USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 ASN : amide:sc= -3.49 K(o=-7,f=-8.9!) USER MOD Set 1.2: A 93 ASN : amide:sc= -3.47 K(o=-7,f=-14!) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.288 X(o=-1.5,f=-1.8) USER MOD Set 2.2: A 90 MET CE :methyl 174:sc= -1.18 (180deg=-1.36) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0694 K(o=-0.069,f=-0.6) USER MOD Single : A 14 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 116:sc= 1.18 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 -49:sc= 0.6 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -147:sc= 0.101 (180deg=-0.162) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00974 USER MOD Single : A 43 ASN : amide:sc=-0.00396 X(o=-0.004,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -135:sc= 0.077 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0876) USER MOD Single : A 52 GLN : amide:sc= -1.3 K(o=-1.3,f=-7.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= -0.195 (180deg=-0.313) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.04 K(o=-2,f=-0.92) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 120:sc= 0.325 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -5.379 12.494 4.265 1.00 0.00 N ATOM 91 CA VAL A 7 -5.592 11.241 3.560 1.00 0.00 C ATOM 92 C VAL A 7 -5.187 10.077 4.466 1.00 0.00 C ATOM 93 O VAL A 7 -4.270 10.205 5.276 1.00 0.00 O ATOM 94 CB VAL A 7 -4.836 11.254 2.230 1.00 0.00 C ATOM 95 CG1 VAL A 7 -5.288 10.100 1.332 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.000 12.599 1.519 1.00 0.00 C ATOM 0 HA VAL A 7 -6.647 11.113 3.318 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.776 11.116 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.736 10.132 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.096 9.152 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.355 10.194 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.453 12.581 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.057 12.780 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.607 13.395 2.152 1.00 0.00 H new ATOM 106 N ASP A 8 -5.891 8.967 4.299 1.00 0.00 N ATOM 107 CA ASP A 8 -5.617 7.780 5.092 1.00 0.00 C ATOM 108 C ASP A 8 -4.890 6.750 4.225 1.00 0.00 C ATOM 109 O ASP A 8 -4.002 6.047 4.705 1.00 0.00 O ATOM 110 CB ASP A 8 -6.913 7.143 5.596 1.00 0.00 C ATOM 111 CG ASP A 8 -6.912 6.761 7.078 1.00 0.00 C ATOM 112 OD1 ASP A 8 -6.061 7.314 7.806 1.00 0.00 O ATOM 113 OD2 ASP A 8 -7.763 5.923 7.448 1.00 0.00 O ATOM 0 H ASP A 8 -6.651 8.864 3.626 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.006 8.077 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.735 7.836 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.114 6.249 5.006 1.00 0.00 H new ATOM 118 N CYS A 9 -5.294 6.694 2.965 1.00 0.00 N ATOM 119 CA CYS A 9 -4.691 5.762 2.027 1.00 0.00 C ATOM 120 C CYS A 9 -5.132 4.346 2.407 1.00 0.00 C ATOM 121 O CYS A 9 -5.788 3.665 1.621 1.00 0.00 O ATOM 122 CB CYS A 9 -3.167 5.896 1.996 1.00 0.00 C ATOM 123 SG CYS A 9 -2.553 7.565 1.565 1.00 0.00 S ATOM 0 H CYS A 9 -6.031 7.279 2.571 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.030 5.989 1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.772 5.620 2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.768 5.180 1.277 1.00 0.00 H new ATOM 128 N LYS A 10 -4.753 3.947 3.612 1.00 0.00 N ATOM 129 CA LYS A 10 -5.101 2.625 4.106 1.00 0.00 C ATOM 130 C LYS A 10 -6.526 2.281 3.669 1.00 0.00 C ATOM 131 O LYS A 10 -6.722 1.511 2.730 1.00 0.00 O ATOM 132 CB LYS A 10 -4.885 2.544 5.618 1.00 0.00 C ATOM 133 CG LYS A 10 -3.866 1.457 5.969 1.00 0.00 C ATOM 134 CD LYS A 10 -3.138 1.789 7.273 1.00 0.00 C ATOM 135 CE LYS A 10 -2.131 0.695 7.633 1.00 0.00 C ATOM 136 NZ LYS A 10 -2.384 0.185 8.999 1.00 0.00 N ATOM 0 H LYS A 10 -4.209 4.515 4.261 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.444 1.871 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.538 3.507 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.833 2.333 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.372 0.496 6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.143 1.357 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.622 2.744 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.862 1.901 8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.201 -0.122 6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.117 1.090 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.691 -0.557 9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.294 0.964 9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.344 -0.211 9.049 1.00 0.00 H new ATOM 150 N GLY A 11 -7.484 2.868 4.371 1.00 0.00 N ATOM 151 CA GLY A 11 -8.885 2.633 4.067 1.00 0.00 C ATOM 152 C GLY A 11 -9.146 2.742 2.564 1.00 0.00 C ATOM 153 O GLY A 11 -9.697 1.825 1.957 1.00 0.00 O ATOM 0 H GLY A 11 -7.317 3.506 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.176 1.643 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.503 3.356 4.600 1.00 0.00 H new ATOM 157 N GLN A 12 -8.739 3.873 2.006 1.00 0.00 N ATOM 158 CA GLN A 12 -8.922 4.114 0.585 1.00 0.00 C ATOM 159 C GLN A 12 -8.341 2.957 -0.230 1.00 0.00 C ATOM 160 O GLN A 12 -8.721 2.751 -1.381 1.00 0.00 O ATOM 161 CB GLN A 12 -8.295 5.446 0.169 1.00 0.00 C ATOM 162 CG GLN A 12 -9.241 6.613 0.460 1.00 0.00 C ATOM 163 CD GLN A 12 -9.915 7.105 -0.822 1.00 0.00 C ATOM 164 OE1 GLN A 12 -10.107 6.368 -1.775 1.00 0.00 O ATOM 165 NE2 GLN A 12 -10.261 8.389 -0.792 1.00 0.00 N ATOM 0 H GLN A 12 -8.283 4.632 2.512 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.991 4.174 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.356 5.593 0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.056 5.423 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.000 6.300 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.685 7.430 0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.071 8.949 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.717 8.813 -1.600 1.00 0.00 H new ATOM 174 N CYS A 13 -7.429 2.231 0.401 1.00 0.00 N ATOM 175 CA CYS A 13 -6.792 1.100 -0.251 1.00 0.00 C ATOM 176 C CYS A 13 -7.507 -0.177 0.195 1.00 0.00 C ATOM 177 O CYS A 13 -6.893 -1.062 0.790 1.00 0.00 O ATOM 178 CB CYS A 13 -5.292 1.047 0.046 1.00 0.00 C ATOM 179 SG CYS A 13 -4.305 2.366 -0.751 1.00 0.00 S ATOM 0 H CYS A 13 -7.117 2.404 1.356 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.878 1.205 -1.333 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.147 1.106 1.125 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.906 0.079 -0.275 1.00 0.00 H new ATOM 184 N THR A 14 -8.795 -0.233 -0.109 1.00 0.00 N ATOM 185 CA THR A 14 -9.600 -1.387 0.254 1.00 0.00 C ATOM 186 C THR A 14 -9.953 -2.203 -0.991 1.00 0.00 C ATOM 187 O THR A 14 -9.884 -3.431 -0.973 1.00 0.00 O ATOM 188 CB THR A 14 -10.827 -0.886 1.019 1.00 0.00 C ATOM 189 OG1 THR A 14 -10.328 -0.595 2.322 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.862 -1.988 1.253 1.00 0.00 C ATOM 0 H THR A 14 -9.301 0.502 -0.603 1.00 0.00 H new ATOM 0 HA THR A 14 -9.048 -2.066 0.904 1.00 0.00 H new ATOM 0 HB THR A 14 -11.289 -0.067 0.468 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.013 0.333 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.712 -1.579 1.800 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.201 -2.378 0.293 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.411 -2.793 1.833 1.00 0.00 H new ATOM 198 N THR A 15 -10.323 -1.488 -2.044 1.00 0.00 N ATOM 199 CA THR A 15 -10.687 -2.131 -3.295 1.00 0.00 C ATOM 200 C THR A 15 -9.460 -2.783 -3.936 1.00 0.00 C ATOM 201 O THR A 15 -9.516 -3.935 -4.364 1.00 0.00 O ATOM 202 CB THR A 15 -11.354 -1.084 -4.188 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.747 -1.358 -4.064 1.00 0.00 O ATOM 204 CG2 THR A 15 -11.062 -1.308 -5.673 1.00 0.00 C ATOM 0 H THR A 15 -10.378 -0.470 -2.056 1.00 0.00 H new ATOM 0 HA THR A 15 -11.398 -2.940 -3.131 1.00 0.00 H new ATOM 0 HB THR A 15 -11.014 -0.090 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.255 -0.723 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.559 -0.537 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.987 -1.258 -5.844 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.432 -2.289 -5.973 1.00 0.00 H new ATOM 212 N PRO A 16 -8.350 -1.998 -3.982 1.00 0.00 N ATOM 213 CA PRO A 16 -7.111 -2.486 -4.563 1.00 0.00 C ATOM 214 C PRO A 16 -6.416 -3.472 -3.623 1.00 0.00 C ATOM 215 O PRO A 16 -5.453 -4.132 -4.011 1.00 0.00 O ATOM 216 CB PRO A 16 -6.285 -1.239 -4.834 1.00 0.00 C ATOM 217 CG PRO A 16 -6.891 -0.143 -3.973 1.00 0.00 C ATOM 218 CD PRO A 16 -8.246 -0.629 -3.485 1.00 0.00 C ATOM 0 HA PRO A 16 -7.271 -3.049 -5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.238 -1.401 -4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.319 -0.970 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.240 0.083 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.000 0.777 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.310 -0.597 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.053 -0.005 -3.870 1.00 0.00 H new ATOM 226 N CYS A 17 -6.931 -3.542 -2.404 1.00 0.00 N ATOM 227 CA CYS A 17 -6.372 -4.436 -1.405 1.00 0.00 C ATOM 228 C CYS A 17 -7.492 -5.343 -0.891 1.00 0.00 C ATOM 229 O CYS A 17 -7.381 -5.921 0.189 1.00 0.00 O ATOM 230 CB CYS A 17 -5.695 -3.664 -0.270 1.00 0.00 C ATOM 231 SG CYS A 17 -4.463 -2.425 -0.812 1.00 0.00 S ATOM 0 H CYS A 17 -7.730 -2.994 -2.086 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.590 -5.047 -1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.463 -3.159 0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.205 -4.377 0.393 1.00 0.00 H new ATOM 236 N GLU A 18 -8.545 -5.439 -1.688 1.00 0.00 N ATOM 237 CA GLU A 18 -9.684 -6.265 -1.327 1.00 0.00 C ATOM 238 C GLU A 18 -9.307 -7.746 -1.392 1.00 0.00 C ATOM 239 O GLU A 18 -9.445 -8.469 -0.406 1.00 0.00 O ATOM 240 CB GLU A 18 -10.886 -5.965 -2.226 1.00 0.00 C ATOM 241 CG GLU A 18 -12.030 -5.343 -1.422 1.00 0.00 C ATOM 242 CD GLU A 18 -13.388 -5.740 -2.005 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.732 -5.186 -3.072 1.00 0.00 O ATOM 244 OE2 GLU A 18 -14.052 -6.587 -1.369 1.00 0.00 O ATOM 0 H GLU A 18 -8.634 -4.958 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.970 -6.028 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.587 -5.286 -3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.228 -6.885 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.967 -5.667 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.933 -4.257 -1.424 1.00 0.00 H new ATOM 251 N PRO A 19 -8.827 -8.165 -2.593 1.00 0.00 N ATOM 252 CA PRO A 19 -8.429 -9.547 -2.800 1.00 0.00 C ATOM 253 C PRO A 19 -7.088 -9.839 -2.123 1.00 0.00 C ATOM 254 O PRO A 19 -6.841 -10.961 -1.685 1.00 0.00 O ATOM 255 CB PRO A 19 -8.383 -9.722 -4.309 1.00 0.00 C ATOM 256 CG PRO A 19 -8.302 -8.320 -4.889 1.00 0.00 C ATOM 257 CD PRO A 19 -8.650 -7.337 -3.783 1.00 0.00 C ATOM 0 HA PRO A 19 -9.125 -10.256 -2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.521 -10.318 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.270 -10.243 -4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.301 -8.123 -5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.992 -8.213 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.856 -6.604 -3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.558 -6.782 -4.018 1.00 0.00 H new ATOM 265 N LEU A 20 -6.258 -8.808 -2.058 1.00 0.00 N ATOM 266 CA LEU A 20 -4.949 -8.940 -1.441 1.00 0.00 C ATOM 267 C LEU A 20 -5.119 -9.193 0.058 1.00 0.00 C ATOM 268 O LEU A 20 -4.616 -10.185 0.584 1.00 0.00 O ATOM 269 CB LEU A 20 -4.080 -7.722 -1.764 1.00 0.00 C ATOM 270 CG LEU A 20 -2.977 -7.399 -0.755 1.00 0.00 C ATOM 271 CD1 LEU A 20 -3.555 -6.735 0.496 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.160 -8.648 -0.416 1.00 0.00 C ATOM 0 H LEU A 20 -6.466 -7.878 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.419 -9.800 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.619 -7.878 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.729 -6.851 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.295 -6.683 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.749 -6.516 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.056 -5.808 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.272 -7.407 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.383 -8.390 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.815 -9.406 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.699 -9.039 -1.323 1.00 0.00 H new ATOM 284 N THR A 21 -5.829 -8.280 0.703 1.00 0.00 N ATOM 285 CA THR A 21 -6.071 -8.392 2.132 1.00 0.00 C ATOM 286 C THR A 21 -6.671 -9.760 2.465 1.00 0.00 C ATOM 287 O THR A 21 -6.163 -10.470 3.332 1.00 0.00 O ATOM 288 CB THR A 21 -6.960 -7.220 2.554 1.00 0.00 C ATOM 289 OG1 THR A 21 -6.145 -6.072 2.338 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.233 -7.206 4.059 1.00 0.00 C ATOM 0 H THR A 21 -6.245 -7.459 0.263 1.00 0.00 H new ATOM 0 HA THR A 21 -5.141 -8.333 2.697 1.00 0.00 H new ATOM 0 HB THR A 21 -7.906 -7.268 2.014 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.550 -5.509 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.868 -6.355 4.306 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.736 -8.129 4.346 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.290 -7.124 4.599 1.00 0.00 H new ATOM 298 N ALA A 22 -7.743 -10.089 1.758 1.00 0.00 N ATOM 299 CA ALA A 22 -8.416 -11.359 1.968 1.00 0.00 C ATOM 300 C ALA A 22 -7.385 -12.489 1.945 1.00 0.00 C ATOM 301 O ALA A 22 -7.388 -13.355 2.818 1.00 0.00 O ATOM 302 CB ALA A 22 -9.505 -11.541 0.908 1.00 0.00 C ATOM 0 H ALA A 22 -8.161 -9.498 1.040 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.903 -11.378 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.010 -12.494 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.228 -10.729 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.053 -11.529 -0.084 1.00 0.00 H new ATOM 308 N CYS A 23 -6.528 -12.443 0.935 1.00 0.00 N ATOM 309 CA CYS A 23 -5.493 -13.452 0.787 1.00 0.00 C ATOM 310 C CYS A 23 -4.722 -13.548 2.105 1.00 0.00 C ATOM 311 O CYS A 23 -4.608 -14.626 2.685 1.00 0.00 O ATOM 312 CB CYS A 23 -4.569 -13.145 -0.394 1.00 0.00 C ATOM 313 SG CYS A 23 -3.823 -14.616 -1.187 1.00 0.00 S ATOM 0 H CYS A 23 -6.529 -11.723 0.212 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.951 -14.416 0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.134 -12.592 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.769 -12.490 -0.050 1.00 0.00 H new ATOM 318 N LYS A 24 -4.212 -12.405 2.539 1.00 0.00 N ATOM 319 CA LYS A 24 -3.455 -12.346 3.778 1.00 0.00 C ATOM 320 C LYS A 24 -4.343 -12.806 4.936 1.00 0.00 C ATOM 321 O LYS A 24 -3.968 -13.700 5.693 1.00 0.00 O ATOM 322 CB LYS A 24 -2.860 -10.950 3.977 1.00 0.00 C ATOM 323 CG LYS A 24 -1.352 -10.955 3.720 1.00 0.00 C ATOM 324 CD LYS A 24 -0.855 -9.557 3.345 1.00 0.00 C ATOM 325 CE LYS A 24 -0.376 -8.796 4.583 1.00 0.00 C ATOM 326 NZ LYS A 24 0.082 -7.438 4.211 1.00 0.00 N ATOM 0 H LYS A 24 -4.308 -11.512 2.055 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.605 -13.027 3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.345 -10.245 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.058 -10.608 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.829 -11.304 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.118 -11.655 2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.040 -9.637 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.656 -9.000 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.185 -8.727 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.437 -9.342 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.404 -6.935 5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.868 -7.510 3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.704 -6.914 3.775 1.00 0.00 H new ATOM 340 N GLU A 25 -5.504 -12.175 5.036 1.00 0.00 N ATOM 341 CA GLU A 25 -6.448 -12.509 6.089 1.00 0.00 C ATOM 342 C GLU A 25 -6.704 -14.018 6.114 1.00 0.00 C ATOM 343 O GLU A 25 -6.354 -14.694 7.079 1.00 0.00 O ATOM 344 CB GLU A 25 -7.756 -11.734 5.918 1.00 0.00 C ATOM 345 CG GLU A 25 -8.035 -10.854 7.139 1.00 0.00 C ATOM 346 CD GLU A 25 -8.992 -11.550 8.109 1.00 0.00 C ATOM 347 OE1 GLU A 25 -8.486 -12.337 8.938 1.00 0.00 O ATOM 348 OE2 GLU A 25 -10.207 -11.279 8.000 1.00 0.00 O ATOM 0 H GLU A 25 -5.812 -11.435 4.406 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.014 -12.218 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.701 -11.114 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.580 -12.432 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.099 -10.625 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.464 -9.905 6.817 1.00 0.00 H new ATOM 355 N LYS A 26 -7.312 -14.500 5.040 1.00 0.00 N ATOM 356 CA LYS A 26 -7.619 -15.916 4.926 1.00 0.00 C ATOM 357 C LYS A 26 -6.455 -16.732 5.491 1.00 0.00 C ATOM 358 O LYS A 26 -6.665 -17.680 6.246 1.00 0.00 O ATOM 359 CB LYS A 26 -7.977 -16.272 3.482 1.00 0.00 C ATOM 360 CG LYS A 26 -9.072 -17.340 3.436 1.00 0.00 C ATOM 361 CD LYS A 26 -8.535 -18.652 2.861 1.00 0.00 C ATOM 362 CE LYS A 26 -9.675 -19.532 2.347 1.00 0.00 C ATOM 363 NZ LYS A 26 -9.145 -20.805 1.808 1.00 0.00 N ATOM 0 H LYS A 26 -7.600 -13.935 4.241 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.500 -16.164 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.313 -15.378 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.090 -16.633 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.460 -17.511 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.905 -16.986 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.840 -18.440 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.975 -19.187 3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.377 -19.737 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.228 -19.004 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.932 -21.391 1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.493 -20.605 1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.637 -21.315 2.559 1.00 0.00 H new ATOM 377 N CYS A 27 -5.252 -16.335 5.102 1.00 0.00 N ATOM 378 CA CYS A 27 -4.054 -17.018 5.560 1.00 0.00 C ATOM 379 C CYS A 27 -3.901 -16.765 7.061 1.00 0.00 C ATOM 380 O CYS A 27 -3.693 -17.700 7.833 1.00 0.00 O ATOM 381 CB CYS A 27 -2.817 -16.576 4.777 1.00 0.00 C ATOM 382 SG CYS A 27 -2.687 -17.271 3.089 1.00 0.00 S ATOM 0 H CYS A 27 -5.081 -15.549 4.475 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.152 -18.089 5.382 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.818 -15.488 4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.928 -16.859 5.340 1.00 0.00 H new ATOM 387 N ALA A 28 -4.009 -15.497 7.429 1.00 0.00 N ATOM 388 CA ALA A 28 -3.885 -15.110 8.824 1.00 0.00 C ATOM 389 C ALA A 28 -4.835 -15.959 9.671 1.00 0.00 C ATOM 390 O ALA A 28 -4.481 -16.382 10.770 1.00 0.00 O ATOM 391 CB ALA A 28 -4.161 -13.611 8.964 1.00 0.00 C ATOM 0 H ALA A 28 -4.181 -14.724 6.786 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.872 -15.291 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.068 -13.320 10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.441 -13.051 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.170 -13.393 8.615 1.00 0.00 H new ATOM 397 N GLU A 29 -6.022 -16.183 9.127 1.00 0.00 N ATOM 398 CA GLU A 29 -7.025 -16.974 9.820 1.00 0.00 C ATOM 399 C GLU A 29 -6.578 -18.434 9.913 1.00 0.00 C ATOM 400 O GLU A 29 -6.492 -18.992 11.006 1.00 0.00 O ATOM 401 CB GLU A 29 -8.385 -16.860 9.129 1.00 0.00 C ATOM 402 CG GLU A 29 -9.120 -15.593 9.571 1.00 0.00 C ATOM 403 CD GLU A 29 -9.671 -15.745 10.990 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.556 -16.611 11.166 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.195 -14.993 11.867 1.00 0.00 O ATOM 0 H GLU A 29 -6.312 -15.831 8.215 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.134 -16.583 10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.248 -16.847 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.990 -17.736 9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.441 -14.741 9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.937 -15.383 8.881 1.00 0.00 H new ATOM 412 N SER A 30 -6.304 -19.011 8.752 1.00 0.00 N ATOM 413 CA SER A 30 -5.868 -20.396 8.689 1.00 0.00 C ATOM 414 C SER A 30 -4.626 -20.593 9.561 1.00 0.00 C ATOM 415 O SER A 30 -4.340 -21.708 9.996 1.00 0.00 O ATOM 416 CB SER A 30 -5.576 -20.816 7.247 1.00 0.00 C ATOM 417 OG SER A 30 -6.254 -22.019 6.894 1.00 0.00 O ATOM 0 H SER A 30 -6.375 -18.545 7.848 1.00 0.00 H new ATOM 0 HA SER A 30 -6.673 -21.026 9.066 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.877 -20.018 6.569 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.502 -20.954 7.120 1.00 0.00 H new ATOM 0 HG SER A 30 -6.043 -22.253 5.966 1.00 0.00 H new ATOM 423 N CYS A 31 -3.923 -19.494 9.791 1.00 0.00 N ATOM 424 CA CYS A 31 -2.719 -19.533 10.603 1.00 0.00 C ATOM 425 C CYS A 31 -2.900 -18.568 11.777 1.00 0.00 C ATOM 426 O CYS A 31 -2.202 -17.559 11.869 1.00 0.00 O ATOM 427 CB CYS A 31 -1.471 -19.204 9.781 1.00 0.00 C ATOM 428 SG CYS A 31 -0.658 -20.650 9.008 1.00 0.00 S ATOM 0 H CYS A 31 -4.164 -18.571 9.429 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.567 -20.543 10.984 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.745 -18.497 8.998 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.750 -18.701 10.426 1.00 0.00 H new ATOM 433 N GLU A 32 -3.840 -18.912 12.644 1.00 0.00 N ATOM 434 CA GLU A 32 -4.122 -18.088 13.808 1.00 0.00 C ATOM 435 C GLU A 32 -3.216 -18.490 14.974 1.00 0.00 C ATOM 436 O GLU A 32 -2.588 -17.637 15.599 1.00 0.00 O ATOM 437 CB GLU A 32 -5.597 -18.182 14.202 1.00 0.00 C ATOM 438 CG GLU A 32 -6.328 -16.870 13.908 1.00 0.00 C ATOM 439 CD GLU A 32 -7.484 -16.655 14.887 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.467 -17.420 14.782 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.358 -15.730 15.718 1.00 0.00 O ATOM 0 H GLU A 32 -4.416 -19.750 12.565 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.914 -17.049 13.553 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.072 -18.997 13.656 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.679 -18.419 15.263 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.629 -16.037 13.977 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.709 -16.883 12.887 1.00 0.00 H new ATOM 448 N THR A 33 -3.178 -19.789 15.232 1.00 0.00 N ATOM 449 CA THR A 33 -2.360 -20.314 16.312 1.00 0.00 C ATOM 450 C THR A 33 -1.343 -21.320 15.770 1.00 0.00 C ATOM 451 O THR A 33 -1.188 -22.409 16.320 1.00 0.00 O ATOM 452 CB THR A 33 -3.295 -20.904 17.369 1.00 0.00 C ATOM 453 OG1 THR A 33 -2.422 -21.289 18.428 1.00 0.00 O ATOM 454 CG2 THR A 33 -3.934 -22.219 16.917 1.00 0.00 C ATOM 0 H THR A 33 -3.701 -20.494 14.712 1.00 0.00 H new ATOM 0 HA THR A 33 -1.771 -19.526 16.782 1.00 0.00 H new ATOM 0 HB THR A 33 -4.077 -20.183 17.605 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.673 -21.805 18.063 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.588 -22.595 17.704 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.516 -22.048 16.012 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.153 -22.952 16.713 1.00 0.00 H new ATOM 462 N SER A 34 -0.676 -20.920 14.697 1.00 0.00 N ATOM 463 CA SER A 34 0.322 -21.773 14.075 1.00 0.00 C ATOM 464 C SER A 34 1.706 -21.465 14.650 1.00 0.00 C ATOM 465 O SER A 34 1.983 -20.331 15.037 1.00 0.00 O ATOM 466 CB SER A 34 0.328 -21.595 12.555 1.00 0.00 C ATOM 467 OG SER A 34 0.388 -22.844 11.872 1.00 0.00 O ATOM 0 H SER A 34 -0.807 -20.016 14.243 1.00 0.00 H new ATOM 0 HA SER A 34 0.068 -22.811 14.292 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.570 -21.057 12.249 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.181 -20.982 12.265 1.00 0.00 H new ATOM 0 HG SER A 34 0.388 -22.688 10.904 1.00 0.00 H new ATOM 473 N ALA A 35 2.538 -22.496 14.688 1.00 0.00 N ATOM 474 CA ALA A 35 3.886 -22.350 15.210 1.00 0.00 C ATOM 475 C ALA A 35 4.532 -21.104 14.601 1.00 0.00 C ATOM 476 O ALA A 35 4.819 -20.140 15.310 1.00 0.00 O ATOM 477 CB ALA A 35 4.686 -23.622 14.921 1.00 0.00 C ATOM 0 H ALA A 35 2.304 -23.435 14.366 1.00 0.00 H new ATOM 0 HA ALA A 35 3.866 -22.216 16.292 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.697 -23.513 15.313 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.202 -24.473 15.400 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.730 -23.788 13.845 1.00 0.00 H new ATOM 483 N ASP A 36 4.742 -21.164 13.294 1.00 0.00 N ATOM 484 CA ASP A 36 5.348 -20.052 12.582 1.00 0.00 C ATOM 485 C ASP A 36 4.254 -19.241 11.885 1.00 0.00 C ATOM 486 O ASP A 36 4.064 -19.359 10.676 1.00 0.00 O ATOM 487 CB ASP A 36 6.322 -20.549 11.512 1.00 0.00 C ATOM 488 CG ASP A 36 7.152 -21.772 11.911 1.00 0.00 C ATOM 489 OD1 ASP A 36 7.421 -21.904 13.124 1.00 0.00 O ATOM 490 OD2 ASP A 36 7.498 -22.546 10.993 1.00 0.00 O ATOM 0 H ASP A 36 4.503 -21.965 12.710 1.00 0.00 H new ATOM 0 HA ASP A 36 5.888 -19.442 13.306 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.757 -20.790 10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.001 -19.736 11.254 1.00 0.00 H new ATOM 495 N LYS A 37 3.564 -18.434 12.678 1.00 0.00 N ATOM 496 CA LYS A 37 2.494 -17.603 12.153 1.00 0.00 C ATOM 497 C LYS A 37 3.079 -16.590 11.168 1.00 0.00 C ATOM 498 O LYS A 37 2.768 -16.624 9.978 1.00 0.00 O ATOM 499 CB LYS A 37 1.702 -16.965 13.295 1.00 0.00 C ATOM 500 CG LYS A 37 0.584 -16.071 12.754 1.00 0.00 C ATOM 501 CD LYS A 37 -0.060 -15.257 13.878 1.00 0.00 C ATOM 502 CE LYS A 37 -1.580 -15.436 13.883 1.00 0.00 C ATOM 503 NZ LYS A 37 -2.190 -14.719 12.741 1.00 0.00 N ATOM 0 H LYS A 37 3.725 -18.338 13.681 1.00 0.00 H new ATOM 0 HA LYS A 37 1.777 -18.209 11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.276 -17.744 13.927 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.372 -16.377 13.923 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.986 -15.398 11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.173 -16.685 12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.350 -15.569 14.839 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.185 -14.202 13.754 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.827 -16.496 13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.993 -15.060 14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.129 -14.365 13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.584 -13.919 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.287 -15.369 11.935 1.00 0.00 H new ATOM 517 N LYS A 38 3.916 -15.711 11.699 1.00 0.00 N ATOM 518 CA LYS A 38 4.547 -14.689 10.881 1.00 0.00 C ATOM 519 C LYS A 38 4.984 -15.305 9.550 1.00 0.00 C ATOM 520 O LYS A 38 4.576 -14.844 8.486 1.00 0.00 O ATOM 521 CB LYS A 38 5.686 -14.015 11.650 1.00 0.00 C ATOM 522 CG LYS A 38 5.754 -12.521 11.329 1.00 0.00 C ATOM 523 CD LYS A 38 4.804 -11.724 12.226 1.00 0.00 C ATOM 524 CE LYS A 38 4.586 -10.313 11.676 1.00 0.00 C ATOM 525 NZ LYS A 38 3.883 -9.472 12.670 1.00 0.00 N ATOM 0 H LYS A 38 4.172 -15.685 12.686 1.00 0.00 H new ATOM 0 HA LYS A 38 3.837 -13.896 10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.539 -14.154 12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.633 -14.489 11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.774 -12.162 11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.495 -12.358 10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.847 -12.241 12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.213 -11.666 13.235 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.546 -9.862 11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.005 -10.361 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.743 -8.518 12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.959 -9.895 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.452 -9.412 13.538 1.00 0.00 H new ATOM 539 N THR A 39 5.808 -16.337 9.655 1.00 0.00 N ATOM 540 CA THR A 39 6.304 -17.021 8.473 1.00 0.00 C ATOM 541 C THR A 39 5.141 -17.452 7.578 1.00 0.00 C ATOM 542 O THR A 39 5.086 -17.085 6.405 1.00 0.00 O ATOM 543 CB THR A 39 7.181 -18.187 8.934 1.00 0.00 C ATOM 544 OG1 THR A 39 8.148 -17.579 9.785 1.00 0.00 O ATOM 545 CG2 THR A 39 8.009 -18.783 7.794 1.00 0.00 C ATOM 0 H THR A 39 6.145 -16.716 10.540 1.00 0.00 H new ATOM 0 HA THR A 39 6.915 -16.358 7.860 1.00 0.00 H new ATOM 0 HB THR A 39 6.553 -18.963 9.370 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.757 -18.265 10.130 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.613 -19.606 8.175 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.342 -19.152 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.662 -18.016 7.379 1.00 0.00 H new ATOM 553 N CYS A 40 4.239 -18.225 8.165 1.00 0.00 N ATOM 554 CA CYS A 40 3.080 -18.710 7.436 1.00 0.00 C ATOM 555 C CYS A 40 2.422 -17.520 6.734 1.00 0.00 C ATOM 556 O CYS A 40 2.392 -17.459 5.506 1.00 0.00 O ATOM 557 CB CYS A 40 2.101 -19.444 8.354 1.00 0.00 C ATOM 558 SG CYS A 40 0.514 -19.909 7.569 1.00 0.00 S ATOM 0 H CYS A 40 4.288 -18.527 9.138 1.00 0.00 H new ATOM 0 HA CYS A 40 3.395 -19.441 6.691 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.583 -20.347 8.728 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.892 -18.813 9.218 1.00 0.00 H new ATOM 563 N ARG A 41 1.911 -16.605 7.544 1.00 0.00 N ATOM 564 CA ARG A 41 1.255 -15.420 7.016 1.00 0.00 C ATOM 565 C ARG A 41 2.101 -14.797 5.904 1.00 0.00 C ATOM 566 O ARG A 41 1.563 -14.273 4.929 1.00 0.00 O ATOM 567 CB ARG A 41 1.025 -14.382 8.115 1.00 0.00 C ATOM 568 CG ARG A 41 -0.248 -14.693 8.906 1.00 0.00 C ATOM 569 CD ARG A 41 -0.682 -13.488 9.742 1.00 0.00 C ATOM 570 NE ARG A 41 -1.003 -12.346 8.857 1.00 0.00 N ATOM 571 CZ ARG A 41 -1.559 -11.202 9.278 1.00 0.00 C ATOM 572 NH1 ARG A 41 -1.860 -11.041 10.573 1.00 0.00 N ATOM 573 NH2 ARG A 41 -1.814 -10.220 8.403 1.00 0.00 N ATOM 0 H ARG A 41 1.938 -16.660 8.562 1.00 0.00 H new ATOM 0 HA ARG A 41 0.289 -15.726 6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.881 -14.365 8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.949 -13.389 7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.048 -14.971 8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.075 -15.549 9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.553 -13.748 10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.113 -13.210 10.434 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.787 -12.436 7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.666 -11.789 11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.283 -10.170 10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.585 -10.343 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.237 -9.349 8.723 1.00 0.00 H new ATOM 587 N ARG A 42 3.411 -14.873 6.087 1.00 0.00 N ATOM 588 CA ARG A 42 4.336 -14.322 5.111 1.00 0.00 C ATOM 589 C ARG A 42 4.351 -15.185 3.848 1.00 0.00 C ATOM 590 O ARG A 42 4.233 -14.668 2.738 1.00 0.00 O ATOM 591 CB ARG A 42 5.754 -14.241 5.681 1.00 0.00 C ATOM 592 CG ARG A 42 6.167 -12.787 5.918 1.00 0.00 C ATOM 593 CD ARG A 42 6.070 -12.424 7.401 1.00 0.00 C ATOM 594 NE ARG A 42 7.148 -11.477 7.762 1.00 0.00 N ATOM 595 CZ ARG A 42 8.451 -11.792 7.775 1.00 0.00 C ATOM 596 NH1 ARG A 42 8.845 -13.030 7.448 1.00 0.00 N ATOM 597 NH2 ARG A 42 9.360 -10.868 8.116 1.00 0.00 N ATOM 0 H ARG A 42 3.854 -15.308 6.896 1.00 0.00 H new ATOM 0 HA ARG A 42 3.997 -13.316 4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.805 -14.795 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.454 -14.714 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.188 -12.634 5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.528 -12.124 5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.098 -11.979 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.147 -13.325 8.010 1.00 0.00 H new ATOM 0 HE ARG A 42 6.883 -10.525 8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.153 -13.734 7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.837 -13.269 7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.060 -9.925 8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.351 -11.107 8.126 1.00 0.00 H new ATOM 611 N ASN A 43 4.496 -16.485 4.059 1.00 0.00 N ATOM 612 CA ASN A 43 4.527 -17.424 2.950 1.00 0.00 C ATOM 613 C ASN A 43 3.285 -17.220 2.080 1.00 0.00 C ATOM 614 O ASN A 43 3.337 -17.409 0.865 1.00 0.00 O ATOM 615 CB ASN A 43 4.520 -18.869 3.453 1.00 0.00 C ATOM 616 CG ASN A 43 5.468 -19.741 2.627 1.00 0.00 C ATOM 617 OD1 ASN A 43 5.207 -20.076 1.483 1.00 0.00 O ATOM 618 ND2 ASN A 43 6.580 -20.089 3.268 1.00 0.00 N ATOM 0 H ASN A 43 4.593 -16.910 4.981 1.00 0.00 H new ATOM 0 HA ASN A 43 5.439 -17.244 2.380 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.817 -18.894 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.509 -19.272 3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.276 -20.671 2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.736 -19.774 4.226 1.00 0.00 H new ATOM 625 N CYS A 44 2.199 -16.838 2.734 1.00 0.00 N ATOM 626 CA CYS A 44 0.946 -16.607 2.035 1.00 0.00 C ATOM 627 C CYS A 44 1.252 -15.851 0.740 1.00 0.00 C ATOM 628 O CYS A 44 0.688 -16.158 -0.309 1.00 0.00 O ATOM 629 CB CYS A 44 -0.060 -15.856 2.910 1.00 0.00 C ATOM 630 SG CYS A 44 -1.717 -15.644 2.164 1.00 0.00 S ATOM 0 H CYS A 44 2.160 -16.682 3.741 1.00 0.00 H new ATOM 0 HA CYS A 44 0.478 -17.562 1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.168 -16.389 3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.346 -14.872 3.144 1.00 0.00 H new ATOM 635 N LYS A 45 2.143 -14.877 0.857 1.00 0.00 N ATOM 636 CA LYS A 45 2.529 -14.076 -0.292 1.00 0.00 C ATOM 637 C LYS A 45 3.079 -14.992 -1.386 1.00 0.00 C ATOM 638 O LYS A 45 2.628 -14.939 -2.529 1.00 0.00 O ATOM 639 CB LYS A 45 3.500 -12.970 0.129 1.00 0.00 C ATOM 640 CG LYS A 45 3.171 -11.654 -0.578 1.00 0.00 C ATOM 641 CD LYS A 45 3.746 -10.461 0.189 1.00 0.00 C ATOM 642 CE LYS A 45 4.706 -9.656 -0.690 1.00 0.00 C ATOM 643 NZ LYS A 45 6.041 -10.295 -0.720 1.00 0.00 N ATOM 0 H LYS A 45 2.608 -14.625 1.729 1.00 0.00 H new ATOM 0 HA LYS A 45 1.661 -13.566 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.451 -12.829 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.521 -13.268 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.576 -11.670 -1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.090 -11.546 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.935 -9.818 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.270 -10.813 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.308 -9.584 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.792 -8.639 -0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.776 -9.570 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.109 -10.993 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.177 -10.772 -1.634 1.00 0.00 H new ATOM 657 N LYS A 46 4.045 -15.811 -0.998 1.00 0.00 N ATOM 658 CA LYS A 46 4.661 -16.738 -1.932 1.00 0.00 C ATOM 659 C LYS A 46 3.677 -17.866 -2.249 1.00 0.00 C ATOM 660 O LYS A 46 3.925 -18.680 -3.136 1.00 0.00 O ATOM 661 CB LYS A 46 6.006 -17.229 -1.392 1.00 0.00 C ATOM 662 CG LYS A 46 7.088 -16.161 -1.561 1.00 0.00 C ATOM 663 CD LYS A 46 7.229 -15.751 -3.028 1.00 0.00 C ATOM 664 CE LYS A 46 8.599 -15.123 -3.292 1.00 0.00 C ATOM 665 NZ LYS A 46 8.592 -13.690 -2.922 1.00 0.00 N ATOM 0 H LYS A 46 4.417 -15.852 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 46 4.886 -16.236 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.906 -17.487 -0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.302 -18.138 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.839 -15.288 -0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.041 -16.542 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.095 -16.623 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.443 -15.042 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.363 -15.649 -2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.859 -15.232 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.570 -13.338 -2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.060 -13.150 -3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.141 -13.574 -1.992 1.00 0.00 H new ATOM 679 N ALA A 47 2.580 -17.877 -1.505 1.00 0.00 N ATOM 680 CA ALA A 47 1.558 -18.891 -1.695 1.00 0.00 C ATOM 681 C ALA A 47 0.723 -18.543 -2.929 1.00 0.00 C ATOM 682 O ALA A 47 0.680 -19.308 -3.891 1.00 0.00 O ATOM 683 CB ALA A 47 0.707 -19.003 -0.429 1.00 0.00 C ATOM 0 H ALA A 47 2.377 -17.200 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 47 2.014 -19.866 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.060 -19.764 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.342 -19.281 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.232 -18.044 -0.224 1.00 0.00 H new ATOM 689 N ASP A 48 0.080 -17.386 -2.862 1.00 0.00 N ATOM 690 CA ASP A 48 -0.751 -16.926 -3.962 1.00 0.00 C ATOM 691 C ASP A 48 -1.271 -15.522 -3.650 1.00 0.00 C ATOM 692 O ASP A 48 -2.465 -15.256 -3.775 1.00 0.00 O ATOM 693 CB ASP A 48 -1.959 -17.844 -4.160 1.00 0.00 C ATOM 694 CG ASP A 48 -2.468 -17.941 -5.600 1.00 0.00 C ATOM 695 OD1 ASP A 48 -1.610 -18.088 -6.497 1.00 0.00 O ATOM 696 OD2 ASP A 48 -3.704 -17.865 -5.771 1.00 0.00 O ATOM 0 H ASP A 48 0.118 -16.753 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.144 -16.928 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.697 -18.844 -3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.772 -17.491 -3.526 1.00 0.00 H new ATOM 701 N CYS A 49 -0.348 -14.659 -3.250 1.00 0.00 N ATOM 702 CA CYS A 49 -0.698 -13.288 -2.919 1.00 0.00 C ATOM 703 C CYS A 49 0.488 -12.390 -3.275 1.00 0.00 C ATOM 704 O CYS A 49 0.682 -11.341 -2.663 1.00 0.00 O ATOM 705 CB CYS A 49 -1.102 -13.146 -1.451 1.00 0.00 C ATOM 706 SG CYS A 49 -1.874 -14.636 -0.719 1.00 0.00 S ATOM 0 H CYS A 49 0.642 -14.883 -3.148 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.570 -12.983 -3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.217 -12.889 -0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.797 -12.312 -1.359 1.00 0.00 H new ATOM 711 N GLU A 50 1.251 -12.835 -4.262 1.00 0.00 N ATOM 712 CA GLU A 50 2.414 -12.085 -4.706 1.00 0.00 C ATOM 713 C GLU A 50 1.982 -10.897 -5.567 1.00 0.00 C ATOM 714 O GLU A 50 2.428 -9.771 -5.348 1.00 0.00 O ATOM 715 CB GLU A 50 3.391 -12.985 -5.464 1.00 0.00 C ATOM 716 CG GLU A 50 4.559 -13.404 -4.569 1.00 0.00 C ATOM 717 CD GLU A 50 5.682 -12.367 -4.612 1.00 0.00 C ATOM 718 OE1 GLU A 50 6.499 -12.454 -5.554 1.00 0.00 O ATOM 719 OE2 GLU A 50 5.699 -11.510 -3.701 1.00 0.00 O ATOM 0 H GLU A 50 1.087 -13.706 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 50 2.932 -11.702 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.869 -13.871 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.770 -12.459 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.210 -13.525 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.941 -14.372 -4.893 1.00 0.00 H new ATOM 726 N PRO A 51 1.095 -11.195 -6.555 1.00 0.00 N ATOM 727 CA PRO A 51 0.598 -10.165 -7.450 1.00 0.00 C ATOM 728 C PRO A 51 -0.432 -9.277 -6.747 1.00 0.00 C ATOM 729 O PRO A 51 -0.573 -8.101 -7.079 1.00 0.00 O ATOM 730 CB PRO A 51 0.020 -10.920 -8.636 1.00 0.00 C ATOM 731 CG PRO A 51 -0.205 -12.344 -8.154 1.00 0.00 C ATOM 732 CD PRO A 51 0.545 -12.516 -6.844 1.00 0.00 C ATOM 0 HA PRO A 51 1.379 -9.477 -7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.914 -10.468 -8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.704 -10.898 -9.484 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.269 -12.536 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.152 -13.059 -8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.120 -12.851 -6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.334 -13.262 -6.935 1.00 0.00 H new ATOM 740 N GLN A 52 -1.124 -9.875 -5.788 1.00 0.00 N ATOM 741 CA GLN A 52 -2.136 -9.153 -5.035 1.00 0.00 C ATOM 742 C GLN A 52 -1.478 -8.127 -4.111 1.00 0.00 C ATOM 743 O GLN A 52 -1.840 -6.951 -4.126 1.00 0.00 O ATOM 744 CB GLN A 52 -3.020 -10.118 -4.242 1.00 0.00 C ATOM 745 CG GLN A 52 -3.599 -11.204 -5.151 1.00 0.00 C ATOM 746 CD GLN A 52 -4.614 -12.066 -4.398 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.109 -11.707 -3.342 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.896 -13.219 -4.998 1.00 0.00 N ATOM 0 H GLN A 52 -1.004 -10.851 -5.515 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.776 -8.621 -5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.437 -10.579 -3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.831 -9.567 -3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.078 -10.743 -6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.794 -11.833 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.445 -13.458 -5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.563 -13.864 -4.575 1.00 0.00 H new ATOM 757 N ASP A 53 -0.523 -8.608 -3.328 1.00 0.00 N ATOM 758 CA ASP A 53 0.188 -7.746 -2.399 1.00 0.00 C ATOM 759 C ASP A 53 0.818 -6.584 -3.169 1.00 0.00 C ATOM 760 O ASP A 53 0.872 -5.461 -2.669 1.00 0.00 O ATOM 761 CB ASP A 53 1.310 -8.508 -1.691 1.00 0.00 C ATOM 762 CG ASP A 53 1.817 -7.860 -0.401 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.135 -8.042 0.631 1.00 0.00 O ATOM 764 OD2 ASP A 53 2.875 -7.199 -0.476 1.00 0.00 O ATOM 0 H ASP A 53 -0.225 -9.584 -3.318 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.526 -7.385 -1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.957 -9.513 -1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.148 -8.614 -2.380 1.00 0.00 H new ATOM 769 N LYS A 54 1.279 -6.893 -4.372 1.00 0.00 N ATOM 770 CA LYS A 54 1.903 -5.888 -5.215 1.00 0.00 C ATOM 771 C LYS A 54 0.882 -4.795 -5.540 1.00 0.00 C ATOM 772 O LYS A 54 1.112 -3.621 -5.253 1.00 0.00 O ATOM 773 CB LYS A 54 2.523 -6.537 -6.454 1.00 0.00 C ATOM 774 CG LYS A 54 3.868 -7.185 -6.118 1.00 0.00 C ATOM 775 CD LYS A 54 4.544 -7.731 -7.377 1.00 0.00 C ATOM 776 CE LYS A 54 5.903 -7.067 -7.602 1.00 0.00 C ATOM 777 NZ LYS A 54 5.804 -6.024 -8.648 1.00 0.00 N ATOM 0 H LYS A 54 1.233 -7.825 -4.783 1.00 0.00 H new ATOM 0 HA LYS A 54 2.728 -5.408 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.843 -7.289 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.661 -5.786 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.519 -6.453 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.717 -7.993 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.673 -8.810 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.903 -7.558 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.256 -6.624 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.637 -7.817 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.736 -5.583 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.487 -6.456 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.119 -5.299 -8.352 1.00 0.00 H new ATOM 791 N VAL A 55 -0.223 -5.220 -6.133 1.00 0.00 N ATOM 792 CA VAL A 55 -1.280 -4.293 -6.500 1.00 0.00 C ATOM 793 C VAL A 55 -1.573 -3.367 -5.317 1.00 0.00 C ATOM 794 O VAL A 55 -1.697 -2.155 -5.489 1.00 0.00 O ATOM 795 CB VAL A 55 -2.513 -5.065 -6.975 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.767 -4.192 -6.905 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.305 -5.614 -8.387 1.00 0.00 C ATOM 0 H VAL A 55 -0.410 -6.195 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.965 -3.666 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.657 -5.912 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.629 -4.765 -7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.930 -3.872 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.637 -3.316 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.196 -6.158 -8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.123 -4.789 -9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.448 -6.287 -8.393 1.00 0.00 H new ATOM 807 N CYS A 56 -1.676 -3.974 -4.144 1.00 0.00 N ATOM 808 CA CYS A 56 -1.952 -3.219 -2.933 1.00 0.00 C ATOM 809 C CYS A 56 -0.825 -2.205 -2.731 1.00 0.00 C ATOM 810 O CYS A 56 -1.078 -1.010 -2.588 1.00 0.00 O ATOM 811 CB CYS A 56 -2.119 -4.137 -1.720 1.00 0.00 C ATOM 812 SG CYS A 56 -2.663 -3.294 -0.190 1.00 0.00 S ATOM 0 H CYS A 56 -1.573 -4.979 -4.006 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.899 -2.690 -3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.842 -4.914 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.169 -4.635 -1.526 1.00 0.00 H new ATOM 817 N ASP A 57 0.396 -2.719 -2.726 1.00 0.00 N ATOM 818 CA ASP A 57 1.564 -1.873 -2.545 1.00 0.00 C ATOM 819 C ASP A 57 1.466 -0.668 -3.482 1.00 0.00 C ATOM 820 O ASP A 57 1.790 0.453 -3.093 1.00 0.00 O ATOM 821 CB ASP A 57 2.850 -2.630 -2.880 1.00 0.00 C ATOM 822 CG ASP A 57 3.977 -2.476 -1.857 1.00 0.00 C ATOM 823 OD1 ASP A 57 3.715 -2.784 -0.674 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.074 -2.053 -2.280 1.00 0.00 O ATOM 0 H ASP A 57 0.602 -3.711 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 57 1.593 -1.558 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.614 -3.689 -2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.212 -2.290 -3.850 1.00 0.00 H new ATOM 829 N ALA A 58 1.018 -0.940 -4.699 1.00 0.00 N ATOM 830 CA ALA A 58 0.874 0.108 -5.695 1.00 0.00 C ATOM 831 C ALA A 58 0.005 1.231 -5.125 1.00 0.00 C ATOM 832 O ALA A 58 0.351 2.406 -5.238 1.00 0.00 O ATOM 833 CB ALA A 58 0.291 -0.485 -6.979 1.00 0.00 C ATOM 0 H ALA A 58 0.750 -1.871 -5.018 1.00 0.00 H new ATOM 0 HA ALA A 58 1.845 0.536 -5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.183 0.301 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.959 -1.258 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.685 -0.921 -6.768 1.00 0.00 H new ATOM 839 N CYS A 59 -1.106 0.830 -4.525 1.00 0.00 N ATOM 840 CA CYS A 59 -2.026 1.788 -3.937 1.00 0.00 C ATOM 841 C CYS A 59 -1.254 2.639 -2.927 1.00 0.00 C ATOM 842 O CYS A 59 -1.251 3.866 -3.017 1.00 0.00 O ATOM 843 CB CYS A 59 -3.231 1.096 -3.297 1.00 0.00 C ATOM 844 SG CYS A 59 -4.554 2.226 -2.730 1.00 0.00 S ATOM 0 H CYS A 59 -1.390 -0.145 -4.433 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.432 2.432 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.655 0.396 -4.017 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.885 0.508 -2.446 1.00 0.00 H new ATOM 849 N ARG A 60 -0.618 1.954 -1.988 1.00 0.00 N ATOM 850 CA ARG A 60 0.156 2.632 -0.962 1.00 0.00 C ATOM 851 C ARG A 60 1.277 3.455 -1.600 1.00 0.00 C ATOM 852 O ARG A 60 1.796 4.385 -0.985 1.00 0.00 O ATOM 853 CB ARG A 60 0.765 1.629 0.021 1.00 0.00 C ATOM 854 CG ARG A 60 -0.317 0.741 0.638 1.00 0.00 C ATOM 855 CD ARG A 60 0.285 -0.225 1.661 1.00 0.00 C ATOM 856 NE ARG A 60 -0.592 -0.315 2.849 1.00 0.00 N ATOM 857 CZ ARG A 60 -0.206 -0.813 4.032 1.00 0.00 C ATOM 858 NH1 ARG A 60 1.044 -1.269 4.191 1.00 0.00 N ATOM 859 NH2 ARG A 60 -1.070 -0.854 5.056 1.00 0.00 N ATOM 0 H ARG A 60 -0.623 0.937 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.520 3.292 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.499 1.009 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.296 2.163 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.072 1.363 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.821 0.177 -0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.408 -1.211 1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.277 0.117 1.956 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.550 0.023 2.762 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.701 -1.237 3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.338 -1.648 5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.021 -0.506 4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.776 -1.233 5.956 1.00 0.00 H new ATOM 873 N MET A 61 1.618 3.082 -2.825 1.00 0.00 N ATOM 874 CA MET A 61 2.668 3.775 -3.553 1.00 0.00 C ATOM 875 C MET A 61 2.107 4.978 -4.313 1.00 0.00 C ATOM 876 O MET A 61 2.768 6.009 -4.426 1.00 0.00 O ATOM 877 CB MET A 61 3.328 2.809 -4.539 1.00 0.00 C ATOM 878 CG MET A 61 4.117 3.570 -5.607 1.00 0.00 C ATOM 879 SD MET A 61 5.714 2.809 -5.843 1.00 0.00 S ATOM 880 CE MET A 61 5.257 1.455 -6.913 1.00 0.00 C ATOM 0 H MET A 61 1.186 2.309 -3.332 1.00 0.00 H new ATOM 0 HA MET A 61 3.405 4.135 -2.835 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.994 2.134 -4.002 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.566 2.192 -5.015 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.564 3.573 -6.546 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.241 4.610 -5.307 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.144 0.872 -7.160 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.534 0.818 -6.405 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.814 1.848 -7.828 1.00 0.00 H new ATOM 890 N LYS A 62 0.892 4.806 -4.815 1.00 0.00 N ATOM 891 CA LYS A 62 0.234 5.864 -5.562 1.00 0.00 C ATOM 892 C LYS A 62 -0.238 6.949 -4.592 1.00 0.00 C ATOM 893 O LYS A 62 0.091 8.122 -4.758 1.00 0.00 O ATOM 894 CB LYS A 62 -0.884 5.290 -6.434 1.00 0.00 C ATOM 895 CG LYS A 62 -0.449 5.207 -7.898 1.00 0.00 C ATOM 896 CD LYS A 62 0.228 3.867 -8.195 1.00 0.00 C ATOM 897 CE LYS A 62 1.016 3.929 -9.505 1.00 0.00 C ATOM 898 NZ LYS A 62 0.539 2.891 -10.446 1.00 0.00 N ATOM 0 H LYS A 62 0.347 3.949 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 62 0.934 6.335 -6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.157 4.298 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.773 5.915 -6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.316 5.332 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.237 6.023 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.897 3.604 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.525 3.081 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.906 4.915 -9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.078 3.786 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.084 2.947 -11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.666 1.951 -10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.469 3.045 -10.651 1.00 0.00 H new ATOM 912 N CYS A 63 -1.003 6.518 -3.599 1.00 0.00 N ATOM 913 CA CYS A 63 -1.524 7.437 -2.602 1.00 0.00 C ATOM 914 C CYS A 63 -0.398 8.388 -2.190 1.00 0.00 C ATOM 915 O CYS A 63 -0.534 9.605 -2.309 1.00 0.00 O ATOM 916 CB CYS A 63 -2.112 6.695 -1.400 1.00 0.00 C ATOM 917 SG CYS A 63 -3.290 7.672 -0.396 1.00 0.00 S ATOM 0 H CYS A 63 -1.274 5.544 -3.464 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.346 8.012 -3.029 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.618 5.798 -1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.295 6.367 -0.758 1.00 0.00 H new ATOM 922 N HIS A 64 0.688 7.797 -1.715 1.00 0.00 N ATOM 923 CA HIS A 64 1.837 8.576 -1.285 1.00 0.00 C ATOM 924 C HIS A 64 2.056 9.743 -2.250 1.00 0.00 C ATOM 925 O HIS A 64 2.016 10.904 -1.845 1.00 0.00 O ATOM 926 CB HIS A 64 3.073 7.687 -1.140 1.00 0.00 C ATOM 927 CG HIS A 64 3.993 8.092 -0.013 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.367 8.167 -0.157 1.00 0.00 N ATOM 929 CD2 HIS A 64 3.721 8.443 1.276 1.00 0.00 C ATOM 930 CE1 HIS A 64 5.889 8.547 1.000 1.00 0.00 C ATOM 931 NE2 HIS A 64 4.867 8.717 1.888 1.00 0.00 N ATOM 0 H HIS A 64 0.797 6.787 -1.618 1.00 0.00 H new ATOM 0 HA HIS A 64 1.646 8.997 -0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.751 6.658 -0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.632 7.704 -2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.739 8.490 1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.939 8.696 1.204 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.967 9.007 2.861 1.00 0.00 H new ATOM 939 N LYS A 65 2.281 9.395 -3.508 1.00 0.00 N ATOM 940 CA LYS A 65 2.506 10.399 -4.534 1.00 0.00 C ATOM 941 C LYS A 65 1.262 11.280 -4.661 1.00 0.00 C ATOM 942 O LYS A 65 1.362 12.506 -4.659 1.00 0.00 O ATOM 943 CB LYS A 65 2.928 9.738 -5.847 1.00 0.00 C ATOM 944 CG LYS A 65 2.417 10.533 -7.051 1.00 0.00 C ATOM 945 CD LYS A 65 2.895 9.909 -8.363 1.00 0.00 C ATOM 946 CE LYS A 65 1.713 9.400 -9.191 1.00 0.00 C ATOM 947 NZ LYS A 65 1.649 7.922 -9.150 1.00 0.00 N ATOM 0 H LYS A 65 2.312 8.431 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 65 3.332 11.052 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.015 9.666 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.539 8.720 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.328 10.564 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.766 11.563 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.455 10.647 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.577 9.085 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.784 9.821 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.812 9.737 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.746 7.602 -9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.436 7.525 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.720 7.599 -8.164 1.00 0.00 H new ATOM 961 N ALA A 66 0.118 10.621 -4.768 1.00 0.00 N ATOM 962 CA ALA A 66 -1.145 11.328 -4.895 1.00 0.00 C ATOM 963 C ALA A 66 -1.219 12.425 -3.831 1.00 0.00 C ATOM 964 O ALA A 66 -1.646 13.543 -4.116 1.00 0.00 O ATOM 965 CB ALA A 66 -2.302 10.333 -4.789 1.00 0.00 C ATOM 0 H ALA A 66 0.039 9.604 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.219 11.809 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.249 10.864 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.220 9.593 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.263 9.832 -3.822 1.00 0.00 H new ATOM 971 N CYS A 67 -0.798 12.067 -2.627 1.00 0.00 N ATOM 972 CA CYS A 67 -0.812 13.006 -1.519 1.00 0.00 C ATOM 973 C CYS A 67 0.252 14.074 -1.782 1.00 0.00 C ATOM 974 O CYS A 67 0.082 15.232 -1.401 1.00 0.00 O ATOM 975 CB CYS A 67 -0.595 12.303 -0.178 1.00 0.00 C ATOM 976 SG CYS A 67 -0.348 13.425 1.246 1.00 0.00 S ATOM 0 H CYS A 67 -0.445 11.139 -2.395 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.792 13.478 -1.452 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.455 11.665 0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.273 11.650 -0.263 1.00 0.00 H new ATOM 981 N ARG A 68 1.326 13.648 -2.431 1.00 0.00 N ATOM 982 CA ARG A 68 2.417 14.553 -2.749 1.00 0.00 C ATOM 983 C ARG A 68 1.947 15.625 -3.734 1.00 0.00 C ATOM 984 O ARG A 68 2.456 16.745 -3.728 1.00 0.00 O ATOM 985 CB ARG A 68 3.601 13.797 -3.354 1.00 0.00 C ATOM 986 CG ARG A 68 4.868 14.654 -3.331 1.00 0.00 C ATOM 987 CD ARG A 68 5.205 15.173 -4.730 1.00 0.00 C ATOM 988 NE ARG A 68 6.479 14.583 -5.196 1.00 0.00 N ATOM 989 CZ ARG A 68 6.881 14.576 -6.475 1.00 0.00 C ATOM 990 NH1 ARG A 68 6.110 15.127 -7.422 1.00 0.00 N ATOM 991 NH2 ARG A 68 8.053 14.017 -6.806 1.00 0.00 N ATOM 0 H ARG A 68 1.464 12.687 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 68 2.739 15.024 -1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.771 12.875 -2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.369 13.512 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.730 15.495 -2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.702 14.066 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.403 14.920 -5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.282 16.260 -4.715 1.00 0.00 H new ATOM 0 HE ARG A 68 7.090 14.155 -4.501 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.218 15.552 -7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.415 15.122 -8.395 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.639 13.597 -6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.359 14.012 -7.779 1.00 0.00 H new ATOM 1005 N ALA A 69 0.982 15.244 -4.558 1.00 0.00 N ATOM 1006 CA ALA A 69 0.438 16.159 -5.547 1.00 0.00 C ATOM 1007 C ALA A 69 -0.819 16.825 -4.983 1.00 0.00 C ATOM 1008 O ALA A 69 -1.060 18.007 -5.223 1.00 0.00 O ATOM 1009 CB ALA A 69 0.162 15.400 -6.847 1.00 0.00 C ATOM 0 H ALA A 69 0.563 14.314 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 69 1.155 16.948 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.246 16.086 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.091 14.971 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.556 14.602 -6.657 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.587 16.037 -4.244 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.812 16.536 -3.644 1.00 0.00 C ATOM 1017 C ALA A 70 -2.465 17.552 -2.554 1.00 0.00 C ATOM 1018 O ALA A 70 -2.366 18.748 -2.824 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.632 15.362 -3.106 1.00 0.00 C ATOM 0 H ALA A 70 -1.384 15.057 -4.048 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.423 17.047 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.551 15.736 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.878 14.685 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.052 14.827 -2.354 1.00 0.00 H new ATOM 1025 N ASN A 71 -2.289 17.038 -1.345 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.955 17.886 -0.213 1.00 0.00 C ATOM 1027 C ASN A 71 -0.711 18.711 -0.549 1.00 0.00 C ATOM 1028 O ASN A 71 -0.787 19.932 -0.679 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.646 17.049 1.029 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.900 16.853 1.884 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -3.505 17.794 2.370 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -3.254 15.580 2.040 1.00 0.00 N ATOM 0 H ASN A 71 -2.371 16.045 -1.125 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.810 18.530 -0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.251 16.079 0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.872 17.540 1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.077 15.344 2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.702 14.840 1.605 1.00 0.00 H new ATOM 1039 N CYS A 72 0.406 18.011 -0.680 1.00 0.00 N ATOM 1040 CA CYS A 72 1.665 18.663 -0.998 1.00 0.00 C ATOM 1041 C CYS A 72 1.656 19.027 -2.484 1.00 0.00 C ATOM 1042 O CYS A 72 0.868 18.481 -3.256 1.00 0.00 O ATOM 1043 CB CYS A 72 2.865 17.786 -0.633 1.00 0.00 C ATOM 1044 SG CYS A 72 2.882 17.191 1.097 1.00 0.00 S ATOM 0 H CYS A 72 0.466 16.999 -0.572 1.00 0.00 H new ATOM 0 HA CYS A 72 1.767 19.571 -0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.883 16.924 -1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.779 18.350 -0.817 1.00 0.00 H new ATOM 1049 N ALA A 73 2.540 19.946 -2.841 1.00 0.00 N ATOM 1050 CA ALA A 73 2.643 20.389 -4.221 1.00 0.00 C ATOM 1051 C ALA A 73 3.782 21.404 -4.343 1.00 0.00 C ATOM 1052 O ALA A 73 4.533 21.386 -5.317 1.00 0.00 O ATOM 1053 CB ALA A 73 1.300 20.964 -4.675 1.00 0.00 C ATOM 0 H ALA A 73 3.192 20.396 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 73 2.877 19.550 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.378 21.296 -5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.530 20.196 -4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.034 21.810 -4.042 1.00 0.00 H new ATOM 1059 N SER A 74 3.875 22.265 -3.340 1.00 0.00 N ATOM 1060 CA SER A 74 4.910 23.284 -3.322 1.00 0.00 C ATOM 1061 C SER A 74 5.988 22.919 -2.300 1.00 0.00 C ATOM 1062 O SER A 74 7.066 23.510 -2.291 1.00 0.00 O ATOM 1063 CB SER A 74 4.321 24.661 -3.004 1.00 0.00 C ATOM 1064 OG SER A 74 4.227 25.482 -4.165 1.00 0.00 O ATOM 0 H SER A 74 3.250 22.278 -2.534 1.00 0.00 H new ATOM 0 HA SER A 74 5.361 23.331 -4.313 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.331 24.539 -2.565 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.942 25.157 -2.258 1.00 0.00 H new ATOM 0 HG SER A 74 3.845 26.351 -3.921 1.00 0.00 H new ATOM 1070 N GLU A 75 5.658 21.946 -1.462 1.00 0.00 N ATOM 1071 CA GLU A 75 6.584 21.495 -0.438 1.00 0.00 C ATOM 1072 C GLU A 75 7.553 20.462 -1.016 1.00 0.00 C ATOM 1073 O GLU A 75 8.631 20.241 -0.467 1.00 0.00 O ATOM 1074 CB GLU A 75 5.834 20.927 0.769 1.00 0.00 C ATOM 1075 CG GLU A 75 4.840 21.948 1.326 1.00 0.00 C ATOM 1076 CD GLU A 75 5.557 23.021 2.147 1.00 0.00 C ATOM 1077 OE1 GLU A 75 6.332 23.784 1.531 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.315 23.053 3.373 1.00 0.00 O ATOM 0 H GLU A 75 4.762 21.458 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 75 7.161 22.354 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.305 20.019 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.546 20.646 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.296 22.416 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.103 21.441 1.949 1.00 0.00 H new ATOM 1085 N CYS A 76 7.135 19.857 -2.118 1.00 0.00 N ATOM 1086 CA CYS A 76 7.952 18.853 -2.777 1.00 0.00 C ATOM 1087 C CYS A 76 8.207 19.309 -4.215 1.00 0.00 C ATOM 1088 O CYS A 76 7.374 19.095 -5.095 1.00 0.00 O ATOM 1089 CB CYS A 76 7.301 17.469 -2.725 1.00 0.00 C ATOM 1090 SG CYS A 76 6.527 17.046 -1.121 1.00 0.00 S ATOM 0 H CYS A 76 6.240 20.043 -2.571 1.00 0.00 H new ATOM 0 HA CYS A 76 8.903 18.755 -2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.542 17.410 -3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.056 16.718 -2.957 1.00 0.00 H new ATOM 1095 N PRO A 77 9.392 19.946 -4.415 1.00 0.00 N ATOM 1096 CA PRO A 77 9.767 20.434 -5.731 1.00 0.00 C ATOM 1097 C PRO A 77 10.193 19.281 -6.642 1.00 0.00 C ATOM 1098 O PRO A 77 10.074 18.114 -6.271 1.00 0.00 O ATOM 1099 CB PRO A 77 10.883 21.434 -5.477 1.00 0.00 C ATOM 1100 CG PRO A 77 11.408 21.127 -4.083 1.00 0.00 C ATOM 1101 CD PRO A 77 10.403 20.216 -3.397 1.00 0.00 C ATOM 0 HA PRO A 77 8.938 20.908 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.672 21.336 -6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.512 22.457 -5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.384 20.645 -4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.540 22.047 -3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.874 19.295 -3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.965 20.697 -2.522 1.00 0.00 H new ATOM 1109 N LYS A 78 10.682 19.648 -7.818 1.00 0.00 N ATOM 1110 CA LYS A 78 11.126 18.659 -8.785 1.00 0.00 C ATOM 1111 C LYS A 78 12.579 18.280 -8.490 1.00 0.00 C ATOM 1112 O LYS A 78 13.413 19.149 -8.240 1.00 0.00 O ATOM 1113 CB LYS A 78 10.901 19.166 -10.212 1.00 0.00 C ATOM 1114 CG LYS A 78 11.271 18.094 -11.239 1.00 0.00 C ATOM 1115 CD LYS A 78 10.117 17.111 -11.446 1.00 0.00 C ATOM 1116 CE LYS A 78 10.544 15.944 -12.338 1.00 0.00 C ATOM 1117 NZ LYS A 78 9.530 15.694 -13.386 1.00 0.00 N ATOM 0 H LYS A 78 10.780 20.617 -8.123 1.00 0.00 H new ATOM 0 HA LYS A 78 10.534 17.748 -8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.857 19.452 -10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.500 20.061 -10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.525 18.567 -12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.157 17.555 -10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.780 16.732 -10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.271 17.628 -11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.506 16.165 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.679 15.047 -11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.836 14.899 -13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.620 15.462 -12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.421 16.545 -13.973 1.00 0.00 H new ATOM 1131 N HIS A 79 12.837 16.981 -8.528 1.00 0.00 N ATOM 1132 CA HIS A 79 14.175 16.476 -8.267 1.00 0.00 C ATOM 1133 C HIS A 79 14.629 16.922 -6.876 1.00 0.00 C ATOM 1134 O HIS A 79 15.000 18.079 -6.681 1.00 0.00 O ATOM 1135 CB HIS A 79 15.142 16.904 -9.372 1.00 0.00 C ATOM 1136 CG HIS A 79 15.518 15.793 -10.324 1.00 0.00 C ATOM 1137 ND1 HIS A 79 14.850 15.568 -11.515 1.00 0.00 N ATOM 1138 CD2 HIS A 79 16.499 14.849 -10.248 1.00 0.00 C ATOM 1139 CE1 HIS A 79 15.411 14.531 -12.120 1.00 0.00 C ATOM 1140 NE2 HIS A 79 16.433 14.087 -11.333 1.00 0.00 N ATOM 0 H HIS A 79 12.143 16.263 -8.735 1.00 0.00 H new ATOM 0 HA HIS A 79 14.165 15.386 -8.276 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.691 17.718 -9.940 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.049 17.299 -8.914 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.209 14.740 -9.442 1.00 0.00 H new ATOM 0 HE1 HIS A 79 15.112 14.111 -13.069 1.00 0.00 H new ATOM 0 HE2 HIS A 79 17.046 13.299 -11.544 1.00 0.00 H new ATOM 1148 N GLU A 80 14.586 15.981 -5.944 1.00 0.00 N ATOM 1149 CA GLU A 80 14.989 16.262 -4.577 1.00 0.00 C ATOM 1150 C GLU A 80 14.549 15.127 -3.650 1.00 0.00 C ATOM 1151 O GLU A 80 15.207 14.849 -2.649 1.00 0.00 O ATOM 1152 CB GLU A 80 14.427 17.605 -4.105 1.00 0.00 C ATOM 1153 CG GLU A 80 15.551 18.612 -3.856 1.00 0.00 C ATOM 1154 CD GLU A 80 15.332 19.364 -2.541 1.00 0.00 C ATOM 1155 OE1 GLU A 80 14.168 19.743 -2.291 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.335 19.542 -1.816 1.00 0.00 O ATOM 0 H GLU A 80 14.278 15.023 -6.109 1.00 0.00 H new ATOM 0 HA GLU A 80 16.076 16.329 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.740 17.999 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.853 17.462 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.509 18.093 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.598 19.322 -4.682 1.00 0.00 H new ATOM 1163 N HIS A 81 13.439 14.503 -4.017 1.00 0.00 N ATOM 1164 CA HIS A 81 12.904 13.405 -3.230 1.00 0.00 C ATOM 1165 C HIS A 81 12.180 13.958 -2.002 1.00 0.00 C ATOM 1166 O HIS A 81 11.585 15.033 -2.059 1.00 0.00 O ATOM 1167 CB HIS A 81 14.006 12.407 -2.870 1.00 0.00 C ATOM 1168 CG HIS A 81 14.950 12.096 -4.007 1.00 0.00 C ATOM 1169 ND1 HIS A 81 14.715 11.083 -4.920 1.00 0.00 N ATOM 1170 CD2 HIS A 81 16.130 12.675 -4.369 1.00 0.00 C ATOM 1171 CE1 HIS A 81 15.716 11.062 -5.788 1.00 0.00 C ATOM 1172 NE2 HIS A 81 16.592 12.049 -5.445 1.00 0.00 N ATOM 0 H HIS A 81 12.896 14.737 -4.848 1.00 0.00 H new ATOM 0 HA HIS A 81 12.173 12.853 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.581 12.803 -2.033 1.00 0.00 H new ATOM 0 HB3 HIS A 81 13.545 11.480 -2.530 1.00 0.00 H new ATOM 0 HD2 HIS A 81 16.608 13.503 -3.866 1.00 0.00 H new ATOM 0 HE1 HIS A 81 15.820 10.382 -6.621 1.00 0.00 H new ATOM 0 HE2 HIS A 81 17.459 12.270 -5.934 1.00 0.00 H new ATOM 1180 N LYS A 82 12.255 13.199 -0.918 1.00 0.00 N ATOM 1181 CA LYS A 82 11.615 13.601 0.323 1.00 0.00 C ATOM 1182 C LYS A 82 12.347 14.813 0.901 1.00 0.00 C ATOM 1183 O LYS A 82 13.227 14.666 1.747 1.00 0.00 O ATOM 1184 CB LYS A 82 11.528 12.417 1.288 1.00 0.00 C ATOM 1185 CG LYS A 82 10.118 11.823 1.303 1.00 0.00 C ATOM 1186 CD LYS A 82 10.019 10.622 0.360 1.00 0.00 C ATOM 1187 CE LYS A 82 8.930 10.839 -0.692 1.00 0.00 C ATOM 1188 NZ LYS A 82 9.039 9.828 -1.767 1.00 0.00 N ATOM 0 H LYS A 82 12.749 12.308 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 82 10.586 13.909 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.246 11.651 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.800 12.741 2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.859 11.516 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.396 12.584 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.978 10.462 -0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.801 9.721 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.947 10.777 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.019 11.840 -1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.292 9.990 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.970 9.906 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.931 8.877 -1.361 1.00 0.00 H new ATOM 1202 N SER A 83 11.956 15.985 0.420 1.00 0.00 N ATOM 1203 CA SER A 83 12.565 17.222 0.879 1.00 0.00 C ATOM 1204 C SER A 83 12.191 17.479 2.340 1.00 0.00 C ATOM 1205 O SER A 83 11.219 16.918 2.844 1.00 0.00 O ATOM 1206 CB SER A 83 12.136 18.403 0.006 1.00 0.00 C ATOM 1207 OG SER A 83 11.305 19.318 0.716 1.00 0.00 O ATOM 0 H SER A 83 11.226 16.104 -0.282 1.00 0.00 H new ATOM 0 HA SER A 83 13.647 17.120 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.021 18.925 -0.358 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.602 18.032 -0.869 1.00 0.00 H new ATOM 0 HG SER A 83 11.732 20.200 0.736 1.00 0.00 H new ATOM 1213 N ASP A 84 12.983 18.327 2.980 1.00 0.00 N ATOM 1214 CA ASP A 84 12.748 18.665 4.373 1.00 0.00 C ATOM 1215 C ASP A 84 11.303 19.139 4.541 1.00 0.00 C ATOM 1216 O ASP A 84 10.518 18.510 5.250 1.00 0.00 O ATOM 1217 CB ASP A 84 13.672 19.795 4.829 1.00 0.00 C ATOM 1218 CG ASP A 84 15.115 19.692 4.331 1.00 0.00 C ATOM 1219 OD1 ASP A 84 15.548 18.547 4.080 1.00 0.00 O ATOM 1220 OD2 ASP A 84 15.752 20.761 4.213 1.00 0.00 O ATOM 0 H ASP A 84 13.788 18.790 2.559 1.00 0.00 H new ATOM 0 HA ASP A 84 12.942 17.776 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.254 20.744 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.681 19.819 5.919 1.00 0.00 H new ATOM 1225 N THR A 85 10.995 20.243 3.878 1.00 0.00 N ATOM 1226 CA THR A 85 9.658 20.809 3.945 1.00 0.00 C ATOM 1227 C THR A 85 8.635 19.831 3.363 1.00 0.00 C ATOM 1228 O THR A 85 7.442 19.935 3.642 1.00 0.00 O ATOM 1229 CB THR A 85 9.680 22.162 3.231 1.00 0.00 C ATOM 1230 OG1 THR A 85 8.623 22.895 3.844 1.00 0.00 O ATOM 1231 CG2 THR A 85 9.259 22.056 1.764 1.00 0.00 C ATOM 0 H THR A 85 11.648 20.762 3.291 1.00 0.00 H new ATOM 0 HA THR A 85 9.351 20.976 4.977 1.00 0.00 H new ATOM 0 HB THR A 85 10.681 22.588 3.291 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.567 23.787 3.441 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.292 23.044 1.304 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.940 21.387 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.245 21.661 1.704 1.00 0.00 H new ATOM 1239 N CYS A 86 9.141 18.903 2.564 1.00 0.00 N ATOM 1240 CA CYS A 86 8.286 17.907 1.939 1.00 0.00 C ATOM 1241 C CYS A 86 7.885 16.883 3.003 1.00 0.00 C ATOM 1242 O CYS A 86 6.705 16.740 3.318 1.00 0.00 O ATOM 1243 CB CYS A 86 8.970 17.247 0.740 1.00 0.00 C ATOM 1244 SG CYS A 86 7.962 15.983 -0.118 1.00 0.00 S ATOM 0 H CYS A 86 10.131 18.820 2.335 1.00 0.00 H new ATOM 0 HA CYS A 86 7.391 18.388 1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.243 18.022 0.023 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.897 16.784 1.078 1.00 0.00 H new ATOM 1249 N ARG A 87 8.890 16.197 3.527 1.00 0.00 N ATOM 1250 CA ARG A 87 8.657 15.190 4.548 1.00 0.00 C ATOM 1251 C ARG A 87 7.730 15.741 5.634 1.00 0.00 C ATOM 1252 O ARG A 87 6.886 15.017 6.159 1.00 0.00 O ATOM 1253 CB ARG A 87 9.972 14.742 5.190 1.00 0.00 C ATOM 1254 CG ARG A 87 10.870 14.041 4.168 1.00 0.00 C ATOM 1255 CD ARG A 87 11.985 13.258 4.864 1.00 0.00 C ATOM 1256 NE ARG A 87 11.422 12.070 5.543 1.00 0.00 N ATOM 1257 CZ ARG A 87 12.130 11.248 6.330 1.00 0.00 C ATOM 1258 NH1 ARG A 87 13.433 11.481 6.542 1.00 0.00 N ATOM 1259 NH2 ARG A 87 11.536 10.194 6.905 1.00 0.00 N ATOM 0 H ARG A 87 9.868 16.319 3.263 1.00 0.00 H new ATOM 0 HA ARG A 87 8.189 14.331 4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.492 15.606 5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.764 14.067 6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.272 13.364 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.305 14.779 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.734 12.949 4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.491 13.896 5.589 1.00 0.00 H new ATOM 0 HE ARG A 87 10.433 11.864 5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.885 12.284 6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.972 10.856 7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.545 10.017 6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.075 9.569 7.504 1.00 0.00 H new ATOM 1273 N ALA A 88 7.918 17.017 5.937 1.00 0.00 N ATOM 1274 CA ALA A 88 7.109 17.672 6.950 1.00 0.00 C ATOM 1275 C ALA A 88 5.666 17.779 6.453 1.00 0.00 C ATOM 1276 O ALA A 88 4.726 17.532 7.207 1.00 0.00 O ATOM 1277 CB ALA A 88 7.714 19.037 7.283 1.00 0.00 C ATOM 0 H ALA A 88 8.619 17.615 5.499 1.00 0.00 H new ATOM 0 HA ALA A 88 7.098 17.087 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.107 19.528 8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.728 18.903 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.739 19.653 6.384 1.00 0.00 H new ATOM 1283 N CYS A 89 5.535 18.149 5.188 1.00 0.00 N ATOM 1284 CA CYS A 89 4.223 18.292 4.581 1.00 0.00 C ATOM 1285 C CYS A 89 3.557 16.915 4.546 1.00 0.00 C ATOM 1286 O CYS A 89 2.443 16.747 5.038 1.00 0.00 O ATOM 1287 CB CYS A 89 4.308 18.921 3.189 1.00 0.00 C ATOM 1288 SG CYS A 89 2.744 18.897 2.239 1.00 0.00 S ATOM 0 H CYS A 89 6.317 18.354 4.566 1.00 0.00 H new ATOM 0 HA CYS A 89 3.616 18.973 5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.638 19.955 3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.073 18.398 2.615 1.00 0.00 H new ATOM 1293 N MET A 90 4.269 15.964 3.958 1.00 0.00 N ATOM 1294 CA MET A 90 3.761 14.607 3.851 1.00 0.00 C ATOM 1295 C MET A 90 3.597 13.973 5.234 1.00 0.00 C ATOM 1296 O MET A 90 2.754 13.098 5.424 1.00 0.00 O ATOM 1297 CB MET A 90 4.726 13.765 3.015 1.00 0.00 C ATOM 1298 CG MET A 90 4.833 14.308 1.588 1.00 0.00 C ATOM 1299 SD MET A 90 5.801 13.196 0.582 1.00 0.00 S ATOM 1300 CE MET A 90 4.719 11.776 0.559 1.00 0.00 C ATOM 0 H MET A 90 5.193 16.107 3.551 1.00 0.00 H new ATOM 0 HA MET A 90 2.784 14.642 3.369 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.711 13.763 3.482 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.383 12.731 2.990 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.838 14.426 1.160 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.294 15.296 1.600 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.123 11.022 -0.116 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.643 11.360 1.564 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.730 12.078 0.216 1.00 0.00 H new ATOM 1310 N LYS A 91 4.417 14.439 6.165 1.00 0.00 N ATOM 1311 CA LYS A 91 4.374 13.928 7.524 1.00 0.00 C ATOM 1312 C LYS A 91 2.964 14.115 8.090 1.00 0.00 C ATOM 1313 O LYS A 91 2.339 13.155 8.538 1.00 0.00 O ATOM 1314 CB LYS A 91 5.468 14.576 8.375 1.00 0.00 C ATOM 1315 CG LYS A 91 5.149 14.450 9.867 1.00 0.00 C ATOM 1316 CD LYS A 91 6.357 14.841 10.720 1.00 0.00 C ATOM 1317 CE LYS A 91 5.977 15.903 11.754 1.00 0.00 C ATOM 1318 NZ LYS A 91 6.490 15.530 13.092 1.00 0.00 N ATOM 0 H LYS A 91 5.115 15.165 6.004 1.00 0.00 H new ATOM 0 HA LYS A 91 4.584 12.859 7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.427 14.103 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.566 15.628 8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.301 15.088 10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.855 13.425 10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.750 13.959 11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.152 15.221 10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.385 16.870 11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.893 16.012 11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.224 16.261 13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.081 14.618 13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.526 15.449 13.056 1.00 0.00 H new ATOM 1332 N THR A 92 2.504 15.357 8.049 1.00 0.00 N ATOM 1333 CA THR A 92 1.180 15.681 8.552 1.00 0.00 C ATOM 1334 C THR A 92 0.110 15.276 7.536 1.00 0.00 C ATOM 1335 O THR A 92 -0.774 14.478 7.844 1.00 0.00 O ATOM 1336 CB THR A 92 1.157 17.171 8.897 1.00 0.00 C ATOM 1337 OG1 THR A 92 1.954 17.267 10.074 1.00 0.00 O ATOM 1338 CG2 THR A 92 -0.226 17.648 9.342 1.00 0.00 C ATOM 0 H THR A 92 3.025 16.151 7.675 1.00 0.00 H new ATOM 0 HA THR A 92 0.953 15.119 9.458 1.00 0.00 H new ATOM 0 HB THR A 92 1.478 17.749 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.994 18.201 10.366 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.186 18.712 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.945 17.478 8.540 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.534 17.094 10.229 1.00 0.00 H new ATOM 1346 N ASN A 93 0.225 15.845 6.345 1.00 0.00 N ATOM 1347 CA ASN A 93 -0.722 15.553 5.282 1.00 0.00 C ATOM 1348 C ASN A 93 -0.748 14.045 5.028 1.00 0.00 C ATOM 1349 O ASN A 93 -1.737 13.378 5.332 1.00 0.00 O ATOM 1350 CB ASN A 93 -0.316 16.244 3.978 1.00 0.00 C ATOM 1351 CG ASN A 93 -0.531 17.757 4.070 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -1.584 18.281 3.748 1.00 0.00 O ATOM 1353 ND2 ASN A 93 0.524 18.426 4.525 1.00 0.00 N ATOM 0 H ASN A 93 0.959 16.507 6.093 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.701 15.916 5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.732 16.034 3.762 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.899 15.840 3.151 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.481 19.440 4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.376 17.925 4.777 1.00 0.00 H new ATOM 1360 N CYS A 94 0.349 13.550 4.475 1.00 0.00 N ATOM 1361 CA CYS A 94 0.464 12.133 4.178 1.00 0.00 C ATOM 1362 C CYS A 94 0.737 11.388 5.486 1.00 0.00 C ATOM 1363 O CYS A 94 1.838 10.880 5.697 1.00 0.00 O ATOM 1364 CB CYS A 94 1.544 11.860 3.129 1.00 0.00 C ATOM 1365 SG CYS A 94 1.588 13.055 1.744 1.00 0.00 S ATOM 0 H CYS A 94 1.167 14.106 4.225 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.469 11.773 3.745 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.517 11.860 3.621 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.392 10.860 2.723 1.00 0.00 H new ATOM 1370 N LYS A 95 -0.283 11.347 6.330 1.00 0.00 N ATOM 1371 CA LYS A 95 -0.166 10.672 7.612 1.00 0.00 C ATOM 1372 C LYS A 95 0.620 9.373 7.430 1.00 0.00 C ATOM 1373 O LYS A 95 0.051 8.284 7.494 1.00 0.00 O ATOM 1374 CB LYS A 95 -1.547 10.473 8.240 1.00 0.00 C ATOM 1375 CG LYS A 95 -1.529 10.831 9.728 1.00 0.00 C ATOM 1376 CD LYS A 95 -2.386 9.856 10.537 1.00 0.00 C ATOM 1377 CE LYS A 95 -1.543 8.694 11.067 1.00 0.00 C ATOM 1378 NZ LYS A 95 -2.214 8.050 12.218 1.00 0.00 N ATOM 0 H LYS A 95 -1.194 11.770 6.152 1.00 0.00 H new ATOM 0 HA LYS A 95 0.394 11.287 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.279 11.093 7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.861 9.437 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.504 10.813 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.899 11.847 9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.852 10.381 11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.192 9.470 9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.383 7.962 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.560 9.057 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.629 7.264 12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.344 8.747 12.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.141 7.686 11.920 1.00 0.00 H new