1.00 0.00 H new ATOM 721 N ASN A 47 -6.862 -1.343 0.507 1.00 0.00 N ATOM 722 CA ASN A 47 -6.027 -0.231 0.173 1.00 0.00 C ATOM 723 C ASN A 47 -6.080 0.732 1.314 1.00 0.00 C ATOM 724 O ASN A 47 -7.016 1.526 1.450 1.00 0.00 O ATOM 725 CB ASN A 47 -6.474 0.422 -1.126 1.00 0.00 C ATOM 726 CG ASN A 47 -5.688 1.660 -1.488 1.00 0.00 C ATOM 727 OD1 ASN A 47 -4.650 1.577 -2.133 1.00 0.00 O ATOM 728 ND2 ASN A 47 -6.200 2.806 -1.125 1.00 0.00 N ATOM 0 H ASN A 47 -7.856 -1.185 0.342 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.002 -0.564 0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.386 -0.303 -1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.529 0.683 -1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.733 3.677 -1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.067 2.830 -0.588 1.00 0.00 H new ATOM 735 N LYS A 48 -5.123 0.609 2.154 1.00 0.00 N ATOM 736 CA LYS A 48 -5.058 1.375 3.363 1.00 0.00 C ATOM 737 C LYS A 48 -4.511 2.753 3.081 1.00 0.00 C ATOM 738 O LYS A 48 -3.342 2.894 2.731 1.00 0.00 O ATOM 739 CB LYS A 48 -4.183 0.643 4.379 1.00 0.00 C ATOM 740 CG LYS A 48 -4.677 -0.744 4.704 1.00 0.00 C ATOM 741 CD LYS A 48 -3.833 -1.401 5.773 1.00 0.00 C ATOM 742 CE LYS A 48 -4.256 -2.842 5.995 1.00 0.00 C ATOM 743 NZ LYS A 48 -5.698 -2.969 6.318 1.00 0.00 N ATOM 0 H LYS A 48 -4.343 -0.036 2.029 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.061 1.489 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.166 0.577 3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.137 1.229 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.713 -0.692 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.663 -1.356 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.783 -1.368 5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.924 -0.844 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.035 -3.424 5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.667 -3.269 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.848 -3.808 6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.016 -2.120 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.243 -3.068 5.438 1.00 0.00 H new ATOM 757 N CYS A 49 -5.348 3.752 3.192 1.00 0.00 N ATOM 758 CA CYS A 49 -4.910 5.102 2.964 1.00 0.00 C ATOM 759 C CYS A 49 -4.655 5.771 4.298 1.00 0.00 C ATOM 760 O CYS A 49 -5.435 5.618 5.247 1.00 0.00 O ATOM 761 CB CYS A 49 -5.931 5.904 2.145 1.00 0.00 C ATOM 762 SG CYS A 49 -7.527 6.187 2.991 1.00 0.00 S ATOM 0 H CYS A 49 -6.333 3.656 3.438 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.989 5.073 2.382 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.494 6.869 1.888 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.119 5.380 1.208 1.00 0.00 H new ATOM 767 N CYS A 50 -3.556 6.426 4.392 1.00 0.00 N ATOM 768 CA CYS A 50 -3.163 7.123 5.573 1.00 0.00 C ATOM 769 C CYS A 50 -2.523 8.436 5.155 1.00 0.00 C ATOM 770 O CYS A 50 -2.077 8.563 4.023 1.00 0.00 O ATOM 771 CB CYS A 50 -2.178 6.259 6.339 1.00 0.00 C ATOM 772 SG CYS A 50 -0.739 5.771 5.342 1.00 0.00 S ATOM 0 H CYS A 50 -2.882 6.497 3.630 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.018 7.331 6.216 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.836 6.802 7.220 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.688 5.363 6.694 1.00 0.00 H new ATOM 777 N SER A 51 -2.514 9.411 6.003 1.00 0.00 N ATOM 778 CA SER A 51 -1.891 10.651 5.672 1.00 0.00 C ATOM 779 C SER A 51 -0.972 11.136 6.794 1.00 0.00 C ATOM 780 O SER A 51 -1.294 12.077 7.527 1.00 0.00 O ATOM 781 CB SER A 51 -2.950 11.687 5.289 1.00 0.00 C ATOM 782 OG SER A 51 -3.978 11.742 6.271 1.00 0.00 O ATOM 0 H SER A 51 -2.932 9.373 6.933 1.00 0.00 H new ATOM 0 HA SER A 51 -1.250 10.499 4.803 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.486 12.668 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.379 11.434 4.320 1.00 0.00 H new ATOM 0 HG SER A 51 -3.578 11.862 7.157 1.00 0.00 H new ATOM 788 N THR A 52 0.113 10.421 7.007 1.00 0.00 N ATOM 789 CA THR A 52 1.113 10.789 7.989 1.00 0.00 C ATOM 790 C THR A 52 2.465 10.292 7.473 1.00 0.00 C ATOM 791 O THR A 52 2.501 9.379 6.642 1.00 0.00 O ATOM 792 CB THR A 52 0.803 10.154 9.371 1.00 0.00 C ATOM 793 OG1 THR A 52 -0.590 10.338 9.678 1.00 0.00 O ATOM 794 CG2 THR A 52 1.618 10.818 10.476 1.00 0.00 C ATOM 0 H THR A 52 0.328 9.562 6.500 1.00 0.00 H new ATOM 0 HA THR A 52 1.120 11.870 8.125 1.00 0.00 H new ATOM 0 HB THR A 52 1.058 9.096 9.319 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.789 9.936 10.550 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.380 10.353 11.433 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.681 10.696 10.267 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.376 11.880 10.519 1.00 0.00 H new ATOM 802 N ASP A 53 3.546 10.888 7.923 1.00 0.00 N ATOM 803 CA ASP A 53 4.880 10.490 7.467 1.00 0.00 C ATOM 804 C ASP A 53 5.138 9.059 7.849 1.00 0.00 C ATOM 805 O ASP A 53 4.945 8.683 9.007 1.00 0.00 O ATOM 806 CB ASP A 53 6.000 11.368 8.054 1.00 0.00 C ATOM 807 CG ASP A 53 5.937 12.813 7.646 1.00 0.00 C ATOM 808 OD1 ASP A 53 6.495 13.171 6.600 1.00 0.00 O ATOM 809 OD2 ASP A 53 5.376 13.638 8.392 1.00 0.00 O ATOM 0 H ASP A 53 3.539 11.649 8.602 1.00 0.00 H new ATOM 0 HA ASP A 53 4.893 10.616 6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.959 11.308 9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.963 10.959 7.749 1.00 0.00 H new ATOM 814 N ARG A 54 5.535 8.262 6.866 1.00 0.00 N ATOM 815 CA ARG A 54 5.849 6.844 7.042 1.00 0.00 C ATOM 816 C ARG A 54 4.655 6.022 7.522 1.00 0.00 C ATOM 817 O ARG A 54 4.847 4.969 8.126 1.00 0.00 O ATOM 818 CB ARG A 54 6.996 6.633 8.035 1.00 0.00 C ATOM 819 CG ARG A 54 8.333 7.142 7.635 1.00 0.00 C ATOM 820 CD ARG A 54 9.318 6.723 8.695 1.00 0.00 C ATOM 821 NE ARG A 54 10.672 7.074 8.360 1.00 0.00 N ATOM 822 CZ ARG A 54 11.750 6.361 8.718 1.00 0.00 C ATOM 823 NH1 ARG A 54 11.601 5.202 9.364 1.00 0.00 N ATOM 824 NH2 ARG A 54 12.971 6.795 8.415 1.00 0.00 N ATOM 0 H ARG A 54 5.651 8.585 5.906 1.00 0.00 H new ATOM 0 HA ARG A 54 6.141 6.499 6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.721 7.107 8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.084 5.564 8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.621 6.739 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.315 8.227 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.049 7.191 9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.252 5.645 8.842 1.00 0.00 H new ATOM 0 HE ARG A 54 10.822 7.922 7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.667 4.858 9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.422 4.660 9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.089 7.673 7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.789 6.250 8.689 1.00 0.00 H new ATOM 838 N CYS A 55 3.451 6.456 7.236 1.00 0.00 N ATOM 839 CA CYS A 55 2.276 5.736 7.714 1.00 0.00 C ATOM 840 C CYS A 55 2.059 4.409 6.979 1.00 0.00 C ATOM 841 O CYS A 55 1.532 3.447 7.548 1.00 0.00 O ATOM 842 CB CYS A 55 1.039 6.602 7.606 1.00 0.00 C ATOM 843 SG CYS A 55 0.658 7.112 5.905 1.00 0.00 S ATOM 0 H CYS A 55 3.251 7.290 6.684 1.00 0.00 H new ATOM 0 HA CYS A 55 2.459 5.498 8.762 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.187 6.057 8.013 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.173 7.491 8.222 1.00 0.00 H new ATOM 848 N ASN A 56 2.493 4.333 5.734 1.00 0.00 N ATOM 849 CA ASN A 56 2.266 3.137 4.945 1.00 0.00 C ATOM 850 C ASN A 56 3.374 2.104 5.165 1.00 0.00 C ATOM 851 O ASN A 56 4.192 1.824 4.302 1.00 0.00 O ATOM 852 CB ASN A 56 2.019 3.456 3.442 1.00 0.00 C ATOM 853 CG ASN A 56 3.229 3.996 2.684 1.00 0.00 C ATOM 854 OD1 ASN A 56 4.147 4.600 3.261 1.00 0.00 O ATOM 855 ND2 ASN A 56 3.212 3.832 1.384 1.00 0.00 N ATOM 0 H ASN A 56 2.999 5.076 5.252 1.00 0.00 H new ATOM 0 HA ASN A 56 1.342 2.683 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.676 2.548 2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.211 4.184 3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.970 4.206 0.813 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.441 3.330 0.943 1.00 0.00 H new ATOM 862 N LYS A 57 3.423 1.599 6.358 1.00 0.00 N ATOM 863 CA LYS A 57 4.385 0.611 6.738 1.00 0.00 C ATOM 864 C LYS A 57 3.671 -0.584 7.314 1.00 0.00 C ATOM 865 O LYS A 57 2.755 -0.381 8.154 1.00 0.00 O ATOM 866 CB LYS A 57 5.438 1.174 7.716 1.00 0.00 C ATOM 867 CG LYS A 57 4.893 1.811 8.993 1.00 0.00 C ATOM 868 CD LYS A 57 6.033 2.239 9.910 1.00 0.00 C ATOM 869 CE LYS A 57 5.532 2.945 11.167 1.00 0.00 C ATOM 870 NZ LYS A 57 4.925 4.257 10.875 1.00 0.00 N ATOM 871 OXT LYS A 57 4.020 -1.733 6.965 1.00 0.00 O ATOM 0 H LYS A 57 2.785 1.866 7.108 1.00 0.00 H new ATOM 0 HA LYS A 57 4.935 0.300 5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.113 0.366 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.034 1.918 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.278 2.675 8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.248 1.102 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.615 1.363 10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.704 2.904 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.799 2.312 11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.363 3.079 11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.470 5.005 11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.932 4.422 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.944 4.270 11.221 1.00 0.00 H new