USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=17 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 Single : A 10 LYS NZ :NH3+ 161:sc= -0.0485 (180deg=-0.345) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 103:sc= 0.0332 USER MOD Single : A 24 LYS NZ :NH3+ -103:sc=-0.00346 (180deg=-1.36) 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 58:sc= 0.927 USER MOD Single : A 34 SER OG : rot 178:sc= 0 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= 0.0466 USER MOD Single : A 43 ASN : amide:sc=-0.00357 X(o=-0.0036,f=0.47) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.082) USER MOD Single : A 52 GLN : amide:sc= -3.19 K(o=-3.2,f=-9.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -136:sc= -1.09 (180deg=-5.33!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.86! C(o=-3.9!,f=-5.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.0066) 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= -0.432 X(o=-0.43,f=-0.26) USER MOD Single : A 81 HIS : no HD1:sc= -2.03 K(o=-2,f=-1.5) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 119:sc= -0.78 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 153:sc= -1.79 (180deg=-4.49!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 65:sc= 0.67 USER MOD Single : A 93 ASN : amide:sc= -0.582 K(o=-0.58,f=-0.025) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -1.694 10.422 6.246 1.00 0.00 N ATOM 91 CA VAL A 7 -2.835 9.904 5.511 1.00 0.00 C ATOM 92 C VAL A 7 -2.722 8.381 5.408 1.00 0.00 C ATOM 93 O VAL A 7 -3.384 7.654 6.146 1.00 0.00 O ATOM 94 CB VAL A 7 -2.936 10.590 4.148 1.00 0.00 C ATOM 95 CG1 VAL A 7 -4.010 9.931 3.280 1.00 0.00 C ATOM 96 CG2 VAL A 7 -3.201 12.088 4.306 1.00 0.00 C ATOM 0 HA VAL A 7 -3.762 10.126 6.040 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.978 10.471 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.061 10.438 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.759 8.882 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.976 10.003 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.268 12.551 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.138 12.237 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.386 12.545 4.867 1.00 0.00 H new ATOM 106 N ASP A 8 -1.877 7.944 4.485 1.00 0.00 N ATOM 107 CA ASP A 8 -1.668 6.522 4.276 1.00 0.00 C ATOM 108 C ASP A 8 -2.871 5.938 3.531 1.00 0.00 C ATOM 109 O ASP A 8 -4.001 6.019 4.011 1.00 0.00 O ATOM 110 CB ASP A 8 -1.533 5.783 5.608 1.00 0.00 C ATOM 111 CG ASP A 8 -0.667 6.488 6.654 1.00 0.00 C ATOM 112 OD1 ASP A 8 0.566 6.512 6.447 1.00 0.00 O ATOM 113 OD2 ASP A 8 -1.257 6.987 7.636 1.00 0.00 O ATOM 0 H ASP A 8 -1.330 8.550 3.874 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.751 6.397 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.529 5.632 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.114 4.795 5.417 1.00 0.00 H new ATOM 118 N CYS A 9 -2.587 5.364 2.372 1.00 0.00 N ATOM 119 CA CYS A 9 -3.631 4.767 1.557 1.00 0.00 C ATOM 120 C CYS A 9 -3.988 3.405 2.155 1.00 0.00 C ATOM 121 O CYS A 9 -3.715 2.368 1.554 1.00 0.00 O ATOM 122 CB CYS A 9 -3.209 4.653 0.090 1.00 0.00 C ATOM 123 SG CYS A 9 -4.483 5.168 -1.118 1.00 0.00 S ATOM 0 H CYS A 9 -1.649 5.299 1.977 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.512 5.408 1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.316 5.259 -0.065 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.932 3.619 -0.114 1.00 0.00 H new ATOM 128 N LYS A 10 -4.595 3.452 3.332 1.00 0.00 N ATOM 129 CA LYS A 10 -4.992 2.235 4.019 1.00 0.00 C ATOM 130 C LYS A 10 -6.470 1.955 3.737 1.00 0.00 C ATOM 131 O LYS A 10 -6.797 1.097 2.918 1.00 0.00 O ATOM 132 CB LYS A 10 -4.657 2.326 5.509 1.00 0.00 C ATOM 133 CG LYS A 10 -3.824 1.125 5.958 1.00 0.00 C ATOM 134 CD LYS A 10 -4.313 0.591 7.306 1.00 0.00 C ATOM 135 CE LYS A 10 -5.581 -0.248 7.135 1.00 0.00 C ATOM 136 NZ LYS A 10 -5.271 -1.524 6.452 1.00 0.00 N ATOM 0 H LYS A 10 -4.822 4.314 3.827 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.427 1.383 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.109 3.247 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.578 2.372 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.883 0.337 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.776 1.414 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.532 -0.014 7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.512 1.424 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.025 -0.449 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.318 0.310 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.038 -2.205 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.179 -1.357 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.378 -1.908 6.822 1.00 0.00 H new ATOM 150 N GLY A 11 -7.322 2.695 4.431 1.00 0.00 N ATOM 151 CA GLY A 11 -8.757 2.536 4.265 1.00 0.00 C ATOM 152 C GLY A 11 -9.217 3.084 2.913 1.00 0.00 C ATOM 153 O GLY A 11 -10.389 2.972 2.559 1.00 0.00 O ATOM 0 H GLY A 11 -7.047 3.406 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.021 1.481 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.279 3.055 5.069 1.00 0.00 H new ATOM 157 N GLN A 12 -8.268 3.665 2.192 1.00 0.00 N ATOM 158 CA GLN A 12 -8.561 4.231 0.886 1.00 0.00 C ATOM 159 C GLN A 12 -8.202 3.233 -0.217 1.00 0.00 C ATOM 160 O GLN A 12 -8.761 3.284 -1.311 1.00 0.00 O ATOM 161 CB GLN A 12 -7.826 5.558 0.686 1.00 0.00 C ATOM 162 CG GLN A 12 -8.664 6.731 1.198 1.00 0.00 C ATOM 163 CD GLN A 12 -9.420 7.406 0.052 1.00 0.00 C ATOM 164 OE1 GLN A 12 -10.386 6.885 -0.480 1.00 0.00 O ATOM 165 NE2 GLN A 12 -8.928 8.592 -0.296 1.00 0.00 N ATOM 0 H GLN A 12 -7.296 3.756 2.488 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.630 4.434 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.871 5.532 1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.604 5.699 -0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.372 6.377 1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.017 7.458 1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.116 8.970 0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.363 9.123 -1.050 1.00 0.00 H new ATOM 174 N CYS A 13 -7.271 2.349 0.109 1.00 0.00 N ATOM 175 CA CYS A 13 -6.830 1.341 -0.840 1.00 0.00 C ATOM 176 C CYS A 13 -7.437 -0.002 -0.431 1.00 0.00 C ATOM 177 O CYS A 13 -6.714 -0.933 -0.080 1.00 0.00 O ATOM 178 CB CYS A 13 -5.304 1.275 -0.928 1.00 0.00 C ATOM 179 SG CYS A 13 -4.531 2.627 -1.889 1.00 0.00 S ATOM 0 H CYS A 13 -6.809 2.310 1.018 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.174 1.605 -1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.895 1.287 0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.021 0.322 -1.376 1.00 0.00 H new ATOM 184 N THR A 14 -8.760 -0.060 -0.489 1.00 0.00 N ATOM 185 CA THR A 14 -9.472 -1.274 -0.129 1.00 0.00 C ATOM 186 C THR A 14 -9.788 -2.098 -1.379 1.00 0.00 C ATOM 187 O THR A 14 -9.653 -3.320 -1.372 1.00 0.00 O ATOM 188 CB THR A 14 -10.717 -0.874 0.665 1.00 0.00 C ATOM 189 OG1 THR A 14 -10.220 -0.593 1.971 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.679 -2.045 0.876 1.00 0.00 C ATOM 0 H THR A 14 -9.357 0.714 -0.780 1.00 0.00 H new ATOM 0 HA THR A 14 -8.860 -1.919 0.501 1.00 0.00 H new ATOM 0 HB THR A 14 -11.235 -0.068 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.962 -0.324 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.545 -1.706 1.445 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.006 -2.426 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.172 -2.838 1.425 1.00 0.00 H new ATOM 198 N THR A 15 -10.204 -1.395 -2.423 1.00 0.00 N ATOM 199 CA THR A 15 -10.540 -2.045 -3.678 1.00 0.00 C ATOM 200 C THR A 15 -9.305 -2.722 -4.276 1.00 0.00 C ATOM 201 O THR A 15 -9.374 -3.866 -4.722 1.00 0.00 O ATOM 202 CB THR A 15 -11.166 -0.998 -4.601 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.569 -1.173 -4.423 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.937 -1.310 -6.081 1.00 0.00 C ATOM 0 H THR A 15 -10.316 -0.381 -2.425 1.00 0.00 H new ATOM 0 HA THR A 15 -11.268 -2.842 -3.527 1.00 0.00 H new ATOM 0 HB THR A 15 -10.753 -0.016 -4.369 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.052 -0.532 -4.984 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.401 -0.536 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.867 -1.340 -6.285 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.379 -2.277 -6.322 1.00 0.00 H new ATOM 212 N PRO A 16 -8.174 -1.966 -4.264 1.00 0.00 N ATOM 213 CA PRO A 16 -6.925 -2.480 -4.800 1.00 0.00 C ATOM 214 C PRO A 16 -6.296 -3.497 -3.846 1.00 0.00 C ATOM 215 O PRO A 16 -5.516 -4.349 -4.267 1.00 0.00 O ATOM 216 CB PRO A 16 -6.055 -1.253 -5.017 1.00 0.00 C ATOM 217 CG PRO A 16 -6.668 -0.152 -4.167 1.00 0.00 C ATOM 218 CD PRO A 16 -8.055 -0.607 -3.744 1.00 0.00 C ATOM 0 HA PRO A 16 -7.061 -3.025 -5.734 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.024 -1.448 -4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.036 -0.969 -6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.048 0.045 -3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.727 0.778 -4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.165 -0.587 -2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.827 0.043 -4.155 1.00 0.00 H new ATOM 226 N CYS A 17 -6.660 -3.374 -2.577 1.00 0.00 N ATOM 227 CA CYS A 17 -6.142 -4.272 -1.560 1.00 0.00 C ATOM 228 C CYS A 17 -7.305 -5.099 -1.011 1.00 0.00 C ATOM 229 O CYS A 17 -7.299 -5.490 0.156 1.00 0.00 O ATOM 230 CB CYS A 17 -5.411 -3.510 -0.452 1.00 0.00 C ATOM 231 SG CYS A 17 -4.338 -2.148 -1.037 1.00 0.00 S ATOM 0 H CYS A 17 -7.307 -2.666 -2.231 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.401 -4.938 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.150 -3.101 0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.803 -4.215 0.114 1.00 0.00 H new ATOM 236 N GLU A 18 -8.278 -5.343 -1.877 1.00 0.00 N ATOM 237 CA GLU A 18 -9.446 -6.117 -1.494 1.00 0.00 C ATOM 238 C GLU A 18 -9.110 -7.609 -1.470 1.00 0.00 C ATOM 239 O GLU A 18 -9.396 -8.298 -0.492 1.00 0.00 O ATOM 240 CB GLU A 18 -10.622 -5.834 -2.431 1.00 0.00 C ATOM 241 CG GLU A 18 -11.829 -5.307 -1.652 1.00 0.00 C ATOM 242 CD GLU A 18 -13.140 -5.776 -2.288 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.214 -5.728 -3.534 1.00 0.00 O ATOM 244 OE2 GLU A 18 -14.037 -6.172 -1.512 1.00 0.00 O ATOM 0 H GLU A 18 -8.281 -5.018 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.744 -5.816 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.324 -5.105 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.897 -6.746 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.778 -5.651 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.802 -4.218 -1.626 1.00 0.00 H new ATOM 251 N PRO A 19 -8.491 -8.077 -2.587 1.00 0.00 N ATOM 252 CA PRO A 19 -8.113 -9.475 -2.704 1.00 0.00 C ATOM 253 C PRO A 19 -6.881 -9.782 -1.850 1.00 0.00 C ATOM 254 O PRO A 19 -6.788 -10.852 -1.250 1.00 0.00 O ATOM 255 CB PRO A 19 -7.877 -9.696 -4.189 1.00 0.00 C ATOM 256 CG PRO A 19 -7.678 -8.314 -4.790 1.00 0.00 C ATOM 257 CD PRO A 19 -8.136 -7.290 -3.765 1.00 0.00 C ATOM 0 HA PRO A 19 -8.882 -10.152 -2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.002 -10.324 -4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.726 -10.203 -4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.630 -8.156 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.250 -8.213 -5.712 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.345 -6.575 -3.540 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.989 -6.718 -4.131 1.00 0.00 H new ATOM 265 N LEU A 20 -5.965 -8.825 -1.824 1.00 0.00 N ATOM 266 CA LEU A 20 -4.742 -8.981 -1.055 1.00 0.00 C ATOM 267 C LEU A 20 -5.097 -9.267 0.406 1.00 0.00 C ATOM 268 O LEU A 20 -4.718 -10.304 0.949 1.00 0.00 O ATOM 269 CB LEU A 20 -3.834 -7.763 -1.240 1.00 0.00 C ATOM 270 CG LEU A 20 -2.937 -7.409 -0.052 1.00 0.00 C ATOM 271 CD1 LEU A 20 -1.750 -8.369 0.044 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.488 -5.948 -0.120 1.00 0.00 C ATOM 0 H LEU A 20 -6.045 -7.939 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.170 -9.835 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.200 -7.936 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.459 -6.900 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.520 -7.525 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.129 -8.095 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.115 -9.388 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.159 -8.309 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.852 -5.723 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.929 -5.782 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.362 -5.297 -0.103 1.00 0.00 H new ATOM 284 N THR A 21 -5.820 -8.330 1.000 1.00 0.00 N ATOM 285 CA THR A 21 -6.231 -8.468 2.388 1.00 0.00 C ATOM 286 C THR A 21 -6.890 -9.830 2.615 1.00 0.00 C ATOM 287 O THR A 21 -6.535 -10.548 3.548 1.00 0.00 O ATOM 288 CB THR A 21 -7.140 -7.287 2.732 1.00 0.00 C ATOM 289 OG1 THR A 21 -6.237 -6.210 2.967 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.857 -7.471 4.071 1.00 0.00 C ATOM 0 H THR A 21 -6.132 -7.472 0.546 1.00 0.00 H new ATOM 0 HA THR A 21 -5.373 -8.441 3.060 1.00 0.00 H new ATOM 0 HB THR A 21 -7.877 -7.154 1.940 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.226 -5.617 2.187 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.489 -6.605 4.267 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.474 -8.369 4.033 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.120 -7.570 4.868 1.00 0.00 H new ATOM 298 N ALA A 22 -7.840 -10.144 1.746 1.00 0.00 N ATOM 299 CA ALA A 22 -8.553 -11.406 1.841 1.00 0.00 C ATOM 300 C ALA A 22 -7.547 -12.558 1.814 1.00 0.00 C ATOM 301 O ALA A 22 -7.802 -13.623 2.374 1.00 0.00 O ATOM 302 CB ALA A 22 -9.577 -11.500 0.708 1.00 0.00 C ATOM 0 H ALA A 22 -8.132 -9.546 0.973 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.100 -11.468 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.112 -12.447 0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.286 -10.676 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.064 -11.444 -0.252 1.00 0.00 H new ATOM 308 N CYS A 23 -6.424 -12.306 1.157 1.00 0.00 N ATOM 309 CA CYS A 23 -5.378 -13.309 1.050 1.00 0.00 C ATOM 310 C CYS A 23 -4.762 -13.510 2.435 1.00 0.00 C ATOM 311 O CYS A 23 -4.842 -14.599 3.002 1.00 0.00 O ATOM 312 CB CYS A 23 -4.327 -12.921 0.008 1.00 0.00 C ATOM 313 SG CYS A 23 -3.521 -14.333 -0.832 1.00 0.00 S ATOM 0 H CYS A 23 -6.216 -11.422 0.693 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.806 -14.250 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.798 -12.289 -0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.559 -12.319 0.494 1.00 0.00 H new ATOM 318 N LYS A 24 -4.160 -12.443 2.941 1.00 0.00 N ATOM 319 CA LYS A 24 -3.530 -12.489 4.249 1.00 0.00 C ATOM 320 C LYS A 24 -4.509 -13.089 5.261 1.00 0.00 C ATOM 321 O LYS A 24 -4.146 -13.980 6.027 1.00 0.00 O ATOM 322 CB LYS A 24 -3.011 -11.105 4.643 1.00 0.00 C ATOM 323 CG LYS A 24 -1.505 -10.994 4.398 1.00 0.00 C ATOM 324 CD LYS A 24 -1.147 -9.639 3.784 1.00 0.00 C ATOM 325 CE LYS A 24 -0.208 -8.853 4.701 1.00 0.00 C ATOM 326 NZ LYS A 24 0.760 -8.069 3.902 1.00 0.00 N ATOM 0 H LYS A 24 -4.096 -11.542 2.468 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.655 -13.138 4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.534 -10.340 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.227 -10.918 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.970 -11.124 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.181 -11.795 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.673 -9.789 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.056 -9.064 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.787 -8.185 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.326 -9.539 5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.684 -8.546 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.420 -7.992 2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.857 -7.117 4.310 1.00 0.00 H new ATOM 340 N GLU A 25 -5.730 -12.577 5.230 1.00 0.00 N ATOM 341 CA GLU A 25 -6.764 -13.051 6.135 1.00 0.00 C ATOM 342 C GLU A 25 -6.886 -14.574 6.050 1.00 0.00 C ATOM 343 O GLU A 25 -6.551 -15.281 6.999 1.00 0.00 O ATOM 344 CB GLU A 25 -8.104 -12.376 5.838 1.00 0.00 C ATOM 345 CG GLU A 25 -8.594 -11.574 7.045 1.00 0.00 C ATOM 346 CD GLU A 25 -9.576 -12.393 7.886 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.463 -13.023 7.270 1.00 0.00 O ATOM 348 OE2 GLU A 25 -9.417 -12.371 9.125 1.00 0.00 O ATOM 0 H GLU A 25 -6.027 -11.838 4.592 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.479 -12.785 7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.000 -11.716 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.845 -13.131 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.743 -11.278 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.077 -10.658 6.705 1.00 0.00 H new ATOM 355 N LYS A 26 -7.366 -15.034 4.904 1.00 0.00 N ATOM 356 CA LYS A 26 -7.536 -16.460 4.683 1.00 0.00 C ATOM 357 C LYS A 26 -6.347 -17.211 5.287 1.00 0.00 C ATOM 358 O LYS A 26 -6.518 -18.273 5.883 1.00 0.00 O ATOM 359 CB LYS A 26 -7.755 -16.750 3.196 1.00 0.00 C ATOM 360 CG LYS A 26 -8.734 -17.909 3.002 1.00 0.00 C ATOM 361 CD LYS A 26 -9.988 -17.448 2.256 1.00 0.00 C ATOM 362 CE LYS A 26 -10.470 -18.522 1.278 1.00 0.00 C ATOM 363 NZ LYS A 26 -11.775 -18.142 0.692 1.00 0.00 N ATOM 0 H LYS A 26 -7.642 -14.445 4.119 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.432 -16.819 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.139 -15.858 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.802 -16.991 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.249 -18.710 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.014 -18.320 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.778 -17.221 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.775 -16.527 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.734 -18.657 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.561 -19.478 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.087 -18.882 0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.479 -18.036 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.677 -17.241 0.182 1.00 0.00 H new ATOM 377 N CYS A 27 -5.170 -16.629 5.111 1.00 0.00 N ATOM 378 CA CYS A 27 -3.953 -17.230 5.632 1.00 0.00 C ATOM 379 C CYS A 27 -4.025 -17.213 7.160 1.00 0.00 C ATOM 380 O CYS A 27 -3.947 -18.260 7.800 1.00 0.00 O ATOM 381 CB CYS A 27 -2.703 -16.518 5.111 1.00 0.00 C ATOM 382 SG CYS A 27 -2.623 -16.341 3.291 1.00 0.00 S ATOM 0 H CYS A 27 -5.033 -15.748 4.615 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.875 -18.260 5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.653 -15.526 5.561 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.823 -17.066 5.448 1.00 0.00 H new ATOM 387 N ALA A 28 -4.172 -16.012 7.700 1.00 0.00 N ATOM 388 CA ALA A 28 -4.254 -15.845 9.141 1.00 0.00 C ATOM 389 C ALA A 28 -5.128 -16.955 9.730 1.00 0.00 C ATOM 390 O ALA A 28 -4.714 -17.650 10.656 1.00 0.00 O ATOM 391 CB ALA A 28 -4.790 -14.449 9.464 1.00 0.00 C ATOM 0 H ALA A 28 -4.236 -15.146 7.166 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.266 -15.928 9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.851 -14.324 10.545 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.119 -13.697 9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.782 -14.330 9.028 1.00 0.00 H new ATOM 397 N GLU A 29 -6.321 -17.086 9.168 1.00 0.00 N ATOM 398 CA GLU A 29 -7.256 -18.099 9.625 1.00 0.00 C ATOM 399 C GLU A 29 -6.577 -19.469 9.667 1.00 0.00 C ATOM 400 O GLU A 29 -6.546 -20.119 10.711 1.00 0.00 O ATOM 401 CB GLU A 29 -8.504 -18.133 8.740 1.00 0.00 C ATOM 402 CG GLU A 29 -9.542 -17.115 9.217 1.00 0.00 C ATOM 403 CD GLU A 29 -9.962 -17.396 10.661 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.752 -18.347 10.848 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.484 -16.654 11.546 1.00 0.00 O ATOM 0 H GLU A 29 -6.661 -16.507 8.400 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.574 -17.842 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.228 -17.920 7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.937 -19.133 8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.130 -16.109 9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.416 -17.150 8.567 1.00 0.00 H new ATOM 412 N SER A 30 -6.049 -19.867 8.519 1.00 0.00 N ATOM 413 CA SER A 30 -5.371 -21.148 8.411 1.00 0.00 C ATOM 414 C SER A 30 -4.151 -21.174 9.334 1.00 0.00 C ATOM 415 O SER A 30 -3.709 -22.242 9.754 1.00 0.00 O ATOM 416 CB SER A 30 -4.951 -21.430 6.967 1.00 0.00 C ATOM 417 OG SER A 30 -5.622 -22.565 6.428 1.00 0.00 O ATOM 0 H SER A 30 -6.077 -19.325 7.655 1.00 0.00 H new ATOM 0 HA SER A 30 -6.067 -21.929 8.717 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.164 -20.557 6.350 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.874 -21.593 6.928 1.00 0.00 H new ATOM 0 HG SER A 30 -5.328 -22.711 5.505 1.00 0.00 H new ATOM 423 N CYS A 31 -3.641 -19.985 9.621 1.00 0.00 N ATOM 424 CA CYS A 31 -2.480 -19.858 10.485 1.00 0.00 C ATOM 425 C CYS A 31 -2.944 -19.304 11.834 1.00 0.00 C ATOM 426 O CYS A 31 -2.394 -18.320 12.327 1.00 0.00 O ATOM 427 CB CYS A 31 -1.396 -18.984 9.852 1.00 0.00 C ATOM 428 SG CYS A 31 -0.869 -19.507 8.179 1.00 0.00 S ATOM 0 H CYS A 31 -4.011 -19.101 9.270 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.024 -20.837 10.632 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.761 -17.958 9.799 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.525 -18.979 10.507 1.00 0.00 H new ATOM 433 N GLU A 32 -3.951 -19.959 12.392 1.00 0.00 N ATOM 434 CA GLU A 32 -4.495 -19.544 13.674 1.00 0.00 C ATOM 435 C GLU A 32 -3.574 -19.991 14.811 1.00 0.00 C ATOM 436 O GLU A 32 -3.293 -19.219 15.727 1.00 0.00 O ATOM 437 CB GLU A 32 -5.912 -20.088 13.870 1.00 0.00 C ATOM 438 CG GLU A 32 -6.937 -18.952 13.886 1.00 0.00 C ATOM 439 CD GLU A 32 -6.912 -18.209 15.223 1.00 0.00 C ATOM 440 OE1 GLU A 32 -6.072 -17.291 15.346 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.732 -18.576 16.092 1.00 0.00 O ATOM 0 H GLU A 32 -4.405 -20.774 11.980 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.554 -18.456 13.687 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.151 -20.787 13.069 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.966 -20.645 14.806 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.726 -18.255 13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.934 -19.355 13.708 1.00 0.00 H new ATOM 448 N THR A 33 -3.130 -21.236 14.716 1.00 0.00 N ATOM 449 CA THR A 33 -2.247 -21.794 15.725 1.00 0.00 C ATOM 450 C THR A 33 -1.056 -22.492 15.065 1.00 0.00 C ATOM 451 O THR A 33 -0.916 -23.710 15.156 1.00 0.00 O ATOM 452 CB THR A 33 -3.075 -22.721 16.617 1.00 0.00 C ATOM 453 OG1 THR A 33 -3.446 -23.793 15.755 1.00 0.00 O ATOM 454 CG2 THR A 33 -4.409 -22.097 17.031 1.00 0.00 C ATOM 0 H THR A 33 -3.366 -21.874 13.956 1.00 0.00 H new ATOM 0 HA THR A 33 -1.819 -21.012 16.352 1.00 0.00 H new ATOM 0 HB THR A 33 -2.501 -22.975 17.508 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.640 -24.209 15.385 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.957 -22.796 17.663 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.224 -21.176 17.584 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.998 -21.874 16.141 1.00 0.00 H new ATOM 462 N SER A 34 -0.227 -21.688 14.414 1.00 0.00 N ATOM 463 CA SER A 34 0.947 -22.213 13.738 1.00 0.00 C ATOM 464 C SER A 34 2.215 -21.762 14.467 1.00 0.00 C ATOM 465 O SER A 34 2.236 -20.697 15.081 1.00 0.00 O ATOM 466 CB SER A 34 0.988 -21.765 12.276 1.00 0.00 C ATOM 467 OG SER A 34 1.172 -22.862 11.386 1.00 0.00 O ATOM 0 H SER A 34 -0.345 -20.678 14.341 1.00 0.00 H new ATOM 0 HA SER A 34 0.893 -23.302 13.754 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.060 -21.249 12.029 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.797 -21.048 12.139 1.00 0.00 H new ATOM 0 HG SER A 34 1.152 -22.540 10.461 1.00 0.00 H new ATOM 473 N ALA A 35 3.241 -22.595 14.373 1.00 0.00 N ATOM 474 CA ALA A 35 4.509 -22.296 15.016 1.00 0.00 C ATOM 475 C ALA A 35 4.840 -20.815 14.816 1.00 0.00 C ATOM 476 O ALA A 35 4.815 -20.036 15.767 1.00 0.00 O ATOM 477 CB ALA A 35 5.595 -23.217 14.456 1.00 0.00 C ATOM 0 H ALA A 35 3.220 -23.477 13.861 1.00 0.00 H new ATOM 0 HA ALA A 35 4.448 -22.479 16.089 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.546 -22.993 14.938 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.326 -24.256 14.649 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.687 -23.060 13.381 1.00 0.00 H new ATOM 483 N ASP A 36 5.144 -20.473 13.572 1.00 0.00 N ATOM 484 CA ASP A 36 5.479 -19.100 13.235 1.00 0.00 C ATOM 485 C ASP A 36 4.331 -18.480 12.436 1.00 0.00 C ATOM 486 O ASP A 36 4.299 -18.578 11.211 1.00 0.00 O ATOM 487 CB ASP A 36 6.742 -19.037 12.374 1.00 0.00 C ATOM 488 CG ASP A 36 8.015 -19.543 13.055 1.00 0.00 C ATOM 489 OD1 ASP A 36 8.141 -20.781 13.175 1.00 0.00 O ATOM 490 OD2 ASP A 36 8.834 -18.681 13.440 1.00 0.00 O ATOM 0 H ASP A 36 5.165 -21.123 12.786 1.00 0.00 H new ATOM 0 HA ASP A 36 5.648 -18.557 14.165 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.576 -19.621 11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.900 -18.004 12.063 1.00 0.00 H new ATOM 495 N LYS A 37 3.416 -17.855 13.163 1.00 0.00 N ATOM 496 CA LYS A 37 2.269 -17.219 12.538 1.00 0.00 C ATOM 497 C LYS A 37 2.756 -16.225 11.482 1.00 0.00 C ATOM 498 O LYS A 37 2.242 -16.199 10.365 1.00 0.00 O ATOM 499 CB LYS A 37 1.359 -16.594 13.597 1.00 0.00 C ATOM 500 CG LYS A 37 -0.006 -17.285 13.623 1.00 0.00 C ATOM 501 CD LYS A 37 -0.889 -16.713 14.734 1.00 0.00 C ATOM 502 CE LYS A 37 -1.563 -15.415 14.286 1.00 0.00 C ATOM 503 NZ LYS A 37 -1.239 -14.313 15.219 1.00 0.00 N ATOM 0 H LYS A 37 3.446 -17.776 14.179 1.00 0.00 H new ATOM 0 HA LYS A 37 1.657 -17.959 12.022 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.829 -16.672 14.577 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.229 -15.532 13.389 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.500 -17.159 12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.127 -18.356 13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.648 -17.444 15.012 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.286 -16.526 15.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.234 -15.156 13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.643 -15.556 14.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.705 -13.440 14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.575 -14.556 16.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.209 -14.168 15.241 1.00 0.00 H new ATOM 517 N LYS A 38 3.742 -15.430 11.872 1.00 0.00 N ATOM 518 CA LYS A 38 4.303 -14.437 10.973 1.00 0.00 C ATOM 519 C LYS A 38 4.748 -15.120 9.678 1.00 0.00 C ATOM 520 O LYS A 38 4.208 -14.842 8.609 1.00 0.00 O ATOM 521 CB LYS A 38 5.418 -13.654 11.669 1.00 0.00 C ATOM 522 CG LYS A 38 5.395 -12.181 11.255 1.00 0.00 C ATOM 523 CD LYS A 38 4.574 -11.347 12.241 1.00 0.00 C ATOM 524 CE LYS A 38 4.690 -9.854 11.926 1.00 0.00 C ATOM 525 NZ LYS A 38 5.551 -9.179 12.922 1.00 0.00 N ATOM 0 H LYS A 38 4.167 -15.454 12.799 1.00 0.00 H new ATOM 0 HA LYS A 38 3.548 -13.700 10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.303 -13.733 12.750 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.385 -14.091 11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.414 -11.797 11.208 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.973 -12.087 10.254 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.528 -11.651 12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.919 -11.536 13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.104 -9.718 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.700 -9.399 11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.619 -8.167 12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.140 -9.293 13.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.501 -9.602 12.904 1.00 0.00 H new ATOM 539 N THR A 39 5.727 -16.002 9.818 1.00 0.00 N ATOM 540 CA THR A 39 6.250 -16.727 8.673 1.00 0.00 C ATOM 541 C THR A 39 5.109 -17.373 7.884 1.00 0.00 C ATOM 542 O THR A 39 5.056 -17.264 6.660 1.00 0.00 O ATOM 543 CB THR A 39 7.282 -17.735 9.183 1.00 0.00 C ATOM 544 OG1 THR A 39 8.111 -16.971 10.056 1.00 0.00 O ATOM 545 CG2 THR A 39 8.235 -18.205 8.082 1.00 0.00 C ATOM 0 H THR A 39 6.172 -16.231 10.707 1.00 0.00 H new ATOM 0 HA THR A 39 6.748 -16.055 7.974 1.00 0.00 H new ATOM 0 HB THR A 39 6.768 -18.596 9.610 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.808 -17.548 10.433 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.947 -18.919 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.664 -18.683 7.286 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.774 -17.348 7.677 1.00 0.00 H new ATOM 553 N CYS A 40 4.223 -18.031 8.618 1.00 0.00 N ATOM 554 CA CYS A 40 3.087 -18.695 8.003 1.00 0.00 C ATOM 555 C CYS A 40 2.444 -17.724 7.009 1.00 0.00 C ATOM 556 O CYS A 40 2.444 -17.974 5.804 1.00 0.00 O ATOM 557 CB CYS A 40 2.084 -19.187 9.049 1.00 0.00 C ATOM 558 SG CYS A 40 0.918 -20.465 8.453 1.00 0.00 S ATOM 0 H CYS A 40 4.269 -18.118 9.633 1.00 0.00 H new ATOM 0 HA CYS A 40 3.426 -19.585 7.474 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.635 -19.587 9.900 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.511 -18.334 9.412 1.00 0.00 H new ATOM 563 N ARG A 41 1.913 -16.638 7.551 1.00 0.00 N ATOM 564 CA ARG A 41 1.269 -15.629 6.727 1.00 0.00 C ATOM 565 C ARG A 41 2.259 -15.067 5.705 1.00 0.00 C ATOM 566 O ARG A 41 1.979 -15.049 4.508 1.00 0.00 O ATOM 567 CB ARG A 41 0.724 -14.484 7.583 1.00 0.00 C ATOM 568 CG ARG A 41 -0.569 -14.895 8.289 1.00 0.00 C ATOM 569 CD ARG A 41 -1.098 -13.760 9.169 1.00 0.00 C ATOM 570 NE ARG A 41 -1.348 -12.556 8.345 1.00 0.00 N ATOM 571 CZ ARG A 41 -1.693 -11.362 8.846 1.00 0.00 C ATOM 572 NH1 ARG A 41 -1.831 -11.205 10.170 1.00 0.00 N ATOM 573 NH2 ARG A 41 -1.900 -10.325 8.024 1.00 0.00 N ATOM 0 H ARG A 41 1.915 -16.435 8.551 1.00 0.00 H new ATOM 0 HA ARG A 41 0.438 -16.106 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.469 -14.192 8.323 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.539 -13.612 6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.321 -15.167 7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.389 -15.780 8.900 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.019 -14.070 9.663 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.377 -13.531 9.954 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.252 -12.640 7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.673 -11.994 10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.094 -10.296 10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.795 -10.444 7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.163 -9.416 8.406 1.00 0.00 H new ATOM 587 N ARG A 42 3.398 -14.621 6.216 1.00 0.00 N ATOM 588 CA ARG A 42 4.432 -14.060 5.363 1.00 0.00 C ATOM 589 C ARG A 42 4.598 -14.909 4.102 1.00 0.00 C ATOM 590 O ARG A 42 4.387 -14.425 2.991 1.00 0.00 O ATOM 591 CB ARG A 42 5.771 -13.983 6.099 1.00 0.00 C ATOM 592 CG ARG A 42 6.099 -12.541 6.492 1.00 0.00 C ATOM 593 CD ARG A 42 5.630 -12.241 7.917 1.00 0.00 C ATOM 594 NE ARG A 42 6.093 -10.898 8.331 1.00 0.00 N ATOM 595 CZ ARG A 42 7.375 -10.584 8.562 1.00 0.00 C ATOM 596 NH1 ARG A 42 8.329 -11.514 8.421 1.00 0.00 N ATOM 597 NH2 ARG A 42 7.703 -9.339 8.933 1.00 0.00 N ATOM 0 H ARG A 42 3.627 -14.637 7.210 1.00 0.00 H new ATOM 0 HA ARG A 42 4.124 -13.051 5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.736 -14.608 6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.563 -14.379 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.174 -12.375 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.621 -11.853 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.542 -12.291 7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.017 -12.995 8.602 1.00 0.00 H new ATOM 0 HE ARG A 42 5.393 -10.166 8.448 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.080 -12.462 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.305 -11.274 8.597 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.977 -8.631 9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.679 -9.100 9.109 1.00 0.00 H new ATOM 611 N ASN A 43 4.976 -16.161 4.315 1.00 0.00 N ATOM 612 CA ASN A 43 5.174 -17.082 3.209 1.00 0.00 C ATOM 613 C ASN A 43 3.881 -17.183 2.398 1.00 0.00 C ATOM 614 O ASN A 43 3.918 -17.421 1.191 1.00 0.00 O ATOM 615 CB ASN A 43 5.525 -18.483 3.715 1.00 0.00 C ATOM 616 CG ASN A 43 6.356 -19.247 2.682 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.114 -19.190 1.488 1.00 0.00 O ATOM 618 ND2 ASN A 43 7.346 -19.963 3.207 1.00 0.00 N ATOM 0 H ASN A 43 5.150 -16.559 5.238 1.00 0.00 H new ATOM 0 HA ASN A 43 5.993 -16.704 2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.080 -18.407 4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.610 -19.035 3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.958 -20.509 2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.493 -19.966 4.216 1.00 0.00 H new ATOM 625 N CYS A 44 2.768 -16.997 3.092 1.00 0.00 N ATOM 626 CA CYS A 44 1.466 -17.064 2.451 1.00 0.00 C ATOM 627 C CYS A 44 1.332 -15.865 1.509 1.00 0.00 C ATOM 628 O CYS A 44 0.557 -15.905 0.555 1.00 0.00 O ATOM 629 CB CYS A 44 0.332 -17.112 3.477 1.00 0.00 C ATOM 630 SG CYS A 44 -1.230 -17.841 2.861 1.00 0.00 S ATOM 0 H CYS A 44 2.741 -16.800 4.092 1.00 0.00 H new ATOM 0 HA CYS A 44 1.388 -17.987 1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.667 -17.684 4.342 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.132 -16.098 3.824 1.00 0.00 H new ATOM 635 N LYS A 45 2.099 -14.828 1.810 1.00 0.00 N ATOM 636 CA LYS A 45 2.076 -13.621 1.002 1.00 0.00 C ATOM 637 C LYS A 45 2.585 -13.943 -0.404 1.00 0.00 C ATOM 638 O LYS A 45 2.046 -13.446 -1.392 1.00 0.00 O ATOM 639 CB LYS A 45 2.852 -12.498 1.694 1.00 0.00 C ATOM 640 CG LYS A 45 2.564 -11.147 1.037 1.00 0.00 C ATOM 641 CD LYS A 45 2.879 -9.994 1.993 1.00 0.00 C ATOM 642 CE LYS A 45 4.329 -9.531 1.834 1.00 0.00 C ATOM 643 NZ LYS A 45 5.161 -10.041 2.946 1.00 0.00 N ATOM 0 H LYS A 45 2.740 -14.799 2.602 1.00 0.00 H new ATOM 0 HA LYS A 45 1.055 -13.254 0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.579 -12.459 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.921 -12.708 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.160 -11.045 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.517 -11.100 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.204 -9.161 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.705 -10.311 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.727 -9.884 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.369 -8.442 1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.142 -9.718 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.790 -9.684 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.137 -11.081 2.949 1.00 0.00 H new ATOM 657 N LYS A 46 3.616 -14.774 -0.450 1.00 0.00 N ATOM 658 CA LYS A 46 4.203 -15.169 -1.719 1.00 0.00 C ATOM 659 C LYS A 46 3.535 -16.456 -2.207 1.00 0.00 C ATOM 660 O LYS A 46 3.695 -16.843 -3.363 1.00 0.00 O ATOM 661 CB LYS A 46 5.725 -15.275 -1.596 1.00 0.00 C ATOM 662 CG LYS A 46 6.388 -13.912 -1.805 1.00 0.00 C ATOM 663 CD LYS A 46 7.482 -13.993 -2.871 1.00 0.00 C ATOM 664 CE LYS A 46 8.339 -12.725 -2.875 1.00 0.00 C ATOM 665 NZ LYS A 46 8.752 -12.382 -4.254 1.00 0.00 N ATOM 0 H LYS A 46 4.060 -15.185 0.371 1.00 0.00 H new ATOM 0 HA LYS A 46 4.020 -14.407 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.988 -15.664 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.104 -15.985 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.637 -13.180 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.816 -13.564 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.113 -14.862 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.029 -14.133 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.777 -11.898 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.221 -12.873 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.466 -11.626 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.156 -13.222 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.925 -12.056 -4.793 1.00 0.00 H new ATOM 679 N ALA A 47 2.800 -17.083 -1.300 1.00 0.00 N ATOM 680 CA ALA A 47 2.106 -18.319 -1.624 1.00 0.00 C ATOM 681 C ALA A 47 1.152 -18.071 -2.794 1.00 0.00 C ATOM 682 O ALA A 47 1.256 -18.722 -3.832 1.00 0.00 O ATOM 683 CB ALA A 47 1.382 -18.838 -0.380 1.00 0.00 C ATOM 0 H ALA A 47 2.670 -16.759 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 47 2.814 -19.088 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.861 -19.765 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.108 -19.025 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.660 -18.094 -0.042 1.00 0.00 H new ATOM 689 N ASP A 48 0.243 -17.130 -2.586 1.00 0.00 N ATOM 690 CA ASP A 48 -0.729 -16.789 -3.610 1.00 0.00 C ATOM 691 C ASP A 48 -1.263 -15.378 -3.351 1.00 0.00 C ATOM 692 O ASP A 48 -2.466 -15.140 -3.440 1.00 0.00 O ATOM 693 CB ASP A 48 -1.915 -17.754 -3.587 1.00 0.00 C ATOM 694 CG ASP A 48 -2.612 -17.955 -4.934 1.00 0.00 C ATOM 695 OD1 ASP A 48 -1.965 -18.548 -5.824 1.00 0.00 O ATOM 696 OD2 ASP A 48 -3.775 -17.511 -5.043 1.00 0.00 O ATOM 0 H ASP A 48 0.159 -16.593 -1.723 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.233 -16.850 -4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.569 -18.723 -3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.647 -17.389 -2.867 1.00 0.00 H new ATOM 701 N CYS A 49 -0.341 -14.480 -3.036 1.00 0.00 N ATOM 702 CA CYS A 49 -0.703 -13.099 -2.764 1.00 0.00 C ATOM 703 C CYS A 49 0.403 -12.195 -3.310 1.00 0.00 C ATOM 704 O CYS A 49 0.529 -11.044 -2.897 1.00 0.00 O ATOM 705 CB CYS A 49 -0.950 -12.863 -1.272 1.00 0.00 C ATOM 706 SG CYS A 49 -1.582 -14.317 -0.359 1.00 0.00 S ATOM 0 H CYS A 49 0.656 -14.682 -2.963 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.643 -12.862 -3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.017 -12.539 -0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.661 -12.045 -1.161 1.00 0.00 H new ATOM 711 N GLU A 50 1.178 -12.751 -4.230 1.00 0.00 N ATOM 712 CA GLU A 50 2.270 -12.010 -4.837 1.00 0.00 C ATOM 713 C GLU A 50 1.723 -10.885 -5.718 1.00 0.00 C ATOM 714 O GLU A 50 2.151 -9.738 -5.603 1.00 0.00 O ATOM 715 CB GLU A 50 3.185 -12.938 -5.638 1.00 0.00 C ATOM 716 CG GLU A 50 4.469 -13.244 -4.865 1.00 0.00 C ATOM 717 CD GLU A 50 5.689 -13.197 -5.787 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.954 -12.098 -6.321 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.329 -14.260 -5.937 1.00 0.00 O ATOM 0 H GLU A 50 1.071 -13.707 -4.570 1.00 0.00 H new ATOM 0 HA GLU A 50 2.867 -11.565 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.661 -13.867 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.433 -12.474 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.592 -12.523 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.394 -14.229 -4.405 1.00 0.00 H new ATOM 726 N PRO A 51 0.759 -11.263 -6.600 1.00 0.00 N ATOM 727 CA PRO A 51 0.149 -10.299 -7.500 1.00 0.00 C ATOM 728 C PRO A 51 -0.839 -9.400 -6.753 1.00 0.00 C ATOM 729 O PRO A 51 -0.926 -8.204 -7.028 1.00 0.00 O ATOM 730 CB PRO A 51 -0.512 -11.136 -8.583 1.00 0.00 C ATOM 731 CG PRO A 51 -0.646 -12.535 -8.005 1.00 0.00 C ATOM 732 CD PRO A 51 0.227 -12.612 -6.763 1.00 0.00 C ATOM 0 HA PRO A 51 0.874 -9.611 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.487 -10.729 -8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.090 -11.145 -9.492 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.686 -12.747 -7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.336 -13.281 -8.736 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.351 -12.918 -5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.028 -13.341 -6.886 1.00 0.00 H new ATOM 740 N GLN A 52 -1.557 -10.010 -5.822 1.00 0.00 N ATOM 741 CA GLN A 52 -2.535 -9.280 -5.033 1.00 0.00 C ATOM 742 C GLN A 52 -1.852 -8.161 -4.244 1.00 0.00 C ATOM 743 O GLN A 52 -2.332 -7.029 -4.225 1.00 0.00 O ATOM 744 CB GLN A 52 -3.299 -10.221 -4.100 1.00 0.00 C ATOM 745 CG GLN A 52 -4.084 -11.265 -4.896 1.00 0.00 C ATOM 746 CD GLN A 52 -4.874 -12.186 -3.964 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.320 -11.797 -2.897 1.00 0.00 O ATOM 748 NE2 GLN A 52 -5.021 -13.425 -4.425 1.00 0.00 N ATOM 0 H GLN A 52 -1.481 -11.002 -5.596 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.258 -8.829 -5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.600 -10.720 -3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.982 -9.645 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.767 -10.765 -5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.398 -11.857 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.622 -13.684 -5.327 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.533 -14.116 -3.876 1.00 0.00 H new ATOM 757 N ASP A 53 -0.743 -8.517 -3.613 1.00 0.00 N ATOM 758 CA ASP A 53 0.011 -7.557 -2.825 1.00 0.00 C ATOM 759 C ASP A 53 0.493 -6.424 -3.734 1.00 0.00 C ATOM 760 O ASP A 53 0.540 -5.267 -3.318 1.00 0.00 O ATOM 761 CB ASP A 53 1.240 -8.209 -2.190 1.00 0.00 C ATOM 762 CG ASP A 53 1.877 -7.415 -1.048 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.396 -6.287 -0.805 1.00 0.00 O ATOM 764 OD2 ASP A 53 2.829 -7.954 -0.444 1.00 0.00 O ATOM 0 H ASP A 53 -0.348 -9.457 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.643 -7.179 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.958 -9.193 -1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.990 -8.367 -2.965 1.00 0.00 H new ATOM 769 N LYS A 54 0.838 -6.796 -4.957 1.00 0.00 N ATOM 770 CA LYS A 54 1.315 -5.826 -5.928 1.00 0.00 C ATOM 771 C LYS A 54 0.200 -4.823 -6.230 1.00 0.00 C ATOM 772 O LYS A 54 0.357 -3.626 -5.996 1.00 0.00 O ATOM 773 CB LYS A 54 1.858 -6.534 -7.171 1.00 0.00 C ATOM 774 CG LYS A 54 3.248 -7.117 -6.906 1.00 0.00 C ATOM 775 CD LYS A 54 3.830 -7.746 -8.174 1.00 0.00 C ATOM 776 CE LYS A 54 5.119 -7.038 -8.596 1.00 0.00 C ATOM 777 NZ LYS A 54 6.271 -7.559 -7.826 1.00 0.00 N ATOM 0 H LYS A 54 0.797 -7.756 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 54 2.153 -5.260 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.176 -7.331 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.907 -5.831 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.913 -6.332 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.187 -7.868 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.032 -8.803 -8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.099 -7.689 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.290 -7.186 -9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.021 -5.964 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.138 -7.068 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.112 -7.396 -6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.373 -8.579 -8.001 1.00 0.00 H new ATOM 791 N VAL A 55 -0.902 -5.349 -6.746 1.00 0.00 N ATOM 792 CA VAL A 55 -2.042 -4.514 -7.082 1.00 0.00 C ATOM 793 C VAL A 55 -2.288 -3.513 -5.951 1.00 0.00 C ATOM 794 O VAL A 55 -2.814 -2.426 -6.183 1.00 0.00 O ATOM 795 CB VAL A 55 -3.261 -5.390 -7.380 1.00 0.00 C ATOM 796 CG1 VAL A 55 -4.510 -4.534 -7.600 1.00 0.00 C ATOM 797 CG2 VAL A 55 -3.002 -6.300 -8.582 1.00 0.00 C ATOM 0 H VAL A 55 -1.029 -6.342 -6.939 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.841 -3.939 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.438 -6.025 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.362 -5.181 -7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.712 -3.948 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.347 -3.863 -8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.884 -6.912 -8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.787 -5.691 -9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.150 -6.947 -8.372 1.00 0.00 H new ATOM 807 N CYS A 56 -1.895 -3.916 -4.752 1.00 0.00 N ATOM 808 CA CYS A 56 -2.065 -3.068 -3.584 1.00 0.00 C ATOM 809 C CYS A 56 -0.844 -2.153 -3.473 1.00 0.00 C ATOM 810 O CYS A 56 -0.976 -0.930 -3.507 1.00 0.00 O ATOM 811 CB CYS A 56 -2.279 -3.892 -2.313 1.00 0.00 C ATOM 812 SG CYS A 56 -2.399 -2.910 -0.773 1.00 0.00 S ATOM 0 H CYS A 56 -1.459 -4.819 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.963 -2.461 -3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.191 -4.478 -2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.456 -4.600 -2.213 1.00 0.00 H new ATOM 817 N ASP A 57 0.315 -2.780 -3.342 1.00 0.00 N ATOM 818 CA ASP A 57 1.559 -2.037 -3.225 1.00 0.00 C ATOM 819 C ASP A 57 1.526 -0.843 -4.182 1.00 0.00 C ATOM 820 O ASP A 57 2.085 0.212 -3.883 1.00 0.00 O ATOM 821 CB ASP A 57 2.759 -2.909 -3.599 1.00 0.00 C ATOM 822 CG ASP A 57 3.932 -2.848 -2.619 1.00 0.00 C ATOM 823 OD1 ASP A 57 3.790 -3.438 -1.526 1.00 0.00 O ATOM 824 OD2 ASP A 57 4.945 -2.214 -2.986 1.00 0.00 O ATOM 0 H ASP A 57 0.420 -3.794 -3.314 1.00 0.00 H new ATOM 0 HA ASP A 57 1.660 -1.709 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.426 -3.944 -3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.113 -2.610 -4.586 1.00 0.00 H new ATOM 829 N ALA A 58 0.866 -1.049 -5.312 1.00 0.00 N ATOM 830 CA ALA A 58 0.753 -0.002 -6.314 1.00 0.00 C ATOM 831 C ALA A 58 -0.089 1.146 -5.753 1.00 0.00 C ATOM 832 O ALA A 58 0.355 2.293 -5.730 1.00 0.00 O ATOM 833 CB ALA A 58 0.161 -0.587 -7.598 1.00 0.00 C ATOM 0 H ALA A 58 0.404 -1.925 -5.556 1.00 0.00 H new ATOM 0 HA ALA A 58 1.735 0.401 -6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.076 0.198 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.811 -1.378 -7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.827 -0.998 -7.389 1.00 0.00 H new ATOM 839 N CYS A 59 -1.290 0.798 -5.315 1.00 0.00 N ATOM 840 CA CYS A 59 -2.198 1.785 -4.756 1.00 0.00 C ATOM 841 C CYS A 59 -1.448 2.572 -3.680 1.00 0.00 C ATOM 842 O CYS A 59 -1.765 3.732 -3.421 1.00 0.00 O ATOM 843 CB CYS A 59 -3.470 1.136 -4.207 1.00 0.00 C ATOM 844 SG CYS A 59 -4.834 2.303 -3.850 1.00 0.00 S ATOM 0 H CYS A 59 -1.655 -0.154 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.527 2.467 -5.540 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.823 0.396 -4.925 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.221 0.599 -3.292 1.00 0.00 H new ATOM 849 N ARG A 60 -0.469 1.910 -3.082 1.00 0.00 N ATOM 850 CA ARG A 60 0.329 2.534 -2.040 1.00 0.00 C ATOM 851 C ARG A 60 1.432 3.395 -2.658 1.00 0.00 C ATOM 852 O ARG A 60 1.889 4.358 -2.046 1.00 0.00 O ATOM 853 CB ARG A 60 0.963 1.482 -1.128 1.00 0.00 C ATOM 854 CG ARG A 60 -0.069 0.900 -0.160 1.00 0.00 C ATOM 855 CD ARG A 60 0.557 0.622 1.208 1.00 0.00 C ATOM 856 NE ARG A 60 0.515 1.844 2.042 1.00 0.00 N ATOM 857 CZ ARG A 60 1.298 2.052 3.110 1.00 0.00 C ATOM 858 NH1 ARG A 60 2.188 1.121 3.480 1.00 0.00 N ATOM 859 NH2 ARG A 60 1.191 3.191 3.807 1.00 0.00 N ATOM 0 H ARG A 60 -0.210 0.948 -3.299 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.335 3.162 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.391 0.682 -1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.782 1.930 -0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.901 1.596 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.478 -0.023 -0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.020 -0.186 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.588 0.291 1.085 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.151 2.573 1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.270 0.254 2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.784 1.279 4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.514 3.900 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.787 3.349 4.620 1.00 0.00 H new ATOM 873 N MET A 61 1.827 3.016 -3.865 1.00 0.00 N ATOM 874 CA MET A 61 2.868 3.741 -4.573 1.00 0.00 C ATOM 875 C MET A 61 2.291 4.959 -5.298 1.00 0.00 C ATOM 876 O MET A 61 3.037 5.818 -5.766 1.00 0.00 O ATOM 877 CB MET A 61 3.537 2.812 -5.588 1.00 0.00 C ATOM 878 CG MET A 61 2.866 2.923 -6.959 1.00 0.00 C ATOM 879 SD MET A 61 3.824 3.990 -8.023 1.00 0.00 S ATOM 880 CE MET A 61 2.676 4.190 -9.375 1.00 0.00 C ATOM 0 H MET A 61 1.445 2.217 -4.370 1.00 0.00 H new ATOM 0 HA MET A 61 3.602 4.088 -3.846 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.594 3.064 -5.675 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.483 1.782 -5.235 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.774 1.935 -7.409 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.856 3.318 -6.848 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.208 4.092 -10.321 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.903 3.424 -9.312 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.215 5.176 -9.318 1.00 0.00 H new ATOM 890 N LYS A 62 0.969 4.995 -5.368 1.00 0.00 N ATOM 891 CA LYS A 62 0.284 6.093 -6.028 1.00 0.00 C ATOM 892 C LYS A 62 -0.146 7.123 -4.981 1.00 0.00 C ATOM 893 O LYS A 62 0.262 8.281 -5.041 1.00 0.00 O ATOM 894 CB LYS A 62 -0.871 5.568 -6.883 1.00 0.00 C ATOM 895 CG LYS A 62 -0.357 5.001 -8.209 1.00 0.00 C ATOM 896 CD LYS A 62 -1.443 4.186 -8.914 1.00 0.00 C ATOM 897 CE LYS A 62 -0.948 3.668 -10.266 1.00 0.00 C ATOM 898 NZ LYS A 62 -2.086 3.467 -11.192 1.00 0.00 N ATOM 0 H LYS A 62 0.353 4.281 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 62 0.957 6.601 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.410 4.794 -6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.580 6.373 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.032 5.816 -8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.514 4.372 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.739 3.346 -8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.329 4.803 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.241 4.377 -10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.413 2.728 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.733 3.115 -12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.746 2.773 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.580 4.371 -11.337 1.00 0.00 H new ATOM 912 N CYS A 63 -0.965 6.663 -4.046 1.00 0.00 N ATOM 913 CA CYS A 63 -1.454 7.530 -2.988 1.00 0.00 C ATOM 914 C CYS A 63 -0.271 8.325 -2.433 1.00 0.00 C ATOM 915 O CYS A 63 -0.396 9.517 -2.154 1.00 0.00 O ATOM 916 CB CYS A 63 -2.172 6.737 -1.894 1.00 0.00 C ATOM 917 SG CYS A 63 -3.936 7.169 -1.665 1.00 0.00 S ATOM 0 H CYS A 63 -1.302 5.701 -4.000 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.196 8.219 -3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.100 5.675 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.649 6.892 -0.950 1.00 0.00 H new ATOM 922 N HIS A 64 0.850 7.634 -2.289 1.00 0.00 N ATOM 923 CA HIS A 64 2.055 8.262 -1.772 1.00 0.00 C ATOM 924 C HIS A 64 2.312 9.572 -2.519 1.00 0.00 C ATOM 925 O HIS A 64 2.310 10.644 -1.917 1.00 0.00 O ATOM 926 CB HIS A 64 3.241 7.298 -1.841 1.00 0.00 C ATOM 927 CG HIS A 64 4.009 7.177 -0.546 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.371 6.935 -0.503 1.00 0.00 N ATOM 929 CD2 HIS A 64 3.593 7.268 0.749 1.00 0.00 C ATOM 930 CE1 HIS A 64 5.747 6.884 0.767 1.00 0.00 C ATOM 931 NE2 HIS A 64 4.643 7.090 1.541 1.00 0.00 N ATOM 0 H HIS A 64 0.950 6.646 -2.521 1.00 0.00 H new ATOM 0 HA HIS A 64 1.919 8.506 -0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.878 6.312 -2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.921 7.630 -2.625 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.982 6.816 -1.311 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.580 7.454 1.075 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.751 6.710 1.126 1.00 0.00 H new ATOM 939 N LYS A 65 2.526 9.442 -3.820 1.00 0.00 N ATOM 940 CA LYS A 65 2.784 10.603 -4.655 1.00 0.00 C ATOM 941 C LYS A 65 1.557 11.517 -4.644 1.00 0.00 C ATOM 942 O LYS A 65 1.690 12.740 -4.654 1.00 0.00 O ATOM 943 CB LYS A 65 3.214 10.169 -6.058 1.00 0.00 C ATOM 944 CG LYS A 65 4.507 10.871 -6.477 1.00 0.00 C ATOM 945 CD LYS A 65 5.255 10.056 -7.534 1.00 0.00 C ATOM 946 CE LYS A 65 6.769 10.152 -7.330 1.00 0.00 C ATOM 947 NZ LYS A 65 7.460 10.281 -8.633 1.00 0.00 N ATOM 0 H LYS A 65 2.526 8.551 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 65 3.617 11.182 -4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.359 9.089 -6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.423 10.399 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.276 11.861 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.145 11.016 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.943 9.013 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.995 10.418 -8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.003 11.011 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.128 9.266 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.486 10.345 -8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.250 9.449 -9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.129 11.140 -9.118 1.00 0.00 H new ATOM 961 N ALA A 66 0.391 10.889 -4.622 1.00 0.00 N ATOM 962 CA ALA A 66 -0.859 11.630 -4.609 1.00 0.00 C ATOM 963 C ALA A 66 -0.871 12.580 -3.409 1.00 0.00 C ATOM 964 O ALA A 66 -0.978 13.794 -3.574 1.00 0.00 O ATOM 965 CB ALA A 66 -2.034 10.651 -4.589 1.00 0.00 C ATOM 0 H ALA A 66 0.285 9.875 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.955 12.235 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.971 11.208 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.996 10.019 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.973 10.028 -3.697 1.00 0.00 H new ATOM 971 N CYS A 67 -0.759 11.990 -2.227 1.00 0.00 N ATOM 972 CA CYS A 67 -0.756 12.768 -1.000 1.00 0.00 C ATOM 973 C CYS A 67 0.245 13.914 -1.160 1.00 0.00 C ATOM 974 O CYS A 67 -0.056 15.058 -0.824 1.00 0.00 O ATOM 975 CB CYS A 67 -0.440 11.900 0.219 1.00 0.00 C ATOM 976 SG CYS A 67 -0.670 12.730 1.834 1.00 0.00 S ATOM 0 H CYS A 67 -0.670 10.983 -2.094 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.750 13.178 -0.824 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.072 11.013 0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.592 11.558 0.146 1.00 0.00 H new ATOM 981 N ARG A 68 1.416 13.567 -1.674 1.00 0.00 N ATOM 982 CA ARG A 68 2.463 14.552 -1.883 1.00 0.00 C ATOM 983 C ARG A 68 1.958 15.681 -2.784 1.00 0.00 C ATOM 984 O ARG A 68 2.158 16.856 -2.484 1.00 0.00 O ATOM 985 CB ARG A 68 3.699 13.915 -2.520 1.00 0.00 C ATOM 986 CG ARG A 68 4.767 14.969 -2.820 1.00 0.00 C ATOM 987 CD ARG A 68 4.906 15.197 -4.326 1.00 0.00 C ATOM 988 NE ARG A 68 6.289 14.897 -4.758 1.00 0.00 N ATOM 989 CZ ARG A 68 6.667 14.775 -6.038 1.00 0.00 C ATOM 990 NH1 ARG A 68 5.767 14.925 -7.019 1.00 0.00 N ATOM 991 NH2 ARG A 68 7.944 14.502 -6.337 1.00 0.00 N ATOM 0 H ARG A 68 1.663 12.617 -1.952 1.00 0.00 H new ATOM 0 HA ARG A 68 2.738 14.956 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.108 13.158 -1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.416 13.406 -3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.505 15.907 -2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.724 14.650 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.202 14.562 -4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.656 16.229 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 68 6.999 14.775 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.794 15.132 -6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.054 14.832 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.629 14.387 -5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.231 14.409 -7.311 1.00 0.00 H new ATOM 1005 N ALA A 69 1.312 15.283 -3.871 1.00 0.00 N ATOM 1006 CA ALA A 69 0.777 16.247 -4.818 1.00 0.00 C ATOM 1007 C ALA A 69 -0.570 16.762 -4.308 1.00 0.00 C ATOM 1008 O ALA A 69 -1.241 17.536 -4.988 1.00 0.00 O ATOM 1009 CB ALA A 69 0.668 15.599 -6.199 1.00 0.00 C ATOM 0 H ALA A 69 1.147 14.307 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 69 1.444 17.104 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.267 16.322 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.656 15.276 -6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.004 14.736 -6.145 1.00 0.00 H new ATOM 1015 N ALA A 70 -0.926 16.312 -3.113 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.182 16.717 -2.504 1.00 0.00 C ATOM 1017 C ALA A 70 -1.944 17.951 -1.630 1.00 0.00 C ATOM 1018 O ALA A 70 -2.375 19.050 -1.973 1.00 0.00 O ATOM 1019 CB ALA A 70 -2.767 15.546 -1.713 1.00 0.00 C ATOM 0 H ALA A 70 -0.366 15.671 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.910 16.989 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.709 15.850 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.944 14.706 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.066 15.247 -0.934 1.00 0.00 H new ATOM 1025 N ASN A 71 -1.259 17.726 -0.519 1.00 0.00 N ATOM 1026 CA ASN A 71 -0.959 18.805 0.407 1.00 0.00 C ATOM 1027 C ASN A 71 0.376 19.444 0.022 1.00 0.00 C ATOM 1028 O ASN A 71 0.452 20.654 -0.189 1.00 0.00 O ATOM 1029 CB ASN A 71 -0.839 18.284 1.840 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.170 17.709 2.328 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -2.905 18.328 3.081 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -2.439 16.494 1.858 1.00 0.00 N ATOM 0 H ASN A 71 -0.903 16.812 -0.239 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.771 19.530 0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.068 17.515 1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.525 19.093 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.304 16.024 2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.780 16.032 1.231 1.00 0.00 H new ATOM 1039 N CYS A 72 1.397 18.604 -0.057 1.00 0.00 N ATOM 1040 CA CYS A 72 2.726 19.072 -0.412 1.00 0.00 C ATOM 1041 C CYS A 72 2.721 19.453 -1.894 1.00 0.00 C ATOM 1042 O CYS A 72 3.446 18.862 -2.693 1.00 0.00 O ATOM 1043 CB CYS A 72 3.797 18.026 -0.096 1.00 0.00 C ATOM 1044 SG CYS A 72 3.884 17.523 1.662 1.00 0.00 S ATOM 0 H CYS A 72 1.331 17.601 0.119 1.00 0.00 H new ATOM 0 HA CYS A 72 2.978 19.947 0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.611 17.141 -0.704 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.768 18.419 -0.395 1.00 0.00 H new ATOM 1049 N ALA A 73 1.896 20.438 -2.215 1.00 0.00 N ATOM 1050 CA ALA A 73 1.787 20.906 -3.587 1.00 0.00 C ATOM 1051 C ALA A 73 2.826 22.001 -3.832 1.00 0.00 C ATOM 1052 O ALA A 73 3.328 22.148 -4.946 1.00 0.00 O ATOM 1053 CB ALA A 73 0.359 21.388 -3.850 1.00 0.00 C ATOM 0 H ALA A 73 1.296 20.925 -1.549 1.00 0.00 H new ATOM 0 HA ALA A 73 1.992 20.095 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.277 21.739 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.338 20.565 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.119 22.204 -3.168 1.00 0.00 H new ATOM 1059 N SER A 74 3.119 22.742 -2.773 1.00 0.00 N ATOM 1060 CA SER A 74 4.090 23.820 -2.859 1.00 0.00 C ATOM 1061 C SER A 74 5.473 23.313 -2.446 1.00 0.00 C ATOM 1062 O SER A 74 6.453 23.516 -3.162 1.00 0.00 O ATOM 1063 CB SER A 74 3.676 25.005 -1.985 1.00 0.00 C ATOM 1064 OG SER A 74 3.853 26.250 -2.656 1.00 0.00 O ATOM 0 H SER A 74 2.701 22.617 -1.851 1.00 0.00 H new ATOM 0 HA SER A 74 4.130 24.163 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.631 24.894 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.263 25.001 -1.067 1.00 0.00 H new ATOM 0 HG SER A 74 3.576 26.982 -2.066 1.00 0.00 H new ATOM 1070 N GLU A 75 5.509 22.662 -1.292 1.00 0.00 N ATOM 1071 CA GLU A 75 6.756 22.125 -0.774 1.00 0.00 C ATOM 1072 C GLU A 75 7.496 21.353 -1.869 1.00 0.00 C ATOM 1073 O GLU A 75 8.718 21.224 -1.823 1.00 0.00 O ATOM 1074 CB GLU A 75 6.505 21.239 0.448 1.00 0.00 C ATOM 1075 CG GLU A 75 6.355 22.083 1.715 1.00 0.00 C ATOM 1076 CD GLU A 75 5.194 23.071 1.581 1.00 0.00 C ATOM 1077 OE1 GLU A 75 4.155 22.654 1.025 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.372 24.221 2.038 1.00 0.00 O ATOM 0 H GLU A 75 4.695 22.494 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 75 7.384 22.957 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.604 20.646 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.331 20.538 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.186 21.432 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.280 22.627 1.906 1.00 0.00 H new ATOM 1085 N CYS A 76 6.724 20.860 -2.826 1.00 0.00 N ATOM 1086 CA CYS A 76 7.291 20.105 -3.930 1.00 0.00 C ATOM 1087 C CYS A 76 7.018 20.870 -5.227 1.00 0.00 C ATOM 1088 O CYS A 76 5.912 20.816 -5.763 1.00 0.00 O ATOM 1089 CB CYS A 76 6.739 18.679 -3.982 1.00 0.00 C ATOM 1090 SG CYS A 76 6.769 17.786 -2.385 1.00 0.00 S ATOM 0 H CYS A 76 5.710 20.969 -2.860 1.00 0.00 H new ATOM 0 HA CYS A 76 8.367 20.004 -3.789 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.711 18.715 -4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.313 18.109 -4.712 1.00 0.00 H new ATOM 1095 N PRO A 77 8.071 21.585 -5.705 1.00 0.00 N ATOM 1096 CA PRO A 77 7.956 22.360 -6.929 1.00 0.00 C ATOM 1097 C PRO A 77 7.970 21.450 -8.158 1.00 0.00 C ATOM 1098 O PRO A 77 8.319 20.274 -8.061 1.00 0.00 O ATOM 1099 CB PRO A 77 9.127 23.328 -6.893 1.00 0.00 C ATOM 1100 CG PRO A 77 10.114 22.751 -5.891 1.00 0.00 C ATOM 1101 CD PRO A 77 9.396 21.673 -5.097 1.00 0.00 C ATOM 0 HA PRO A 77 7.012 22.900 -6.997 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.583 23.426 -7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.802 24.324 -6.592 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.980 22.334 -6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.484 23.532 -5.227 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.923 20.721 -5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.331 21.936 -4.041 1.00 0.00 H new ATOM 1109 N LYS A 78 7.586 22.027 -9.287 1.00 0.00 N ATOM 1110 CA LYS A 78 7.550 21.283 -10.534 1.00 0.00 C ATOM 1111 C LYS A 78 8.864 21.496 -11.288 1.00 0.00 C ATOM 1112 O LYS A 78 8.861 21.944 -12.434 1.00 0.00 O ATOM 1113 CB LYS A 78 6.308 21.656 -11.345 1.00 0.00 C ATOM 1114 CG LYS A 78 5.582 20.405 -11.844 1.00 0.00 C ATOM 1115 CD LYS A 78 5.957 20.096 -13.295 1.00 0.00 C ATOM 1116 CE LYS A 78 7.056 19.034 -13.363 1.00 0.00 C ATOM 1117 NZ LYS A 78 6.566 17.826 -14.065 1.00 0.00 N ATOM 0 H LYS A 78 7.297 23.002 -9.364 1.00 0.00 H new ATOM 0 HA LYS A 78 7.464 20.214 -10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.633 22.251 -10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.596 22.276 -12.194 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.836 19.555 -11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.505 20.550 -11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.077 19.749 -13.836 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.296 21.007 -13.789 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.926 19.436 -13.882 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.379 18.771 -12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.324 17.115 -14.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.749 17.435 -13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.280 18.079 -15.032 1.00 0.00 H new ATOM 1131 N HIS A 79 9.956 21.165 -10.615 1.00 0.00 N ATOM 1132 CA HIS A 79 11.274 21.314 -11.208 1.00 0.00 C ATOM 1133 C HIS A 79 12.315 20.620 -10.326 1.00 0.00 C ATOM 1134 O HIS A 79 13.425 21.122 -10.159 1.00 0.00 O ATOM 1135 CB HIS A 79 11.595 22.790 -11.454 1.00 0.00 C ATOM 1136 CG HIS A 79 11.888 23.122 -12.898 1.00 0.00 C ATOM 1137 ND1 HIS A 79 12.472 24.314 -13.290 1.00 0.00 N ATOM 1138 CD2 HIS A 79 11.673 22.405 -14.039 1.00 0.00 C ATOM 1139 CE1 HIS A 79 12.596 24.305 -14.609 1.00 0.00 C ATOM 1140 NE2 HIS A 79 12.100 23.122 -15.071 1.00 0.00 N ATOM 0 H HIS A 79 9.955 20.794 -9.665 1.00 0.00 H new ATOM 0 HA HIS A 79 11.295 20.830 -12.184 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.754 23.395 -11.116 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.455 23.071 -10.846 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.231 21.421 -14.093 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.016 25.096 -15.212 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.063 22.835 -16.049 1.00 0.00 H new ATOM 1148 N GLU A 80 11.918 19.478 -9.786 1.00 0.00 N ATOM 1149 CA GLU A 80 12.802 18.710 -8.925 1.00 0.00 C ATOM 1150 C GLU A 80 12.402 17.233 -8.935 1.00 0.00 C ATOM 1151 O GLU A 80 11.481 16.841 -9.649 1.00 0.00 O ATOM 1152 CB GLU A 80 12.802 19.268 -7.501 1.00 0.00 C ATOM 1153 CG GLU A 80 14.186 19.796 -7.118 1.00 0.00 C ATOM 1154 CD GLU A 80 14.351 21.259 -7.536 1.00 0.00 C ATOM 1155 OE1 GLU A 80 13.565 22.086 -7.025 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.258 21.516 -8.356 1.00 0.00 O ATOM 0 H GLU A 80 10.996 19.065 -9.928 1.00 0.00 H new ATOM 0 HA GLU A 80 13.817 18.794 -9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.068 20.070 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.500 18.489 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.329 19.704 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.955 19.189 -7.595 1.00 0.00 H new ATOM 1163 N HIS A 81 13.115 16.455 -8.135 1.00 0.00 N ATOM 1164 CA HIS A 81 12.846 15.030 -8.043 1.00 0.00 C ATOM 1165 C HIS A 81 12.452 14.673 -6.608 1.00 0.00 C ATOM 1166 O HIS A 81 11.452 13.992 -6.386 1.00 0.00 O ATOM 1167 CB HIS A 81 14.040 14.217 -8.549 1.00 0.00 C ATOM 1168 CG HIS A 81 15.370 14.669 -7.992 1.00 0.00 C ATOM 1169 ND1 HIS A 81 16.210 13.828 -7.284 1.00 0.00 N ATOM 1170 CD2 HIS A 81 15.994 15.880 -8.049 1.00 0.00 C ATOM 1171 CE1 HIS A 81 17.289 14.513 -6.934 1.00 0.00 C ATOM 1172 NE2 HIS A 81 17.153 15.785 -7.408 1.00 0.00 N ATOM 0 H HIS A 81 13.879 16.784 -7.544 1.00 0.00 H new ATOM 0 HA HIS A 81 12.006 14.773 -8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 81 13.888 13.169 -8.293 1.00 0.00 H new ATOM 0 HB3 HIS A 81 14.073 14.278 -9.637 1.00 0.00 H new ATOM 0 HD2 HIS A 81 15.611 16.766 -8.533 1.00 0.00 H new ATOM 0 HE1 HIS A 81 18.129 14.131 -6.372 1.00 0.00 H new ATOM 0 HE2 HIS A 81 17.830 16.539 -7.290 1.00 0.00 H new ATOM 1180 N LYS A 82 13.258 15.151 -5.671 1.00 0.00 N ATOM 1181 CA LYS A 82 13.005 14.892 -4.264 1.00 0.00 C ATOM 1182 C LYS A 82 13.707 15.957 -3.420 1.00 0.00 C ATOM 1183 O LYS A 82 14.779 15.711 -2.869 1.00 0.00 O ATOM 1184 CB LYS A 82 13.405 13.460 -3.903 1.00 0.00 C ATOM 1185 CG LYS A 82 14.897 13.228 -4.149 1.00 0.00 C ATOM 1186 CD LYS A 82 15.181 11.756 -4.455 1.00 0.00 C ATOM 1187 CE LYS A 82 16.394 11.256 -3.668 1.00 0.00 C ATOM 1188 NZ LYS A 82 17.539 11.020 -4.575 1.00 0.00 N ATOM 0 H LYS A 82 14.086 15.716 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 82 11.939 14.965 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.171 13.266 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.821 12.755 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.232 13.847 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.466 13.537 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.307 11.154 -4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.359 11.631 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.669 11.988 -2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.141 10.334 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.354 10.681 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.279 10.305 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.791 11.908 -5.055 1.00 0.00 H new ATOM 1202 N SER A 83 13.073 17.118 -3.344 1.00 0.00 N ATOM 1203 CA SER A 83 13.623 18.222 -2.576 1.00 0.00 C ATOM 1204 C SER A 83 13.552 17.906 -1.081 1.00 0.00 C ATOM 1205 O SER A 83 12.707 17.125 -0.647 1.00 0.00 O ATOM 1206 CB SER A 83 12.883 19.527 -2.879 1.00 0.00 C ATOM 1207 OG SER A 83 12.420 20.166 -1.692 1.00 0.00 O ATOM 0 H SER A 83 12.184 17.318 -3.802 1.00 0.00 H new ATOM 0 HA SER A 83 14.666 18.353 -2.864 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.546 20.203 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.036 19.320 -3.533 1.00 0.00 H new ATOM 0 HG SER A 83 12.836 21.050 -1.613 1.00 0.00 H new ATOM 1213 N ASP A 84 14.451 18.530 -0.333 1.00 0.00 N ATOM 1214 CA ASP A 84 14.501 18.325 1.104 1.00 0.00 C ATOM 1215 C ASP A 84 13.145 18.686 1.714 1.00 0.00 C ATOM 1216 O ASP A 84 12.458 17.826 2.263 1.00 0.00 O ATOM 1217 CB ASP A 84 15.562 19.217 1.751 1.00 0.00 C ATOM 1218 CG ASP A 84 15.521 19.266 3.280 1.00 0.00 C ATOM 1219 OD1 ASP A 84 14.636 18.590 3.846 1.00 0.00 O ATOM 1220 OD2 ASP A 84 16.377 19.979 3.848 1.00 0.00 O ATOM 0 H ASP A 84 15.150 19.178 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 84 14.748 17.279 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.547 18.869 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.446 20.230 1.367 1.00 0.00 H new ATOM 1225 N THR A 85 12.800 19.960 1.597 1.00 0.00 N ATOM 1226 CA THR A 85 11.538 20.445 2.130 1.00 0.00 C ATOM 1227 C THR A 85 10.390 19.531 1.698 1.00 0.00 C ATOM 1228 O THR A 85 9.407 19.378 2.422 1.00 0.00 O ATOM 1229 CB THR A 85 11.361 21.897 1.679 1.00 0.00 C ATOM 1230 OG1 THR A 85 10.489 22.460 2.655 1.00 0.00 O ATOM 1231 CG2 THR A 85 10.578 22.012 0.369 1.00 0.00 C ATOM 0 H THR A 85 13.372 20.671 1.141 1.00 0.00 H new ATOM 0 HA THR A 85 11.535 20.425 3.220 1.00 0.00 H new ATOM 0 HB THR A 85 12.340 22.361 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.322 23.401 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.481 23.062 0.094 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.108 21.478 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.587 21.578 0.498 1.00 0.00 H new ATOM 1239 N CYS A 86 10.552 18.946 0.520 1.00 0.00 N ATOM 1240 CA CYS A 86 9.541 18.051 -0.016 1.00 0.00 C ATOM 1241 C CYS A 86 9.578 16.749 0.787 1.00 0.00 C ATOM 1242 O CYS A 86 8.601 16.394 1.445 1.00 0.00 O ATOM 1243 CB CYS A 86 9.741 17.804 -1.513 1.00 0.00 C ATOM 1244 SG CYS A 86 8.472 16.740 -2.292 1.00 0.00 S ATOM 0 H CYS A 86 11.368 19.075 -0.078 1.00 0.00 H new ATOM 0 HA CYS A 86 8.557 18.509 0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.754 18.765 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 86 10.720 17.348 -1.664 1.00 0.00 H new ATOM 1249 N ARG A 87 10.714 16.073 0.706 1.00 0.00 N ATOM 1250 CA ARG A 87 10.891 14.818 1.417 1.00 0.00 C ATOM 1251 C ARG A 87 10.371 14.942 2.850 1.00 0.00 C ATOM 1252 O ARG A 87 9.755 14.015 3.374 1.00 0.00 O ATOM 1253 CB ARG A 87 12.364 14.406 1.450 1.00 0.00 C ATOM 1254 CG ARG A 87 12.865 14.049 0.049 1.00 0.00 C ATOM 1255 CD ARG A 87 14.099 13.147 0.122 1.00 0.00 C ATOM 1256 NE ARG A 87 13.770 11.896 0.841 1.00 0.00 N ATOM 1257 CZ ARG A 87 14.639 10.897 1.046 1.00 0.00 C ATOM 1258 NH1 ARG A 87 15.894 10.995 0.588 1.00 0.00 N ATOM 1259 NH2 ARG A 87 14.252 9.798 1.710 1.00 0.00 N ATOM 0 H ARG A 87 11.522 16.371 0.159 1.00 0.00 H new ATOM 0 HA ARG A 87 10.324 14.054 0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.964 15.219 1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.492 13.551 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.074 13.545 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.108 14.960 -0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.451 12.916 -0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.910 13.667 0.632 1.00 0.00 H new ATOM 0 HE ARG A 87 12.823 11.788 1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.189 11.831 0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.555 10.234 0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.296 9.723 2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.913 9.037 1.866 1.00 0.00 H new ATOM 1273 N ALA A 88 10.638 16.096 3.445 1.00 0.00 N ATOM 1274 CA ALA A 88 10.204 16.353 4.807 1.00 0.00 C ATOM 1275 C ALA A 88 8.686 16.547 4.827 1.00 0.00 C ATOM 1276 O ALA A 88 7.981 15.874 5.578 1.00 0.00 O ATOM 1277 CB ALA A 88 10.953 17.567 5.361 1.00 0.00 C ATOM 0 H ALA A 88 11.149 16.863 3.008 1.00 0.00 H new ATOM 0 HA ALA A 88 10.437 15.504 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.627 17.760 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 88 12.025 17.368 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.741 18.439 4.742 1.00 0.00 H new ATOM 1283 N CYS A 89 8.228 17.468 3.993 1.00 0.00 N ATOM 1284 CA CYS A 89 6.807 17.758 3.906 1.00 0.00 C ATOM 1285 C CYS A 89 6.046 16.431 3.885 1.00 0.00 C ATOM 1286 O CYS A 89 5.005 16.298 4.526 1.00 0.00 O ATOM 1287 CB CYS A 89 6.480 18.623 2.686 1.00 0.00 C ATOM 1288 SG CYS A 89 4.747 19.202 2.599 1.00 0.00 S ATOM 0 H CYS A 89 8.816 18.023 3.371 1.00 0.00 H new ATOM 0 HA CYS A 89 6.498 18.339 4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 89 7.139 19.491 2.687 1.00 0.00 H new ATOM 0 HB3 CYS A 89 6.704 18.054 1.784 1.00 0.00 H new ATOM 1293 N MET A 90 6.596 15.482 3.141 1.00 0.00 N ATOM 1294 CA MET A 90 5.982 14.170 3.028 1.00 0.00 C ATOM 1295 C MET A 90 6.125 13.384 4.333 1.00 0.00 C ATOM 1296 O MET A 90 5.128 13.015 4.952 1.00 0.00 O ATOM 1297 CB MET A 90 6.644 13.393 1.889 1.00 0.00 C ATOM 1298 CG MET A 90 6.223 13.951 0.528 1.00 0.00 C ATOM 1299 SD MET A 90 6.407 12.697 -0.729 1.00 0.00 S ATOM 1300 CE MET A 90 5.107 11.575 -0.241 1.00 0.00 C ATOM 0 H MET A 90 7.460 15.596 2.611 1.00 0.00 H new ATOM 0 HA MET A 90 4.920 14.303 2.820 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.728 13.447 1.989 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.370 12.340 1.955 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.187 14.288 0.568 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.831 14.820 0.278 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.755 11.024 -1.113 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.491 10.874 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.280 12.141 0.189 1.00 0.00 H new ATOM 1310 N LYS A 91 7.373 13.151 4.713 1.00 0.00 N ATOM 1311 CA LYS A 91 7.659 12.415 5.933 1.00 0.00 C ATOM 1312 C LYS A 91 6.874 13.033 7.092 1.00 0.00 C ATOM 1313 O LYS A 91 6.576 12.356 8.075 1.00 0.00 O ATOM 1314 CB LYS A 91 9.168 12.351 6.178 1.00 0.00 C ATOM 1315 CG LYS A 91 9.498 11.377 7.311 1.00 0.00 C ATOM 1316 CD LYS A 91 10.871 10.736 7.101 1.00 0.00 C ATOM 1317 CE LYS A 91 10.750 9.425 6.321 1.00 0.00 C ATOM 1318 NZ LYS A 91 12.058 8.734 6.264 1.00 0.00 N ATOM 0 H LYS A 91 8.198 13.459 4.197 1.00 0.00 H new ATOM 0 HA LYS A 91 7.330 11.380 5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.675 12.038 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.542 13.344 6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.481 11.904 8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.734 10.601 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.520 11.426 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.340 10.547 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.011 8.779 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.394 9.627 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.959 7.846 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.753 9.346 5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.382 8.524 7.230 1.00 0.00 H new ATOM 1332 N THR A 92 6.560 14.311 6.938 1.00 0.00 N ATOM 1333 CA THR A 92 5.815 15.027 7.959 1.00 0.00 C ATOM 1334 C THR A 92 4.395 14.469 8.072 1.00 0.00 C ATOM 1335 O THR A 92 3.985 14.018 9.141 1.00 0.00 O ATOM 1336 CB THR A 92 5.857 16.518 7.617 1.00 0.00 C ATOM 1337 OG1 THR A 92 7.244 16.844 7.657 1.00 0.00 O ATOM 1338 CG2 THR A 92 5.238 17.388 8.713 1.00 0.00 C ATOM 0 H THR A 92 6.808 14.869 6.121 1.00 0.00 H new ATOM 0 HA THR A 92 6.263 14.892 8.944 1.00 0.00 H new ATOM 0 HB THR A 92 5.332 16.690 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.715 16.356 6.950 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.294 18.436 8.420 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.195 17.106 8.856 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.784 17.242 9.645 1.00 0.00 H new ATOM 1346 N ASN A 93 3.683 14.519 6.956 1.00 0.00 N ATOM 1347 CA ASN A 93 2.318 14.024 6.916 1.00 0.00 C ATOM 1348 C ASN A 93 2.192 12.973 5.812 1.00 0.00 C ATOM 1349 O ASN A 93 1.932 11.803 6.090 1.00 0.00 O ATOM 1350 CB ASN A 93 1.332 15.153 6.608 1.00 0.00 C ATOM 1351 CG ASN A 93 1.615 16.381 7.476 1.00 0.00 C ATOM 1352 OD1 ASN A 93 1.040 16.571 8.535 1.00 0.00 O ATOM 1353 ND2 ASN A 93 2.533 17.200 6.970 1.00 0.00 N ATOM 0 H ASN A 93 4.026 14.895 6.072 1.00 0.00 H new ATOM 0 HA ASN A 93 2.086 13.597 7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.402 15.424 5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.313 14.808 6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.794 18.047 7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.976 16.981 6.078 1.00 0.00 H new ATOM 1360 N CYS A 94 2.384 13.427 4.582 1.00 0.00 N ATOM 1361 CA CYS A 94 2.295 12.540 3.435 1.00 0.00 C ATOM 1362 C CYS A 94 3.476 11.567 3.487 1.00 0.00 C ATOM 1363 O CYS A 94 4.406 11.671 2.689 1.00 0.00 O ATOM 1364 CB CYS A 94 2.256 13.319 2.119 1.00 0.00 C ATOM 1365 SG CYS A 94 0.696 14.225 1.810 1.00 0.00 S ATOM 0 H CYS A 94 2.601 14.397 4.355 1.00 0.00 H new ATOM 0 HA CYS A 94 1.361 11.980 3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.081 14.031 2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.425 12.624 1.296 1.00 0.00 H new ATOM 1370 N LYS A 95 3.400 10.645 4.435 1.00 0.00 N ATOM 1371 CA LYS A 95 4.450 9.655 4.602 1.00 0.00 C ATOM 1372 C LYS A 95 4.922 9.181 3.225 1.00 0.00 C ATOM 1373 O LYS A 95 6.006 9.549 2.776 1.00 0.00 O ATOM 1374 CB LYS A 95 3.978 8.521 5.514 1.00 0.00 C ATOM 1375 CG LYS A 95 5.167 7.795 6.147 1.00 0.00 C ATOM 1376 CD LYS A 95 5.378 6.423 5.504 1.00 0.00 C ATOM 1377 CE LYS A 95 6.196 5.509 6.418 1.00 0.00 C ATOM 1378 NZ LYS A 95 5.796 4.097 6.231 1.00 0.00 N ATOM 0 H LYS A 95 2.627 10.563 5.096 1.00 0.00 H new ATOM 0 HA LYS A 95 5.313 10.096 5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.334 8.923 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.379 7.814 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.068 8.397 6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.997 7.677 7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.412 5.963 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.890 6.540 4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.258 5.624 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.050 5.800 7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.361 3.490 6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.787 3.989 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.958 3.818 5.242 1.00 0.00 H new