USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=14 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 64 HIS : no HD1:sc= -2.71 K(o=-7.6,f=-6.5) USER MOD Set 1.2: A 90 MET CE :methyl 157:sc= -4.92! (180deg=-2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0761 X(o=-0.076,f=-0.076) USER MOD Single : A 14 THR OG1 : rot 117:sc= 0.0256 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 99:sc= 0.159 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 150:sc= 0.0363 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (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= 0.00534 USER MOD Single : A 43 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.606) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.8 K(o=-2.8,f=-7.7!) 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+ -173:sc= 0 (180deg=-0.0363) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=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= -0.337 X(o=-0.34,f=-0.033) USER MOD Single : A 81 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-2.8!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 140:sc= -0.944 USER MOD Single : A 85 THR OG1 : rot 170:sc= -0.13 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 87:sc= 0.588 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -1.730 9.892 5.264 1.00 0.00 N ATOM 91 CA VAL A 7 -2.525 9.045 4.391 1.00 0.00 C ATOM 92 C VAL A 7 -1.924 7.638 4.368 1.00 0.00 C ATOM 93 O VAL A 7 -2.477 6.713 4.961 1.00 0.00 O ATOM 94 CB VAL A 7 -2.627 9.675 3.001 1.00 0.00 C ATOM 95 CG1 VAL A 7 -3.421 8.777 2.049 1.00 0.00 C ATOM 96 CG2 VAL A 7 -3.243 11.073 3.076 1.00 0.00 C ATOM 0 HA VAL A 7 -3.544 8.957 4.768 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.617 9.775 2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.479 9.248 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.923 7.812 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.428 8.631 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.304 11.498 2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.243 11.007 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.621 11.711 3.704 1.00 0.00 H new ATOM 106 N ASP A 8 -0.800 7.521 3.677 1.00 0.00 N ATOM 107 CA ASP A 8 -0.118 6.243 3.568 1.00 0.00 C ATOM 108 C ASP A 8 -1.014 5.253 2.821 1.00 0.00 C ATOM 109 O ASP A 8 -0.808 4.043 2.898 1.00 0.00 O ATOM 110 CB ASP A 8 0.182 5.659 4.950 1.00 0.00 C ATOM 111 CG ASP A 8 1.004 6.564 5.870 1.00 0.00 C ATOM 112 OD1 ASP A 8 2.046 7.062 5.393 1.00 0.00 O ATOM 113 OD2 ASP A 8 0.571 6.737 7.030 1.00 0.00 O ATOM 0 H ASP A 8 -0.344 8.291 3.187 1.00 0.00 H new ATOM 0 HA ASP A 8 0.818 6.405 3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.762 5.427 5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.715 4.717 4.822 1.00 0.00 H new ATOM 118 N CYS A 9 -1.990 5.804 2.115 1.00 0.00 N ATOM 119 CA CYS A 9 -2.918 4.985 1.355 1.00 0.00 C ATOM 120 C CYS A 9 -3.312 3.782 2.214 1.00 0.00 C ATOM 121 O CYS A 9 -2.966 2.646 1.892 1.00 0.00 O ATOM 122 CB CYS A 9 -2.326 4.558 0.010 1.00 0.00 C ATOM 123 SG CYS A 9 -3.470 4.696 -1.411 1.00 0.00 S ATOM 0 H CYS A 9 -2.158 6.808 2.053 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.809 5.566 1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.444 5.165 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.990 3.524 0.089 1.00 0.00 H new ATOM 128 N LYS A 10 -4.029 4.072 3.289 1.00 0.00 N ATOM 129 CA LYS A 10 -4.474 3.028 4.196 1.00 0.00 C ATOM 130 C LYS A 10 -5.952 2.731 3.941 1.00 0.00 C ATOM 131 O LYS A 10 -6.286 1.769 3.250 1.00 0.00 O ATOM 132 CB LYS A 10 -4.165 3.410 5.645 1.00 0.00 C ATOM 133 CG LYS A 10 -3.279 2.357 6.314 1.00 0.00 C ATOM 134 CD LYS A 10 -4.116 1.387 7.150 1.00 0.00 C ATOM 135 CE LYS A 10 -4.003 1.710 8.641 1.00 0.00 C ATOM 136 NZ LYS A 10 -5.257 2.321 9.136 1.00 0.00 N ATOM 0 H LYS A 10 -4.313 5.015 3.553 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.927 2.104 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.667 4.379 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.095 3.515 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.727 1.805 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.542 2.848 6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.160 1.442 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.783 0.365 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.789 0.800 9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.169 2.391 8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.163 2.534 10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.445 3.200 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.046 1.659 8.993 1.00 0.00 H new ATOM 150 N GLY A 11 -6.800 3.575 4.511 1.00 0.00 N ATOM 151 CA GLY A 11 -8.235 3.415 4.353 1.00 0.00 C ATOM 152 C GLY A 11 -8.671 3.752 2.926 1.00 0.00 C ATOM 153 O GLY A 11 -9.830 3.554 2.564 1.00 0.00 O ATOM 0 H GLY A 11 -6.520 4.372 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.518 2.390 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.756 4.062 5.059 1.00 0.00 H new ATOM 157 N GLN A 12 -7.719 4.255 2.154 1.00 0.00 N ATOM 158 CA GLN A 12 -7.990 4.621 0.774 1.00 0.00 C ATOM 159 C GLN A 12 -7.618 3.471 -0.163 1.00 0.00 C ATOM 160 O GLN A 12 -8.243 3.289 -1.207 1.00 0.00 O ATOM 161 CB GLN A 12 -7.247 5.902 0.391 1.00 0.00 C ATOM 162 CG GLN A 12 -7.790 6.480 -0.918 1.00 0.00 C ATOM 163 CD GLN A 12 -9.149 7.147 -0.700 1.00 0.00 C ATOM 164 OE1 GLN A 12 -10.192 6.616 -1.044 1.00 0.00 O ATOM 165 NE2 GLN A 12 -9.080 8.338 -0.111 1.00 0.00 N ATOM 0 H GLN A 12 -6.759 4.418 2.458 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.058 4.815 0.673 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.350 6.638 1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.183 5.692 0.286 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.084 7.207 -1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.885 5.686 -1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.174 8.725 0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.933 8.864 0.078 1.00 0.00 H new ATOM 174 N CYS A 13 -6.602 2.723 0.243 1.00 0.00 N ATOM 175 CA CYS A 13 -6.140 1.595 -0.548 1.00 0.00 C ATOM 176 C CYS A 13 -6.797 0.325 -0.003 1.00 0.00 C ATOM 177 O CYS A 13 -6.108 -0.624 0.368 1.00 0.00 O ATOM 178 CB CYS A 13 -4.614 1.493 -0.549 1.00 0.00 C ATOM 179 SG CYS A 13 -3.764 2.709 -1.621 1.00 0.00 S ATOM 0 H CYS A 13 -6.086 2.876 1.109 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.430 1.734 -1.589 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.255 1.617 0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.331 0.489 -0.867 1.00 0.00 H new ATOM 184 N THR A 14 -8.121 0.349 0.029 1.00 0.00 N ATOM 185 CA THR A 14 -8.878 -0.789 0.523 1.00 0.00 C ATOM 186 C THR A 14 -9.313 -1.684 -0.639 1.00 0.00 C ATOM 187 O THR A 14 -9.449 -2.896 -0.476 1.00 0.00 O ATOM 188 CB THR A 14 -10.049 -0.255 1.350 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.433 0.288 2.514 1.00 0.00 O ATOM 190 CG2 THR A 14 -10.944 -1.373 1.888 1.00 0.00 C ATOM 0 H THR A 14 -8.689 1.138 -0.279 1.00 0.00 H new ATOM 0 HA THR A 14 -8.267 -1.421 1.168 1.00 0.00 H new ATOM 0 HB THR A 14 -10.644 0.424 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.593 1.254 2.548 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.759 -0.940 2.467 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.354 -1.943 1.055 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.357 -2.034 2.526 1.00 0.00 H new ATOM 198 N THR A 15 -9.520 -1.053 -1.786 1.00 0.00 N ATOM 199 CA THR A 15 -9.937 -1.778 -2.974 1.00 0.00 C ATOM 200 C THR A 15 -8.765 -2.575 -3.551 1.00 0.00 C ATOM 201 O THR A 15 -8.913 -3.751 -3.882 1.00 0.00 O ATOM 202 CB THR A 15 -10.528 -0.768 -3.960 1.00 0.00 C ATOM 203 OG1 THR A 15 -11.937 -0.903 -3.792 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.287 -1.164 -5.418 1.00 0.00 C ATOM 0 H THR A 15 -9.407 -0.048 -1.917 1.00 0.00 H new ATOM 0 HA THR A 15 -10.706 -2.514 -2.739 1.00 0.00 H new ATOM 0 HB THR A 15 -10.096 0.216 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.399 -0.282 -4.393 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.726 -0.414 -6.076 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.215 -1.228 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.748 -2.132 -5.613 1.00 0.00 H new ATOM 212 N PRO A 16 -7.597 -1.887 -3.656 1.00 0.00 N ATOM 213 CA PRO A 16 -6.401 -2.518 -4.187 1.00 0.00 C ATOM 214 C PRO A 16 -5.786 -3.474 -3.163 1.00 0.00 C ATOM 215 O PRO A 16 -5.034 -4.378 -3.526 1.00 0.00 O ATOM 216 CB PRO A 16 -5.479 -1.368 -4.555 1.00 0.00 C ATOM 217 CG PRO A 16 -5.996 -0.159 -3.792 1.00 0.00 C ATOM 218 CD PRO A 16 -7.385 -0.494 -3.274 1.00 0.00 C ATOM 0 HA PRO A 16 -6.605 -3.141 -5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.448 -1.591 -4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.491 -1.186 -5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.329 0.085 -2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.031 0.716 -4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.446 -0.366 -2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.140 0.157 -3.715 1.00 0.00 H new ATOM 226 N CYS A 17 -6.127 -3.242 -1.904 1.00 0.00 N ATOM 227 CA CYS A 17 -5.617 -4.071 -0.825 1.00 0.00 C ATOM 228 C CYS A 17 -6.774 -4.906 -0.274 1.00 0.00 C ATOM 229 O CYS A 17 -6.671 -5.475 0.812 1.00 0.00 O ATOM 230 CB CYS A 17 -4.948 -3.232 0.265 1.00 0.00 C ATOM 231 SG CYS A 17 -3.759 -1.983 -0.348 1.00 0.00 S ATOM 0 H CYS A 17 -6.751 -2.491 -1.607 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.841 -4.734 -1.207 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.723 -2.724 0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.429 -3.901 0.951 1.00 0.00 H new ATOM 236 N GLU A 18 -7.848 -4.955 -1.047 1.00 0.00 N ATOM 237 CA GLU A 18 -9.023 -5.711 -0.650 1.00 0.00 C ATOM 238 C GLU A 18 -8.745 -7.213 -0.743 1.00 0.00 C ATOM 239 O GLU A 18 -8.996 -7.955 0.205 1.00 0.00 O ATOM 240 CB GLU A 18 -10.237 -5.325 -1.497 1.00 0.00 C ATOM 241 CG GLU A 18 -11.460 -5.061 -0.616 1.00 0.00 C ATOM 242 CD GLU A 18 -12.757 -5.292 -1.395 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.043 -4.456 -2.280 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.431 -6.298 -1.088 1.00 0.00 O ATOM 0 H GLU A 18 -7.929 -4.483 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.253 -5.467 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.008 -4.435 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.460 -6.124 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.433 -5.716 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.432 -4.036 -0.246 1.00 0.00 H new ATOM 251 N PRO A 19 -8.215 -7.626 -1.925 1.00 0.00 N ATOM 252 CA PRO A 19 -7.899 -9.026 -2.155 1.00 0.00 C ATOM 253 C PRO A 19 -6.629 -9.432 -1.404 1.00 0.00 C ATOM 254 O PRO A 19 -6.510 -10.568 -0.948 1.00 0.00 O ATOM 255 CB PRO A 19 -7.765 -9.157 -3.663 1.00 0.00 C ATOM 256 CG PRO A 19 -7.550 -7.746 -4.186 1.00 0.00 C ATOM 257 CD PRO A 19 -7.903 -6.776 -3.070 1.00 0.00 C ATOM 0 HA PRO A 19 -8.669 -9.698 -1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.927 -9.803 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.660 -9.603 -4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.515 -7.608 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.174 -7.564 -5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.072 -6.105 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.753 -6.151 -3.343 1.00 0.00 H new ATOM 265 N LEU A 20 -5.713 -8.481 -1.300 1.00 0.00 N ATOM 266 CA LEU A 20 -4.456 -8.726 -0.612 1.00 0.00 C ATOM 267 C LEU A 20 -4.740 -9.084 0.848 1.00 0.00 C ATOM 268 O LEU A 20 -4.364 -10.160 1.311 1.00 0.00 O ATOM 269 CB LEU A 20 -3.512 -7.533 -0.780 1.00 0.00 C ATOM 270 CG LEU A 20 -2.520 -7.297 0.360 1.00 0.00 C ATOM 271 CD1 LEU A 20 -1.381 -8.317 0.315 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.001 -5.858 0.347 1.00 0.00 C ATOM 0 H LEU A 20 -5.815 -7.540 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.939 -9.577 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.949 -7.668 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.114 -6.633 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.045 -7.441 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.690 -8.127 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.790 -9.323 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.851 -8.229 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.298 -5.717 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.498 -5.661 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.837 -5.169 0.464 1.00 0.00 H new ATOM 284 N THR A 21 -5.401 -8.162 1.533 1.00 0.00 N ATOM 285 CA THR A 21 -5.739 -8.368 2.931 1.00 0.00 C ATOM 286 C THR A 21 -6.446 -9.712 3.116 1.00 0.00 C ATOM 287 O THR A 21 -6.015 -10.538 3.918 1.00 0.00 O ATOM 288 CB THR A 21 -6.574 -7.173 3.395 1.00 0.00 C ATOM 289 OG1 THR A 21 -5.624 -6.119 3.535 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.131 -7.362 4.808 1.00 0.00 C ATOM 0 H THR A 21 -5.711 -7.271 1.146 1.00 0.00 H new ATOM 0 HA THR A 21 -4.844 -8.419 3.552 1.00 0.00 H new ATOM 0 HB THR A 21 -7.397 -7.013 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.653 -5.545 2.742 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.716 -6.486 5.089 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.768 -8.246 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.307 -7.488 5.510 1.00 0.00 H new ATOM 298 N ALA A 22 -7.521 -9.888 2.361 1.00 0.00 N ATOM 299 CA ALA A 22 -8.292 -11.118 2.432 1.00 0.00 C ATOM 300 C ALA A 22 -7.348 -12.315 2.298 1.00 0.00 C ATOM 301 O ALA A 22 -7.632 -13.394 2.815 1.00 0.00 O ATOM 302 CB ALA A 22 -9.374 -11.105 1.351 1.00 0.00 C ATOM 0 H ALA A 22 -7.876 -9.200 1.697 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.795 -11.201 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.952 -12.027 1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.035 -10.253 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.907 -11.026 0.369 1.00 0.00 H new ATOM 308 N CYS A 23 -6.245 -12.083 1.601 1.00 0.00 N ATOM 309 CA CYS A 23 -5.258 -13.129 1.392 1.00 0.00 C ATOM 310 C CYS A 23 -4.595 -13.438 2.736 1.00 0.00 C ATOM 311 O CYS A 23 -4.490 -14.600 3.127 1.00 0.00 O ATOM 312 CB CYS A 23 -4.233 -12.735 0.327 1.00 0.00 C ATOM 313 SG CYS A 23 -3.539 -14.136 -0.625 1.00 0.00 S ATOM 0 H CYS A 23 -6.013 -11.186 1.174 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.749 -14.026 1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.702 -12.038 -0.368 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.415 -12.201 0.810 1.00 0.00 H new ATOM 318 N LYS A 24 -4.165 -12.379 3.405 1.00 0.00 N ATOM 319 CA LYS A 24 -3.515 -12.523 4.697 1.00 0.00 C ATOM 320 C LYS A 24 -4.475 -13.205 5.673 1.00 0.00 C ATOM 321 O LYS A 24 -4.106 -14.173 6.337 1.00 0.00 O ATOM 322 CB LYS A 24 -2.996 -11.170 5.189 1.00 0.00 C ATOM 323 CG LYS A 24 -1.675 -10.809 4.507 1.00 0.00 C ATOM 324 CD LYS A 24 -1.490 -9.291 4.439 1.00 0.00 C ATOM 325 CE LYS A 24 -0.735 -8.776 5.667 1.00 0.00 C ATOM 326 NZ LYS A 24 -1.634 -7.977 6.529 1.00 0.00 N ATOM 0 H LYS A 24 -4.254 -11.417 3.077 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.637 -13.164 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.737 -10.397 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.855 -11.202 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.845 -11.256 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.655 -11.227 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.943 -9.028 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.463 -8.805 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.331 -9.616 6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.112 -8.167 5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.107 -7.635 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.999 -7.165 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.429 -8.569 6.845 1.00 0.00 H new ATOM 340 N GLU A 25 -5.687 -12.674 5.729 1.00 0.00 N ATOM 341 CA GLU A 25 -6.703 -13.220 6.613 1.00 0.00 C ATOM 342 C GLU A 25 -6.898 -14.713 6.340 1.00 0.00 C ATOM 343 O GLU A 25 -6.548 -15.551 7.169 1.00 0.00 O ATOM 344 CB GLU A 25 -8.022 -12.459 6.469 1.00 0.00 C ATOM 345 CG GLU A 25 -8.385 -11.739 7.769 1.00 0.00 C ATOM 346 CD GLU A 25 -9.276 -12.615 8.652 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.344 -13.026 8.149 1.00 0.00 O ATOM 348 OE2 GLU A 25 -8.869 -12.854 9.809 1.00 0.00 O ATOM 0 H GLU A 25 -5.989 -11.871 5.177 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.364 -13.100 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.941 -11.735 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.818 -13.152 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.476 -11.478 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.899 -10.806 7.540 1.00 0.00 H new ATOM 355 N LYS A 26 -7.457 -15.000 5.173 1.00 0.00 N ATOM 356 CA LYS A 26 -7.704 -16.376 4.779 1.00 0.00 C ATOM 357 C LYS A 26 -6.517 -17.244 5.205 1.00 0.00 C ATOM 358 O LYS A 26 -6.699 -18.293 5.820 1.00 0.00 O ATOM 359 CB LYS A 26 -8.021 -16.458 3.285 1.00 0.00 C ATOM 360 CG LYS A 26 -9.087 -17.519 3.008 1.00 0.00 C ATOM 361 CD LYS A 26 -10.067 -17.044 1.933 1.00 0.00 C ATOM 362 CE LYS A 26 -10.864 -18.218 1.360 1.00 0.00 C ATOM 363 NZ LYS A 26 -11.380 -17.886 0.013 1.00 0.00 N ATOM 0 H LYS A 26 -7.746 -14.302 4.488 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.585 -16.766 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.368 -15.488 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.114 -16.695 2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.609 -18.444 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.630 -17.743 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.750 -16.309 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.521 -16.546 1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.230 -19.103 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.694 -18.461 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.918 -18.693 -0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.001 -17.054 0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.583 -17.677 -0.622 1.00 0.00 H new ATOM 377 N CYS A 27 -5.327 -16.774 4.859 1.00 0.00 N ATOM 378 CA CYS A 27 -4.111 -17.493 5.197 1.00 0.00 C ATOM 379 C CYS A 27 -4.021 -17.595 6.721 1.00 0.00 C ATOM 380 O CYS A 27 -3.838 -18.684 7.264 1.00 0.00 O ATOM 381 CB CYS A 27 -2.873 -16.825 4.596 1.00 0.00 C ATOM 382 SG CYS A 27 -2.820 -16.811 2.767 1.00 0.00 S ATOM 0 H CYS A 27 -5.180 -15.904 4.348 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.147 -18.494 4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.822 -15.797 4.955 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.985 -17.337 4.967 1.00 0.00 H new ATOM 387 N ALA A 28 -4.155 -16.447 7.368 1.00 0.00 N ATOM 388 CA ALA A 28 -4.091 -16.393 8.819 1.00 0.00 C ATOM 389 C ALA A 28 -5.005 -17.470 9.405 1.00 0.00 C ATOM 390 O ALA A 28 -4.615 -18.187 10.326 1.00 0.00 O ATOM 391 CB ALA A 28 -4.465 -14.988 9.295 1.00 0.00 C ATOM 0 H ALA A 28 -4.308 -15.546 6.914 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.078 -16.595 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.417 -14.948 10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.768 -14.264 8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.477 -14.750 8.967 1.00 0.00 H new ATOM 397 N GLU A 29 -6.205 -17.551 8.849 1.00 0.00 N ATOM 398 CA GLU A 29 -7.178 -18.528 9.305 1.00 0.00 C ATOM 399 C GLU A 29 -6.648 -19.947 9.087 1.00 0.00 C ATOM 400 O GLU A 29 -6.538 -20.725 10.033 1.00 0.00 O ATOM 401 CB GLU A 29 -8.523 -18.332 8.604 1.00 0.00 C ATOM 402 CG GLU A 29 -9.379 -17.297 9.337 1.00 0.00 C ATOM 403 CD GLU A 29 -9.734 -17.779 10.746 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.198 -18.935 10.850 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.532 -16.980 11.686 1.00 0.00 O ATOM 0 H GLU A 29 -6.525 -16.955 8.086 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.338 -18.380 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.358 -18.010 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.055 -19.282 8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.841 -16.351 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.292 -17.109 8.772 1.00 0.00 H new ATOM 412 N SER A 30 -6.333 -20.240 7.834 1.00 0.00 N ATOM 413 CA SER A 30 -5.817 -21.551 7.479 1.00 0.00 C ATOM 414 C SER A 30 -4.552 -21.851 8.286 1.00 0.00 C ATOM 415 O SER A 30 -4.216 -23.013 8.512 1.00 0.00 O ATOM 416 CB SER A 30 -5.524 -21.641 5.980 1.00 0.00 C ATOM 417 OG SER A 30 -6.122 -22.791 5.387 1.00 0.00 O ATOM 0 H SER A 30 -6.425 -19.592 7.052 1.00 0.00 H new ATOM 0 HA SER A 30 -6.578 -22.294 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.894 -20.744 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.446 -21.671 5.823 1.00 0.00 H new ATOM 0 HG SER A 30 -5.913 -22.811 4.430 1.00 0.00 H new ATOM 423 N CYS A 31 -3.884 -20.784 8.699 1.00 0.00 N ATOM 424 CA CYS A 31 -2.664 -20.918 9.475 1.00 0.00 C ATOM 425 C CYS A 31 -2.990 -20.614 10.939 1.00 0.00 C ATOM 426 O CYS A 31 -2.289 -19.836 11.586 1.00 0.00 O ATOM 427 CB CYS A 31 -1.549 -20.017 8.939 1.00 0.00 C ATOM 428 SG CYS A 31 -0.908 -20.488 7.291 1.00 0.00 S ATOM 0 H CYS A 31 -4.165 -19.822 8.510 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.288 -21.938 9.392 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.920 -18.993 8.890 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.723 -20.023 9.650 1.00 0.00 H new ATOM 433 N GLU A 32 -4.053 -21.242 11.418 1.00 0.00 N ATOM 434 CA GLU A 32 -4.480 -21.048 12.793 1.00 0.00 C ATOM 435 C GLU A 32 -3.742 -22.017 13.720 1.00 0.00 C ATOM 436 O GLU A 32 -3.063 -21.592 14.653 1.00 0.00 O ATOM 437 CB GLU A 32 -5.996 -21.211 12.925 1.00 0.00 C ATOM 438 CG GLU A 32 -6.673 -19.861 13.171 1.00 0.00 C ATOM 439 CD GLU A 32 -6.478 -19.406 14.619 1.00 0.00 C ATOM 440 OE1 GLU A 32 -5.313 -19.432 15.070 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.499 -19.042 15.241 1.00 0.00 O ATOM 0 H GLU A 32 -4.632 -21.886 10.878 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.230 -20.030 13.090 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.397 -21.663 12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.222 -21.890 13.747 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.260 -19.114 12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.738 -19.938 12.951 1.00 0.00 H new ATOM 448 N THR A 33 -3.901 -23.300 13.430 1.00 0.00 N ATOM 449 CA THR A 33 -3.259 -24.332 14.226 1.00 0.00 C ATOM 450 C THR A 33 -1.757 -24.371 13.936 1.00 0.00 C ATOM 451 O THR A 33 -0.969 -24.792 14.781 1.00 0.00 O ATOM 452 CB THR A 33 -3.968 -25.657 13.942 1.00 0.00 C ATOM 453 OG1 THR A 33 -3.520 -26.018 12.638 1.00 0.00 O ATOM 454 CG2 THR A 33 -5.480 -25.490 13.785 1.00 0.00 C ATOM 0 H THR A 33 -4.465 -23.648 12.655 1.00 0.00 H new ATOM 0 HA THR A 33 -3.347 -24.122 15.292 1.00 0.00 H new ATOM 0 HB THR A 33 -3.763 -26.359 14.750 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.930 -26.868 12.375 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.934 -26.460 13.585 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.898 -25.076 14.703 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.687 -24.814 12.955 1.00 0.00 H new ATOM 462 N SER A 34 -1.406 -23.928 12.738 1.00 0.00 N ATOM 463 CA SER A 34 -0.013 -23.907 12.325 1.00 0.00 C ATOM 464 C SER A 34 0.853 -23.313 13.438 1.00 0.00 C ATOM 465 O SER A 34 0.581 -22.215 13.921 1.00 0.00 O ATOM 466 CB SER A 34 0.166 -23.112 11.030 1.00 0.00 C ATOM 467 OG SER A 34 0.058 -23.941 9.876 1.00 0.00 O ATOM 0 H SER A 34 -2.063 -23.580 12.039 1.00 0.00 H new ATOM 0 HA SER A 34 0.304 -24.933 12.135 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.585 -22.324 10.982 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.141 -22.624 11.036 1.00 0.00 H new ATOM 0 HG SER A 34 -0.298 -23.416 9.129 1.00 0.00 H new ATOM 473 N ALA A 35 1.879 -24.064 13.810 1.00 0.00 N ATOM 474 CA ALA A 35 2.786 -23.625 14.857 1.00 0.00 C ATOM 475 C ALA A 35 3.441 -22.307 14.438 1.00 0.00 C ATOM 476 O ALA A 35 3.188 -21.265 15.042 1.00 0.00 O ATOM 477 CB ALA A 35 3.814 -24.724 15.135 1.00 0.00 C ATOM 0 H ALA A 35 2.102 -24.973 13.405 1.00 0.00 H new ATOM 0 HA ALA A 35 2.243 -23.444 15.785 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.495 -24.395 15.920 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.300 -25.630 15.456 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.380 -24.931 14.227 1.00 0.00 H new ATOM 483 N ASP A 36 4.269 -22.395 13.408 1.00 0.00 N ATOM 484 CA ASP A 36 4.962 -21.223 12.902 1.00 0.00 C ATOM 485 C ASP A 36 3.964 -20.323 12.169 1.00 0.00 C ATOM 486 O ASP A 36 3.975 -20.248 10.942 1.00 0.00 O ATOM 487 CB ASP A 36 6.059 -21.616 11.911 1.00 0.00 C ATOM 488 CG ASP A 36 6.844 -22.876 12.282 1.00 0.00 C ATOM 489 OD1 ASP A 36 7.033 -23.089 13.499 1.00 0.00 O ATOM 490 OD2 ASP A 36 7.237 -23.597 11.340 1.00 0.00 O ATOM 0 H ASP A 36 4.476 -23.261 12.910 1.00 0.00 H new ATOM 0 HA ASP A 36 5.411 -20.705 13.750 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.606 -21.764 10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.758 -20.785 11.817 1.00 0.00 H new ATOM 495 N LYS A 37 3.125 -19.662 12.954 1.00 0.00 N ATOM 496 CA LYS A 37 2.123 -18.770 12.396 1.00 0.00 C ATOM 497 C LYS A 37 2.814 -17.700 11.548 1.00 0.00 C ATOM 498 O LYS A 37 2.489 -17.527 10.375 1.00 0.00 O ATOM 499 CB LYS A 37 1.237 -18.199 13.504 1.00 0.00 C ATOM 500 CG LYS A 37 0.065 -19.136 13.807 1.00 0.00 C ATOM 501 CD LYS A 37 -0.975 -18.445 14.691 1.00 0.00 C ATOM 502 CE LYS A 37 -1.903 -17.560 13.856 1.00 0.00 C ATOM 503 NZ LYS A 37 -2.227 -16.315 14.587 1.00 0.00 N ATOM 0 H LYS A 37 3.119 -19.727 13.972 1.00 0.00 H new ATOM 0 HA LYS A 37 1.452 -19.318 11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.829 -18.048 14.407 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.858 -17.222 13.204 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.400 -19.456 12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.432 -20.034 14.305 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.562 -19.194 15.222 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.472 -17.841 15.446 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.427 -17.318 12.906 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.820 -18.102 13.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.857 -15.726 14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.701 -16.551 15.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.351 -15.792 14.787 1.00 0.00 H new ATOM 517 N LYS A 38 3.755 -17.010 12.176 1.00 0.00 N ATOM 518 CA LYS A 38 4.495 -15.962 11.494 1.00 0.00 C ATOM 519 C LYS A 38 4.895 -16.449 10.100 1.00 0.00 C ATOM 520 O LYS A 38 4.473 -15.880 9.095 1.00 0.00 O ATOM 521 CB LYS A 38 5.678 -15.500 12.347 1.00 0.00 C ATOM 522 CG LYS A 38 5.942 -14.005 12.155 1.00 0.00 C ATOM 523 CD LYS A 38 4.841 -13.166 12.808 1.00 0.00 C ATOM 524 CE LYS A 38 5.422 -12.230 13.870 1.00 0.00 C ATOM 525 NZ LYS A 38 4.430 -11.981 14.939 1.00 0.00 N ATOM 0 H LYS A 38 4.022 -17.156 13.150 1.00 0.00 H new ATOM 0 HA LYS A 38 3.868 -15.081 11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.475 -15.705 13.398 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.569 -16.068 12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.908 -13.744 12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.997 -13.775 11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.324 -12.582 12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.100 -13.823 13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.323 -12.670 14.297 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.715 -11.286 13.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.840 -11.344 15.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.581 -11.542 14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.171 -12.882 15.389 1.00 0.00 H new ATOM 539 N THR A 39 5.703 -17.499 10.084 1.00 0.00 N ATOM 540 CA THR A 39 6.165 -18.069 8.830 1.00 0.00 C ATOM 541 C THR A 39 4.977 -18.381 7.918 1.00 0.00 C ATOM 542 O THR A 39 4.863 -17.822 6.828 1.00 0.00 O ATOM 543 CB THR A 39 7.020 -19.295 9.155 1.00 0.00 C ATOM 544 OG1 THR A 39 8.033 -18.792 10.021 1.00 0.00 O ATOM 545 CG2 THR A 39 7.792 -19.810 7.938 1.00 0.00 C ATOM 0 H THR A 39 6.050 -17.970 10.920 1.00 0.00 H new ATOM 0 HA THR A 39 6.783 -17.362 8.277 1.00 0.00 H new ATOM 0 HB THR A 39 6.382 -20.089 9.543 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.632 -19.522 10.283 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.383 -20.681 8.223 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.089 -20.090 7.153 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.455 -19.027 7.570 1.00 0.00 H new ATOM 553 N CYS A 40 4.122 -19.274 8.396 1.00 0.00 N ATOM 554 CA CYS A 40 2.948 -19.667 7.637 1.00 0.00 C ATOM 555 C CYS A 40 2.317 -18.407 7.040 1.00 0.00 C ATOM 556 O CYS A 40 2.188 -18.290 5.823 1.00 0.00 O ATOM 557 CB CYS A 40 1.953 -20.449 8.498 1.00 0.00 C ATOM 558 SG CYS A 40 0.796 -21.512 7.560 1.00 0.00 S ATOM 0 H CYS A 40 4.220 -19.736 9.300 1.00 0.00 H new ATOM 0 HA CYS A 40 3.242 -20.342 6.833 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.511 -21.072 9.198 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.374 -19.742 9.092 1.00 0.00 H new ATOM 563 N ARG A 41 1.942 -17.495 7.925 1.00 0.00 N ATOM 564 CA ARG A 41 1.328 -16.248 7.501 1.00 0.00 C ATOM 565 C ARG A 41 2.162 -15.595 6.397 1.00 0.00 C ATOM 566 O ARG A 41 1.675 -15.389 5.286 1.00 0.00 O ATOM 567 CB ARG A 41 1.194 -15.274 8.673 1.00 0.00 C ATOM 568 CG ARG A 41 -0.025 -15.614 9.532 1.00 0.00 C ATOM 569 CD ARG A 41 -0.826 -14.354 9.869 1.00 0.00 C ATOM 570 NE ARG A 41 0.038 -13.375 10.565 1.00 0.00 N ATOM 571 CZ ARG A 41 -0.399 -12.217 11.077 1.00 0.00 C ATOM 572 NH1 ARG A 41 -1.694 -11.886 10.974 1.00 0.00 N ATOM 573 NH2 ARG A 41 0.457 -11.390 11.691 1.00 0.00 N ATOM 0 H ARG A 41 2.052 -17.595 8.934 1.00 0.00 H new ATOM 0 HA ARG A 41 0.333 -16.480 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.096 -15.309 9.285 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.105 -14.255 8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.661 -16.323 9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.298 -16.101 10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.227 -13.913 8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.677 -14.612 10.499 1.00 0.00 H new ATOM 0 HE ARG A 41 1.029 -13.596 10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.346 -12.516 10.506 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.028 -11.004 11.364 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.442 -11.642 11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.124 -10.508 12.081 1.00 0.00 H new ATOM 587 N ARG A 42 3.404 -15.288 6.740 1.00 0.00 N ATOM 588 CA ARG A 42 4.310 -14.663 5.792 1.00 0.00 C ATOM 589 C ARG A 42 4.313 -15.437 4.472 1.00 0.00 C ATOM 590 O ARG A 42 4.446 -14.845 3.401 1.00 0.00 O ATOM 591 CB ARG A 42 5.735 -14.607 6.345 1.00 0.00 C ATOM 592 CG ARG A 42 6.063 -13.210 6.876 1.00 0.00 C ATOM 593 CD ARG A 42 6.678 -13.285 8.275 1.00 0.00 C ATOM 594 NE ARG A 42 6.695 -11.940 8.892 1.00 0.00 N ATOM 595 CZ ARG A 42 7.516 -11.582 9.889 1.00 0.00 C ATOM 596 NH1 ARG A 42 8.391 -12.466 10.387 1.00 0.00 N ATOM 597 NH2 ARG A 42 7.461 -10.339 10.388 1.00 0.00 N ATOM 0 H ARG A 42 3.804 -15.461 7.662 1.00 0.00 H new ATOM 0 HA ARG A 42 3.959 -13.645 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.848 -15.339 7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.444 -14.878 5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.755 -12.712 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.156 -12.606 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.105 -13.972 8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.692 -13.680 8.215 1.00 0.00 H new ATOM 0 HE ARG A 42 6.041 -11.242 8.536 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.432 -13.412 10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.016 -12.193 11.146 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.795 -9.666 10.009 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.086 -10.066 11.147 1.00 0.00 H new ATOM 611 N ASN A 43 4.166 -16.748 4.591 1.00 0.00 N ATOM 612 CA ASN A 43 4.150 -17.609 3.420 1.00 0.00 C ATOM 613 C ASN A 43 2.940 -17.259 2.551 1.00 0.00 C ATOM 614 O ASN A 43 2.968 -17.449 1.336 1.00 0.00 O ATOM 615 CB ASN A 43 4.034 -19.081 3.821 1.00 0.00 C ATOM 616 CG ASN A 43 4.875 -19.968 2.900 1.00 0.00 C ATOM 617 OD1 ASN A 43 4.555 -20.185 1.743 1.00 0.00 O ATOM 618 ND2 ASN A 43 5.965 -20.465 3.476 1.00 0.00 N ATOM 0 H ASN A 43 4.057 -17.235 5.480 1.00 0.00 H new ATOM 0 HA ASN A 43 5.082 -17.455 2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.362 -19.208 4.853 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.990 -19.392 3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.593 -21.068 2.945 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.174 -20.243 4.449 1.00 0.00 H new ATOM 625 N CYS A 44 1.907 -16.753 3.208 1.00 0.00 N ATOM 626 CA CYS A 44 0.690 -16.374 2.511 1.00 0.00 C ATOM 627 C CYS A 44 1.080 -15.642 1.225 1.00 0.00 C ATOM 628 O CYS A 44 0.535 -15.919 0.158 1.00 0.00 O ATOM 629 CB CYS A 44 -0.228 -15.527 3.394 1.00 0.00 C ATOM 630 SG CYS A 44 -1.771 -14.968 2.584 1.00 0.00 S ATOM 0 H CYS A 44 1.888 -16.597 4.216 1.00 0.00 H new ATOM 0 HA CYS A 44 0.119 -17.268 2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.489 -16.104 4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.325 -14.651 3.734 1.00 0.00 H new ATOM 635 N LYS A 45 2.022 -14.721 1.370 1.00 0.00 N ATOM 636 CA LYS A 45 2.492 -13.946 0.234 1.00 0.00 C ATOM 637 C LYS A 45 3.057 -14.895 -0.825 1.00 0.00 C ATOM 638 O LYS A 45 2.766 -14.750 -2.012 1.00 0.00 O ATOM 639 CB LYS A 45 3.482 -12.873 0.690 1.00 0.00 C ATOM 640 CG LYS A 45 3.160 -11.522 0.049 1.00 0.00 C ATOM 641 CD LYS A 45 3.303 -10.386 1.064 1.00 0.00 C ATOM 642 CE LYS A 45 1.933 -9.850 1.484 1.00 0.00 C ATOM 643 NZ LYS A 45 1.577 -10.339 2.835 1.00 0.00 N ATOM 0 H LYS A 45 2.472 -14.494 2.257 1.00 0.00 H new ATOM 0 HA LYS A 45 1.665 -13.407 -0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.450 -12.781 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.496 -13.173 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.828 -11.347 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.144 -11.536 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.842 -10.743 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.896 -9.580 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.945 -8.760 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.177 -10.166 0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.547 -10.473 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.055 -11.245 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.878 -9.643 3.547 1.00 0.00 H new ATOM 657 N LYS A 46 3.855 -15.844 -0.359 1.00 0.00 N ATOM 658 CA LYS A 46 4.464 -16.816 -1.251 1.00 0.00 C ATOM 659 C LYS A 46 3.400 -17.815 -1.712 1.00 0.00 C ATOM 660 O LYS A 46 3.661 -18.651 -2.576 1.00 0.00 O ATOM 661 CB LYS A 46 5.675 -17.470 -0.585 1.00 0.00 C ATOM 662 CG LYS A 46 6.937 -16.632 -0.797 1.00 0.00 C ATOM 663 CD LYS A 46 7.464 -16.786 -2.225 1.00 0.00 C ATOM 664 CE LYS A 46 8.800 -16.060 -2.398 1.00 0.00 C ATOM 665 NZ LYS A 46 9.701 -16.837 -3.278 1.00 0.00 N ATOM 0 H LYS A 46 4.094 -15.961 0.626 1.00 0.00 H new ATOM 0 HA LYS A 46 4.849 -16.325 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.488 -17.588 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.824 -18.469 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.719 -15.583 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.705 -16.939 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.588 -17.843 -2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.735 -16.387 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.631 -15.071 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.270 -15.913 -1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.603 -16.331 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.876 -17.772 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.258 -16.955 -4.211 1.00 0.00 H new ATOM 679 N ALA A 47 2.224 -17.695 -1.114 1.00 0.00 N ATOM 680 CA ALA A 47 1.120 -18.578 -1.452 1.00 0.00 C ATOM 681 C ALA A 47 0.539 -18.165 -2.806 1.00 0.00 C ATOM 682 O ALA A 47 0.554 -18.947 -3.756 1.00 0.00 O ATOM 683 CB ALA A 47 0.076 -18.541 -0.335 1.00 0.00 C ATOM 0 H ALA A 47 2.011 -17.000 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 47 1.466 -19.608 -1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.752 -19.203 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.531 -18.870 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.296 -17.523 -0.218 1.00 0.00 H new ATOM 689 N ASP A 48 0.041 -16.938 -2.852 1.00 0.00 N ATOM 690 CA ASP A 48 -0.543 -16.413 -4.074 1.00 0.00 C ATOM 691 C ASP A 48 -1.031 -14.984 -3.827 1.00 0.00 C ATOM 692 O ASP A 48 -2.095 -14.595 -4.307 1.00 0.00 O ATOM 693 CB ASP A 48 -1.744 -17.252 -4.516 1.00 0.00 C ATOM 694 CG ASP A 48 -1.405 -18.440 -5.418 1.00 0.00 C ATOM 695 OD1 ASP A 48 -0.719 -18.202 -6.436 1.00 0.00 O ATOM 696 OD2 ASP A 48 -1.840 -19.559 -5.070 1.00 0.00 O ATOM 0 H ASP A 48 0.030 -16.292 -2.062 1.00 0.00 H new ATOM 0 HA ASP A 48 0.221 -16.439 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.255 -17.624 -3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.447 -16.605 -5.041 1.00 0.00 H new ATOM 701 N CYS A 49 -0.230 -14.240 -3.079 1.00 0.00 N ATOM 702 CA CYS A 49 -0.566 -12.862 -2.763 1.00 0.00 C ATOM 703 C CYS A 49 0.587 -11.968 -3.224 1.00 0.00 C ATOM 704 O CYS A 49 0.809 -10.896 -2.662 1.00 0.00 O ATOM 705 CB CYS A 49 -0.869 -12.681 -1.274 1.00 0.00 C ATOM 706 SG CYS A 49 -1.571 -14.156 -0.449 1.00 0.00 S ATOM 0 H CYS A 49 0.651 -14.566 -2.682 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.477 -12.577 -3.289 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.051 -12.399 -0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.566 -11.851 -1.158 1.00 0.00 H new ATOM 711 N GLU A 50 1.290 -12.442 -4.242 1.00 0.00 N ATOM 712 CA GLU A 50 2.415 -11.699 -4.785 1.00 0.00 C ATOM 713 C GLU A 50 1.916 -10.522 -5.627 1.00 0.00 C ATOM 714 O GLU A 50 2.384 -9.396 -5.465 1.00 0.00 O ATOM 715 CB GLU A 50 3.330 -12.610 -5.604 1.00 0.00 C ATOM 716 CG GLU A 50 4.559 -13.025 -4.792 1.00 0.00 C ATOM 717 CD GLU A 50 5.845 -12.804 -5.591 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.983 -11.693 -6.148 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.660 -13.750 -5.628 1.00 0.00 O ATOM 0 H GLU A 50 1.103 -13.331 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 50 3.000 -11.305 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.780 -13.497 -5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.646 -12.094 -6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.599 -12.451 -3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.477 -14.075 -4.512 1.00 0.00 H new ATOM 726 N PRO A 51 0.949 -10.832 -6.532 1.00 0.00 N ATOM 727 CA PRO A 51 0.383 -9.814 -7.400 1.00 0.00 C ATOM 728 C PRO A 51 -0.580 -8.909 -6.628 1.00 0.00 C ATOM 729 O PRO A 51 -0.658 -7.711 -6.892 1.00 0.00 O ATOM 730 CB PRO A 51 -0.296 -10.585 -8.520 1.00 0.00 C ATOM 731 CG PRO A 51 -0.486 -12.000 -7.996 1.00 0.00 C ATOM 732 CD PRO A 51 0.371 -12.155 -6.751 1.00 0.00 C ATOM 0 HA PRO A 51 1.137 -9.137 -7.801 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.253 -10.133 -8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.315 -10.581 -9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.535 -12.183 -7.763 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.196 -12.729 -8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.226 -12.473 -5.896 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.147 -12.907 -6.895 1.00 0.00 H new ATOM 740 N GLN A 52 -1.289 -9.518 -5.689 1.00 0.00 N ATOM 741 CA GLN A 52 -2.244 -8.783 -4.877 1.00 0.00 C ATOM 742 C GLN A 52 -1.523 -7.730 -4.033 1.00 0.00 C ATOM 743 O GLN A 52 -1.909 -6.562 -4.028 1.00 0.00 O ATOM 744 CB GLN A 52 -3.057 -9.731 -3.993 1.00 0.00 C ATOM 745 CG GLN A 52 -3.926 -10.661 -4.842 1.00 0.00 C ATOM 746 CD GLN A 52 -4.728 -11.620 -3.959 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.315 -11.239 -2.959 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.720 -12.880 -4.382 1.00 0.00 N ATOM 0 H GLN A 52 -1.221 -10.512 -5.472 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.940 -8.273 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.384 -10.322 -3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.688 -9.153 -3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.607 -10.070 -5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.296 -11.231 -5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.208 -13.131 -5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.226 -13.596 -3.861 1.00 0.00 H new ATOM 757 N ASP A 53 -0.488 -8.181 -3.339 1.00 0.00 N ATOM 758 CA ASP A 53 0.291 -7.293 -2.493 1.00 0.00 C ATOM 759 C ASP A 53 0.841 -6.143 -3.339 1.00 0.00 C ATOM 760 O ASP A 53 0.944 -5.013 -2.865 1.00 0.00 O ATOM 761 CB ASP A 53 1.476 -8.028 -1.866 1.00 0.00 C ATOM 762 CG ASP A 53 2.093 -7.339 -0.647 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.304 -6.811 0.166 1.00 0.00 O ATOM 764 OD2 ASP A 53 3.340 -7.357 -0.555 1.00 0.00 O ATOM 0 H ASP A 53 -0.171 -9.150 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.361 -6.922 -1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.152 -9.027 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.249 -8.153 -2.624 1.00 0.00 H new ATOM 769 N LYS A 54 1.181 -6.471 -4.577 1.00 0.00 N ATOM 770 CA LYS A 54 1.719 -5.480 -5.493 1.00 0.00 C ATOM 771 C LYS A 54 0.663 -4.402 -5.749 1.00 0.00 C ATOM 772 O LYS A 54 0.878 -3.232 -5.437 1.00 0.00 O ATOM 773 CB LYS A 54 2.232 -6.152 -6.768 1.00 0.00 C ATOM 774 CG LYS A 54 3.670 -6.643 -6.589 1.00 0.00 C ATOM 775 CD LYS A 54 4.341 -6.883 -7.943 1.00 0.00 C ATOM 776 CE LYS A 54 5.492 -7.883 -7.814 1.00 0.00 C ATOM 777 NZ LYS A 54 5.718 -8.580 -9.100 1.00 0.00 N ATOM 0 H LYS A 54 1.094 -7.409 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 54 2.583 -4.983 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.587 -6.992 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.185 -5.448 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.241 -5.908 -6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.673 -7.566 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.607 -7.258 -8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.717 -5.940 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.401 -7.364 -7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.265 -8.610 -7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.502 -9.255 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.855 -9.091 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.956 -7.884 -9.835 1.00 0.00 H new ATOM 791 N VAL A 55 -0.454 -4.836 -6.314 1.00 0.00 N ATOM 792 CA VAL A 55 -1.544 -3.922 -6.615 1.00 0.00 C ATOM 793 C VAL A 55 -1.760 -2.984 -5.426 1.00 0.00 C ATOM 794 O VAL A 55 -2.149 -1.831 -5.604 1.00 0.00 O ATOM 795 CB VAL A 55 -2.800 -4.712 -6.989 1.00 0.00 C ATOM 796 CG1 VAL A 55 -4.004 -3.782 -7.149 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.572 -5.536 -8.258 1.00 0.00 C ATOM 0 H VAL A 55 -0.628 -5.808 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.297 -3.302 -7.477 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.016 -5.404 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.884 -4.368 -7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.187 -3.259 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.801 -3.056 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.480 -6.088 -8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.319 -4.871 -9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.754 -6.238 -8.094 1.00 0.00 H new ATOM 807 N CYS A 56 -1.497 -3.513 -4.240 1.00 0.00 N ATOM 808 CA CYS A 56 -1.658 -2.737 -3.022 1.00 0.00 C ATOM 809 C CYS A 56 -0.517 -1.720 -2.946 1.00 0.00 C ATOM 810 O CYS A 56 -0.752 -0.533 -2.727 1.00 0.00 O ATOM 811 CB CYS A 56 -1.708 -3.633 -1.783 1.00 0.00 C ATOM 812 SG CYS A 56 -1.921 -2.741 -0.199 1.00 0.00 S ATOM 0 H CYS A 56 -1.173 -4.470 -4.097 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.612 -2.210 -3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.528 -4.342 -1.898 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.788 -4.215 -1.735 1.00 0.00 H new ATOM 817 N ASP A 57 0.695 -2.224 -3.131 1.00 0.00 N ATOM 818 CA ASP A 57 1.873 -1.375 -3.087 1.00 0.00 C ATOM 819 C ASP A 57 1.688 -0.203 -4.053 1.00 0.00 C ATOM 820 O ASP A 57 1.678 0.955 -3.636 1.00 0.00 O ATOM 821 CB ASP A 57 3.124 -2.146 -3.512 1.00 0.00 C ATOM 822 CG ASP A 57 4.450 -1.452 -3.195 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.416 -0.214 -3.021 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.468 -2.174 -3.135 1.00 0.00 O ATOM 0 H ASP A 57 0.886 -3.210 -3.312 1.00 0.00 H new ATOM 0 HA ASP A 57 1.997 -1.023 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.115 -3.120 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.074 -2.327 -4.586 1.00 0.00 H new ATOM 829 N ALA A 58 1.547 -0.543 -5.325 1.00 0.00 N ATOM 830 CA ALA A 58 1.364 0.467 -6.354 1.00 0.00 C ATOM 831 C ALA A 58 0.425 1.556 -5.832 1.00 0.00 C ATOM 832 O ALA A 58 0.719 2.744 -5.953 1.00 0.00 O ATOM 833 CB ALA A 58 0.838 -0.194 -7.630 1.00 0.00 C ATOM 0 H ALA A 58 1.556 -1.504 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 58 2.314 0.941 -6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.701 0.563 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.555 -0.939 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.116 -0.678 -7.422 1.00 0.00 H new ATOM 839 N CYS A 59 -0.685 1.112 -5.261 1.00 0.00 N ATOM 840 CA CYS A 59 -1.669 2.035 -4.720 1.00 0.00 C ATOM 841 C CYS A 59 -0.962 2.968 -3.736 1.00 0.00 C ATOM 842 O CYS A 59 -0.999 4.187 -3.895 1.00 0.00 O ATOM 843 CB CYS A 59 -2.838 1.295 -4.066 1.00 0.00 C ATOM 844 SG CYS A 59 -4.219 2.368 -3.527 1.00 0.00 S ATOM 0 H CYS A 59 -0.925 0.126 -5.161 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.103 2.623 -5.528 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.223 0.558 -4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.464 0.746 -3.202 1.00 0.00 H new ATOM 849 N ARG A 60 -0.333 2.360 -2.741 1.00 0.00 N ATOM 850 CA ARG A 60 0.382 3.122 -1.731 1.00 0.00 C ATOM 851 C ARG A 60 1.438 4.013 -2.387 1.00 0.00 C ATOM 852 O ARG A 60 1.757 5.085 -1.874 1.00 0.00 O ATOM 853 CB ARG A 60 1.063 2.196 -0.721 1.00 0.00 C ATOM 854 CG ARG A 60 0.037 1.308 -0.013 1.00 0.00 C ATOM 855 CD ARG A 60 0.555 0.853 1.352 1.00 0.00 C ATOM 856 NE ARG A 60 -0.189 -0.344 1.803 1.00 0.00 N ATOM 857 CZ ARG A 60 0.126 -1.059 2.891 1.00 0.00 C ATOM 858 NH1 ARG A 60 1.174 -0.703 3.647 1.00 0.00 N ATOM 859 NH2 ARG A 60 -0.606 -2.131 3.224 1.00 0.00 N ATOM 0 H ARG A 60 -0.304 1.349 -2.613 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.346 3.741 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.798 1.573 -1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.605 2.790 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.897 1.855 0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.184 0.438 -0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.620 0.627 1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.442 1.657 2.079 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.992 -0.644 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.732 0.113 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.414 -1.248 4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.403 -2.403 2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.366 -2.675 4.053 1.00 0.00 H new ATOM 873 N MET A 61 1.952 3.538 -3.512 1.00 0.00 N ATOM 874 CA MET A 61 2.965 4.278 -4.244 1.00 0.00 C ATOM 875 C MET A 61 2.349 5.469 -4.981 1.00 0.00 C ATOM 876 O MET A 61 2.936 6.549 -5.023 1.00 0.00 O ATOM 877 CB MET A 61 3.647 3.351 -5.252 1.00 0.00 C ATOM 878 CG MET A 61 4.368 4.155 -6.336 1.00 0.00 C ATOM 879 SD MET A 61 5.977 3.449 -6.650 1.00 0.00 S ATOM 880 CE MET A 61 5.522 2.118 -7.749 1.00 0.00 C ATOM 0 H MET A 61 1.685 2.649 -3.935 1.00 0.00 H new ATOM 0 HA MET A 61 3.698 4.656 -3.531 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.360 2.709 -4.736 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.905 2.698 -5.711 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.778 4.157 -7.252 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.472 5.193 -6.022 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.416 1.569 -8.045 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.834 1.444 -7.239 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.037 2.528 -8.635 1.00 0.00 H new ATOM 890 N LYS A 62 1.173 5.232 -5.543 1.00 0.00 N ATOM 891 CA LYS A 62 0.471 6.272 -6.276 1.00 0.00 C ATOM 892 C LYS A 62 -0.082 7.301 -5.289 1.00 0.00 C ATOM 893 O LYS A 62 -0.033 8.503 -5.547 1.00 0.00 O ATOM 894 CB LYS A 62 -0.595 5.659 -7.187 1.00 0.00 C ATOM 895 CG LYS A 62 -0.018 5.336 -8.567 1.00 0.00 C ATOM 896 CD LYS A 62 -0.142 3.843 -8.877 1.00 0.00 C ATOM 897 CE LYS A 62 1.123 3.317 -9.557 1.00 0.00 C ATOM 898 NZ LYS A 62 0.776 2.347 -10.619 1.00 0.00 N ATOM 0 H LYS A 62 0.689 4.335 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 62 1.157 6.801 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.988 4.750 -6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.431 6.351 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.542 5.914 -9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.030 5.633 -8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.320 3.290 -7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.004 3.672 -9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.685 4.147 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.769 2.841 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.645 1.912 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.159 1.608 -10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.280 2.839 -11.390 1.00 0.00 H new ATOM 912 N CYS A 63 -0.596 6.793 -4.179 1.00 0.00 N ATOM 913 CA CYS A 63 -1.157 7.653 -3.151 1.00 0.00 C ATOM 914 C CYS A 63 -0.134 8.741 -2.823 1.00 0.00 C ATOM 915 O CYS A 63 -0.479 9.919 -2.743 1.00 0.00 O ATOM 916 CB CYS A 63 -1.564 6.859 -1.908 1.00 0.00 C ATOM 917 SG CYS A 63 -3.357 6.870 -1.542 1.00 0.00 S ATOM 0 H CYS A 63 -0.636 5.796 -3.969 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.072 8.116 -3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.239 5.826 -2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.029 7.260 -1.047 1.00 0.00 H new ATOM 922 N HIS A 64 1.106 8.309 -2.643 1.00 0.00 N ATOM 923 CA HIS A 64 2.182 9.231 -2.326 1.00 0.00 C ATOM 924 C HIS A 64 2.162 10.401 -3.312 1.00 0.00 C ATOM 925 O HIS A 64 1.946 11.546 -2.918 1.00 0.00 O ATOM 926 CB HIS A 64 3.529 8.506 -2.295 1.00 0.00 C ATOM 927 CG HIS A 64 4.720 9.426 -2.180 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.493 9.513 -1.035 1.00 0.00 N ATOM 929 CD2 HIS A 64 5.263 10.298 -3.077 1.00 0.00 C ATOM 930 CE1 HIS A 64 6.454 10.400 -1.245 1.00 0.00 C ATOM 931 NE2 HIS A 64 6.310 10.886 -2.511 1.00 0.00 N ATOM 0 H HIS A 64 1.389 7.331 -2.711 1.00 0.00 H new ATOM 0 HA HIS A 64 2.032 9.639 -1.327 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.537 7.812 -1.455 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.630 7.910 -3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.902 10.480 -4.079 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.218 10.688 -0.538 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.908 11.586 -2.950 1.00 0.00 H new ATOM 939 N LYS A 65 2.391 10.073 -4.575 1.00 0.00 N ATOM 940 CA LYS A 65 2.402 11.082 -5.620 1.00 0.00 C ATOM 941 C LYS A 65 1.054 11.806 -5.639 1.00 0.00 C ATOM 942 O LYS A 65 0.966 12.951 -6.079 1.00 0.00 O ATOM 943 CB LYS A 65 2.783 10.458 -6.964 1.00 0.00 C ATOM 944 CG LYS A 65 4.111 11.021 -7.474 1.00 0.00 C ATOM 945 CD LYS A 65 4.762 10.068 -8.478 1.00 0.00 C ATOM 946 CE LYS A 65 4.227 10.311 -9.890 1.00 0.00 C ATOM 947 NZ LYS A 65 5.083 9.636 -10.892 1.00 0.00 N ATOM 0 H LYS A 65 2.570 9.122 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 65 3.165 11.833 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.860 9.376 -6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.997 10.652 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.943 11.990 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.786 11.187 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.843 10.205 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.568 9.036 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.205 9.940 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.194 11.381 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.706 9.811 -11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.052 10.009 -10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.094 8.613 -10.707 1.00 0.00 H new ATOM 961 N ALA A 66 0.037 11.108 -5.155 1.00 0.00 N ATOM 962 CA ALA A 66 -1.302 11.670 -5.111 1.00 0.00 C ATOM 963 C ALA A 66 -1.362 12.749 -4.028 1.00 0.00 C ATOM 964 O ALA A 66 -1.747 13.885 -4.299 1.00 0.00 O ATOM 965 CB ALA A 66 -2.318 10.550 -4.875 1.00 0.00 C ATOM 0 H ALA A 66 0.113 10.159 -4.790 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.552 12.142 -6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.323 10.971 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.255 9.825 -5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.101 10.055 -3.928 1.00 0.00 H new ATOM 971 N CYS A 67 -0.976 12.355 -2.823 1.00 0.00 N ATOM 972 CA CYS A 67 -0.982 13.274 -1.698 1.00 0.00 C ATOM 973 C CYS A 67 0.045 14.374 -1.971 1.00 0.00 C ATOM 974 O CYS A 67 -0.054 15.471 -1.424 1.00 0.00 O ATOM 975 CB CYS A 67 -0.707 12.552 -0.377 1.00 0.00 C ATOM 976 SG CYS A 67 -0.913 13.586 1.120 1.00 0.00 S ATOM 0 H CYS A 67 -0.657 11.412 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.971 13.720 -1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.374 11.693 -0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.311 12.164 -0.396 1.00 0.00 H new ATOM 981 N ARG A 68 1.009 14.043 -2.819 1.00 0.00 N ATOM 982 CA ARG A 68 2.053 14.989 -3.172 1.00 0.00 C ATOM 983 C ARG A 68 1.468 16.146 -3.985 1.00 0.00 C ATOM 984 O ARG A 68 1.949 17.275 -3.899 1.00 0.00 O ATOM 985 CB ARG A 68 3.158 14.312 -3.984 1.00 0.00 C ATOM 986 CG ARG A 68 4.377 15.227 -4.121 1.00 0.00 C ATOM 987 CD ARG A 68 4.393 15.918 -5.486 1.00 0.00 C ATOM 988 NE ARG A 68 5.768 15.925 -6.034 1.00 0.00 N ATOM 989 CZ ARG A 68 6.108 16.483 -7.204 1.00 0.00 C ATOM 990 NH1 ARG A 68 5.175 17.082 -7.956 1.00 0.00 N ATOM 991 NH2 ARG A 68 7.380 16.441 -7.622 1.00 0.00 N ATOM 0 H ARG A 68 1.088 13.132 -3.272 1.00 0.00 H new ATOM 0 HA ARG A 68 2.481 15.371 -2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.451 13.380 -3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.780 14.053 -4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.364 15.977 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.290 14.645 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.722 15.401 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.026 16.940 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 68 6.503 15.477 -5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.206 17.113 -7.638 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.433 17.507 -8.847 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.090 15.984 -7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.638 16.866 -8.513 1.00 0.00 H new ATOM 1005 N ALA A 69 0.439 15.825 -4.755 1.00 0.00 N ATOM 1006 CA ALA A 69 -0.216 16.824 -5.582 1.00 0.00 C ATOM 1007 C ALA A 69 -1.477 17.321 -4.872 1.00 0.00 C ATOM 1008 O ALA A 69 -1.779 18.513 -4.899 1.00 0.00 O ATOM 1009 CB ALA A 69 -0.519 16.228 -6.959 1.00 0.00 C ATOM 0 H ALA A 69 0.043 14.888 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 69 0.437 17.683 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.010 16.977 -7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.412 15.917 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.174 15.364 -6.845 1.00 0.00 H new ATOM 1015 N ALA A 70 -2.178 16.382 -4.253 1.00 0.00 N ATOM 1016 CA ALA A 70 -3.399 16.710 -3.537 1.00 0.00 C ATOM 1017 C ALA A 70 -3.071 17.668 -2.390 1.00 0.00 C ATOM 1018 O ALA A 70 -3.029 18.882 -2.584 1.00 0.00 O ATOM 1019 CB ALA A 70 -4.066 15.423 -3.048 1.00 0.00 C ATOM 0 H ALA A 70 -1.924 15.394 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.106 17.214 -4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.982 15.669 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.305 14.790 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.386 14.891 -2.382 1.00 0.00 H new ATOM 1025 N ASN A 71 -2.846 17.087 -1.221 1.00 0.00 N ATOM 1026 CA ASN A 71 -2.523 17.874 -0.043 1.00 0.00 C ATOM 1027 C ASN A 71 -1.561 18.997 -0.434 1.00 0.00 C ATOM 1028 O ASN A 71 -1.913 20.173 -0.365 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.839 17.015 1.022 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.746 16.825 2.239 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -2.537 17.395 3.297 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -3.763 15.993 2.031 1.00 0.00 N ATOM 0 H ASN A 71 -2.881 16.080 -1.064 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.453 18.276 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.582 16.043 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.905 17.486 1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.425 15.800 2.782 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.880 15.549 1.120 1.00 0.00 H new ATOM 1039 N CYS A 72 -0.364 18.595 -0.837 1.00 0.00 N ATOM 1040 CA CYS A 72 0.652 19.553 -1.238 1.00 0.00 C ATOM 1041 C CYS A 72 0.336 20.020 -2.661 1.00 0.00 C ATOM 1042 O CYS A 72 0.903 19.509 -3.626 1.00 0.00 O ATOM 1043 CB CYS A 72 2.060 18.964 -1.130 1.00 0.00 C ATOM 1044 SG CYS A 72 2.485 18.290 0.517 1.00 0.00 S ATOM 0 H CYS A 72 -0.075 17.618 -0.894 1.00 0.00 H new ATOM 0 HA CYS A 72 0.635 20.409 -0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.164 18.170 -1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.783 19.738 -1.388 1.00 0.00 H new ATOM 1049 N ALA A 73 -0.568 20.985 -2.746 1.00 0.00 N ATOM 1050 CA ALA A 73 -0.966 21.526 -4.035 1.00 0.00 C ATOM 1051 C ALA A 73 -0.162 22.796 -4.320 1.00 0.00 C ATOM 1052 O ALA A 73 -0.168 23.299 -5.442 1.00 0.00 O ATOM 1053 CB ALA A 73 -2.475 21.778 -4.039 1.00 0.00 C ATOM 0 H ALA A 73 -1.036 21.406 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.752 20.814 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.774 22.184 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.001 20.840 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.727 22.490 -3.253 1.00 0.00 H new ATOM 1059 N SER A 74 0.511 23.277 -3.285 1.00 0.00 N ATOM 1060 CA SER A 74 1.318 24.478 -3.411 1.00 0.00 C ATOM 1061 C SER A 74 2.794 24.142 -3.192 1.00 0.00 C ATOM 1062 O SER A 74 3.652 24.562 -3.968 1.00 0.00 O ATOM 1063 CB SER A 74 0.866 25.552 -2.419 1.00 0.00 C ATOM 1064 OG SER A 74 -0.188 26.355 -2.944 1.00 0.00 O ATOM 0 H SER A 74 0.514 22.857 -2.356 1.00 0.00 H new ATOM 0 HA SER A 74 1.187 24.873 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.534 25.076 -1.496 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.713 26.188 -2.163 1.00 0.00 H new ATOM 0 HG SER A 74 -0.449 27.027 -2.280 1.00 0.00 H new ATOM 1070 N GLU A 75 3.046 23.387 -2.133 1.00 0.00 N ATOM 1071 CA GLU A 75 4.404 22.990 -1.803 1.00 0.00 C ATOM 1072 C GLU A 75 4.978 22.096 -2.904 1.00 0.00 C ATOM 1073 O GLU A 75 6.194 22.012 -3.070 1.00 0.00 O ATOM 1074 CB GLU A 75 4.455 22.288 -0.444 1.00 0.00 C ATOM 1075 CG GLU A 75 4.264 23.288 0.697 1.00 0.00 C ATOM 1076 CD GLU A 75 2.982 24.100 0.505 1.00 0.00 C ATOM 1077 OE1 GLU A 75 3.071 25.150 -0.167 1.00 0.00 O ATOM 1078 OE2 GLU A 75 1.942 23.653 1.035 1.00 0.00 O ATOM 0 H GLU A 75 2.332 23.040 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 75 5.018 23.888 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.679 21.524 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.412 21.779 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.223 22.757 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.121 23.960 0.744 1.00 0.00 H new ATOM 1085 N CYS A 76 4.076 21.450 -3.628 1.00 0.00 N ATOM 1086 CA CYS A 76 4.477 20.565 -4.709 1.00 0.00 C ATOM 1087 C CYS A 76 3.424 20.650 -5.815 1.00 0.00 C ATOM 1088 O CYS A 76 2.502 19.837 -5.864 1.00 0.00 O ATOM 1089 CB CYS A 76 4.676 19.129 -4.220 1.00 0.00 C ATOM 1090 SG CYS A 76 5.294 18.982 -2.503 1.00 0.00 S ATOM 0 H CYS A 76 3.068 21.522 -3.487 1.00 0.00 H new ATOM 0 HA CYS A 76 5.443 20.882 -5.103 1.00 0.00 H new ATOM 0 HB2 CYS A 76 3.726 18.599 -4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.376 18.626 -4.888 1.00 0.00 H new ATOM 1095 N PRO A 77 3.600 21.668 -6.700 1.00 0.00 N ATOM 1096 CA PRO A 77 2.676 21.870 -7.803 1.00 0.00 C ATOM 1097 C PRO A 77 2.900 20.830 -8.902 1.00 0.00 C ATOM 1098 O PRO A 77 2.283 19.766 -8.890 1.00 0.00 O ATOM 1099 CB PRO A 77 2.928 23.294 -8.271 1.00 0.00 C ATOM 1100 CG PRO A 77 4.294 23.677 -7.726 1.00 0.00 C ATOM 1101 CD PRO A 77 4.680 22.651 -6.673 1.00 0.00 C ATOM 0 HA PRO A 77 1.634 21.740 -7.509 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.910 23.356 -9.359 1.00 0.00 H new ATOM 0 HB3 PRO A 77 2.157 23.969 -7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.033 23.698 -8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.266 24.677 -7.293 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.641 22.190 -6.903 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.774 23.110 -5.689 1.00 0.00 H new ATOM 1109 N LYS A 78 3.784 21.174 -9.827 1.00 0.00 N ATOM 1110 CA LYS A 78 4.096 20.284 -10.932 1.00 0.00 C ATOM 1111 C LYS A 78 5.548 20.501 -11.362 1.00 0.00 C ATOM 1112 O LYS A 78 5.839 20.597 -12.553 1.00 0.00 O ATOM 1113 CB LYS A 78 3.086 20.463 -12.067 1.00 0.00 C ATOM 1114 CG LYS A 78 3.203 19.331 -13.089 1.00 0.00 C ATOM 1115 CD LYS A 78 2.910 19.836 -14.503 1.00 0.00 C ATOM 1116 CE LYS A 78 4.200 19.974 -15.315 1.00 0.00 C ATOM 1117 NZ LYS A 78 4.156 19.100 -16.509 1.00 0.00 N ATOM 0 H LYS A 78 4.294 22.057 -9.834 1.00 0.00 H new ATOM 0 HA LYS A 78 4.007 19.244 -10.619 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.076 20.486 -11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.253 21.421 -12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.206 18.905 -13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.507 18.532 -12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.232 19.147 -15.006 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.404 20.800 -14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.335 21.011 -15.621 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.057 19.710 -14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.039 19.205 -17.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.049 18.110 -16.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.350 19.370 -17.107 1.00 0.00 H new ATOM 1131 N HIS A 79 6.421 20.573 -10.368 1.00 0.00 N ATOM 1132 CA HIS A 79 7.836 20.778 -10.628 1.00 0.00 C ATOM 1133 C HIS A 79 8.630 20.573 -9.336 1.00 0.00 C ATOM 1134 O HIS A 79 8.082 20.127 -8.330 1.00 0.00 O ATOM 1135 CB HIS A 79 8.080 22.149 -11.263 1.00 0.00 C ATOM 1136 CG HIS A 79 9.012 22.119 -12.450 1.00 0.00 C ATOM 1137 ND1 HIS A 79 9.981 23.083 -12.667 1.00 0.00 N ATOM 1138 CD2 HIS A 79 9.114 21.232 -13.481 1.00 0.00 C ATOM 1139 CE1 HIS A 79 10.630 22.781 -13.781 1.00 0.00 C ATOM 1140 NE2 HIS A 79 10.091 21.633 -14.285 1.00 0.00 N ATOM 0 H HIS A 79 6.176 20.493 -9.381 1.00 0.00 H new ATOM 0 HA HIS A 79 8.187 20.041 -11.350 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.124 22.569 -11.575 1.00 0.00 H new ATOM 0 HB3 HIS A 79 8.491 22.820 -10.508 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.503 20.352 -13.620 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.443 23.344 -14.215 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.390 21.161 -15.139 1.00 0.00 H new ATOM 1148 N GLU A 80 9.910 20.909 -9.407 1.00 0.00 N ATOM 1149 CA GLU A 80 10.785 20.768 -8.256 1.00 0.00 C ATOM 1150 C GLU A 80 10.872 19.300 -7.832 1.00 0.00 C ATOM 1151 O GLU A 80 10.032 18.819 -7.074 1.00 0.00 O ATOM 1152 CB GLU A 80 10.312 21.646 -7.096 1.00 0.00 C ATOM 1153 CG GLU A 80 10.956 23.033 -7.160 1.00 0.00 C ATOM 1154 CD GLU A 80 11.641 23.380 -5.836 1.00 0.00 C ATOM 1155 OE1 GLU A 80 12.748 22.845 -5.612 1.00 0.00 O ATOM 1156 OE2 GLU A 80 11.042 24.174 -5.079 1.00 0.00 O ATOM 0 H GLU A 80 10.362 21.278 -10.244 1.00 0.00 H new ATOM 0 HA GLU A 80 11.782 21.104 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.227 21.743 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.562 21.169 -6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.685 23.063 -7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.196 23.781 -7.388 1.00 0.00 H new ATOM 1163 N HIS A 81 11.897 18.631 -8.339 1.00 0.00 N ATOM 1164 CA HIS A 81 12.104 17.228 -8.023 1.00 0.00 C ATOM 1165 C HIS A 81 12.552 17.091 -6.566 1.00 0.00 C ATOM 1166 O HIS A 81 12.267 16.085 -5.918 1.00 0.00 O ATOM 1167 CB HIS A 81 13.086 16.588 -9.007 1.00 0.00 C ATOM 1168 CG HIS A 81 14.522 17.008 -8.802 1.00 0.00 C ATOM 1169 ND1 HIS A 81 15.541 16.102 -8.565 1.00 0.00 N ATOM 1170 CD2 HIS A 81 15.098 18.244 -8.803 1.00 0.00 C ATOM 1171 CE1 HIS A 81 16.675 16.774 -8.429 1.00 0.00 C ATOM 1172 NE2 HIS A 81 16.398 18.101 -8.576 1.00 0.00 N ATOM 0 H HIS A 81 12.593 19.034 -8.966 1.00 0.00 H new ATOM 0 HA HIS A 81 11.165 16.685 -8.132 1.00 0.00 H new ATOM 0 HB2 HIS A 81 13.019 15.504 -8.918 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.785 16.844 -10.023 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.584 19.180 -8.962 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.648 16.346 -8.236 1.00 0.00 H new ATOM 0 HE2 HIS A 81 17.078 18.859 -8.521 1.00 0.00 H new ATOM 1180 N LYS A 82 13.244 18.117 -6.095 1.00 0.00 N ATOM 1181 CA LYS A 82 13.733 18.124 -4.727 1.00 0.00 C ATOM 1182 C LYS A 82 13.431 19.482 -4.088 1.00 0.00 C ATOM 1183 O LYS A 82 14.260 20.390 -4.130 1.00 0.00 O ATOM 1184 CB LYS A 82 15.214 17.742 -4.685 1.00 0.00 C ATOM 1185 CG LYS A 82 16.049 18.686 -5.552 1.00 0.00 C ATOM 1186 CD LYS A 82 16.940 19.581 -4.688 1.00 0.00 C ATOM 1187 CE LYS A 82 17.230 20.909 -5.390 1.00 0.00 C ATOM 1188 NZ LYS A 82 18.317 21.635 -4.697 1.00 0.00 N ATOM 0 H LYS A 82 13.478 18.949 -6.636 1.00 0.00 H new ATOM 0 HA LYS A 82 13.215 17.370 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.573 17.775 -3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.339 16.717 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.666 18.105 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.390 19.304 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.453 19.770 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.877 19.068 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.511 20.725 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.329 21.522 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.501 22.534 -5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.035 21.827 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.180 21.055 -4.702 1.00 0.00 H new ATOM 1202 N SER A 83 12.241 19.577 -3.513 1.00 0.00 N ATOM 1203 CA SER A 83 11.819 20.808 -2.867 1.00 0.00 C ATOM 1204 C SER A 83 11.806 20.624 -1.348 1.00 0.00 C ATOM 1205 O SER A 83 11.073 19.784 -0.827 1.00 0.00 O ATOM 1206 CB SER A 83 10.439 21.244 -3.361 1.00 0.00 C ATOM 1207 OG SER A 83 9.708 21.944 -2.357 1.00 0.00 O ATOM 0 H SER A 83 11.556 18.822 -3.481 1.00 0.00 H new ATOM 0 HA SER A 83 12.531 21.592 -3.125 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.553 21.882 -4.237 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.873 20.367 -3.676 1.00 0.00 H new ATOM 0 HG SER A 83 9.230 22.696 -2.765 1.00 0.00 H new ATOM 1213 N ASP A 84 12.624 21.423 -0.679 1.00 0.00 N ATOM 1214 CA ASP A 84 12.715 21.359 0.769 1.00 0.00 C ATOM 1215 C ASP A 84 11.307 21.384 1.366 1.00 0.00 C ATOM 1216 O ASP A 84 10.898 20.440 2.041 1.00 0.00 O ATOM 1217 CB ASP A 84 13.486 22.557 1.326 1.00 0.00 C ATOM 1218 CG ASP A 84 13.458 22.693 2.850 1.00 0.00 C ATOM 1219 OD1 ASP A 84 14.033 21.800 3.510 1.00 0.00 O ATOM 1220 OD2 ASP A 84 12.862 23.686 3.321 1.00 0.00 O ATOM 0 H ASP A 84 13.230 22.119 -1.114 1.00 0.00 H new ATOM 0 HA ASP A 84 13.237 20.440 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.524 22.484 1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.078 23.468 0.888 1.00 0.00 H new ATOM 1225 N THR A 85 10.603 22.473 1.096 1.00 0.00 N ATOM 1226 CA THR A 85 9.249 22.633 1.598 1.00 0.00 C ATOM 1227 C THR A 85 8.385 21.438 1.192 1.00 0.00 C ATOM 1228 O THR A 85 7.554 20.974 1.972 1.00 0.00 O ATOM 1229 CB THR A 85 8.711 23.973 1.090 1.00 0.00 C ATOM 1230 OG1 THR A 85 7.399 24.051 1.639 1.00 0.00 O ATOM 1231 CG2 THR A 85 8.483 23.976 -0.423 1.00 0.00 C ATOM 0 H THR A 85 10.945 23.254 0.536 1.00 0.00 H new ATOM 0 HA THR A 85 9.231 22.652 2.688 1.00 0.00 H new ATOM 0 HB THR A 85 9.409 24.768 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.038 24.951 1.497 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.101 24.949 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.425 23.777 -0.933 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.760 23.203 -0.683 1.00 0.00 H new ATOM 1239 N CYS A 86 8.610 20.974 -0.028 1.00 0.00 N ATOM 1240 CA CYS A 86 7.862 19.841 -0.548 1.00 0.00 C ATOM 1241 C CYS A 86 8.157 18.626 0.334 1.00 0.00 C ATOM 1242 O CYS A 86 7.282 18.154 1.059 1.00 0.00 O ATOM 1243 CB CYS A 86 8.191 19.573 -2.018 1.00 0.00 C ATOM 1244 SG CYS A 86 7.195 18.250 -2.798 1.00 0.00 S ATOM 0 H CYS A 86 9.300 21.362 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 86 6.795 20.061 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.049 20.495 -2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.246 19.309 -2.098 1.00 0.00 H new ATOM 1249 N ARG A 87 9.391 18.154 0.243 1.00 0.00 N ATOM 1250 CA ARG A 87 9.812 17.003 1.023 1.00 0.00 C ATOM 1251 C ARG A 87 9.220 17.071 2.432 1.00 0.00 C ATOM 1252 O ARG A 87 8.830 16.050 2.996 1.00 0.00 O ATOM 1253 CB ARG A 87 11.337 16.932 1.121 1.00 0.00 C ATOM 1254 CG ARG A 87 11.970 16.785 -0.264 1.00 0.00 C ATOM 1255 CD ARG A 87 13.376 16.188 -0.164 1.00 0.00 C ATOM 1256 NE ARG A 87 13.318 14.864 0.495 1.00 0.00 N ATOM 1257 CZ ARG A 87 12.888 13.745 -0.104 1.00 0.00 C ATOM 1258 NH1 ARG A 87 12.475 13.783 -1.379 1.00 0.00 N ATOM 1259 NH2 ARG A 87 12.870 12.588 0.571 1.00 0.00 N ATOM 0 H ARG A 87 10.114 18.548 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 87 9.450 16.109 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.716 17.833 1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.626 16.088 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.344 16.147 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.018 17.759 -0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.810 16.089 -1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.025 16.857 0.402 1.00 0.00 H new ATOM 0 HE ARG A 87 13.624 14.799 1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.488 14.664 -1.893 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.148 12.931 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.184 12.559 1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.543 11.736 0.115 1.00 0.00 H new ATOM 1273 N ALA A 88 9.170 18.285 2.960 1.00 0.00 N ATOM 1274 CA ALA A 88 8.631 18.500 4.292 1.00 0.00 C ATOM 1275 C ALA A 88 7.106 18.381 4.246 1.00 0.00 C ATOM 1276 O ALA A 88 6.519 17.599 4.993 1.00 0.00 O ATOM 1277 CB ALA A 88 9.093 19.861 4.816 1.00 0.00 C ATOM 0 H ALA A 88 9.494 19.130 2.489 1.00 0.00 H new ATOM 0 HA ALA A 88 9.001 17.742 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.689 20.022 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.182 19.885 4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.738 20.647 4.150 1.00 0.00 H new ATOM 1283 N CYS A 89 6.509 19.167 3.363 1.00 0.00 N ATOM 1284 CA CYS A 89 5.064 19.158 3.210 1.00 0.00 C ATOM 1285 C CYS A 89 4.586 17.705 3.240 1.00 0.00 C ATOM 1286 O CYS A 89 3.606 17.384 3.909 1.00 0.00 O ATOM 1287 CB CYS A 89 4.626 19.877 1.932 1.00 0.00 C ATOM 1288 SG CYS A 89 2.815 19.988 1.696 1.00 0.00 S ATOM 0 H CYS A 89 6.999 19.814 2.746 1.00 0.00 H new ATOM 0 HA CYS A 89 4.606 19.707 4.033 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.040 20.885 1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.059 19.361 1.075 1.00 0.00 H new ATOM 1293 N MET A 90 5.301 16.865 2.506 1.00 0.00 N ATOM 1294 CA MET A 90 4.962 15.454 2.439 1.00 0.00 C ATOM 1295 C MET A 90 5.199 14.770 3.787 1.00 0.00 C ATOM 1296 O MET A 90 4.273 14.216 4.377 1.00 0.00 O ATOM 1297 CB MET A 90 5.813 14.774 1.365 1.00 0.00 C ATOM 1298 CG MET A 90 5.343 15.168 -0.037 1.00 0.00 C ATOM 1299 SD MET A 90 5.711 13.859 -1.194 1.00 0.00 S ATOM 1300 CE MET A 90 4.356 12.750 -0.849 1.00 0.00 C ATOM 0 H MET A 90 6.114 17.135 1.952 1.00 0.00 H new ATOM 0 HA MET A 90 3.905 15.365 2.187 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.859 15.053 1.494 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.755 13.692 1.481 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.271 15.366 -0.028 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.835 16.089 -0.349 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.183 12.108 -1.712 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.601 12.135 0.017 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.456 13.329 -0.641 1.00 0.00 H new ATOM 1310 N LYS A 91 6.445 14.830 4.235 1.00 0.00 N ATOM 1311 CA LYS A 91 6.815 14.223 5.502 1.00 0.00 C ATOM 1312 C LYS A 91 5.799 14.628 6.572 1.00 0.00 C ATOM 1313 O LYS A 91 5.544 13.872 7.508 1.00 0.00 O ATOM 1314 CB LYS A 91 8.260 14.573 5.862 1.00 0.00 C ATOM 1315 CG LYS A 91 8.520 14.361 7.355 1.00 0.00 C ATOM 1316 CD LYS A 91 10.005 14.530 7.682 1.00 0.00 C ATOM 1317 CE LYS A 91 10.239 15.768 8.549 1.00 0.00 C ATOM 1318 NZ LYS A 91 11.688 16.007 8.733 1.00 0.00 N ATOM 0 H LYS A 91 7.211 15.290 3.743 1.00 0.00 H new ATOM 0 HA LYS A 91 6.784 13.136 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.943 13.956 5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.463 15.611 5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.933 15.073 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.191 13.364 7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.370 13.644 8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.577 14.616 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.777 16.638 8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.760 15.635 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.828 16.851 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.119 15.183 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.136 16.155 7.806 1.00 0.00 H new ATOM 1332 N THR A 92 5.248 15.820 6.399 1.00 0.00 N ATOM 1333 CA THR A 92 4.266 16.335 7.338 1.00 0.00 C ATOM 1334 C THR A 92 3.020 15.448 7.346 1.00 0.00 C ATOM 1335 O THR A 92 2.637 14.917 8.388 1.00 0.00 O ATOM 1336 CB THR A 92 3.974 17.790 6.967 1.00 0.00 C ATOM 1337 OG1 THR A 92 5.263 18.390 6.875 1.00 0.00 O ATOM 1338 CG2 THR A 92 3.286 18.556 8.099 1.00 0.00 C ATOM 0 H THR A 92 5.463 16.445 5.622 1.00 0.00 H new ATOM 0 HA THR A 92 4.647 16.316 8.359 1.00 0.00 H new ATOM 0 HB THR A 92 3.347 17.819 6.076 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.617 18.267 5.970 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.101 19.583 7.784 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.338 18.075 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.928 18.557 8.980 1.00 0.00 H new ATOM 1346 N ASN A 93 2.420 15.314 6.172 1.00 0.00 N ATOM 1347 CA ASN A 93 1.225 14.500 6.031 1.00 0.00 C ATOM 1348 C ASN A 93 1.512 13.342 5.073 1.00 0.00 C ATOM 1349 O ASN A 93 1.437 12.177 5.462 1.00 0.00 O ATOM 1350 CB ASN A 93 0.068 15.317 5.452 1.00 0.00 C ATOM 1351 CG ASN A 93 0.001 16.704 6.094 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -0.543 16.894 7.169 1.00 0.00 O ATOM 1353 ND2 ASN A 93 0.583 17.661 5.376 1.00 0.00 N ATOM 0 H ASN A 93 2.739 15.756 5.310 1.00 0.00 H new ATOM 0 HA ASN A 93 0.948 14.133 7.019 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.193 15.417 4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.872 14.790 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.591 18.622 5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.021 17.434 4.483 1.00 0.00 H new ATOM 1360 N CYS A 94 1.834 13.702 3.840 1.00 0.00 N ATOM 1361 CA CYS A 94 2.132 12.707 2.824 1.00 0.00 C ATOM 1362 C CYS A 94 3.458 12.034 3.185 1.00 0.00 C ATOM 1363 O CYS A 94 4.468 12.245 2.515 1.00 0.00 O ATOM 1364 CB CYS A 94 2.167 13.322 1.423 1.00 0.00 C ATOM 1365 SG CYS A 94 0.893 14.598 1.113 1.00 0.00 S ATOM 0 H CYS A 94 1.895 14.669 3.521 1.00 0.00 H new ATOM 0 HA CYS A 94 1.340 11.958 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.150 13.763 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.049 12.525 0.689 1.00 0.00 H new ATOM 1370 N LYS A 95 3.411 11.238 4.243 1.00 0.00 N ATOM 1371 CA LYS A 95 4.596 10.532 4.701 1.00 0.00 C ATOM 1372 C LYS A 95 5.373 10.011 3.491 1.00 0.00 C ATOM 1373 O LYS A 95 6.540 9.640 3.612 1.00 0.00 O ATOM 1374 CB LYS A 95 4.215 9.442 5.705 1.00 0.00 C ATOM 1375 CG LYS A 95 5.378 9.137 6.651 1.00 0.00 C ATOM 1376 CD LYS A 95 5.233 7.745 7.268 1.00 0.00 C ATOM 1377 CE LYS A 95 6.279 7.518 8.361 1.00 0.00 C ATOM 1378 NZ LYS A 95 6.107 6.182 8.974 1.00 0.00 N ATOM 0 H LYS A 95 2.571 11.066 4.796 1.00 0.00 H new ATOM 0 HA LYS A 95 5.260 11.209 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.347 9.761 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.928 8.536 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.320 9.201 6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.415 9.887 7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.233 7.632 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.342 6.987 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.280 7.604 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.188 8.290 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.825 6.044 9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.159 6.113 9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.216 5.449 8.245 1.00 0.00 H new