USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 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 71 ASN : amide:sc= -3.14! K(o=-5.9!,f=-2.2) USER MOD Set 1.2: A 93 ASN : amide:sc= -2.79 K(o=-5.9,f=-10!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.39) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00099 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 98:sc= 0.025 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 160:sc= 0.219 USER MOD Single : A 37 LYS NZ :NH3+ -124:sc= 0.0334 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00449 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.89 K(o=-2.9,f=-7.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-3.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -3.88! K(o=-3.9!,f=-1.9) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -170:sc= -0.456 USER MOD Single : A 85 THR OG1 : rot -112:sc= 0.0943 USER MOD Single : A 90 MET CE :methyl -149:sc= -0.737 (180deg=-2.51!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -4.334 13.590 4.967 1.00 0.00 N ATOM 91 CA VAL A 7 -4.846 12.543 4.100 1.00 0.00 C ATOM 92 C VAL A 7 -4.150 11.223 4.435 1.00 0.00 C ATOM 93 O VAL A 7 -2.957 11.205 4.734 1.00 0.00 O ATOM 94 CB VAL A 7 -4.682 12.951 2.634 1.00 0.00 C ATOM 95 CG1 VAL A 7 -5.053 11.798 1.700 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.505 14.201 2.317 1.00 0.00 C ATOM 0 HA VAL A 7 -5.914 12.398 4.266 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.632 13.192 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.928 12.114 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.405 10.945 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.091 11.512 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.370 14.469 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.559 14.001 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.172 15.025 2.948 1.00 0.00 H new ATOM 106 N ASP A 8 -4.925 10.150 4.374 1.00 0.00 N ATOM 107 CA ASP A 8 -4.397 8.828 4.667 1.00 0.00 C ATOM 108 C ASP A 8 -5.020 7.811 3.709 1.00 0.00 C ATOM 109 O ASP A 8 -6.240 7.661 3.664 1.00 0.00 O ATOM 110 CB ASP A 8 -4.740 8.403 6.096 1.00 0.00 C ATOM 111 CG ASP A 8 -3.879 7.269 6.658 1.00 0.00 C ATOM 112 OD1 ASP A 8 -3.747 6.251 5.945 1.00 0.00 O ATOM 113 OD2 ASP A 8 -3.374 7.446 7.787 1.00 0.00 O ATOM 0 H ASP A 8 -5.914 10.169 4.126 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.314 8.864 4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.644 9.270 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.785 8.095 6.126 1.00 0.00 H new ATOM 118 N CYS A 9 -4.154 7.137 2.966 1.00 0.00 N ATOM 119 CA CYS A 9 -4.604 6.138 2.012 1.00 0.00 C ATOM 120 C CYS A 9 -5.628 5.238 2.706 1.00 0.00 C ATOM 121 O CYS A 9 -6.825 5.334 2.442 1.00 0.00 O ATOM 122 CB CYS A 9 -3.434 5.337 1.438 1.00 0.00 C ATOM 123 SG CYS A 9 -1.976 6.337 0.967 1.00 0.00 S ATOM 0 H CYS A 9 -3.143 7.263 3.006 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.074 6.630 1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.125 4.594 2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.781 4.791 0.561 1.00 0.00 H new ATOM 128 N LYS A 10 -5.119 4.383 3.581 1.00 0.00 N ATOM 129 CA LYS A 10 -5.973 3.465 4.315 1.00 0.00 C ATOM 130 C LYS A 10 -7.083 2.959 3.391 1.00 0.00 C ATOM 131 O LYS A 10 -6.834 2.142 2.506 1.00 0.00 O ATOM 132 CB LYS A 10 -6.492 4.124 5.595 1.00 0.00 C ATOM 133 CG LYS A 10 -7.370 3.157 6.392 1.00 0.00 C ATOM 134 CD LYS A 10 -6.520 2.254 7.288 1.00 0.00 C ATOM 135 CE LYS A 10 -7.136 2.128 8.682 1.00 0.00 C ATOM 136 NZ LYS A 10 -6.496 3.078 9.620 1.00 0.00 N ATOM 0 H LYS A 10 -4.125 4.307 3.798 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.405 2.593 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.651 4.447 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.064 5.017 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.076 3.720 7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.958 2.546 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.431 1.266 6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.512 2.660 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.207 2.324 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.015 1.109 9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.926 2.979 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.478 2.873 9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.633 4.050 9.277 1.00 0.00 H new ATOM 150 N GLY A 11 -8.284 3.466 3.629 1.00 0.00 N ATOM 151 CA GLY A 11 -9.433 3.075 2.829 1.00 0.00 C ATOM 152 C GLY A 11 -9.091 3.085 1.338 1.00 0.00 C ATOM 153 O GLY A 11 -9.275 2.083 0.649 1.00 0.00 O ATOM 0 H GLY A 11 -8.486 4.144 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.764 2.079 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.263 3.756 3.020 1.00 0.00 H new ATOM 157 N GLN A 12 -8.600 4.229 0.883 1.00 0.00 N ATOM 158 CA GLN A 12 -8.231 4.382 -0.514 1.00 0.00 C ATOM 159 C GLN A 12 -7.481 3.143 -1.004 1.00 0.00 C ATOM 160 O GLN A 12 -7.504 2.828 -2.193 1.00 0.00 O ATOM 161 CB GLN A 12 -7.398 5.648 -0.725 1.00 0.00 C ATOM 162 CG GLN A 12 -8.245 6.904 -0.517 1.00 0.00 C ATOM 163 CD GLN A 12 -7.525 7.910 0.383 1.00 0.00 C ATOM 164 OE1 GLN A 12 -6.692 8.687 -0.053 1.00 0.00 O ATOM 165 NE2 GLN A 12 -7.890 7.851 1.661 1.00 0.00 N ATOM 0 H GLN A 12 -8.449 5.058 1.457 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.143 4.485 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.557 5.654 -0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.981 5.649 -1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.462 7.364 -1.481 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.202 6.632 -0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.594 7.176 1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.466 8.481 2.342 1.00 0.00 H new ATOM 174 N CYS A 13 -6.832 2.472 -0.063 1.00 0.00 N ATOM 175 CA CYS A 13 -6.076 1.274 -0.384 1.00 0.00 C ATOM 176 C CYS A 13 -6.876 0.059 0.091 1.00 0.00 C ATOM 177 O CYS A 13 -6.354 -0.789 0.813 1.00 0.00 O ATOM 178 CB CYS A 13 -4.674 1.308 0.228 1.00 0.00 C ATOM 179 SG CYS A 13 -3.480 2.382 -0.649 1.00 0.00 S ATOM 0 H CYS A 13 -6.815 2.736 0.922 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.929 1.213 -1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.752 1.644 1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.278 0.293 0.252 1.00 0.00 H new ATOM 184 N THR A 14 -8.130 0.013 -0.335 1.00 0.00 N ATOM 185 CA THR A 14 -9.007 -1.084 0.037 1.00 0.00 C ATOM 186 C THR A 14 -9.305 -1.965 -1.178 1.00 0.00 C ATOM 187 O THR A 14 -9.403 -3.185 -1.055 1.00 0.00 O ATOM 188 CB THR A 14 -10.262 -0.488 0.678 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.881 -0.245 2.029 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.401 -1.504 0.790 1.00 0.00 C ATOM 0 H THR A 14 -8.559 0.718 -0.934 1.00 0.00 H new ATOM 0 HA THR A 14 -8.532 -1.741 0.766 1.00 0.00 H new ATOM 0 HB THR A 14 -10.595 0.369 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.637 0.144 2.517 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.267 -1.030 1.251 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.669 -1.861 -0.204 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.079 -2.346 1.403 1.00 0.00 H new ATOM 198 N THR A 15 -9.440 -1.312 -2.323 1.00 0.00 N ATOM 199 CA THR A 15 -9.724 -2.021 -3.559 1.00 0.00 C ATOM 200 C THR A 15 -8.486 -2.786 -4.032 1.00 0.00 C ATOM 201 O THR A 15 -8.575 -3.963 -4.380 1.00 0.00 O ATOM 202 CB THR A 15 -10.236 -1.004 -4.580 1.00 0.00 C ATOM 203 OG1 THR A 15 -11.649 -1.190 -4.578 1.00 0.00 O ATOM 204 CG2 THR A 15 -9.817 -1.349 -6.011 1.00 0.00 C ATOM 0 H THR A 15 -9.358 -0.300 -2.421 1.00 0.00 H new ATOM 0 HA THR A 15 -10.497 -2.775 -3.413 1.00 0.00 H new ATOM 0 HB THR A 15 -9.864 -0.012 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.062 -0.568 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.206 -0.596 -6.696 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.729 -1.371 -6.076 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.217 -2.326 -6.282 1.00 0.00 H new ATOM 212 N PRO A 16 -7.331 -2.069 -4.028 1.00 0.00 N ATOM 213 CA PRO A 16 -6.077 -2.668 -4.452 1.00 0.00 C ATOM 214 C PRO A 16 -5.532 -3.616 -3.381 1.00 0.00 C ATOM 215 O PRO A 16 -4.649 -4.427 -3.656 1.00 0.00 O ATOM 216 CB PRO A 16 -5.154 -1.493 -4.730 1.00 0.00 C ATOM 217 CG PRO A 16 -5.767 -0.302 -4.011 1.00 0.00 C ATOM 218 CD PRO A 16 -7.188 -0.674 -3.622 1.00 0.00 C ATOM 0 HA PRO A 16 -6.187 -3.290 -5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.146 -1.693 -4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.074 -1.304 -5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.183 -0.048 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.765 0.576 -4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.349 -0.555 -2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.916 -0.038 -4.126 1.00 0.00 H new ATOM 226 N CYS A 17 -6.081 -3.482 -2.183 1.00 0.00 N ATOM 227 CA CYS A 17 -5.662 -4.316 -1.070 1.00 0.00 C ATOM 228 C CYS A 17 -6.857 -5.163 -0.627 1.00 0.00 C ATOM 229 O CYS A 17 -6.821 -5.788 0.432 1.00 0.00 O ATOM 230 CB CYS A 17 -5.096 -3.482 0.081 1.00 0.00 C ATOM 231 SG CYS A 17 -3.912 -2.181 -0.424 1.00 0.00 S ATOM 0 H CYS A 17 -6.813 -2.808 -1.959 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.852 -4.971 -1.389 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.924 -3.013 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.601 -4.150 0.786 1.00 0.00 H new ATOM 236 N GLU A 18 -7.887 -5.156 -1.460 1.00 0.00 N ATOM 237 CA GLU A 18 -9.091 -5.916 -1.168 1.00 0.00 C ATOM 238 C GLU A 18 -8.784 -7.415 -1.164 1.00 0.00 C ATOM 239 O GLU A 18 -9.111 -8.116 -0.208 1.00 0.00 O ATOM 240 CB GLU A 18 -10.203 -5.587 -2.166 1.00 0.00 C ATOM 241 CG GLU A 18 -11.500 -5.223 -1.440 1.00 0.00 C ATOM 242 CD GLU A 18 -12.721 -5.723 -2.216 1.00 0.00 C ATOM 243 OE1 GLU A 18 -12.750 -6.938 -2.505 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.596 -4.878 -2.502 1.00 0.00 O ATOM 0 H GLU A 18 -7.913 -4.636 -2.337 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.443 -5.634 -0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.893 -4.758 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.375 -6.442 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.496 -5.658 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.561 -4.142 -1.316 1.00 0.00 H new ATOM 251 N PRO A 19 -8.144 -7.874 -2.272 1.00 0.00 N ATOM 252 CA PRO A 19 -7.789 -9.277 -2.405 1.00 0.00 C ATOM 253 C PRO A 19 -6.588 -9.625 -1.524 1.00 0.00 C ATOM 254 O PRO A 19 -6.559 -10.683 -0.897 1.00 0.00 O ATOM 255 CB PRO A 19 -7.516 -9.475 -3.887 1.00 0.00 C ATOM 256 CG PRO A 19 -7.274 -8.086 -4.455 1.00 0.00 C ATOM 257 CD PRO A 19 -7.741 -7.072 -3.424 1.00 0.00 C ATOM 0 HA PRO A 19 -8.581 -9.945 -2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.649 -10.117 -4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.361 -9.956 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.217 -7.944 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.817 -7.956 -5.391 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.943 -6.377 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.572 -6.477 -3.802 1.00 0.00 H new ATOM 265 N LEU A 20 -5.625 -8.714 -1.504 1.00 0.00 N ATOM 266 CA LEU A 20 -4.425 -8.912 -0.710 1.00 0.00 C ATOM 267 C LEU A 20 -4.819 -9.231 0.733 1.00 0.00 C ATOM 268 O LEU A 20 -4.406 -10.251 1.282 1.00 0.00 O ATOM 269 CB LEU A 20 -3.492 -7.706 -0.841 1.00 0.00 C ATOM 270 CG LEU A 20 -2.615 -7.401 0.376 1.00 0.00 C ATOM 271 CD1 LEU A 20 -1.503 -8.441 0.524 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.063 -5.976 0.310 1.00 0.00 C ATOM 0 H LEU A 20 -5.652 -7.838 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.859 -9.766 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.842 -7.866 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.097 -6.826 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.236 -7.464 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.894 -8.201 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.944 -9.430 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.877 -8.434 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.443 -5.785 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.462 -5.860 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.890 -5.266 0.288 1.00 0.00 H new ATOM 284 N THR A 21 -5.614 -8.339 1.306 1.00 0.00 N ATOM 285 CA THR A 21 -6.069 -8.513 2.675 1.00 0.00 C ATOM 286 C THR A 21 -6.726 -9.883 2.849 1.00 0.00 C ATOM 287 O THR A 21 -6.263 -10.702 3.642 1.00 0.00 O ATOM 288 CB THR A 21 -6.998 -7.346 3.017 1.00 0.00 C ATOM 289 OG1 THR A 21 -6.110 -6.285 3.363 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.801 -7.591 4.295 1.00 0.00 C ATOM 0 H THR A 21 -5.954 -7.494 0.847 1.00 0.00 H new ATOM 0 HA THR A 21 -5.233 -8.497 3.374 1.00 0.00 H new ATOM 0 HB THR A 21 -7.682 -7.172 2.187 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.987 -5.696 2.590 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.443 -6.733 4.491 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.415 -8.483 4.174 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.118 -7.732 5.133 1.00 0.00 H new ATOM 298 N ALA A 22 -7.796 -10.091 2.095 1.00 0.00 N ATOM 299 CA ALA A 22 -8.521 -11.348 2.155 1.00 0.00 C ATOM 300 C ALA A 22 -7.534 -12.509 2.016 1.00 0.00 C ATOM 301 O ALA A 22 -7.765 -13.592 2.552 1.00 0.00 O ATOM 302 CB ALA A 22 -9.601 -11.368 1.071 1.00 0.00 C ATOM 0 H ALA A 22 -8.178 -9.409 1.439 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.023 -11.455 3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.145 -12.312 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.294 -10.542 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.135 -11.265 0.091 1.00 0.00 H new ATOM 308 N CYS A 23 -6.456 -12.243 1.294 1.00 0.00 N ATOM 309 CA CYS A 23 -5.433 -13.252 1.078 1.00 0.00 C ATOM 310 C CYS A 23 -4.785 -13.576 2.426 1.00 0.00 C ATOM 311 O CYS A 23 -4.859 -14.710 2.898 1.00 0.00 O ATOM 312 CB CYS A 23 -4.401 -12.800 0.043 1.00 0.00 C ATOM 313 SG CYS A 23 -3.625 -14.155 -0.911 1.00 0.00 S ATOM 0 H CYS A 23 -6.268 -11.344 0.851 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.889 -14.153 0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.883 -12.114 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.618 -12.239 0.553 1.00 0.00 H new ATOM 318 N LYS A 24 -4.165 -12.560 3.008 1.00 0.00 N ATOM 319 CA LYS A 24 -3.505 -12.722 4.292 1.00 0.00 C ATOM 320 C LYS A 24 -4.504 -13.281 5.307 1.00 0.00 C ATOM 321 O LYS A 24 -4.196 -14.226 6.032 1.00 0.00 O ATOM 322 CB LYS A 24 -2.854 -11.409 4.729 1.00 0.00 C ATOM 323 CG LYS A 24 -1.371 -11.380 4.354 1.00 0.00 C ATOM 324 CD LYS A 24 -1.024 -10.104 3.585 1.00 0.00 C ATOM 325 CE LYS A 24 -0.420 -9.050 4.515 1.00 0.00 C ATOM 326 NZ LYS A 24 -1.438 -8.043 4.888 1.00 0.00 N ATOM 0 H LYS A 24 -4.106 -11.621 2.614 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.692 -13.444 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.368 -10.570 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.963 -11.286 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.763 -11.441 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.129 -12.252 3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.319 -10.337 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.921 -9.705 3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.029 -9.530 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.420 -8.561 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.011 -7.335 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.792 -7.573 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.227 -8.512 5.377 1.00 0.00 H new ATOM 340 N GLU A 25 -5.681 -12.673 5.327 1.00 0.00 N ATOM 341 CA GLU A 25 -6.727 -13.098 6.242 1.00 0.00 C ATOM 342 C GLU A 25 -6.983 -14.599 6.094 1.00 0.00 C ATOM 343 O GLU A 25 -6.729 -15.370 7.019 1.00 0.00 O ATOM 344 CB GLU A 25 -8.012 -12.298 6.015 1.00 0.00 C ATOM 345 CG GLU A 25 -8.407 -11.527 7.276 1.00 0.00 C ATOM 346 CD GLU A 25 -9.455 -12.296 8.083 1.00 0.00 C ATOM 347 OE1 GLU A 25 -9.252 -13.516 8.261 1.00 0.00 O ATOM 348 OE2 GLU A 25 -10.437 -11.646 8.504 1.00 0.00 O ATOM 0 H GLU A 25 -5.934 -11.890 4.724 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.392 -12.905 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.870 -11.602 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.819 -12.973 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.524 -11.353 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.801 -10.549 7.000 1.00 0.00 H new ATOM 355 N LYS A 26 -7.483 -14.970 4.925 1.00 0.00 N ATOM 356 CA LYS A 26 -7.776 -16.365 4.645 1.00 0.00 C ATOM 357 C LYS A 26 -6.674 -17.243 5.241 1.00 0.00 C ATOM 358 O LYS A 26 -6.957 -18.275 5.848 1.00 0.00 O ATOM 359 CB LYS A 26 -7.988 -16.578 3.144 1.00 0.00 C ATOM 360 CG LYS A 26 -8.901 -17.778 2.883 1.00 0.00 C ATOM 361 CD LYS A 26 -9.969 -17.437 1.843 1.00 0.00 C ATOM 362 CE LYS A 26 -10.992 -18.568 1.717 1.00 0.00 C ATOM 363 NZ LYS A 26 -11.485 -18.669 0.325 1.00 0.00 N ATOM 0 H LYS A 26 -7.693 -14.328 4.160 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.711 -16.660 5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.425 -15.682 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.026 -16.736 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.307 -18.623 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.379 -18.085 3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.475 -16.514 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.497 -17.259 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.538 -19.512 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.828 -18.387 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.178 -19.441 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.937 -17.773 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.687 -18.863 -0.313 1.00 0.00 H new ATOM 377 N CYS A 27 -5.440 -16.802 5.046 1.00 0.00 N ATOM 378 CA CYS A 27 -4.294 -17.535 5.557 1.00 0.00 C ATOM 379 C CYS A 27 -4.296 -17.426 7.083 1.00 0.00 C ATOM 380 O CYS A 27 -4.259 -18.438 7.781 1.00 0.00 O ATOM 381 CB CYS A 27 -2.983 -17.029 4.950 1.00 0.00 C ATOM 382 SG CYS A 27 -2.497 -17.844 3.386 1.00 0.00 S ATOM 0 H CYS A 27 -5.209 -15.946 4.541 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.371 -18.583 5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.071 -15.957 4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.184 -17.167 5.679 1.00 0.00 H new ATOM 387 N ALA A 28 -4.338 -16.189 7.556 1.00 0.00 N ATOM 388 CA ALA A 28 -4.345 -15.936 8.987 1.00 0.00 C ATOM 389 C ALA A 28 -5.306 -16.912 9.669 1.00 0.00 C ATOM 390 O ALA A 28 -4.990 -17.466 10.721 1.00 0.00 O ATOM 391 CB ALA A 28 -4.719 -14.474 9.245 1.00 0.00 C ATOM 0 H ALA A 28 -4.368 -15.352 6.974 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.354 -16.099 9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.724 -14.284 10.318 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.990 -13.822 8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.709 -14.274 8.836 1.00 0.00 H new ATOM 397 N GLU A 29 -6.459 -17.093 9.042 1.00 0.00 N ATOM 398 CA GLU A 29 -7.467 -17.993 9.576 1.00 0.00 C ATOM 399 C GLU A 29 -6.930 -19.425 9.621 1.00 0.00 C ATOM 400 O GLU A 29 -7.008 -20.088 10.653 1.00 0.00 O ATOM 401 CB GLU A 29 -8.758 -17.916 8.758 1.00 0.00 C ATOM 402 CG GLU A 29 -9.633 -16.750 9.222 1.00 0.00 C ATOM 403 CD GLU A 29 -10.072 -16.938 10.675 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.864 -17.875 10.912 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.605 -16.140 11.517 1.00 0.00 O ATOM 0 H GLU A 29 -6.718 -16.632 8.170 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.702 -17.682 10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.517 -17.796 7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.310 -18.851 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.081 -15.815 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.511 -16.672 8.580 1.00 0.00 H new ATOM 412 N SER A 30 -6.399 -19.859 8.488 1.00 0.00 N ATOM 413 CA SER A 30 -5.849 -21.200 8.385 1.00 0.00 C ATOM 414 C SER A 30 -4.680 -21.363 9.359 1.00 0.00 C ATOM 415 O SER A 30 -4.341 -22.481 9.745 1.00 0.00 O ATOM 416 CB SER A 30 -5.395 -21.501 6.955 1.00 0.00 C ATOM 417 OG SER A 30 -5.770 -22.812 6.540 1.00 0.00 O ATOM 0 H SER A 30 -6.338 -19.306 7.633 1.00 0.00 H new ATOM 0 HA SER A 30 -6.632 -21.912 8.646 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.829 -20.768 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.312 -21.396 6.889 1.00 0.00 H new ATOM 0 HG SER A 30 -5.464 -22.965 5.622 1.00 0.00 H new ATOM 423 N CYS A 31 -4.097 -20.232 9.727 1.00 0.00 N ATOM 424 CA CYS A 31 -2.974 -20.236 10.649 1.00 0.00 C ATOM 425 C CYS A 31 -3.333 -19.355 11.848 1.00 0.00 C ATOM 426 O CYS A 31 -2.740 -18.295 12.043 1.00 0.00 O ATOM 427 CB CYS A 31 -1.683 -19.775 9.969 1.00 0.00 C ATOM 428 SG CYS A 31 -0.696 -21.115 9.208 1.00 0.00 S ATOM 0 H CYS A 31 -4.381 -19.307 9.404 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.785 -21.254 10.991 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.935 -19.046 9.199 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.065 -19.261 10.705 1.00 0.00 H new ATOM 433 N GLU A 32 -4.302 -19.827 12.618 1.00 0.00 N ATOM 434 CA GLU A 32 -4.747 -19.096 13.793 1.00 0.00 C ATOM 435 C GLU A 32 -4.007 -19.590 15.037 1.00 0.00 C ATOM 436 O GLU A 32 -3.857 -18.851 16.009 1.00 0.00 O ATOM 437 CB GLU A 32 -6.261 -19.216 13.971 1.00 0.00 C ATOM 438 CG GLU A 32 -6.728 -20.655 13.745 1.00 0.00 C ATOM 439 CD GLU A 32 -8.146 -20.862 14.282 1.00 0.00 C ATOM 440 OE1 GLU A 32 -9.059 -20.200 13.744 1.00 0.00 O ATOM 441 OE2 GLU A 32 -8.284 -21.679 15.218 1.00 0.00 O ATOM 0 H GLU A 32 -4.792 -20.706 12.452 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.513 -18.041 13.651 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.539 -18.893 14.974 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.767 -18.552 13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.701 -20.887 12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.044 -21.345 14.239 1.00 0.00 H new ATOM 448 N THR A 33 -3.563 -20.836 14.968 1.00 0.00 N ATOM 449 CA THR A 33 -2.843 -21.438 16.077 1.00 0.00 C ATOM 450 C THR A 33 -1.673 -22.278 15.560 1.00 0.00 C ATOM 451 O THR A 33 -1.367 -23.331 16.118 1.00 0.00 O ATOM 452 CB THR A 33 -3.844 -22.238 16.912 1.00 0.00 C ATOM 453 OG1 THR A 33 -4.643 -22.913 15.944 1.00 0.00 O ATOM 454 CG2 THR A 33 -4.836 -21.341 17.655 1.00 0.00 C ATOM 0 H THR A 33 -3.688 -21.446 14.160 1.00 0.00 H new ATOM 0 HA THR A 33 -2.397 -20.678 16.719 1.00 0.00 H new ATOM 0 HB THR A 33 -3.305 -22.856 17.631 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.318 -23.458 16.400 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.524 -21.959 18.232 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.293 -20.677 18.328 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.399 -20.747 16.935 1.00 0.00 H new ATOM 462 N SER A 34 -1.052 -21.781 14.501 1.00 0.00 N ATOM 463 CA SER A 34 0.078 -22.473 13.903 1.00 0.00 C ATOM 464 C SER A 34 1.370 -22.083 14.622 1.00 0.00 C ATOM 465 O SER A 34 1.469 -20.992 15.183 1.00 0.00 O ATOM 466 CB SER A 34 0.186 -22.161 12.409 1.00 0.00 C ATOM 467 OG SER A 34 0.146 -23.342 11.613 1.00 0.00 O ATOM 0 H SER A 34 -1.309 -20.908 14.041 1.00 0.00 H new ATOM 0 HA SER A 34 -0.081 -23.546 14.012 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.629 -21.499 12.117 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.116 -21.625 12.217 1.00 0.00 H new ATOM 0 HG SER A 34 -0.101 -23.109 10.694 1.00 0.00 H new ATOM 473 N ALA A 35 2.330 -22.995 14.582 1.00 0.00 N ATOM 474 CA ALA A 35 3.613 -22.760 15.223 1.00 0.00 C ATOM 475 C ALA A 35 4.213 -21.457 14.691 1.00 0.00 C ATOM 476 O ALA A 35 4.327 -20.477 15.426 1.00 0.00 O ATOM 477 CB ALA A 35 4.529 -23.963 14.988 1.00 0.00 C ATOM 0 H ALA A 35 2.245 -23.898 14.116 1.00 0.00 H new ATOM 0 HA ALA A 35 3.490 -22.650 16.300 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.491 -23.787 15.469 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.071 -24.857 15.410 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.678 -24.103 13.917 1.00 0.00 H new ATOM 483 N ASP A 36 4.581 -21.488 13.419 1.00 0.00 N ATOM 484 CA ASP A 36 5.166 -20.322 12.780 1.00 0.00 C ATOM 485 C ASP A 36 4.068 -19.531 12.067 1.00 0.00 C ATOM 486 O ASP A 36 3.907 -19.642 10.852 1.00 0.00 O ATOM 487 CB ASP A 36 6.209 -20.730 11.737 1.00 0.00 C ATOM 488 CG ASP A 36 7.076 -21.929 12.124 1.00 0.00 C ATOM 489 OD1 ASP A 36 7.924 -21.749 13.025 1.00 0.00 O ATOM 490 OD2 ASP A 36 6.872 -22.999 11.511 1.00 0.00 O ATOM 0 H ASP A 36 4.485 -22.303 12.813 1.00 0.00 H new ATOM 0 HA ASP A 36 5.645 -19.720 13.552 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.696 -20.958 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.860 -19.877 11.543 1.00 0.00 H new ATOM 495 N LYS A 37 3.339 -18.751 12.852 1.00 0.00 N ATOM 496 CA LYS A 37 2.261 -17.942 12.311 1.00 0.00 C ATOM 497 C LYS A 37 2.844 -16.880 11.377 1.00 0.00 C ATOM 498 O LYS A 37 2.497 -16.826 10.198 1.00 0.00 O ATOM 499 CB LYS A 37 1.405 -17.365 13.440 1.00 0.00 C ATOM 500 CG LYS A 37 0.037 -16.920 12.919 1.00 0.00 C ATOM 501 CD LYS A 37 -0.627 -15.940 13.888 1.00 0.00 C ATOM 502 CE LYS A 37 -1.144 -16.664 15.132 1.00 0.00 C ATOM 503 NZ LYS A 37 -2.387 -16.029 15.623 1.00 0.00 N ATOM 0 H LYS A 37 3.474 -18.662 13.859 1.00 0.00 H new ATOM 0 HA LYS A 37 1.587 -18.557 11.714 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.274 -18.114 14.221 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.919 -16.517 13.894 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.151 -16.450 11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.604 -17.791 12.781 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.089 -15.172 14.181 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.453 -15.433 13.389 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.332 -17.712 14.898 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.385 -16.643 15.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.265 -15.749 16.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.596 -15.187 15.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.175 -16.704 15.547 1.00 0.00 H new ATOM 517 N LYS A 38 3.722 -16.062 11.939 1.00 0.00 N ATOM 518 CA LYS A 38 4.357 -15.004 11.171 1.00 0.00 C ATOM 519 C LYS A 38 4.837 -15.569 9.833 1.00 0.00 C ATOM 520 O LYS A 38 4.476 -15.057 8.774 1.00 0.00 O ATOM 521 CB LYS A 38 5.465 -14.339 11.990 1.00 0.00 C ATOM 522 CG LYS A 38 5.846 -12.981 11.397 1.00 0.00 C ATOM 523 CD LYS A 38 6.424 -12.056 12.470 1.00 0.00 C ATOM 524 CE LYS A 38 5.776 -10.672 12.408 1.00 0.00 C ATOM 525 NZ LYS A 38 5.650 -10.097 13.766 1.00 0.00 N ATOM 0 H LYS A 38 4.009 -16.110 12.917 1.00 0.00 H new ATOM 0 HA LYS A 38 3.640 -14.214 10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.133 -14.210 13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.341 -14.987 12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.577 -13.120 10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.968 -12.518 10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.264 -12.492 13.456 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.501 -11.963 12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.375 -10.011 11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.792 -10.745 11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.208 -9.157 13.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.060 -10.720 14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.593 -10.009 14.195 1.00 0.00 H new ATOM 539 N THR A 39 5.642 -16.617 9.924 1.00 0.00 N ATOM 540 CA THR A 39 6.175 -17.257 8.733 1.00 0.00 C ATOM 541 C THR A 39 5.036 -17.734 7.829 1.00 0.00 C ATOM 542 O THR A 39 4.967 -17.356 6.660 1.00 0.00 O ATOM 543 CB THR A 39 7.109 -18.384 9.179 1.00 0.00 C ATOM 544 OG1 THR A 39 8.024 -17.745 10.065 1.00 0.00 O ATOM 545 CG2 THR A 39 7.990 -18.899 8.040 1.00 0.00 C ATOM 0 H THR A 39 5.938 -17.039 10.804 1.00 0.00 H new ATOM 0 HA THR A 39 6.753 -16.555 8.132 1.00 0.00 H new ATOM 0 HB THR A 39 6.519 -19.207 9.581 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.666 -18.404 10.403 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.633 -19.697 8.410 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.360 -19.283 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.606 -18.084 7.659 1.00 0.00 H new ATOM 553 N CYS A 40 4.172 -18.556 8.404 1.00 0.00 N ATOM 554 CA CYS A 40 3.040 -19.089 7.665 1.00 0.00 C ATOM 555 C CYS A 40 2.426 -17.953 6.843 1.00 0.00 C ATOM 556 O CYS A 40 2.295 -18.065 5.625 1.00 0.00 O ATOM 557 CB CYS A 40 2.013 -19.740 8.594 1.00 0.00 C ATOM 558 SG CYS A 40 0.457 -20.252 7.779 1.00 0.00 S ATOM 0 H CYS A 40 4.233 -18.867 9.374 1.00 0.00 H new ATOM 0 HA CYS A 40 3.379 -19.880 6.996 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.468 -20.615 9.059 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.774 -19.041 9.395 1.00 0.00 H new ATOM 563 N ARG A 41 2.066 -16.887 7.542 1.00 0.00 N ATOM 564 CA ARG A 41 1.469 -15.733 6.892 1.00 0.00 C ATOM 565 C ARG A 41 2.429 -15.155 5.850 1.00 0.00 C ATOM 566 O ARG A 41 2.067 -15.003 4.684 1.00 0.00 O ATOM 567 CB ARG A 41 1.121 -14.646 7.911 1.00 0.00 C ATOM 568 CG ARG A 41 -0.055 -15.077 8.791 1.00 0.00 C ATOM 569 CD ARG A 41 -0.475 -13.948 9.735 1.00 0.00 C ATOM 570 NE ARG A 41 0.702 -13.444 10.476 1.00 0.00 N ATOM 571 CZ ARG A 41 0.684 -12.366 11.273 1.00 0.00 C ATOM 572 NH1 ARG A 41 -0.452 -11.673 11.435 1.00 0.00 N ATOM 573 NH2 ARG A 41 1.800 -11.982 11.906 1.00 0.00 N ATOM 0 H ARG A 41 2.176 -16.798 8.552 1.00 0.00 H new ATOM 0 HA ARG A 41 0.553 -16.065 6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.989 -14.436 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.871 -13.721 7.391 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.898 -15.363 8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.223 -15.957 9.371 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.931 -13.138 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.228 -14.309 10.435 1.00 0.00 H new ATOM 0 HE ARG A 41 1.583 -13.948 10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.301 -11.966 10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.467 -10.853 12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.664 -12.510 11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.786 -11.162 12.512 1.00 0.00 H new ATOM 587 N ARG A 42 3.635 -14.850 6.307 1.00 0.00 N ATOM 588 CA ARG A 42 4.649 -14.293 5.429 1.00 0.00 C ATOM 589 C ARG A 42 4.739 -15.108 4.138 1.00 0.00 C ATOM 590 O ARG A 42 4.880 -14.546 3.053 1.00 0.00 O ATOM 591 CB ARG A 42 6.019 -14.276 6.110 1.00 0.00 C ATOM 592 CG ARG A 42 6.475 -12.843 6.391 1.00 0.00 C ATOM 593 CD ARG A 42 6.905 -12.680 7.850 1.00 0.00 C ATOM 594 NE ARG A 42 8.238 -12.042 7.917 1.00 0.00 N ATOM 595 CZ ARG A 42 9.347 -12.558 7.368 1.00 0.00 C ATOM 596 NH1 ARG A 42 9.288 -13.723 6.710 1.00 0.00 N ATOM 597 NH2 ARG A 42 10.514 -11.908 7.479 1.00 0.00 N ATOM 0 H ARG A 42 3.932 -14.978 7.274 1.00 0.00 H new ATOM 0 HA ARG A 42 4.359 -13.268 5.196 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.972 -14.836 7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.751 -14.776 5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.305 -12.586 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.664 -12.149 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.175 -12.074 8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.934 -13.653 8.340 1.00 0.00 H new ATOM 0 HE ARG A 42 8.318 -11.154 8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.400 -14.217 6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.131 -14.116 6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.558 -11.021 7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.358 -12.300 7.061 1.00 0.00 H new ATOM 611 N ASN A 43 4.655 -16.421 4.297 1.00 0.00 N ATOM 612 CA ASN A 43 4.725 -17.319 3.157 1.00 0.00 C ATOM 613 C ASN A 43 3.499 -17.105 2.268 1.00 0.00 C ATOM 614 O ASN A 43 3.593 -17.186 1.044 1.00 0.00 O ATOM 615 CB ASN A 43 4.732 -18.781 3.608 1.00 0.00 C ATOM 616 CG ASN A 43 6.116 -19.406 3.421 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.381 -20.116 2.465 1.00 0.00 O ATOM 618 ND2 ASN A 43 6.980 -19.104 4.386 1.00 0.00 N ATOM 0 H ASN A 43 4.539 -16.884 5.198 1.00 0.00 H new ATOM 0 HA ASN A 43 5.646 -17.104 2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.440 -18.843 4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.994 -19.345 3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.930 -19.473 4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.692 -18.503 5.159 1.00 0.00 H new ATOM 625 N CYS A 44 2.376 -16.835 2.918 1.00 0.00 N ATOM 626 CA CYS A 44 1.133 -16.608 2.201 1.00 0.00 C ATOM 627 C CYS A 44 1.379 -15.535 1.139 1.00 0.00 C ATOM 628 O CYS A 44 0.734 -15.533 0.091 1.00 0.00 O ATOM 629 CB CYS A 44 -0.005 -16.221 3.149 1.00 0.00 C ATOM 630 SG CYS A 44 -1.671 -16.233 2.393 1.00 0.00 S ATOM 0 H CYS A 44 2.301 -16.768 3.933 1.00 0.00 H new ATOM 0 HA CYS A 44 0.817 -17.532 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.001 -16.906 3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.193 -15.224 3.543 1.00 0.00 H new ATOM 635 N LYS A 45 2.315 -14.648 1.445 1.00 0.00 N ATOM 636 CA LYS A 45 2.655 -13.572 0.530 1.00 0.00 C ATOM 637 C LYS A 45 3.156 -14.168 -0.787 1.00 0.00 C ATOM 638 O LYS A 45 2.897 -13.621 -1.858 1.00 0.00 O ATOM 639 CB LYS A 45 3.644 -12.605 1.183 1.00 0.00 C ATOM 640 CG LYS A 45 3.345 -11.160 0.782 1.00 0.00 C ATOM 641 CD LYS A 45 3.944 -10.176 1.788 1.00 0.00 C ATOM 642 CE LYS A 45 5.093 -9.383 1.162 1.00 0.00 C ATOM 643 NZ LYS A 45 6.397 -9.971 1.543 1.00 0.00 N ATOM 0 H LYS A 45 2.849 -14.653 2.314 1.00 0.00 H new ATOM 0 HA LYS A 45 1.772 -12.978 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.592 -12.703 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.661 -12.865 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.751 -10.963 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.267 -11.012 0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.171 -9.490 2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.305 -10.718 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.992 -9.380 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.046 -8.344 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.166 -9.421 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.498 -9.951 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.445 -10.955 1.209 1.00 0.00 H new ATOM 657 N LYS A 46 3.864 -15.281 -0.665 1.00 0.00 N ATOM 658 CA LYS A 46 4.403 -15.957 -1.832 1.00 0.00 C ATOM 659 C LYS A 46 3.440 -17.064 -2.266 1.00 0.00 C ATOM 660 O LYS A 46 3.506 -17.541 -3.398 1.00 0.00 O ATOM 661 CB LYS A 46 5.824 -16.453 -1.555 1.00 0.00 C ATOM 662 CG LYS A 46 6.850 -15.347 -1.809 1.00 0.00 C ATOM 663 CD LYS A 46 7.106 -15.168 -3.306 1.00 0.00 C ATOM 664 CE LYS A 46 8.522 -15.611 -3.678 1.00 0.00 C ATOM 665 NZ LYS A 46 9.434 -14.446 -3.723 1.00 0.00 N ATOM 0 H LYS A 46 4.077 -15.732 0.225 1.00 0.00 H new ATOM 0 HA LYS A 46 4.489 -15.263 -2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.899 -16.794 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.044 -17.311 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.492 -14.410 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.785 -15.590 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.379 -15.748 -3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.965 -14.123 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.885 -16.337 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.511 -16.109 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.391 -14.764 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.095 -13.767 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.458 -13.987 -2.790 1.00 0.00 H new ATOM 679 N ALA A 47 2.566 -17.439 -1.344 1.00 0.00 N ATOM 680 CA ALA A 47 1.590 -18.480 -1.617 1.00 0.00 C ATOM 681 C ALA A 47 0.835 -18.140 -2.904 1.00 0.00 C ATOM 682 O ALA A 47 0.884 -18.895 -3.874 1.00 0.00 O ATOM 683 CB ALA A 47 0.655 -18.631 -0.415 1.00 0.00 C ATOM 0 H ALA A 47 2.513 -17.040 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 47 2.084 -19.440 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.077 -19.412 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.236 -18.901 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.139 -17.688 -0.235 1.00 0.00 H new ATOM 689 N ASP A 48 0.154 -17.004 -2.870 1.00 0.00 N ATOM 690 CA ASP A 48 -0.610 -16.555 -4.022 1.00 0.00 C ATOM 691 C ASP A 48 -1.115 -15.132 -3.771 1.00 0.00 C ATOM 692 O ASP A 48 -2.204 -14.769 -4.213 1.00 0.00 O ATOM 693 CB ASP A 48 -1.825 -17.453 -4.260 1.00 0.00 C ATOM 694 CG ASP A 48 -1.564 -18.674 -5.144 1.00 0.00 C ATOM 695 OD1 ASP A 48 -1.136 -18.458 -6.298 1.00 0.00 O ATOM 696 OD2 ASP A 48 -1.799 -19.796 -4.646 1.00 0.00 O ATOM 0 H ASP A 48 0.115 -16.381 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 48 0.042 -16.592 -4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.199 -17.795 -3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.615 -16.856 -4.715 1.00 0.00 H new ATOM 701 N CYS A 49 -0.299 -14.366 -3.062 1.00 0.00 N ATOM 702 CA CYS A 49 -0.649 -12.991 -2.747 1.00 0.00 C ATOM 703 C CYS A 49 0.445 -12.077 -3.302 1.00 0.00 C ATOM 704 O CYS A 49 0.445 -10.875 -3.044 1.00 0.00 O ATOM 705 CB CYS A 49 -0.853 -12.790 -1.244 1.00 0.00 C ATOM 706 SG CYS A 49 -1.697 -14.172 -0.392 1.00 0.00 S ATOM 0 H CYS A 49 0.603 -14.671 -2.697 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.602 -12.739 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.120 -12.634 -0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.431 -11.879 -1.089 1.00 0.00 H new ATOM 711 N GLU A 50 1.352 -12.683 -4.054 1.00 0.00 N ATOM 712 CA GLU A 50 2.450 -11.939 -4.648 1.00 0.00 C ATOM 713 C GLU A 50 1.911 -10.780 -5.490 1.00 0.00 C ATOM 714 O GLU A 50 2.352 -9.641 -5.339 1.00 0.00 O ATOM 715 CB GLU A 50 3.344 -12.855 -5.485 1.00 0.00 C ATOM 716 CG GLU A 50 4.631 -13.201 -4.733 1.00 0.00 C ATOM 717 CD GLU A 50 5.859 -12.983 -5.620 1.00 0.00 C ATOM 718 OE1 GLU A 50 6.127 -11.805 -5.940 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.503 -14.000 -5.957 1.00 0.00 O ATOM 0 H GLU A 50 1.349 -13.681 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 50 3.060 -11.526 -3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.805 -13.770 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.590 -12.367 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.710 -12.584 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.596 -14.239 -4.403 1.00 0.00 H new ATOM 726 N PRO A 51 0.941 -11.119 -6.381 1.00 0.00 N ATOM 727 CA PRO A 51 0.338 -10.120 -7.246 1.00 0.00 C ATOM 728 C PRO A 51 -0.638 -9.236 -6.467 1.00 0.00 C ATOM 729 O PRO A 51 -0.687 -8.025 -6.677 1.00 0.00 O ATOM 730 CB PRO A 51 -0.334 -10.914 -8.354 1.00 0.00 C ATOM 731 CG PRO A 51 -0.481 -12.330 -7.822 1.00 0.00 C ATOM 732 CD PRO A 51 0.395 -12.457 -6.586 1.00 0.00 C ATOM 0 HA PRO A 51 1.069 -9.425 -7.659 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.306 -10.488 -8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.266 -10.899 -9.264 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.522 -12.539 -7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.181 -13.055 -8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.183 -12.785 -5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.188 -13.190 -6.736 1.00 0.00 H new ATOM 740 N GLN A 52 -1.390 -9.876 -5.584 1.00 0.00 N ATOM 741 CA GLN A 52 -2.362 -9.164 -4.772 1.00 0.00 C ATOM 742 C GLN A 52 -1.669 -8.080 -3.944 1.00 0.00 C ATOM 743 O GLN A 52 -2.159 -6.955 -3.852 1.00 0.00 O ATOM 744 CB GLN A 52 -3.138 -10.128 -3.873 1.00 0.00 C ATOM 745 CG GLN A 52 -3.895 -11.165 -4.706 1.00 0.00 C ATOM 746 CD GLN A 52 -4.593 -12.187 -3.806 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.249 -11.851 -2.834 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.416 -13.450 -4.184 1.00 0.00 N ATOM 0 H GLN A 52 -1.346 -10.881 -5.413 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.079 -8.683 -5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.450 -10.633 -3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.841 -9.569 -3.255 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.632 -10.665 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.202 -11.677 -5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.854 -13.662 -5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.842 -14.207 -3.649 1.00 0.00 H new ATOM 757 N ASP A 53 -0.540 -8.456 -3.362 1.00 0.00 N ATOM 758 CA ASP A 53 0.226 -7.530 -2.545 1.00 0.00 C ATOM 759 C ASP A 53 0.729 -6.380 -3.419 1.00 0.00 C ATOM 760 O ASP A 53 0.793 -5.237 -2.971 1.00 0.00 O ATOM 761 CB ASP A 53 1.442 -8.219 -1.924 1.00 0.00 C ATOM 762 CG ASP A 53 2.071 -7.480 -0.741 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.481 -6.457 -0.333 1.00 0.00 O ATOM 764 OD2 ASP A 53 3.128 -7.955 -0.272 1.00 0.00 O ATOM 0 H ASP A 53 -0.137 -9.390 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.425 -7.164 -1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.147 -9.216 -1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.200 -8.349 -2.696 1.00 0.00 H new ATOM 769 N LYS A 54 1.073 -6.724 -4.652 1.00 0.00 N ATOM 770 CA LYS A 54 1.569 -5.734 -5.594 1.00 0.00 C ATOM 771 C LYS A 54 0.475 -4.699 -5.862 1.00 0.00 C ATOM 772 O LYS A 54 0.684 -3.503 -5.663 1.00 0.00 O ATOM 773 CB LYS A 54 2.095 -6.415 -6.859 1.00 0.00 C ATOM 774 CG LYS A 54 3.478 -7.024 -6.619 1.00 0.00 C ATOM 775 CD LYS A 54 4.037 -7.637 -7.904 1.00 0.00 C ATOM 776 CE LYS A 54 5.364 -6.982 -8.292 1.00 0.00 C ATOM 777 NZ LYS A 54 5.564 -7.044 -9.757 1.00 0.00 N ATOM 0 H LYS A 54 1.018 -7.674 -5.020 1.00 0.00 H new ATOM 0 HA LYS A 54 2.419 -5.198 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.400 -7.194 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.149 -5.690 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.159 -6.256 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.413 -7.789 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.183 -8.708 -7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.317 -7.514 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.374 -5.943 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.187 -7.486 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.469 -6.595 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.576 -8.038 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.788 -6.543 -10.235 1.00 0.00 H new ATOM 791 N VAL A 55 -0.669 -5.196 -6.309 1.00 0.00 N ATOM 792 CA VAL A 55 -1.797 -4.329 -6.607 1.00 0.00 C ATOM 793 C VAL A 55 -1.991 -3.339 -5.457 1.00 0.00 C ATOM 794 O VAL A 55 -2.458 -2.221 -5.667 1.00 0.00 O ATOM 795 CB VAL A 55 -3.043 -5.170 -6.889 1.00 0.00 C ATOM 796 CG1 VAL A 55 -4.277 -4.282 -7.060 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.836 -6.064 -8.113 1.00 0.00 C ATOM 0 H VAL A 55 -0.839 -6.188 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.604 -3.747 -7.508 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.213 -5.816 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.149 -4.905 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.442 -3.709 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.121 -3.599 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.737 -6.651 -8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.628 -5.444 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.995 -6.734 -7.936 1.00 0.00 H new ATOM 807 N CYS A 56 -1.622 -3.786 -4.265 1.00 0.00 N ATOM 808 CA CYS A 56 -1.750 -2.953 -3.081 1.00 0.00 C ATOM 809 C CYS A 56 -0.662 -1.878 -3.131 1.00 0.00 C ATOM 810 O CYS A 56 -0.964 -0.686 -3.162 1.00 0.00 O ATOM 811 CB CYS A 56 -1.676 -3.781 -1.797 1.00 0.00 C ATOM 812 SG CYS A 56 -2.062 -2.857 -0.265 1.00 0.00 S ATOM 0 H CYS A 56 -1.235 -4.714 -4.094 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.730 -2.476 -3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.366 -4.620 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.674 -4.200 -1.709 1.00 0.00 H new ATOM 817 N ASP A 57 0.580 -2.338 -3.136 1.00 0.00 N ATOM 818 CA ASP A 57 1.714 -1.431 -3.180 1.00 0.00 C ATOM 819 C ASP A 57 1.415 -0.295 -4.161 1.00 0.00 C ATOM 820 O ASP A 57 1.565 0.878 -3.823 1.00 0.00 O ATOM 821 CB ASP A 57 2.976 -2.150 -3.661 1.00 0.00 C ATOM 822 CG ASP A 57 4.185 -2.025 -2.731 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.106 -1.186 -1.807 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.161 -2.770 -2.965 1.00 0.00 O ATOM 0 H ASP A 57 0.826 -3.328 -3.110 1.00 0.00 H new ATOM 0 HA ASP A 57 1.879 -1.048 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.746 -3.207 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.248 -1.758 -4.641 1.00 0.00 H new ATOM 829 N ALA A 58 0.996 -0.684 -5.357 1.00 0.00 N ATOM 830 CA ALA A 58 0.674 0.287 -6.389 1.00 0.00 C ATOM 831 C ALA A 58 -0.096 1.452 -5.764 1.00 0.00 C ATOM 832 O ALA A 58 0.236 2.614 -5.995 1.00 0.00 O ATOM 833 CB ALA A 58 -0.113 -0.399 -7.507 1.00 0.00 C ATOM 0 H ALA A 58 0.872 -1.658 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 58 1.583 0.693 -6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.355 0.329 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.489 -1.200 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.034 -0.816 -7.100 1.00 0.00 H new ATOM 839 N CYS A 59 -1.108 1.101 -4.985 1.00 0.00 N ATOM 840 CA CYS A 59 -1.928 2.104 -4.326 1.00 0.00 C ATOM 841 C CYS A 59 -1.014 2.983 -3.470 1.00 0.00 C ATOM 842 O CYS A 59 -0.869 4.176 -3.734 1.00 0.00 O ATOM 843 CB CYS A 59 -3.045 1.466 -3.498 1.00 0.00 C ATOM 844 SG CYS A 59 -4.057 2.648 -2.535 1.00 0.00 S ATOM 0 H CYS A 59 -1.379 0.136 -4.795 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.427 2.720 -5.074 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.701 0.909 -4.167 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.602 0.745 -2.811 1.00 0.00 H new ATOM 849 N ARG A 60 -0.422 2.361 -2.461 1.00 0.00 N ATOM 850 CA ARG A 60 0.473 3.072 -1.564 1.00 0.00 C ATOM 851 C ARG A 60 1.508 3.864 -2.366 1.00 0.00 C ATOM 852 O ARG A 60 2.012 4.884 -1.898 1.00 0.00 O ATOM 853 CB ARG A 60 1.196 2.103 -0.626 1.00 0.00 C ATOM 854 CG ARG A 60 0.212 1.428 0.331 1.00 0.00 C ATOM 855 CD ARG A 60 0.940 0.840 1.541 1.00 0.00 C ATOM 856 NE ARG A 60 0.599 -0.592 1.691 1.00 0.00 N ATOM 857 CZ ARG A 60 1.260 -1.443 2.487 1.00 0.00 C ATOM 858 NH1 ARG A 60 2.302 -1.011 3.210 1.00 0.00 N ATOM 859 NH2 ARG A 60 0.880 -2.726 2.560 1.00 0.00 N ATOM 0 H ARG A 60 -0.545 1.372 -2.245 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.130 3.756 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.717 1.345 -1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.953 2.641 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.530 2.153 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.327 0.638 -0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.017 0.955 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.662 1.385 2.443 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.189 -0.954 1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.592 -0.035 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.806 -1.659 3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.087 -3.055 2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.384 -3.373 3.166 1.00 0.00 H new ATOM 873 N MET A 61 1.793 3.365 -3.560 1.00 0.00 N ATOM 874 CA MET A 61 2.758 4.014 -4.430 1.00 0.00 C ATOM 875 C MET A 61 2.139 5.225 -5.130 1.00 0.00 C ATOM 876 O MET A 61 2.816 6.225 -5.365 1.00 0.00 O ATOM 877 CB MET A 61 3.252 3.016 -5.479 1.00 0.00 C ATOM 878 CG MET A 61 3.894 3.738 -6.665 1.00 0.00 C ATOM 879 SD MET A 61 5.402 2.911 -7.141 1.00 0.00 S ATOM 880 CE MET A 61 4.744 1.690 -8.265 1.00 0.00 C ATOM 0 H MET A 61 1.373 2.519 -3.945 1.00 0.00 H new ATOM 0 HA MET A 61 3.594 4.358 -3.821 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.975 2.337 -5.028 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.418 2.407 -5.828 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.201 3.760 -7.506 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.106 4.774 -6.399 1.00 0.00 H new ATOM 0 HE1 MET A 61 5.558 1.081 -8.658 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.037 1.052 -7.735 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.235 2.191 -9.088 1.00 0.00 H new ATOM 890 N LYS A 62 0.858 5.096 -5.443 1.00 0.00 N ATOM 891 CA LYS A 62 0.139 6.168 -6.111 1.00 0.00 C ATOM 892 C LYS A 62 -0.329 7.188 -5.071 1.00 0.00 C ATOM 893 O LYS A 62 0.049 8.357 -5.129 1.00 0.00 O ATOM 894 CB LYS A 62 -0.993 5.600 -6.969 1.00 0.00 C ATOM 895 CG LYS A 62 -0.483 4.483 -7.881 1.00 0.00 C ATOM 896 CD LYS A 62 -0.623 4.870 -9.354 1.00 0.00 C ATOM 897 CE LYS A 62 0.444 4.180 -10.207 1.00 0.00 C ATOM 898 NZ LYS A 62 -0.120 3.774 -11.514 1.00 0.00 N ATOM 0 H LYS A 62 0.299 4.266 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 62 0.797 6.696 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.784 5.216 -6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.431 6.395 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.562 4.273 -7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.042 3.567 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.615 4.595 -9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.535 5.951 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.287 4.854 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.828 3.305 -9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.617 3.307 -12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.909 3.114 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.465 4.615 -12.020 1.00 0.00 H new ATOM 912 N CYS A 63 -1.146 6.708 -4.145 1.00 0.00 N ATOM 913 CA CYS A 63 -1.670 7.564 -3.094 1.00 0.00 C ATOM 914 C CYS A 63 -0.531 8.448 -2.582 1.00 0.00 C ATOM 915 O CYS A 63 -0.754 9.599 -2.209 1.00 0.00 O ATOM 916 CB CYS A 63 -2.310 6.749 -1.968 1.00 0.00 C ATOM 917 SG CYS A 63 -2.621 7.683 -0.425 1.00 0.00 S ATOM 0 H CYS A 63 -1.458 5.738 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.464 8.193 -3.496 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.255 6.341 -2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.664 5.902 -1.739 1.00 0.00 H new ATOM 922 N HIS A 64 0.664 7.878 -2.581 1.00 0.00 N ATOM 923 CA HIS A 64 1.838 8.600 -2.122 1.00 0.00 C ATOM 924 C HIS A 64 2.072 9.820 -3.015 1.00 0.00 C ATOM 925 O HIS A 64 1.960 10.958 -2.561 1.00 0.00 O ATOM 926 CB HIS A 64 3.054 7.674 -2.052 1.00 0.00 C ATOM 927 CG HIS A 64 4.341 8.376 -1.692 1.00 0.00 C ATOM 928 ND1 HIS A 64 4.853 9.428 -2.430 1.00 0.00 N ATOM 929 CD2 HIS A 64 5.213 8.166 -0.664 1.00 0.00 C ATOM 930 CE1 HIS A 64 5.983 9.825 -1.864 1.00 0.00 C ATOM 931 NE2 HIS A 64 6.205 9.042 -0.770 1.00 0.00 N ATOM 0 H HIS A 64 0.845 6.923 -2.891 1.00 0.00 H new ATOM 0 HA HIS A 64 1.672 8.962 -1.107 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.861 6.892 -1.317 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.178 7.181 -3.016 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.113 7.415 0.105 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.617 10.628 -2.209 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.002 9.117 -0.137 1.00 0.00 H new ATOM 939 N LYS A 65 2.394 9.541 -4.270 1.00 0.00 N ATOM 940 CA LYS A 65 2.645 10.601 -5.231 1.00 0.00 C ATOM 941 C LYS A 65 1.407 11.495 -5.334 1.00 0.00 C ATOM 942 O LYS A 65 1.524 12.702 -5.536 1.00 0.00 O ATOM 943 CB LYS A 65 3.093 10.014 -6.571 1.00 0.00 C ATOM 944 CG LYS A 65 1.971 10.099 -7.609 1.00 0.00 C ATOM 945 CD LYS A 65 2.185 9.081 -8.731 1.00 0.00 C ATOM 946 CE LYS A 65 0.975 9.036 -9.668 1.00 0.00 C ATOM 947 NZ LYS A 65 1.330 9.578 -10.998 1.00 0.00 N ATOM 0 H LYS A 65 2.487 8.596 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 65 3.467 11.233 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.970 10.551 -6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.390 8.974 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.010 9.918 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.933 11.105 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.079 9.341 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.355 8.093 -8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.624 8.009 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.155 9.613 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.498 9.540 -11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.644 10.565 -10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.098 9.011 -11.410 1.00 0.00 H new ATOM 961 N ALA A 66 0.250 10.866 -5.190 1.00 0.00 N ATOM 962 CA ALA A 66 -1.009 11.589 -5.263 1.00 0.00 C ATOM 963 C ALA A 66 -1.104 12.561 -4.085 1.00 0.00 C ATOM 964 O ALA A 66 -1.322 13.756 -4.278 1.00 0.00 O ATOM 965 CB ALA A 66 -2.169 10.593 -5.292 1.00 0.00 C ATOM 0 H ALA A 66 0.158 9.864 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.061 12.177 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.113 11.135 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.071 9.946 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.151 9.987 -4.386 1.00 0.00 H new ATOM 971 N CYS A 67 -0.934 12.012 -2.892 1.00 0.00 N ATOM 972 CA CYS A 67 -0.998 12.815 -1.682 1.00 0.00 C ATOM 973 C CYS A 67 0.111 13.867 -1.745 1.00 0.00 C ATOM 974 O CYS A 67 -0.096 15.016 -1.358 1.00 0.00 O ATOM 975 CB CYS A 67 -0.895 11.952 -0.424 1.00 0.00 C ATOM 976 SG CYS A 67 -1.452 12.770 1.116 1.00 0.00 S ATOM 0 H CYS A 67 -0.752 11.020 -2.737 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.966 13.312 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.485 11.047 -0.572 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.142 11.640 -0.298 1.00 0.00 H new ATOM 981 N ARG A 68 1.264 13.437 -2.237 1.00 0.00 N ATOM 982 CA ARG A 68 2.406 14.327 -2.356 1.00 0.00 C ATOM 983 C ARG A 68 2.024 15.577 -3.152 1.00 0.00 C ATOM 984 O ARG A 68 2.572 16.654 -2.923 1.00 0.00 O ATOM 985 CB ARG A 68 3.579 13.629 -3.047 1.00 0.00 C ATOM 986 CG ARG A 68 4.871 14.429 -2.875 1.00 0.00 C ATOM 987 CD ARG A 68 5.450 14.834 -4.232 1.00 0.00 C ATOM 988 NE ARG A 68 4.815 16.086 -4.701 1.00 0.00 N ATOM 989 CZ ARG A 68 4.749 16.459 -5.986 1.00 0.00 C ATOM 990 NH1 ARG A 68 5.280 15.680 -6.938 1.00 0.00 N ATOM 991 NH2 ARG A 68 4.154 17.612 -6.319 1.00 0.00 N ATOM 0 H ARG A 68 1.432 12.483 -2.558 1.00 0.00 H new ATOM 0 HA ARG A 68 2.710 14.612 -1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.708 12.630 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.361 13.508 -4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.674 15.320 -2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.601 13.834 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.528 14.972 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.285 14.039 -4.959 1.00 0.00 H new ATOM 0 HE ARG A 68 4.402 16.703 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.735 14.803 -6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.230 15.964 -7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.751 18.206 -5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.104 17.896 -7.297 1.00 0.00 H new ATOM 1005 N ALA A 69 1.087 15.391 -4.070 1.00 0.00 N ATOM 1006 CA ALA A 69 0.625 16.490 -4.901 1.00 0.00 C ATOM 1007 C ALA A 69 -0.705 17.012 -4.356 1.00 0.00 C ATOM 1008 O ALA A 69 -1.125 18.120 -4.688 1.00 0.00 O ATOM 1009 CB ALA A 69 0.517 16.021 -6.353 1.00 0.00 C ATOM 0 H ALA A 69 0.635 14.496 -4.257 1.00 0.00 H new ATOM 0 HA ALA A 69 1.337 17.315 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.170 16.845 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.495 15.688 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.191 15.195 -6.417 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.333 16.190 -3.528 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.607 16.555 -2.933 1.00 0.00 C ATOM 1017 C ALA A 70 -2.364 17.508 -1.761 1.00 0.00 C ATOM 1018 O ALA A 70 -2.688 18.692 -1.843 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.354 15.288 -2.510 1.00 0.00 C ATOM 0 H ALA A 70 -0.983 15.272 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.233 17.077 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.310 15.561 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.528 14.659 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.757 14.740 -1.781 1.00 0.00 H new ATOM 1025 N ASN A 71 -1.797 16.956 -0.699 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.507 17.743 0.488 1.00 0.00 C ATOM 1027 C ASN A 71 -0.241 18.569 0.250 1.00 0.00 C ATOM 1028 O ASN A 71 -0.309 19.789 0.111 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.263 16.841 1.700 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.317 17.081 2.782 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -2.214 17.984 3.596 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -3.333 16.223 2.747 1.00 0.00 N ATOM 0 H ASN A 71 -1.531 15.973 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.364 18.387 0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.285 15.796 1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.270 17.032 2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.088 16.298 3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.357 15.490 2.038 1.00 0.00 H new ATOM 1039 N CYS A 72 0.884 17.870 0.212 1.00 0.00 N ATOM 1040 CA CYS A 72 2.163 18.524 -0.006 1.00 0.00 C ATOM 1041 C CYS A 72 2.164 19.120 -1.415 1.00 0.00 C ATOM 1042 O CYS A 72 1.325 18.767 -2.243 1.00 0.00 O ATOM 1043 CB CYS A 72 3.334 17.562 0.207 1.00 0.00 C ATOM 1044 SG CYS A 72 3.492 16.911 1.910 1.00 0.00 S ATOM 0 H CYS A 72 0.936 16.858 0.328 1.00 0.00 H new ATOM 0 HA CYS A 72 2.295 19.322 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.226 16.722 -0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.259 18.073 -0.059 1.00 0.00 H new ATOM 1049 N ALA A 73 3.115 20.013 -1.645 1.00 0.00 N ATOM 1050 CA ALA A 73 3.237 20.662 -2.939 1.00 0.00 C ATOM 1051 C ALA A 73 4.494 21.533 -2.953 1.00 0.00 C ATOM 1052 O ALA A 73 5.223 21.562 -3.944 1.00 0.00 O ATOM 1053 CB ALA A 73 1.967 21.466 -3.229 1.00 0.00 C ATOM 0 H ALA A 73 3.809 20.303 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 73 3.342 19.920 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.058 21.953 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.107 20.797 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.830 22.222 -2.455 1.00 0.00 H new ATOM 1059 N SER A 74 4.710 22.222 -1.842 1.00 0.00 N ATOM 1060 CA SER A 74 5.867 23.092 -1.714 1.00 0.00 C ATOM 1061 C SER A 74 7.054 22.304 -1.156 1.00 0.00 C ATOM 1062 O SER A 74 8.205 22.600 -1.474 1.00 0.00 O ATOM 1063 CB SER A 74 5.557 24.292 -0.817 1.00 0.00 C ATOM 1064 OG SER A 74 6.472 25.364 -1.026 1.00 0.00 O ATOM 0 H SER A 74 4.103 22.195 -1.022 1.00 0.00 H new ATOM 0 HA SER A 74 6.123 23.470 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.542 24.638 -1.012 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.593 23.983 0.228 1.00 0.00 H new ATOM 0 HG SER A 74 6.240 26.112 -0.436 1.00 0.00 H new ATOM 1070 N GLU A 75 6.734 21.317 -0.332 1.00 0.00 N ATOM 1071 CA GLU A 75 7.760 20.485 0.273 1.00 0.00 C ATOM 1072 C GLU A 75 8.261 19.445 -0.731 1.00 0.00 C ATOM 1073 O GLU A 75 9.143 18.647 -0.416 1.00 0.00 O ATOM 1074 CB GLU A 75 7.240 19.812 1.545 1.00 0.00 C ATOM 1075 CG GLU A 75 6.859 20.853 2.600 1.00 0.00 C ATOM 1076 CD GLU A 75 7.987 21.043 3.616 1.00 0.00 C ATOM 1077 OE1 GLU A 75 8.131 20.148 4.477 1.00 0.00 O ATOM 1078 OE2 GLU A 75 8.679 22.078 3.510 1.00 0.00 O ATOM 0 H GLU A 75 5.779 21.075 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 75 8.598 21.123 0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.373 19.197 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.003 19.145 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.638 21.804 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.951 20.539 3.114 1.00 0.00 H new ATOM 1085 N CYS A 76 7.677 19.488 -1.920 1.00 0.00 N ATOM 1086 CA CYS A 76 8.054 18.559 -2.972 1.00 0.00 C ATOM 1087 C CYS A 76 7.923 19.278 -4.316 1.00 0.00 C ATOM 1088 O CYS A 76 6.814 19.549 -4.775 1.00 0.00 O ATOM 1089 CB CYS A 76 7.215 17.280 -2.925 1.00 0.00 C ATOM 1090 SG CYS A 76 6.645 16.798 -1.254 1.00 0.00 S ATOM 0 H CYS A 76 6.946 20.151 -2.178 1.00 0.00 H new ATOM 0 HA CYS A 76 9.087 18.243 -2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.344 17.410 -3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.801 16.462 -3.344 1.00 0.00 H new ATOM 1095 N PRO A 77 9.102 19.575 -4.927 1.00 0.00 N ATOM 1096 CA PRO A 77 9.129 20.257 -6.209 1.00 0.00 C ATOM 1097 C PRO A 77 8.741 19.307 -7.344 1.00 0.00 C ATOM 1098 O PRO A 77 8.193 18.233 -7.100 1.00 0.00 O ATOM 1099 CB PRO A 77 10.546 20.791 -6.340 1.00 0.00 C ATOM 1100 CG PRO A 77 11.384 19.997 -5.351 1.00 0.00 C ATOM 1101 CD PRO A 77 10.434 19.270 -4.414 1.00 0.00 C ATOM 0 HA PRO A 77 8.404 21.069 -6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.918 20.665 -7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.584 21.857 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.022 19.286 -5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.042 20.660 -4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.622 18.196 -4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.551 19.614 -3.386 1.00 0.00 H new ATOM 1109 N LYS A 78 9.041 19.737 -8.561 1.00 0.00 N ATOM 1110 CA LYS A 78 8.730 18.938 -9.734 1.00 0.00 C ATOM 1111 C LYS A 78 9.929 18.049 -10.073 1.00 0.00 C ATOM 1112 O LYS A 78 11.070 18.506 -10.054 1.00 0.00 O ATOM 1113 CB LYS A 78 8.284 19.835 -10.891 1.00 0.00 C ATOM 1114 CG LYS A 78 6.897 19.431 -11.395 1.00 0.00 C ATOM 1115 CD LYS A 78 6.683 19.891 -12.838 1.00 0.00 C ATOM 1116 CE LYS A 78 7.273 18.884 -13.828 1.00 0.00 C ATOM 1117 NZ LYS A 78 6.195 18.181 -14.558 1.00 0.00 N ATOM 0 H LYS A 78 9.496 20.628 -8.760 1.00 0.00 H new ATOM 0 HA LYS A 78 7.888 18.276 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.267 20.875 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.005 19.768 -11.706 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.785 18.348 -11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.132 19.867 -10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.617 20.013 -13.030 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.147 20.866 -12.985 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.923 19.399 -14.535 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.891 18.161 -13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.613 17.502 -15.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.591 17.674 -13.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.622 18.873 -15.082 1.00 0.00 H new ATOM 1131 N HIS A 79 9.628 16.795 -10.374 1.00 0.00 N ATOM 1132 CA HIS A 79 10.666 15.837 -10.716 1.00 0.00 C ATOM 1133 C HIS A 79 11.557 15.590 -9.498 1.00 0.00 C ATOM 1134 O HIS A 79 12.621 16.194 -9.369 1.00 0.00 O ATOM 1135 CB HIS A 79 11.454 16.305 -11.942 1.00 0.00 C ATOM 1136 CG HIS A 79 10.936 15.757 -13.250 1.00 0.00 C ATOM 1137 ND1 HIS A 79 10.235 16.528 -14.161 1.00 0.00 N ATOM 1138 CD2 HIS A 79 11.026 14.508 -13.791 1.00 0.00 C ATOM 1139 CE1 HIS A 79 9.921 15.767 -15.199 1.00 0.00 C ATOM 1140 NE2 HIS A 79 10.412 14.515 -14.968 1.00 0.00 N ATOM 0 H HIS A 79 8.680 16.419 -10.388 1.00 0.00 H new ATOM 0 HA HIS A 79 10.212 14.885 -10.990 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.432 17.394 -11.982 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.497 16.012 -11.825 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.514 13.657 -13.338 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.373 16.082 -16.074 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.322 13.716 -15.596 1.00 0.00 H new ATOM 1148 N GLU A 80 11.091 14.700 -8.634 1.00 0.00 N ATOM 1149 CA GLU A 80 11.832 14.365 -7.430 1.00 0.00 C ATOM 1150 C GLU A 80 11.423 12.981 -6.923 1.00 0.00 C ATOM 1151 O GLU A 80 10.581 12.318 -7.527 1.00 0.00 O ATOM 1152 CB GLU A 80 11.630 15.428 -6.348 1.00 0.00 C ATOM 1153 CG GLU A 80 12.896 16.266 -6.159 1.00 0.00 C ATOM 1154 CD GLU A 80 14.110 15.372 -5.897 1.00 0.00 C ATOM 1155 OE1 GLU A 80 14.145 14.768 -4.803 1.00 0.00 O ATOM 1156 OE2 GLU A 80 14.977 15.314 -6.796 1.00 0.00 O ATOM 0 H GLU A 80 10.209 14.200 -8.744 1.00 0.00 H new ATOM 0 HA GLU A 80 12.894 14.341 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.798 16.077 -6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.364 14.948 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.071 16.872 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.760 16.954 -5.325 1.00 0.00 H new ATOM 1163 N HIS A 81 12.037 12.585 -5.818 1.00 0.00 N ATOM 1164 CA HIS A 81 11.748 11.292 -5.222 1.00 0.00 C ATOM 1165 C HIS A 81 11.811 11.404 -3.697 1.00 0.00 C ATOM 1166 O HIS A 81 12.887 11.312 -3.109 1.00 0.00 O ATOM 1167 CB HIS A 81 12.683 10.216 -5.777 1.00 0.00 C ATOM 1168 CG HIS A 81 12.696 10.133 -7.285 1.00 0.00 C ATOM 1169 ND1 HIS A 81 12.287 9.006 -7.977 1.00 0.00 N ATOM 1170 CD2 HIS A 81 13.072 11.046 -8.225 1.00 0.00 C ATOM 1171 CE1 HIS A 81 12.416 9.242 -9.274 1.00 0.00 C ATOM 1172 NE2 HIS A 81 12.903 10.507 -9.426 1.00 0.00 N ATOM 0 H HIS A 81 12.734 13.138 -5.319 1.00 0.00 H new ATOM 0 HA HIS A 81 10.737 10.983 -5.487 1.00 0.00 H new ATOM 0 HB2 HIS A 81 13.696 10.412 -5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.387 9.248 -5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.444 12.040 -8.026 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.177 8.554 -10.071 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.104 10.963 -10.316 1.00 0.00 H new ATOM 1180 N LYS A 82 10.644 11.600 -3.101 1.00 0.00 N ATOM 1181 CA LYS A 82 10.553 11.724 -1.657 1.00 0.00 C ATOM 1182 C LYS A 82 11.723 12.568 -1.147 1.00 0.00 C ATOM 1183 O LYS A 82 12.699 12.032 -0.624 1.00 0.00 O ATOM 1184 CB LYS A 82 10.461 10.344 -1.004 1.00 0.00 C ATOM 1185 CG LYS A 82 11.547 9.410 -1.541 1.00 0.00 C ATOM 1186 CD LYS A 82 11.517 8.061 -0.820 1.00 0.00 C ATOM 1187 CE LYS A 82 11.254 6.919 -1.803 1.00 0.00 C ATOM 1188 NZ LYS A 82 12.529 6.302 -2.233 1.00 0.00 N ATOM 0 H LYS A 82 9.753 11.676 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 82 9.637 12.245 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.562 10.442 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.478 9.912 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.404 9.258 -2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.525 9.873 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.467 7.896 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.742 8.072 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.619 6.167 -1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.714 7.296 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.333 5.529 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.122 7.019 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.029 5.925 -1.403 1.00 0.00 H new ATOM 1202 N SER A 83 11.588 13.875 -1.318 1.00 0.00 N ATOM 1203 CA SER A 83 12.622 14.798 -0.883 1.00 0.00 C ATOM 1204 C SER A 83 12.677 14.838 0.646 1.00 0.00 C ATOM 1205 O SER A 83 11.716 14.464 1.316 1.00 0.00 O ATOM 1206 CB SER A 83 12.378 16.202 -1.441 1.00 0.00 C ATOM 1207 OG SER A 83 11.854 17.086 -0.454 1.00 0.00 O ATOM 0 H SER A 83 10.778 14.317 -1.752 1.00 0.00 H new ATOM 0 HA SER A 83 13.579 14.445 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.313 16.605 -1.829 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.684 16.143 -2.280 1.00 0.00 H new ATOM 0 HG SER A 83 11.565 17.919 -0.881 1.00 0.00 H new ATOM 1213 N ASP A 84 13.813 15.294 1.153 1.00 0.00 N ATOM 1214 CA ASP A 84 14.007 15.387 2.590 1.00 0.00 C ATOM 1215 C ASP A 84 12.848 16.173 3.207 1.00 0.00 C ATOM 1216 O ASP A 84 12.121 15.654 4.051 1.00 0.00 O ATOM 1217 CB ASP A 84 15.307 16.122 2.924 1.00 0.00 C ATOM 1218 CG ASP A 84 15.656 16.174 4.413 1.00 0.00 C ATOM 1219 OD1 ASP A 84 14.774 15.800 5.216 1.00 0.00 O ATOM 1220 OD2 ASP A 84 16.797 16.586 4.714 1.00 0.00 O ATOM 0 H ASP A 84 14.608 15.603 0.594 1.00 0.00 H new ATOM 0 HA ASP A 84 14.052 14.374 2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.127 15.640 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.237 17.142 2.547 1.00 0.00 H new ATOM 1225 N THR A 85 12.713 17.414 2.760 1.00 0.00 N ATOM 1226 CA THR A 85 11.655 18.277 3.258 1.00 0.00 C ATOM 1227 C THR A 85 10.285 17.726 2.856 1.00 0.00 C ATOM 1228 O THR A 85 9.269 18.089 3.447 1.00 0.00 O ATOM 1229 CB THR A 85 11.917 19.692 2.740 1.00 0.00 C ATOM 1230 OG1 THR A 85 11.442 20.537 3.785 1.00 0.00 O ATOM 1231 CG2 THR A 85 11.035 20.050 1.542 1.00 0.00 C ATOM 0 H THR A 85 13.318 17.842 2.059 1.00 0.00 H new ATOM 0 HA THR A 85 11.650 18.310 4.347 1.00 0.00 H new ATOM 0 HB THR A 85 12.966 19.787 2.460 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.650 21.024 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.261 21.065 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.229 19.353 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.986 19.988 1.831 1.00 0.00 H new ATOM 1239 N CYS A 86 10.301 16.860 1.854 1.00 0.00 N ATOM 1240 CA CYS A 86 9.073 16.256 1.367 1.00 0.00 C ATOM 1241 C CYS A 86 8.631 15.189 2.371 1.00 0.00 C ATOM 1242 O CYS A 86 7.554 15.291 2.956 1.00 0.00 O ATOM 1243 CB CYS A 86 9.245 15.679 -0.040 1.00 0.00 C ATOM 1244 SG CYS A 86 7.704 15.064 -0.811 1.00 0.00 S ATOM 0 H CYS A 86 11.146 16.562 1.366 1.00 0.00 H new ATOM 0 HA CYS A 86 8.298 17.018 1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.674 16.448 -0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.964 14.861 0.003 1.00 0.00 H new ATOM 1249 N ARG A 87 9.485 14.190 2.539 1.00 0.00 N ATOM 1250 CA ARG A 87 9.196 13.106 3.462 1.00 0.00 C ATOM 1251 C ARG A 87 8.704 13.663 4.799 1.00 0.00 C ATOM 1252 O ARG A 87 7.795 13.105 5.412 1.00 0.00 O ATOM 1253 CB ARG A 87 10.436 12.242 3.702 1.00 0.00 C ATOM 1254 CG ARG A 87 10.906 11.584 2.403 1.00 0.00 C ATOM 1255 CD ARG A 87 11.990 10.540 2.679 1.00 0.00 C ATOM 1256 NE ARG A 87 11.451 9.467 3.543 1.00 0.00 N ATOM 1257 CZ ARG A 87 11.474 9.497 4.882 1.00 0.00 C ATOM 1258 NH1 ARG A 87 12.011 10.547 5.519 1.00 0.00 N ATOM 1259 NH2 ARG A 87 10.962 8.478 5.585 1.00 0.00 N ATOM 0 H ARG A 87 10.377 14.109 2.051 1.00 0.00 H new ATOM 0 HA ARG A 87 8.418 12.488 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.237 12.856 4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.211 11.474 4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.060 11.112 1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.293 12.345 1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.347 10.117 1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.846 11.011 3.162 1.00 0.00 H new ATOM 0 HE ARG A 87 11.036 8.653 3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.402 11.323 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.029 10.570 6.539 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.554 7.678 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.980 8.502 6.605 1.00 0.00 H new ATOM 1273 N ALA A 88 9.325 14.758 5.211 1.00 0.00 N ATOM 1274 CA ALA A 88 8.962 15.397 6.465 1.00 0.00 C ATOM 1275 C ALA A 88 7.545 15.964 6.351 1.00 0.00 C ATOM 1276 O ALA A 88 6.788 15.949 7.320 1.00 0.00 O ATOM 1277 CB ALA A 88 9.995 16.473 6.807 1.00 0.00 C ATOM 0 H ALA A 88 10.077 15.219 4.699 1.00 0.00 H new ATOM 0 HA ALA A 88 8.963 14.673 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.723 16.953 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.979 16.015 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.019 17.219 6.013 1.00 0.00 H new ATOM 1283 N CYS A 89 7.230 16.450 5.160 1.00 0.00 N ATOM 1284 CA CYS A 89 5.918 17.020 4.908 1.00 0.00 C ATOM 1285 C CYS A 89 4.898 15.879 4.866 1.00 0.00 C ATOM 1286 O CYS A 89 3.936 15.874 5.632 1.00 0.00 O ATOM 1287 CB CYS A 89 5.899 17.849 3.622 1.00 0.00 C ATOM 1288 SG CYS A 89 4.234 18.366 3.066 1.00 0.00 S ATOM 0 H CYS A 89 7.861 16.461 4.359 1.00 0.00 H new ATOM 0 HA CYS A 89 5.658 17.709 5.711 1.00 0.00 H new ATOM 0 HB2 CYS A 89 6.509 18.740 3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 89 6.369 17.270 2.827 1.00 0.00 H new ATOM 1293 N MET A 90 5.144 14.941 3.964 1.00 0.00 N ATOM 1294 CA MET A 90 4.260 13.798 3.813 1.00 0.00 C ATOM 1295 C MET A 90 4.133 13.025 5.127 1.00 0.00 C ATOM 1296 O MET A 90 3.139 12.338 5.354 1.00 0.00 O ATOM 1297 CB MET A 90 4.806 12.870 2.726 1.00 0.00 C ATOM 1298 CG MET A 90 4.587 13.468 1.334 1.00 0.00 C ATOM 1299 SD MET A 90 2.980 13.000 0.715 1.00 0.00 S ATOM 1300 CE MET A 90 3.124 11.223 0.787 1.00 0.00 C ATOM 0 H MET A 90 5.943 14.949 3.330 1.00 0.00 H new ATOM 0 HA MET A 90 3.272 14.162 3.530 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.870 12.699 2.889 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.314 11.899 2.790 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.666 14.554 1.379 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.364 13.120 0.653 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.527 10.777 -0.008 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.168 10.937 0.660 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.765 10.868 1.753 1.00 0.00 H new ATOM 1310 N LYS A 91 5.155 13.165 5.959 1.00 0.00 N ATOM 1311 CA LYS A 91 5.170 12.488 7.245 1.00 0.00 C ATOM 1312 C LYS A 91 3.964 12.943 8.070 1.00 0.00 C ATOM 1313 O LYS A 91 3.296 12.126 8.701 1.00 0.00 O ATOM 1314 CB LYS A 91 6.512 12.703 7.948 1.00 0.00 C ATOM 1315 CG LYS A 91 6.431 12.294 9.420 1.00 0.00 C ATOM 1316 CD LYS A 91 7.814 12.327 10.074 1.00 0.00 C ATOM 1317 CE LYS A 91 7.786 11.656 11.449 1.00 0.00 C ATOM 1318 NZ LYS A 91 9.000 12.004 12.221 1.00 0.00 N ATOM 0 H LYS A 91 5.978 13.737 5.768 1.00 0.00 H new ATOM 0 HA LYS A 91 5.076 11.411 7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.286 12.122 7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.802 13.751 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.757 12.966 9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.010 11.292 9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.536 11.821 9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.148 13.360 10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.897 11.971 11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.721 10.574 11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.965 11.540 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.844 11.682 11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.046 13.035 12.350 1.00 0.00 H new ATOM 1332 N THR A 92 3.722 14.245 8.038 1.00 0.00 N ATOM 1333 CA THR A 92 2.608 14.818 8.774 1.00 0.00 C ATOM 1334 C THR A 92 1.392 14.980 7.861 1.00 0.00 C ATOM 1335 O THR A 92 0.295 14.537 8.198 1.00 0.00 O ATOM 1336 CB THR A 92 3.080 16.134 9.397 1.00 0.00 C ATOM 1337 OG1 THR A 92 3.842 15.727 10.531 1.00 0.00 O ATOM 1338 CG2 THR A 92 1.929 16.945 9.993 1.00 0.00 C ATOM 0 H THR A 92 4.279 14.920 7.514 1.00 0.00 H new ATOM 0 HA THR A 92 2.285 14.158 9.579 1.00 0.00 H new ATOM 0 HB THR A 92 3.591 16.731 8.642 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.188 16.519 10.994 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.318 17.868 10.422 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.209 17.184 9.211 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.438 16.362 10.772 1.00 0.00 H new ATOM 1346 N ASN A 93 1.627 15.616 6.723 1.00 0.00 N ATOM 1347 CA ASN A 93 0.564 15.842 5.758 1.00 0.00 C ATOM 1348 C ASN A 93 -0.178 14.528 5.506 1.00 0.00 C ATOM 1349 O ASN A 93 -1.397 14.461 5.658 1.00 0.00 O ATOM 1350 CB ASN A 93 1.127 16.331 4.422 1.00 0.00 C ATOM 1351 CG ASN A 93 1.175 17.859 4.373 1.00 0.00 C ATOM 1352 OD1 ASN A 93 0.403 18.509 3.687 1.00 0.00 O ATOM 1353 ND2 ASN A 93 2.122 18.396 5.138 1.00 0.00 N ATOM 0 H ASN A 93 2.538 15.982 6.447 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.106 16.599 6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 93 2.129 15.927 4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.510 15.957 3.605 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.235 19.409 5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.735 17.795 5.688 1.00 0.00 H new ATOM 1360 N CYS A 94 0.588 13.517 5.126 1.00 0.00 N ATOM 1361 CA CYS A 94 0.019 12.208 4.851 1.00 0.00 C ATOM 1362 C CYS A 94 0.545 11.226 5.899 1.00 0.00 C ATOM 1363 O CYS A 94 1.557 10.562 5.680 1.00 0.00 O ATOM 1364 CB CYS A 94 0.329 11.744 3.427 1.00 0.00 C ATOM 1365 SG CYS A 94 -1.127 11.190 2.466 1.00 0.00 S ATOM 0 H CYS A 94 1.599 13.577 5.002 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.068 12.260 4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.811 12.561 2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.048 10.926 3.475 1.00 0.00 H new ATOM 1370 N LYS A 95 -0.166 11.164 7.016 1.00 0.00 N ATOM 1371 CA LYS A 95 0.217 10.273 8.098 1.00 0.00 C ATOM 1372 C LYS A 95 0.677 8.936 7.514 1.00 0.00 C ATOM 1373 O LYS A 95 0.188 7.880 7.912 1.00 0.00 O ATOM 1374 CB LYS A 95 -0.922 10.142 9.112 1.00 0.00 C ATOM 1375 CG LYS A 95 -0.667 11.021 10.338 1.00 0.00 C ATOM 1376 CD LYS A 95 -1.206 10.359 11.608 1.00 0.00 C ATOM 1377 CE LYS A 95 -0.964 11.244 12.833 1.00 0.00 C ATOM 1378 NZ LYS A 95 -2.166 12.054 13.132 1.00 0.00 N ATOM 0 H LYS A 95 -1.005 11.716 7.195 1.00 0.00 H new ATOM 0 HA LYS A 95 1.060 10.686 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.864 10.428 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.022 9.101 9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.403 11.202 10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.143 11.992 10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.274 10.168 11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.723 9.393 11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.713 10.624 13.693 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.112 11.899 12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.985 12.649 13.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.388 12.660 12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.970 11.424 13.324 1.00 0.00 H new