USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 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 38 GLN : amide:sc= 0.676 K(o=-0.8,f=-16!) USER MOD Set 1.2: A 61 LYS NZ :NH3+ 153:sc= -1.47! (180deg=-2.7) USER MOD Set 2.1: A 14 CYS SG : rot -87:sc= -16! USER MOD Set 2.2: A 64 CYS SG : rot -47:sc= -18.2! USER MOD Single : A 10 LYS NZ :NH3+ -179:sc= -1.21 (180deg=-1.31) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0221 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 155:sc= -1.04! USER MOD Single : A 32 TYR OH : rot 107:sc= 0.355 USER MOD Single : A 33 ASN : amide:sc= 0.366 K(o=0.37,f=-8.1!) USER MOD Single : A 34 ASN : amide:sc= -1.8 K(o=-1.8,f=-7.8!) USER MOD Single : A 35 GLN : amide:sc= -0.0691 X(o=-0.069,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.83! C(o=-3.8!,f=-15!) USER MOD Single : A 51 MET CE :methyl 167:sc= -1.14 (180deg=-1.63) USER MOD Single : A 52 ASN :FLIP amide:sc= -6.77! C(o=-7.7!,f=-6.8!) USER MOD Single : A 53 ASN : amide:sc= -12.7! C(o=-13!,f=-23!) USER MOD Single : A 56 THR OG1 : rot 153:sc= -1.08 USER MOD Single : A 62 ASN : amide:sc=-0.00615 X(o=-0.0062,f=0.0027) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 5.842 12.910 4.963 1.00 1.00 N ATOM 146 CA LYS A 10 6.087 14.045 5.836 1.00 1.00 C ATOM 147 C LYS A 10 6.789 13.563 7.107 1.00 1.00 C ATOM 148 O LYS A 10 6.332 12.571 7.693 1.00 1.00 O ATOM 149 CB LYS A 10 4.787 14.806 6.102 1.00 1.00 C ATOM 150 CG LYS A 10 4.932 16.285 5.737 1.00 1.00 C ATOM 151 CD LYS A 10 4.309 17.178 6.812 1.00 1.00 C ATOM 152 CE LYS A 10 5.332 17.530 7.893 1.00 1.00 C ATOM 153 NZ LYS A 10 4.751 18.468 8.867 1.00 1.00 N ATOM 0 HA LYS A 10 6.755 14.759 5.354 1.00 1.00 H new ATOM 0 HB2 LYS A 10 3.977 14.363 5.523 1.00 1.00 H new ATOM 0 HB3 LYS A 10 4.515 14.712 7.153 1.00 1.00 H new ATOM 0 HG2 LYS A 10 5.987 16.533 5.620 1.00 1.00 H new ATOM 0 HG3 LYS A 10 4.451 16.475 4.777 1.00 1.00 H new ATOM 0 HD2 LYS A 10 3.929 18.092 6.355 1.00 1.00 H new ATOM 0 HD3 LYS A 10 3.458 16.669 7.264 1.00 1.00 H new ATOM 0 HE2 LYS A 10 5.658 16.623 8.402 1.00 1.00 H new ATOM 0 HE3 LYS A 10 6.216 17.974 7.435 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 5.464 18.710 9.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 4.446 19.333 8.377 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 3.931 18.025 9.329 1.00 1.00 H new ATOM 167 N PRO A 11 7.868 14.263 7.501 1.00 1.00 N ATOM 168 CA PRO A 11 8.647 13.937 8.684 1.00 1.00 C ATOM 169 C PRO A 11 7.754 13.861 9.924 1.00 1.00 C ATOM 170 O PRO A 11 7.266 14.912 10.365 1.00 1.00 O ATOM 171 CB PRO A 11 9.698 15.031 8.776 1.00 1.00 C ATOM 172 CG PRO A 11 9.185 16.176 7.918 1.00 1.00 C ATOM 173 CD PRO A 11 8.047 15.644 7.062 1.00 1.00 C ATOM 0 HA PRO A 11 9.117 12.955 8.621 1.00 1.00 H new ATOM 0 HB2 PRO A 11 9.840 15.350 9.809 1.00 1.00 H new ATOM 0 HB3 PRO A 11 10.664 14.676 8.416 1.00 1.00 H new ATOM 0 HG2 PRO A 11 8.839 16.998 8.545 1.00 1.00 H new ATOM 0 HG3 PRO A 11 9.984 16.569 7.289 1.00 1.00 H new ATOM 0 HD2 PRO A 11 7.137 16.227 7.206 1.00 1.00 H new ATOM 0 HD3 PRO A 11 8.293 15.694 6.001 1.00 1.00 H new ATOM 181 N ASP A 12 7.560 12.640 10.452 1.00 1.00 N ATOM 182 CA ASP A 12 6.734 12.432 11.629 1.00 1.00 C ATOM 183 C ASP A 12 7.360 13.159 12.821 1.00 1.00 C ATOM 184 O ASP A 12 6.615 13.550 13.731 1.00 1.00 O ATOM 185 CB ASP A 12 6.638 10.946 11.979 1.00 1.00 C ATOM 186 CG ASP A 12 7.819 10.391 12.778 1.00 1.00 C ATOM 187 OD1 ASP A 12 7.844 10.464 14.016 1.00 1.00 O ATOM 188 OD2 ASP A 12 8.756 9.860 12.068 1.00 1.00 O ATOM 0 H ASP A 12 7.970 11.787 10.073 1.00 1.00 H new ATOM 0 HA ASP A 12 5.737 12.817 11.414 1.00 1.00 H new ATOM 0 HB2 ASP A 12 5.724 10.781 12.549 1.00 1.00 H new ATOM 0 HB3 ASP A 12 6.544 10.376 11.055 1.00 1.00 H new ATOM 193 N PHE A 13 8.695 13.323 12.793 1.00 1.00 N ATOM 194 CA PHE A 13 9.410 13.996 13.864 1.00 1.00 C ATOM 195 C PHE A 13 8.839 15.403 14.047 1.00 1.00 C ATOM 196 O PHE A 13 8.941 15.941 15.159 1.00 1.00 O ATOM 197 CB PHE A 13 10.910 14.056 13.512 1.00 1.00 C ATOM 198 CG PHE A 13 11.271 15.080 12.445 1.00 1.00 C ATOM 199 CD1 PHE A 13 11.107 16.463 12.696 1.00 1.00 C ATOM 200 CD2 PHE A 13 11.768 14.653 11.192 1.00 1.00 C ATOM 201 CE1 PHE A 13 11.439 17.409 11.703 1.00 1.00 C ATOM 202 CE2 PHE A 13 12.100 15.599 10.200 1.00 1.00 C ATOM 203 CZ PHE A 13 11.936 16.977 10.455 1.00 1.00 C ATOM 0 H PHE A 13 9.291 12.994 12.034 1.00 1.00 H new ATOM 0 HA PHE A 13 9.291 13.448 14.799 1.00 1.00 H new ATOM 0 HB2 PHE A 13 11.473 14.281 14.418 1.00 1.00 H new ATOM 0 HB3 PHE A 13 11.230 13.070 13.174 1.00 1.00 H new ATOM 0 HD1 PHE A 13 10.727 16.795 13.651 1.00 1.00 H new ATOM 0 HD2 PHE A 13 11.894 13.599 10.994 1.00 1.00 H new ATOM 0 HE1 PHE A 13 11.313 18.464 11.898 1.00 1.00 H new ATOM 0 HE2 PHE A 13 12.480 15.268 9.245 1.00 1.00 H new ATOM 0 HZ PHE A 13 12.191 17.701 9.695 1.00 1.00 H new ATOM 213 N CYS A 14 8.258 15.962 12.970 1.00 1.00 N ATOM 214 CA CYS A 14 7.677 17.293 13.013 1.00 1.00 C ATOM 215 C CYS A 14 6.445 17.278 13.920 1.00 1.00 C ATOM 216 O CYS A 14 6.188 18.294 14.583 1.00 1.00 O ATOM 217 CB CYS A 14 7.344 17.795 11.606 1.00 1.00 C ATOM 218 SG CYS A 14 8.754 18.483 10.689 1.00 1.00 S ATOM 0 H CYS A 14 8.184 15.502 12.063 1.00 1.00 H new ATOM 0 HA CYS A 14 8.404 17.991 13.429 1.00 1.00 H new ATOM 0 HB2 CYS A 14 6.923 16.970 11.031 1.00 1.00 H new ATOM 0 HB3 CYS A 14 6.570 18.559 11.682 1.00 1.00 H new ATOM 0 HG CYS A 14 8.889 19.743 10.981 1.00 1.00 H new ATOM 224 N PHE A 15 5.719 16.146 13.931 1.00 1.00 N ATOM 225 CA PHE A 15 4.527 16.004 14.750 1.00 1.00 C ATOM 226 C PHE A 15 4.930 15.570 16.160 1.00 1.00 C ATOM 227 O PHE A 15 4.040 15.207 16.943 1.00 1.00 O ATOM 228 CB PHE A 15 3.589 14.965 14.105 1.00 1.00 C ATOM 229 CG PHE A 15 3.330 15.178 12.619 1.00 1.00 C ATOM 230 CD1 PHE A 15 2.930 16.447 12.139 1.00 1.00 C ATOM 231 CD2 PHE A 15 3.481 14.104 11.712 1.00 1.00 C ATOM 232 CE1 PHE A 15 2.686 16.640 10.762 1.00 1.00 C ATOM 233 CE2 PHE A 15 3.238 14.298 10.336 1.00 1.00 C ATOM 234 CZ PHE A 15 2.841 15.566 9.861 1.00 1.00 C ATOM 0 H PHE A 15 5.947 15.321 13.377 1.00 1.00 H new ATOM 0 HA PHE A 15 4.001 16.956 14.817 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.016 13.972 14.247 1.00 1.00 H new ATOM 0 HB3 PHE A 15 2.635 14.980 14.632 1.00 1.00 H new ATOM 0 HD1 PHE A 15 2.811 17.270 12.828 1.00 1.00 H new ATOM 0 HD2 PHE A 15 3.783 13.132 12.074 1.00 1.00 H new ATOM 0 HE1 PHE A 15 2.381 17.610 10.398 1.00 1.00 H new ATOM 0 HE2 PHE A 15 3.356 13.476 9.646 1.00 1.00 H new ATOM 0 HZ PHE A 15 2.656 15.714 8.807 1.00 1.00 H new ATOM 244 N LEU A 16 6.242 15.615 16.452 1.00 1.00 N ATOM 245 CA LEU A 16 6.755 15.229 17.755 1.00 1.00 C ATOM 246 C LEU A 16 6.840 16.466 18.652 1.00 1.00 C ATOM 247 O LEU A 16 7.492 17.441 18.251 1.00 1.00 O ATOM 248 CB LEU A 16 8.084 14.484 17.609 1.00 1.00 C ATOM 249 CG LEU A 16 8.142 13.089 18.235 1.00 1.00 C ATOM 250 CD1 LEU A 16 9.140 12.197 17.494 1.00 1.00 C ATOM 251 CD2 LEU A 16 8.450 13.172 19.732 1.00 1.00 C ATOM 0 H LEU A 16 6.959 15.918 15.793 1.00 1.00 H new ATOM 0 HA LEU A 16 6.075 14.529 18.239 1.00 1.00 H new ATOM 0 HB2 LEU A 16 8.313 14.394 16.547 1.00 1.00 H new ATOM 0 HB3 LEU A 16 8.870 15.093 18.054 1.00 1.00 H new ATOM 0 HG LEU A 16 7.160 12.628 18.133 1.00 1.00 H new ATOM 0 HD11 LEU A 16 9.162 11.211 17.959 1.00 1.00 H new ATOM 0 HD12 LEU A 16 8.837 12.100 16.452 1.00 1.00 H new ATOM 0 HD13 LEU A 16 10.133 12.643 17.543 1.00 1.00 H new ATOM 0 HD21 LEU A 16 8.486 12.167 20.152 1.00 1.00 H new ATOM 0 HD22 LEU A 16 9.413 13.661 19.879 1.00 1.00 H new ATOM 0 HD23 LEU A 16 7.671 13.747 20.232 1.00 1.00 H new ATOM 263 N GLU A 17 6.189 16.404 19.827 1.00 1.00 N ATOM 264 CA GLU A 17 6.191 17.511 20.768 1.00 1.00 C ATOM 265 C GLU A 17 7.604 18.089 20.865 1.00 1.00 C ATOM 266 O GLU A 17 8.567 17.318 20.741 1.00 1.00 O ATOM 267 CB GLU A 17 5.680 17.080 22.144 1.00 1.00 C ATOM 268 CG GLU A 17 4.437 16.197 22.015 1.00 1.00 C ATOM 269 CD GLU A 17 4.798 14.717 22.156 1.00 1.00 C ATOM 270 OE1 GLU A 17 5.984 14.377 22.281 1.00 1.00 O ATOM 271 OE2 GLU A 17 3.795 13.906 22.134 1.00 1.00 O ATOM 0 H GLU A 17 5.657 15.591 20.138 1.00 1.00 H new ATOM 0 HA GLU A 17 5.511 18.281 20.404 1.00 1.00 H new ATOM 0 HB2 GLU A 17 6.463 16.537 22.673 1.00 1.00 H new ATOM 0 HB3 GLU A 17 5.444 17.961 22.741 1.00 1.00 H new ATOM 0 HG2 GLU A 17 3.710 16.472 22.780 1.00 1.00 H new ATOM 0 HG3 GLU A 17 3.963 16.369 21.048 1.00 1.00 H new ATOM 278 N GLU A 18 7.699 19.413 21.082 1.00 1.00 N ATOM 279 CA GLU A 18 8.983 20.085 21.194 1.00 1.00 C ATOM 280 C GLU A 18 9.880 19.303 22.156 1.00 1.00 C ATOM 281 O GLU A 18 9.365 18.794 23.161 1.00 1.00 O ATOM 282 CB GLU A 18 8.820 21.536 21.653 1.00 1.00 C ATOM 283 CG GLU A 18 8.817 21.631 23.180 1.00 1.00 C ATOM 284 CD GLU A 18 7.927 22.781 23.656 1.00 1.00 C ATOM 285 OE1 GLU A 18 6.684 22.680 23.330 1.00 1.00 O ATOM 286 OE2 GLU A 18 8.419 23.717 24.303 1.00 1.00 O ATOM 0 H GLU A 18 6.893 20.030 21.182 1.00 1.00 H new ATOM 0 HA GLU A 18 9.450 20.114 20.209 1.00 1.00 H new ATOM 0 HB2 GLU A 18 9.631 22.142 21.249 1.00 1.00 H new ATOM 0 HB3 GLU A 18 7.890 21.944 21.258 1.00 1.00 H new ATOM 0 HG2 GLU A 18 8.463 20.692 23.606 1.00 1.00 H new ATOM 0 HG3 GLU A 18 9.835 21.781 23.541 1.00 1.00 H new ATOM 293 N ASP A 19 11.184 19.226 21.834 1.00 1.00 N ATOM 294 CA ASP A 19 12.141 18.513 22.663 1.00 1.00 C ATOM 295 C ASP A 19 13.407 19.358 22.815 1.00 1.00 C ATOM 296 O ASP A 19 14.292 19.256 21.953 1.00 1.00 O ATOM 297 CB ASP A 19 12.536 17.179 22.026 1.00 1.00 C ATOM 298 CG ASP A 19 13.019 16.111 23.009 1.00 1.00 C ATOM 299 OD1 ASP A 19 12.832 16.234 24.229 1.00 1.00 O ATOM 300 OD2 ASP A 19 13.620 15.105 22.469 1.00 1.00 O ATOM 0 H ASP A 19 11.588 19.654 21.001 1.00 1.00 H new ATOM 0 HA ASP A 19 11.675 18.326 23.631 1.00 1.00 H new ATOM 0 HB2 ASP A 19 11.679 16.787 21.479 1.00 1.00 H new ATOM 0 HB3 ASP A 19 13.324 17.362 21.295 1.00 1.00 H new ATOM 305 N PRO A 20 13.468 20.163 23.891 1.00 1.00 N ATOM 306 CA PRO A 20 14.598 21.029 24.182 1.00 1.00 C ATOM 307 C PRO A 20 15.792 20.219 24.691 1.00 1.00 C ATOM 308 O PRO A 20 16.850 20.817 24.934 1.00 1.00 O ATOM 309 CB PRO A 20 14.077 22.025 25.205 1.00 1.00 C ATOM 310 CG PRO A 20 12.822 21.401 25.793 1.00 1.00 C ATOM 311 CD PRO A 20 12.414 20.243 24.898 1.00 1.00 C ATOM 0 HA PRO A 20 14.971 21.545 23.298 1.00 1.00 H new ATOM 0 HB2 PRO A 20 14.820 22.213 25.980 1.00 1.00 H new ATOM 0 HB3 PRO A 20 13.854 22.984 24.738 1.00 1.00 H new ATOM 0 HG2 PRO A 20 13.009 21.051 26.808 1.00 1.00 H new ATOM 0 HG3 PRO A 20 12.021 22.138 25.853 1.00 1.00 H new ATOM 0 HD2 PRO A 20 12.335 19.314 25.463 1.00 1.00 H new ATOM 0 HD3 PRO A 20 11.441 20.421 24.440 1.00 1.00 H new ATOM 319 N GLY A 21 15.602 18.896 24.841 1.00 1.00 N ATOM 320 CA GLY A 21 16.656 18.016 25.316 1.00 1.00 C ATOM 321 C GLY A 21 16.607 17.946 26.844 1.00 1.00 C ATOM 322 O GLY A 21 15.668 17.336 27.376 1.00 1.00 O ATOM 0 H GLY A 21 14.722 18.423 24.636 1.00 1.00 H new ATOM 0 HA2 GLY A 21 16.533 17.020 24.891 1.00 1.00 H new ATOM 0 HA3 GLY A 21 17.628 18.384 24.988 1.00 1.00 H new ATOM 326 N ILE A 22 17.601 18.562 27.507 1.00 1.00 N ATOM 327 CA ILE A 22 17.669 18.570 28.958 1.00 1.00 C ATOM 328 C ILE A 22 18.380 19.842 29.425 1.00 1.00 C ATOM 329 O ILE A 22 17.709 20.876 29.558 1.00 1.00 O ATOM 330 CB ILE A 22 18.316 17.281 29.471 1.00 1.00 C ATOM 331 CG1 ILE A 22 17.497 16.056 29.062 1.00 1.00 C ATOM 332 CG2 ILE A 22 18.538 17.344 30.984 1.00 1.00 C ATOM 333 CD1 ILE A 22 17.795 14.866 29.977 1.00 1.00 C ATOM 0 H ILE A 22 18.365 19.059 27.049 1.00 1.00 H new ATOM 0 HA ILE A 22 16.667 18.589 29.386 1.00 1.00 H new ATOM 0 HB ILE A 22 19.297 17.182 29.006 1.00 1.00 H new ATOM 0 HG12 ILE A 22 16.434 16.294 29.104 1.00 1.00 H new ATOM 0 HG13 ILE A 22 17.724 15.791 28.029 1.00 1.00 H new ATOM 0 HG21 ILE A 22 18.999 16.416 31.323 1.00 1.00 H new ATOM 0 HG22 ILE A 22 19.193 18.182 31.221 1.00 1.00 H new ATOM 0 HG23 ILE A 22 17.580 17.479 31.487 1.00 1.00 H new ATOM 0 HD11 ILE A 22 17.199 14.008 29.664 1.00 1.00 H new ATOM 0 HD12 ILE A 22 18.854 14.615 29.914 1.00 1.00 H new ATOM 0 HD13 ILE A 22 17.544 15.126 31.005 1.00 1.00 H new ATOM 345 N CYS A 23 19.700 19.743 29.659 1.00 1.00 N ATOM 346 CA CYS A 23 20.490 20.878 30.106 1.00 1.00 C ATOM 347 C CYS A 23 19.615 22.133 30.108 1.00 1.00 C ATOM 348 O CYS A 23 18.596 22.140 30.813 1.00 1.00 O ATOM 349 CB CYS A 23 21.740 21.055 29.241 1.00 1.00 C ATOM 350 SG CYS A 23 22.804 19.586 29.130 1.00 1.00 S ATOM 0 H CYS A 23 20.233 18.881 29.542 1.00 1.00 H new ATOM 0 HA CYS A 23 20.839 20.697 31.123 1.00 1.00 H new ATOM 0 HB2 CYS A 23 21.431 21.340 28.235 1.00 1.00 H new ATOM 0 HB3 CYS A 23 22.327 21.882 29.640 1.00 1.00 H new ATOM 0 HG CYS A 23 23.828 19.848 28.373 1.00 1.00 H new ATOM 356 N ARG A 24 20.024 23.154 29.333 1.00 1.00 N ATOM 357 CA ARG A 24 19.282 24.400 29.247 1.00 1.00 C ATOM 358 C ARG A 24 19.892 25.277 28.152 1.00 1.00 C ATOM 359 O ARG A 24 19.901 26.506 28.316 1.00 1.00 O ATOM 360 CB ARG A 24 19.306 25.163 30.573 1.00 1.00 C ATOM 361 CG ARG A 24 20.234 24.482 31.581 1.00 1.00 C ATOM 362 CD ARG A 24 20.572 25.424 32.738 1.00 1.00 C ATOM 363 NE ARG A 24 22.026 25.390 33.010 1.00 1.00 N ATOM 364 CZ ARG A 24 22.646 26.183 33.910 1.00 1.00 C ATOM 365 NH1 ARG A 24 21.918 27.062 34.612 1.00 1.00 N ATOM 366 NH2 ARG A 24 23.970 26.092 34.099 1.00 1.00 N ATOM 0 H ARG A 24 20.868 23.129 28.761 1.00 1.00 H new ATOM 0 HA ARG A 24 18.245 24.160 29.012 1.00 1.00 H new ATOM 0 HB2 ARG A 24 19.638 26.187 30.402 1.00 1.00 H new ATOM 0 HB3 ARG A 24 18.297 25.220 30.982 1.00 1.00 H new ATOM 0 HG2 ARG A 24 19.758 23.581 31.968 1.00 1.00 H new ATOM 0 HG3 ARG A 24 21.151 24.169 31.082 1.00 1.00 H new ATOM 0 HD2 ARG A 24 20.263 26.440 32.493 1.00 1.00 H new ATOM 0 HD3 ARG A 24 20.020 25.130 33.631 1.00 1.00 H new ATOM 0 HE ARG A 24 22.595 24.726 32.485 1.00 1.00 H new ATOM 0 HH11 ARG A 24 20.911 27.125 34.463 1.00 1.00 H new ATOM 0 HH12 ARG A 24 22.371 27.668 35.296 1.00 1.00 H new ATOM 0 HH21 ARG A 24 24.517 25.420 33.561 1.00 1.00 H new ATOM 0 HH22 ARG A 24 24.430 26.695 34.781 1.00 1.00 H new ATOM 380 N GLY A 25 20.382 24.640 27.073 1.00 1.00 N ATOM 381 CA GLY A 25 20.988 25.357 25.964 1.00 1.00 C ATOM 382 C GLY A 25 20.166 26.613 25.665 1.00 1.00 C ATOM 383 O GLY A 25 20.699 27.720 25.832 1.00 1.00 O ATOM 0 H GLY A 25 20.364 23.627 26.957 1.00 1.00 H new ATOM 0 HA2 GLY A 25 22.014 25.630 26.210 1.00 1.00 H new ATOM 0 HA3 GLY A 25 21.031 24.718 25.082 1.00 1.00 H new ATOM 387 N TYR A 26 18.905 26.420 25.237 1.00 1.00 N ATOM 388 CA TYR A 26 18.074 27.572 24.932 1.00 1.00 C ATOM 389 C TYR A 26 18.676 28.330 23.747 1.00 1.00 C ATOM 390 O TYR A 26 19.825 28.779 23.866 1.00 1.00 O ATOM 391 CB TYR A 26 17.944 28.466 26.178 1.00 1.00 C ATOM 392 CG TYR A 26 17.323 27.778 27.387 1.00 1.00 C ATOM 393 CD1 TYR A 26 16.813 26.465 27.268 1.00 1.00 C ATOM 394 CD2 TYR A 26 17.257 28.443 28.633 1.00 1.00 C ATOM 395 CE1 TYR A 26 16.240 25.822 28.386 1.00 1.00 C ATOM 396 CE2 TYR A 26 16.684 27.800 29.751 1.00 1.00 C ATOM 397 CZ TYR A 26 16.174 26.489 29.628 1.00 1.00 C ATOM 398 OH TYR A 26 15.617 25.864 30.707 1.00 1.00 O ATOM 0 H TYR A 26 18.463 25.511 25.102 1.00 1.00 H new ATOM 0 HA TYR A 26 17.071 27.249 24.653 1.00 1.00 H new ATOM 0 HB2 TYR A 26 18.934 28.831 26.452 1.00 1.00 H new ATOM 0 HB3 TYR A 26 17.342 29.338 25.923 1.00 1.00 H new ATOM 0 HD1 TYR A 26 16.862 25.952 26.319 1.00 1.00 H new ATOM 0 HD2 TYR A 26 17.646 29.446 28.729 1.00 1.00 H new ATOM 0 HE1 TYR A 26 15.852 24.819 28.291 1.00 1.00 H new ATOM 0 HE2 TYR A 26 16.636 28.311 30.701 1.00 1.00 H new ATOM 0 HH TYR A 26 15.651 26.460 31.484 1.00 1.00 H new ATOM 408 N ILE A 27 17.912 28.448 22.647 1.00 1.00 N ATOM 409 CA ILE A 27 18.378 29.136 21.455 1.00 1.00 C ATOM 410 C ILE A 27 17.177 29.692 20.689 1.00 1.00 C ATOM 411 O ILE A 27 17.288 29.873 19.467 1.00 1.00 O ATOM 412 CB ILE A 27 19.269 28.215 20.618 1.00 1.00 C ATOM 413 CG1 ILE A 27 20.103 27.297 21.514 1.00 1.00 C ATOM 414 CG2 ILE A 27 20.141 29.022 19.655 1.00 1.00 C ATOM 415 CD1 ILE A 27 20.905 26.298 20.679 1.00 1.00 C ATOM 0 H ILE A 27 16.968 28.071 22.570 1.00 1.00 H new ATOM 0 HA ILE A 27 19.004 29.986 21.727 1.00 1.00 H new ATOM 0 HB ILE A 27 18.626 27.577 20.012 1.00 1.00 H new ATOM 0 HG12 ILE A 27 20.781 27.895 22.123 1.00 1.00 H new ATOM 0 HG13 ILE A 27 19.448 26.760 22.200 1.00 1.00 H new ATOM 0 HG21 ILE A 27 20.764 28.343 19.073 1.00 1.00 H new ATOM 0 HG22 ILE A 27 19.504 29.597 18.983 1.00 1.00 H new ATOM 0 HG23 ILE A 27 20.777 29.702 20.222 1.00 1.00 H new ATOM 0 HD11 ILE A 27 21.489 25.657 21.340 1.00 1.00 H new ATOM 0 HD12 ILE A 27 20.222 25.685 20.090 1.00 1.00 H new ATOM 0 HD13 ILE A 27 21.576 26.838 20.011 1.00 1.00 H new ATOM 427 N THR A 28 16.069 29.948 21.408 1.00 1.00 N ATOM 428 CA THR A 28 14.861 30.478 20.800 1.00 1.00 C ATOM 429 C THR A 28 14.640 29.804 19.444 1.00 1.00 C ATOM 430 O THR A 28 14.476 30.523 18.448 1.00 1.00 O ATOM 431 CB THR A 28 14.988 32.000 20.708 1.00 1.00 C ATOM 432 OG1 THR A 28 14.698 32.453 22.028 1.00 1.00 O ATOM 433 CG2 THR A 28 13.888 32.628 19.849 1.00 1.00 C ATOM 0 H THR A 28 15.997 29.792 22.413 1.00 1.00 H new ATOM 0 HA THR A 28 13.980 30.261 21.404 1.00 1.00 H new ATOM 0 HB THR A 28 15.963 32.259 20.296 1.00 1.00 H new ATOM 0 HG1 THR A 28 14.759 33.431 22.059 1.00 1.00 H new ATOM 0 HG21 THR A 28 14.024 33.709 19.817 1.00 1.00 H new ATOM 0 HG22 THR A 28 13.941 32.225 18.838 1.00 1.00 H new ATOM 0 HG23 THR A 28 12.914 32.398 20.280 1.00 1.00 H new ATOM 441 N ARG A 29 14.639 28.459 19.434 1.00 1.00 N ATOM 442 CA ARG A 29 14.440 27.699 18.212 1.00 1.00 C ATOM 443 C ARG A 29 12.940 27.574 17.933 1.00 1.00 C ATOM 444 O ARG A 29 12.148 28.119 18.715 1.00 1.00 O ATOM 445 CB ARG A 29 15.051 26.300 18.312 1.00 1.00 C ATOM 446 CG ARG A 29 16.577 26.372 18.390 1.00 1.00 C ATOM 447 CD ARG A 29 17.160 27.011 17.128 1.00 1.00 C ATOM 448 NE ARG A 29 18.038 26.045 16.431 1.00 1.00 N ATOM 449 CZ ARG A 29 19.337 25.841 16.741 1.00 1.00 C ATOM 450 NH1 ARG A 29 19.884 26.547 17.740 1.00 1.00 N ATOM 451 NH2 ARG A 29 20.066 24.946 16.061 1.00 1.00 N ATOM 0 H ARG A 29 14.775 27.886 20.267 1.00 1.00 H new ATOM 0 HA ARG A 29 14.937 28.229 17.400 1.00 1.00 H new ATOM 0 HB2 ARG A 29 14.662 25.792 19.194 1.00 1.00 H new ATOM 0 HB3 ARG A 29 14.755 25.707 17.446 1.00 1.00 H new ATOM 0 HG2 ARG A 29 16.873 26.950 19.265 1.00 1.00 H new ATOM 0 HG3 ARG A 29 16.986 25.370 18.517 1.00 1.00 H new ATOM 0 HD2 ARG A 29 16.355 27.327 16.465 1.00 1.00 H new ATOM 0 HD3 ARG A 29 17.726 27.905 17.391 1.00 1.00 H new ATOM 0 HE ARG A 29 17.637 25.499 15.669 1.00 1.00 H new ATOM 0 HH11 ARG A 29 19.321 27.226 18.253 1.00 1.00 H new ATOM 0 HH12 ARG A 29 20.863 26.406 17.988 1.00 1.00 H new ATOM 0 HH21 ARG A 29 19.641 24.412 15.303 1.00 1.00 H new ATOM 0 HH22 ARG A 29 21.046 24.798 16.302 1.00 1.00 H new ATOM 465 N TYR A 30 12.587 26.871 16.842 1.00 1.00 N ATOM 466 CA TYR A 30 11.179 26.719 16.519 1.00 1.00 C ATOM 467 C TYR A 30 10.859 25.234 16.336 1.00 1.00 C ATOM 468 O TYR A 30 11.793 24.466 16.064 1.00 1.00 O ATOM 469 CB TYR A 30 10.841 27.538 15.259 1.00 1.00 C ATOM 470 CG TYR A 30 11.095 29.033 15.391 1.00 1.00 C ATOM 471 CD1 TYR A 30 12.414 29.526 15.528 1.00 1.00 C ATOM 472 CD2 TYR A 30 10.009 29.938 15.382 1.00 1.00 C ATOM 473 CE1 TYR A 30 12.644 30.912 15.653 1.00 1.00 C ATOM 474 CE2 TYR A 30 10.239 31.325 15.506 1.00 1.00 C ATOM 475 CZ TYR A 30 11.557 31.813 15.642 1.00 1.00 C ATOM 476 OH TYR A 30 11.775 33.157 15.761 1.00 1.00 O ATOM 0 H TYR A 30 13.237 26.419 16.199 1.00 1.00 H new ATOM 0 HA TYR A 30 10.563 27.100 17.334 1.00 1.00 H new ATOM 0 HB2 TYR A 30 11.428 27.155 14.424 1.00 1.00 H new ATOM 0 HB3 TYR A 30 9.792 27.381 15.010 1.00 1.00 H new ATOM 0 HD1 TYR A 30 13.247 28.839 15.537 1.00 1.00 H new ATOM 0 HD2 TYR A 30 9.000 29.567 15.280 1.00 1.00 H new ATOM 0 HE1 TYR A 30 13.652 31.284 15.757 1.00 1.00 H new ATOM 0 HE2 TYR A 30 9.407 32.013 15.497 1.00 1.00 H new ATOM 0 HH TYR A 30 11.032 33.647 15.350 1.00 1.00 H new ATOM 486 N PHE A 31 9.576 24.863 16.495 1.00 1.00 N ATOM 487 CA PHE A 31 9.152 23.480 16.357 1.00 1.00 C ATOM 488 C PHE A 31 7.711 23.441 15.846 1.00 1.00 C ATOM 489 O PHE A 31 6.996 24.439 16.021 1.00 1.00 O ATOM 490 CB PHE A 31 9.267 22.776 17.723 1.00 1.00 C ATOM 491 CG PHE A 31 8.169 23.133 18.716 1.00 1.00 C ATOM 492 CD1 PHE A 31 8.177 24.392 19.359 1.00 1.00 C ATOM 493 CD2 PHE A 31 7.132 22.213 18.997 1.00 1.00 C ATOM 494 CE1 PHE A 31 7.159 24.728 20.276 1.00 1.00 C ATOM 495 CE2 PHE A 31 6.114 22.549 19.914 1.00 1.00 C ATOM 496 CZ PHE A 31 6.127 23.806 20.554 1.00 1.00 C ATOM 0 H PHE A 31 8.822 25.512 16.720 1.00 1.00 H new ATOM 0 HA PHE A 31 9.789 22.961 15.641 1.00 1.00 H new ATOM 0 HB2 PHE A 31 9.257 21.698 17.563 1.00 1.00 H new ATOM 0 HB3 PHE A 31 10.232 23.024 18.164 1.00 1.00 H new ATOM 0 HD1 PHE A 31 8.965 25.099 19.147 1.00 1.00 H new ATOM 0 HD2 PHE A 31 7.120 21.250 18.508 1.00 1.00 H new ATOM 0 HE1 PHE A 31 7.169 25.691 20.765 1.00 1.00 H new ATOM 0 HE2 PHE A 31 5.324 21.843 20.126 1.00 1.00 H new ATOM 0 HZ PHE A 31 5.348 24.063 21.256 1.00 1.00 H new ATOM 506 N TYR A 32 7.319 22.309 15.234 1.00 1.00 N ATOM 507 CA TYR A 32 5.963 22.210 14.722 1.00 1.00 C ATOM 508 C TYR A 32 5.047 21.659 15.817 1.00 1.00 C ATOM 509 O TYR A 32 5.140 20.457 16.104 1.00 1.00 O ATOM 510 CB TYR A 32 5.945 21.326 13.461 1.00 1.00 C ATOM 511 CG TYR A 32 4.658 21.406 12.652 1.00 1.00 C ATOM 512 CD1 TYR A 32 3.587 20.529 12.939 1.00 1.00 C ATOM 513 CD2 TYR A 32 4.522 22.359 11.616 1.00 1.00 C ATOM 514 CE1 TYR A 32 2.391 20.602 12.194 1.00 1.00 C ATOM 515 CE2 TYR A 32 3.326 22.432 10.872 1.00 1.00 C ATOM 516 CZ TYR A 32 2.259 21.552 11.159 1.00 1.00 C ATOM 517 OH TYR A 32 1.099 21.619 10.440 1.00 1.00 O ATOM 0 H TYR A 32 7.904 21.486 15.091 1.00 1.00 H new ATOM 0 HA TYR A 32 5.595 23.196 14.438 1.00 1.00 H new ATOM 0 HB2 TYR A 32 6.780 21.611 12.821 1.00 1.00 H new ATOM 0 HB3 TYR A 32 6.110 20.290 13.757 1.00 1.00 H new ATOM 0 HD1 TYR A 32 3.685 19.801 13.731 1.00 1.00 H new ATOM 0 HD2 TYR A 32 5.336 23.033 11.394 1.00 1.00 H new ATOM 0 HE1 TYR A 32 1.575 19.930 12.416 1.00 1.00 H new ATOM 0 HE2 TYR A 32 3.226 23.162 10.082 1.00 1.00 H new ATOM 0 HH TYR A 32 0.597 22.418 10.703 1.00 1.00 H new ATOM 527 N ASN A 33 4.206 22.529 16.403 1.00 1.00 N ATOM 528 CA ASN A 33 3.297 22.127 17.463 1.00 1.00 C ATOM 529 C ASN A 33 2.006 21.586 16.844 1.00 1.00 C ATOM 530 O ASN A 33 1.397 22.299 16.033 1.00 1.00 O ATOM 531 CB ASN A 33 2.931 23.314 18.355 1.00 1.00 C ATOM 532 CG ASN A 33 1.975 22.888 19.471 1.00 1.00 C ATOM 533 OD1 ASN A 33 1.773 21.714 19.736 1.00 1.00 O ATOM 534 ND2 ASN A 33 1.400 23.903 20.108 1.00 1.00 N ATOM 0 H ASN A 33 4.145 23.516 16.151 1.00 1.00 H new ATOM 0 HA ASN A 33 3.795 21.365 18.063 1.00 1.00 H new ATOM 0 HB2 ASN A 33 3.836 23.740 18.789 1.00 1.00 H new ATOM 0 HB3 ASN A 33 2.468 24.096 17.753 1.00 1.00 H new ATOM 0 HD21 ASN A 33 0.745 23.722 20.869 1.00 1.00 H new ATOM 0 HD22 ASN A 33 1.613 24.863 19.836 1.00 1.00 H new ATOM 541 N ASN A 34 1.622 20.356 17.230 1.00 1.00 N ATOM 542 CA ASN A 34 0.416 19.729 16.717 1.00 1.00 C ATOM 543 C ASN A 34 -0.809 20.420 17.320 1.00 1.00 C ATOM 544 O ASN A 34 -1.842 20.489 16.638 1.00 1.00 O ATOM 545 CB ASN A 34 0.360 18.249 17.099 1.00 1.00 C ATOM 546 CG ASN A 34 0.730 18.047 18.570 1.00 1.00 C ATOM 547 OD1 ASN A 34 0.203 18.691 19.462 1.00 1.00 O ATOM 548 ND2 ASN A 34 1.662 17.120 18.771 1.00 1.00 N ATOM 0 H ASN A 34 2.139 19.784 17.898 1.00 1.00 H new ATOM 0 HA ASN A 34 0.424 19.821 15.631 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -0.642 17.860 16.916 1.00 1.00 H new ATOM 0 HB3 ASN A 34 1.043 17.681 16.467 1.00 1.00 H new ATOM 0 HD21 ASN A 34 1.977 16.911 19.718 1.00 1.00 H new ATOM 0 HD22 ASN A 34 2.061 16.618 17.978 1.00 1.00 H new ATOM 555 N GLN A 35 -0.673 20.908 18.566 1.00 1.00 N ATOM 556 CA GLN A 35 -1.761 21.585 19.250 1.00 1.00 C ATOM 557 C GLN A 35 -2.122 22.861 18.487 1.00 1.00 C ATOM 558 O GLN A 35 -3.236 23.370 18.683 1.00 1.00 O ATOM 559 CB GLN A 35 -1.401 21.899 20.704 1.00 1.00 C ATOM 560 CG GLN A 35 -2.415 21.277 21.666 1.00 1.00 C ATOM 561 CD GLN A 35 -1.829 20.045 22.359 1.00 1.00 C ATOM 562 OE1 GLN A 35 -2.269 18.924 22.165 1.00 1.00 O ATOM 563 NE2 GLN A 35 -0.814 20.315 23.175 1.00 1.00 N ATOM 0 H GLN A 35 0.187 20.840 19.111 1.00 1.00 H new ATOM 0 HA GLN A 35 -2.626 20.922 19.273 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -0.404 21.519 20.926 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -1.371 22.979 20.850 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -2.711 22.013 22.414 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -3.316 20.997 21.120 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -0.495 21.277 23.292 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -0.354 19.560 23.684 1.00 1.00 H new ATOM 572 N THR A 36 -1.190 23.345 17.647 1.00 1.00 N ATOM 573 CA THR A 36 -1.409 24.549 16.864 1.00 1.00 C ATOM 574 C THR A 36 -1.177 24.239 15.384 1.00 1.00 C ATOM 575 O THR A 36 -1.181 25.180 14.576 1.00 1.00 O ATOM 576 CB THR A 36 -0.500 25.655 17.403 1.00 1.00 C ATOM 577 OG1 THR A 36 -1.152 26.092 18.592 1.00 1.00 O ATOM 578 CG2 THR A 36 -0.490 26.894 16.506 1.00 1.00 C ATOM 0 H THR A 36 -0.279 22.911 17.501 1.00 1.00 H new ATOM 0 HA THR A 36 -2.436 24.902 16.951 1.00 1.00 H new ATOM 0 HB THR A 36 0.516 25.272 17.504 1.00 1.00 H new ATOM 0 HG1 THR A 36 -0.628 26.809 19.008 1.00 1.00 H new ATOM 0 HG21 THR A 36 0.170 27.648 16.934 1.00 1.00 H new ATOM 0 HG22 THR A 36 -0.133 26.621 15.513 1.00 1.00 H new ATOM 0 HG23 THR A 36 -1.500 27.297 16.431 1.00 1.00 H new ATOM 586 N LYS A 37 -0.983 22.947 15.062 1.00 1.00 N ATOM 587 CA LYS A 37 -0.752 22.521 13.692 1.00 1.00 C ATOM 588 C LYS A 37 0.066 23.588 12.962 1.00 1.00 C ATOM 589 O LYS A 37 -0.278 23.914 11.817 1.00 1.00 O ATOM 590 CB LYS A 37 -2.078 22.186 13.005 1.00 1.00 C ATOM 591 CG LYS A 37 -2.805 21.057 13.738 1.00 1.00 C ATOM 592 CD LYS A 37 -4.061 21.578 14.439 1.00 1.00 C ATOM 593 CE LYS A 37 -5.144 21.944 13.422 1.00 1.00 C ATOM 594 NZ LYS A 37 -6.479 21.620 13.951 1.00 1.00 N ATOM 0 H LYS A 37 -0.984 22.187 15.742 1.00 1.00 H new ATOM 0 HA LYS A 37 -0.167 21.601 13.672 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -2.711 23.073 12.976 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -1.893 21.893 11.972 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -3.078 20.275 13.029 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -2.137 20.605 14.471 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -4.441 20.820 15.123 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -3.810 22.452 15.040 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -5.087 23.007 13.188 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -4.974 21.403 12.491 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -7.202 21.875 13.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -6.535 20.601 14.152 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -6.644 22.155 14.827 1.00 1.00 H new ATOM 608 N GLN A 38 1.116 24.101 13.628 1.00 1.00 N ATOM 609 CA GLN A 38 1.973 25.121 13.046 1.00 1.00 C ATOM 610 C GLN A 38 3.339 25.087 13.735 1.00 1.00 C ATOM 611 O GLN A 38 3.630 24.095 14.418 1.00 1.00 O ATOM 612 CB GLN A 38 1.342 26.510 13.147 1.00 1.00 C ATOM 613 CG GLN A 38 1.330 27.208 11.786 1.00 1.00 C ATOM 614 CD GLN A 38 1.187 28.723 11.947 1.00 1.00 C ATOM 615 OE1 GLN A 38 2.155 29.465 11.972 1.00 1.00 O ATOM 616 NE2 GLN A 38 -0.072 29.139 12.054 1.00 1.00 N ATOM 0 H GLN A 38 1.383 23.818 14.571 1.00 1.00 H new ATOM 0 HA GLN A 38 2.100 24.907 11.985 1.00 1.00 H new ATOM 0 HB2 GLN A 38 0.323 26.424 13.524 1.00 1.00 H new ATOM 0 HB3 GLN A 38 1.897 27.114 13.864 1.00 1.00 H new ATOM 0 HG2 GLN A 38 2.251 26.981 11.249 1.00 1.00 H new ATOM 0 HG3 GLN A 38 0.507 26.824 11.184 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -0.836 28.464 12.025 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -0.273 30.133 12.165 1.00 1.00 H new ATOM 625 N CYS A 39 4.136 26.154 13.545 1.00 1.00 N ATOM 626 CA CYS A 39 5.456 26.245 14.144 1.00 1.00 C ATOM 627 C CYS A 39 5.416 27.236 15.309 1.00 1.00 C ATOM 628 O CYS A 39 5.072 28.405 15.077 1.00 1.00 O ATOM 629 CB CYS A 39 6.509 26.631 13.103 1.00 1.00 C ATOM 630 SG CYS A 39 6.980 25.295 11.965 1.00 1.00 S ATOM 0 H CYS A 39 3.877 26.961 12.978 1.00 1.00 H new ATOM 0 HA CYS A 39 5.744 25.268 14.531 1.00 1.00 H new ATOM 0 HB2 CYS A 39 6.132 27.471 12.519 1.00 1.00 H new ATOM 0 HB3 CYS A 39 7.402 26.979 13.622 1.00 1.00 H new ATOM 636 N GLU A 40 5.761 26.759 16.518 1.00 1.00 N ATOM 637 CA GLU A 40 5.764 27.598 17.705 1.00 1.00 C ATOM 638 C GLU A 40 7.203 27.780 18.192 1.00 1.00 C ATOM 639 O GLU A 40 7.990 26.830 18.074 1.00 1.00 O ATOM 640 CB GLU A 40 4.882 27.012 18.809 1.00 1.00 C ATOM 641 CG GLU A 40 3.644 27.881 19.041 1.00 1.00 C ATOM 642 CD GLU A 40 3.748 28.641 20.364 1.00 1.00 C ATOM 643 OE1 GLU A 40 4.576 29.556 20.490 1.00 1.00 O ATOM 644 OE2 GLU A 40 2.930 28.253 21.282 1.00 1.00 O ATOM 0 H GLU A 40 6.040 25.793 16.688 1.00 1.00 H new ATOM 0 HA GLU A 40 5.346 28.571 17.447 1.00 1.00 H new ATOM 0 HB2 GLU A 40 4.576 26.002 18.537 1.00 1.00 H new ATOM 0 HB3 GLU A 40 5.454 26.934 19.733 1.00 1.00 H new ATOM 0 HG2 GLU A 40 3.532 28.588 18.219 1.00 1.00 H new ATOM 0 HG3 GLU A 40 2.752 27.255 19.046 1.00 1.00 H new ATOM 651 N ARG A 41 7.513 28.977 18.720 1.00 1.00 N ATOM 652 CA ARG A 41 8.844 29.278 19.219 1.00 1.00 C ATOM 653 C ARG A 41 9.077 28.519 20.527 1.00 1.00 C ATOM 654 O ARG A 41 8.100 28.280 21.252 1.00 1.00 O ATOM 655 CB ARG A 41 9.028 30.776 19.467 1.00 1.00 C ATOM 656 CG ARG A 41 9.998 31.385 18.451 1.00 1.00 C ATOM 657 CD ARG A 41 9.400 32.636 17.805 1.00 1.00 C ATOM 658 NE ARG A 41 9.045 33.624 18.848 1.00 1.00 N ATOM 659 CZ ARG A 41 9.940 34.413 19.480 1.00 1.00 C ATOM 660 NH1 ARG A 41 11.237 34.311 19.158 1.00 1.00 N ATOM 661 NH2 ARG A 41 9.538 35.284 20.415 1.00 1.00 N ATOM 0 H ARG A 41 6.849 29.747 18.807 1.00 1.00 H new ATOM 0 HA ARG A 41 9.566 28.968 18.463 1.00 1.00 H new ATOM 0 HB2 ARG A 41 8.064 31.280 19.402 1.00 1.00 H new ATOM 0 HB3 ARG A 41 9.405 30.938 20.477 1.00 1.00 H new ATOM 0 HG2 ARG A 41 10.936 31.639 18.945 1.00 1.00 H new ATOM 0 HG3 ARG A 41 10.232 30.650 17.681 1.00 1.00 H new ATOM 0 HD2 ARG A 41 10.115 33.072 17.108 1.00 1.00 H new ATOM 0 HD3 ARG A 41 8.514 32.370 17.228 1.00 1.00 H new ATOM 0 HE ARG A 41 8.062 33.715 19.106 1.00 1.00 H new ATOM 0 HH11 ARG A 41 11.535 33.645 18.445 1.00 1.00 H new ATOM 0 HH12 ARG A 41 11.926 34.900 19.626 1.00 1.00 H new ATOM 0 HH21 ARG A 41 8.549 35.355 20.654 1.00 1.00 H new ATOM 0 HH22 ARG A 41 10.221 35.876 20.888 1.00 1.00 H new ATOM 675 N PHE A 42 10.345 28.162 20.799 1.00 1.00 N ATOM 676 CA PHE A 42 10.699 27.438 22.008 1.00 1.00 C ATOM 677 C PHE A 42 12.223 27.362 22.124 1.00 1.00 C ATOM 678 O PHE A 42 12.902 27.558 21.105 1.00 1.00 O ATOM 679 CB PHE A 42 10.083 26.027 21.953 1.00 1.00 C ATOM 680 CG PHE A 42 10.929 24.993 21.222 1.00 1.00 C ATOM 681 CD1 PHE A 42 11.283 25.197 19.868 1.00 1.00 C ATOM 682 CD2 PHE A 42 11.370 23.827 21.891 1.00 1.00 C ATOM 683 CE1 PHE A 42 12.070 24.243 19.189 1.00 1.00 C ATOM 684 CE2 PHE A 42 12.157 22.873 21.211 1.00 1.00 C ATOM 685 CZ PHE A 42 12.507 23.081 19.860 1.00 1.00 C ATOM 0 H PHE A 42 11.135 28.369 20.189 1.00 1.00 H new ATOM 0 HA PHE A 42 10.309 27.955 22.885 1.00 1.00 H new ATOM 0 HB2 PHE A 42 9.910 25.681 22.972 1.00 1.00 H new ATOM 0 HB3 PHE A 42 9.109 26.089 21.468 1.00 1.00 H new ATOM 0 HD1 PHE A 42 10.950 26.086 19.352 1.00 1.00 H new ATOM 0 HD2 PHE A 42 11.104 23.666 22.925 1.00 1.00 H new ATOM 0 HE1 PHE A 42 12.338 24.402 18.155 1.00 1.00 H new ATOM 0 HE2 PHE A 42 12.491 21.984 21.725 1.00 1.00 H new ATOM 0 HZ PHE A 42 13.109 22.351 19.340 1.00 1.00 H new ATOM 695 N LYS A 43 12.721 27.082 23.341 1.00 1.00 N ATOM 696 CA LYS A 43 14.150 26.982 23.584 1.00 1.00 C ATOM 697 C LYS A 43 14.619 25.561 23.264 1.00 1.00 C ATOM 698 O LYS A 43 13.793 24.639 23.329 1.00 1.00 O ATOM 699 CB LYS A 43 14.484 27.433 25.007 1.00 1.00 C ATOM 700 CG LYS A 43 13.275 27.273 25.931 1.00 1.00 C ATOM 701 CD LYS A 43 12.335 28.475 25.817 1.00 1.00 C ATOM 702 CE LYS A 43 12.186 29.184 27.165 1.00 1.00 C ATOM 703 NZ LYS A 43 11.249 30.314 27.051 1.00 1.00 N ATOM 0 H LYS A 43 12.144 26.922 24.167 1.00 1.00 H new ATOM 0 HA LYS A 43 14.697 27.655 22.924 1.00 1.00 H new ATOM 0 HB2 LYS A 43 15.320 26.848 25.391 1.00 1.00 H new ATOM 0 HB3 LYS A 43 14.803 28.475 24.997 1.00 1.00 H new ATOM 0 HG2 LYS A 43 12.736 26.360 25.676 1.00 1.00 H new ATOM 0 HG3 LYS A 43 13.612 27.167 26.962 1.00 1.00 H new ATOM 0 HD2 LYS A 43 12.721 29.174 25.075 1.00 1.00 H new ATOM 0 HD3 LYS A 43 11.357 28.145 25.466 1.00 1.00 H new ATOM 0 HE2 LYS A 43 11.827 28.480 27.915 1.00 1.00 H new ATOM 0 HE3 LYS A 43 13.158 29.542 27.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 11.159 30.785 27.974 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 11.608 30.993 26.350 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 10.318 29.964 26.749 1.00 1.00 H new ATOM 717 N TYR A 44 15.913 25.415 22.930 1.00 1.00 N ATOM 718 CA TYR A 44 16.420 24.091 22.610 1.00 1.00 C ATOM 719 C TYR A 44 17.558 23.739 23.571 1.00 1.00 C ATOM 720 O TYR A 44 18.721 23.941 23.195 1.00 1.00 O ATOM 721 CB TYR A 44 16.877 24.049 21.140 1.00 1.00 C ATOM 722 CG TYR A 44 17.479 22.720 20.705 1.00 1.00 C ATOM 723 CD1 TYR A 44 17.302 21.567 21.504 1.00 1.00 C ATOM 724 CD2 TYR A 44 18.212 22.627 19.499 1.00 1.00 C ATOM 725 CE1 TYR A 44 17.855 20.333 21.103 1.00 1.00 C ATOM 726 CE2 TYR A 44 18.765 21.393 19.097 1.00 1.00 C ATOM 727 CZ TYR A 44 18.588 20.244 19.899 1.00 1.00 C ATOM 728 OH TYR A 44 19.122 19.048 19.515 1.00 1.00 O ATOM 0 H TYR A 44 16.595 26.171 22.878 1.00 1.00 H new ATOM 0 HA TYR A 44 15.633 23.347 22.731 1.00 1.00 H new ATOM 0 HB2 TYR A 44 16.023 24.274 20.501 1.00 1.00 H new ATOM 0 HB3 TYR A 44 17.612 24.837 20.978 1.00 1.00 H new ATOM 0 HD1 TYR A 44 16.741 21.631 22.425 1.00 1.00 H new ATOM 0 HD2 TYR A 44 18.349 23.504 18.884 1.00 1.00 H new ATOM 0 HE1 TYR A 44 17.718 19.455 21.717 1.00 1.00 H new ATOM 0 HE2 TYR A 44 19.324 21.327 18.175 1.00 1.00 H new ATOM 0 HH TYR A 44 19.594 19.159 18.663 1.00 1.00 H new ATOM 789 N ASN A 50 15.182 16.111 20.189 1.00 1.00 N ATOM 790 CA ASN A 50 14.808 15.303 19.042 1.00 1.00 C ATOM 791 C ASN A 50 15.046 16.104 17.760 1.00 1.00 C ATOM 792 O ASN A 50 15.723 17.140 17.829 1.00 1.00 O ATOM 793 CB ASN A 50 13.327 14.923 19.094 1.00 1.00 C ATOM 794 CG ASN A 50 12.438 16.159 18.939 1.00 1.00 C ATOM 795 OD1 ASN A 50 12.900 17.259 18.682 1.00 1.00 O ATOM 796 ND2 ASN A 50 11.142 15.918 19.109 1.00 1.00 N ATOM 0 HA ASN A 50 15.413 14.396 19.057 1.00 1.00 H new ATOM 0 HB2 ASN A 50 13.103 14.208 18.302 1.00 1.00 H new ATOM 0 HB3 ASN A 50 13.108 14.429 20.041 1.00 1.00 H new ATOM 0 HD21 ASN A 50 10.467 16.678 19.026 1.00 1.00 H new ATOM 0 HD22 ASN A 50 10.823 14.973 19.322 1.00 1.00 H new ATOM 803 N MET A 51 14.493 15.617 16.634 1.00 1.00 N ATOM 804 CA MET A 51 14.645 16.283 15.352 1.00 1.00 C ATOM 805 C MET A 51 13.462 17.228 15.130 1.00 1.00 C ATOM 806 O MET A 51 13.107 17.465 13.966 1.00 1.00 O ATOM 807 CB MET A 51 14.695 15.254 14.221 1.00 1.00 C ATOM 808 CG MET A 51 15.594 14.073 14.594 1.00 1.00 C ATOM 809 SD MET A 51 15.531 12.808 13.292 1.00 1.00 S ATOM 810 CE MET A 51 15.391 13.870 11.825 1.00 1.00 C ATOM 0 H MET A 51 13.938 14.762 16.599 1.00 1.00 H new ATOM 0 HA MET A 51 15.576 16.849 15.354 1.00 1.00 H new ATOM 0 HB2 MET A 51 13.688 14.896 14.006 1.00 1.00 H new ATOM 0 HB3 MET A 51 15.067 15.726 13.311 1.00 1.00 H new ATOM 0 HG2 MET A 51 16.620 14.415 14.730 1.00 1.00 H new ATOM 0 HG3 MET A 51 15.272 13.646 15.543 1.00 1.00 H new ATOM 0 HE1 MET A 51 15.572 13.277 10.928 1.00 1.00 H new ATOM 0 HE2 MET A 51 14.390 14.299 11.781 1.00 1.00 H new ATOM 0 HE3 MET A 51 16.127 14.672 11.885 1.00 1.00 H new ATOM 820 N ASN A 52 12.885 17.740 16.232 1.00 1.00 N ATOM 821 CA ASN A 52 11.754 18.649 16.158 1.00 1.00 C ATOM 822 C ASN A 52 12.192 20.040 16.622 1.00 1.00 C ATOM 823 O ASN A 52 11.404 20.708 17.306 1.00 1.00 O ATOM 824 CB ASN A 52 10.614 18.185 17.066 1.00 1.00 C ATOM 825 CG ASN A 52 9.265 18.697 16.557 1.00 1.00 C ATOM 826 OD1 ASN A 52 8.672 19.563 17.374 1.00 1.00 O flip ATOM 827 ND2 ASN A 52 8.794 18.331 15.493 1.00 1.00 N flip ATOM 0 H ASN A 52 13.193 17.532 17.182 1.00 1.00 H new ATOM 0 HA ASN A 52 11.406 18.671 15.125 1.00 1.00 H new ATOM 0 HB2 ASN A 52 10.600 17.096 17.111 1.00 1.00 H new ATOM 0 HB3 ASN A 52 10.784 18.544 18.081 1.00 1.00 H new ATOM 0 HD21 ASN A 52 9.302 17.663 14.913 1.00 1.00 H new ATOM 0 HD22 ASN A 52 7.892 18.693 15.183 1.00 1.00 H new ATOM 834 N ASN A 53 13.420 20.441 16.247 1.00 1.00 N ATOM 835 CA ASN A 53 13.954 21.739 16.622 1.00 1.00 C ATOM 836 C ASN A 53 14.487 22.447 15.375 1.00 1.00 C ATOM 837 O ASN A 53 15.365 21.882 14.706 1.00 1.00 O ATOM 838 CB ASN A 53 15.110 21.593 17.613 1.00 1.00 C ATOM 839 CG ASN A 53 15.878 22.909 17.758 1.00 1.00 C ATOM 840 OD1 ASN A 53 15.481 23.814 18.473 1.00 1.00 O ATOM 841 ND2 ASN A 53 16.996 22.965 17.040 1.00 1.00 N ATOM 0 H ASN A 53 14.054 19.875 15.683 1.00 1.00 H new ATOM 0 HA ASN A 53 13.151 22.312 17.086 1.00 1.00 H new ATOM 0 HB2 ASN A 53 14.724 21.284 18.584 1.00 1.00 H new ATOM 0 HB3 ASN A 53 15.787 20.808 17.275 1.00 1.00 H new ATOM 0 HD21 ASN A 53 17.579 23.802 17.068 1.00 1.00 H new ATOM 0 HD22 ASN A 53 17.271 22.171 16.462 1.00 1.00 H new ATOM 848 N PHE A 54 13.954 23.648 15.090 1.00 1.00 N ATOM 849 CA PHE A 54 14.373 24.422 13.934 1.00 1.00 C ATOM 850 C PHE A 54 14.969 25.751 14.404 1.00 1.00 C ATOM 851 O PHE A 54 14.721 26.134 15.557 1.00 1.00 O ATOM 852 CB PHE A 54 13.159 24.662 13.016 1.00 1.00 C ATOM 853 CG PHE A 54 12.529 23.395 12.453 1.00 1.00 C ATOM 854 CD1 PHE A 54 13.027 22.827 11.257 1.00 1.00 C ATOM 855 CD2 PHE A 54 11.448 22.775 13.123 1.00 1.00 C ATOM 856 CE1 PHE A 54 12.448 21.651 10.735 1.00 1.00 C ATOM 857 CE2 PHE A 54 10.870 21.599 12.601 1.00 1.00 C ATOM 858 CZ PHE A 54 11.369 21.037 11.407 1.00 1.00 C ATOM 0 H PHE A 54 13.231 24.095 15.653 1.00 1.00 H new ATOM 0 HA PHE A 54 15.133 23.878 13.373 1.00 1.00 H new ATOM 0 HB2 PHE A 54 12.401 25.212 13.574 1.00 1.00 H new ATOM 0 HB3 PHE A 54 13.468 25.298 12.186 1.00 1.00 H new ATOM 0 HD1 PHE A 54 13.853 23.295 10.742 1.00 1.00 H new ATOM 0 HD2 PHE A 54 11.064 23.204 14.037 1.00 1.00 H new ATOM 0 HE1 PHE A 54 12.830 21.221 9.821 1.00 1.00 H new ATOM 0 HE2 PHE A 54 10.045 21.129 13.116 1.00 1.00 H new ATOM 0 HZ PHE A 54 10.926 20.137 11.007 1.00 1.00 H new ATOM 868 N GLU A 55 15.730 26.417 13.518 1.00 1.00 N ATOM 869 CA GLU A 55 16.354 27.689 13.840 1.00 1.00 C ATOM 870 C GLU A 55 15.412 28.828 13.444 1.00 1.00 C ATOM 871 O GLU A 55 15.245 29.761 14.244 1.00 1.00 O ATOM 872 CB GLU A 55 17.713 27.839 13.155 1.00 1.00 C ATOM 873 CG GLU A 55 18.569 26.586 13.356 1.00 1.00 C ATOM 874 CD GLU A 55 19.796 26.608 12.442 1.00 1.00 C ATOM 875 OE1 GLU A 55 20.678 27.503 12.734 1.00 1.00 O ATOM 876 OE2 GLU A 55 19.883 25.803 11.502 1.00 1.00 O ATOM 0 H GLU A 55 15.921 26.085 12.573 1.00 1.00 H new ATOM 0 HA GLU A 55 16.535 27.727 14.914 1.00 1.00 H new ATOM 0 HB2 GLU A 55 17.569 28.019 12.090 1.00 1.00 H new ATOM 0 HB3 GLU A 55 18.233 28.708 13.558 1.00 1.00 H new ATOM 0 HG2 GLU A 55 18.887 26.522 14.397 1.00 1.00 H new ATOM 0 HG3 GLU A 55 17.973 25.697 13.149 1.00 1.00 H new ATOM 883 N THR A 56 14.825 28.732 12.238 1.00 1.00 N ATOM 884 CA THR A 56 13.910 29.747 11.744 1.00 1.00 C ATOM 885 C THR A 56 12.508 29.147 11.618 1.00 1.00 C ATOM 886 O THR A 56 12.405 27.951 11.308 1.00 1.00 O ATOM 887 CB THR A 56 14.456 30.298 10.425 1.00 1.00 C ATOM 888 OG1 THR A 56 15.286 29.251 9.929 1.00 1.00 O ATOM 889 CG2 THR A 56 15.418 31.469 10.633 1.00 1.00 C ATOM 0 H THR A 56 14.976 27.955 11.594 1.00 1.00 H new ATOM 0 HA THR A 56 13.829 30.585 12.437 1.00 1.00 H new ATOM 0 HB THR A 56 13.627 30.618 9.794 1.00 1.00 H new ATOM 0 HG1 THR A 56 15.336 29.308 8.952 1.00 1.00 H new ATOM 0 HG21 THR A 56 15.776 31.822 9.666 1.00 1.00 H new ATOM 0 HG22 THR A 56 14.900 32.279 11.146 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.265 31.141 11.236 1.00 1.00 H new ATOM 897 N LEU A 57 11.475 29.974 11.857 1.00 1.00 N ATOM 898 CA LEU A 57 10.095 29.527 11.771 1.00 1.00 C ATOM 899 C LEU A 57 9.840 28.939 10.382 1.00 1.00 C ATOM 900 O LEU A 57 9.334 27.809 10.303 1.00 1.00 O ATOM 901 CB LEU A 57 9.139 30.662 12.143 1.00 1.00 C ATOM 902 CG LEU A 57 7.655 30.296 12.208 1.00 1.00 C ATOM 903 CD1 LEU A 57 7.284 29.756 13.590 1.00 1.00 C ATOM 904 CD2 LEU A 57 6.780 31.483 11.802 1.00 1.00 C ATOM 0 H LEU A 57 11.582 30.956 12.111 1.00 1.00 H new ATOM 0 HA LEU A 57 9.906 28.733 12.494 1.00 1.00 H new ATOM 0 HB2 LEU A 57 9.438 31.058 13.113 1.00 1.00 H new ATOM 0 HB3 LEU A 57 9.263 31.467 11.418 1.00 1.00 H new ATOM 0 HG LEU A 57 7.468 29.498 11.490 1.00 1.00 H new ATOM 0 HD11 LEU A 57 6.224 29.503 13.609 1.00 1.00 H new ATOM 0 HD12 LEU A 57 7.873 28.864 13.802 1.00 1.00 H new ATOM 0 HD13 LEU A 57 7.490 30.515 14.345 1.00 1.00 H new ATOM 0 HD21 LEU A 57 5.730 31.196 11.857 1.00 1.00 H new ATOM 0 HD22 LEU A 57 6.964 32.318 12.478 1.00 1.00 H new ATOM 0 HD23 LEU A 57 7.022 31.781 10.782 1.00 1.00 H new ATOM 916 N GLU A 58 10.189 29.702 9.331 1.00 1.00 N ATOM 917 CA GLU A 58 9.999 29.260 7.960 1.00 1.00 C ATOM 918 C GLU A 58 10.632 27.878 7.783 1.00 1.00 C ATOM 919 O GLU A 58 9.968 26.993 7.223 1.00 1.00 O ATOM 920 CB GLU A 58 10.580 30.262 6.961 1.00 1.00 C ATOM 921 CG GLU A 58 9.684 30.387 5.727 1.00 1.00 C ATOM 922 CD GLU A 58 10.267 31.387 4.726 1.00 1.00 C ATOM 923 OE1 GLU A 58 11.549 31.340 4.592 1.00 1.00 O ATOM 924 OE2 GLU A 58 9.516 32.163 4.116 1.00 1.00 O ATOM 0 H GLU A 58 10.605 30.629 9.418 1.00 1.00 H new ATOM 0 HA GLU A 58 8.930 29.195 7.758 1.00 1.00 H new ATOM 0 HB2 GLU A 58 10.687 31.236 7.438 1.00 1.00 H new ATOM 0 HB3 GLU A 58 11.578 29.944 6.660 1.00 1.00 H new ATOM 0 HG2 GLU A 58 9.575 29.412 5.252 1.00 1.00 H new ATOM 0 HG3 GLU A 58 8.687 30.708 6.028 1.00 1.00 H new ATOM 931 N GLU A 59 11.882 27.723 8.255 1.00 1.00 N ATOM 932 CA GLU A 59 12.594 26.461 8.148 1.00 1.00 C ATOM 933 C GLU A 59 11.730 25.342 8.734 1.00 1.00 C ATOM 934 O GLU A 59 11.649 24.273 8.112 1.00 1.00 O ATOM 935 CB GLU A 59 13.955 26.524 8.844 1.00 1.00 C ATOM 936 CG GLU A 59 15.066 26.020 7.920 1.00 1.00 C ATOM 937 CD GLU A 59 15.896 27.184 7.374 1.00 1.00 C ATOM 938 OE1 GLU A 59 16.522 27.918 8.153 1.00 1.00 O ATOM 939 OE2 GLU A 59 15.876 27.313 6.091 1.00 1.00 O ATOM 0 H GLU A 59 12.411 28.465 8.713 1.00 1.00 H new ATOM 0 HA GLU A 59 12.785 26.255 7.095 1.00 1.00 H new ATOM 0 HB2 GLU A 59 14.166 27.550 9.147 1.00 1.00 H new ATOM 0 HB3 GLU A 59 13.931 25.922 9.752 1.00 1.00 H new ATOM 0 HG2 GLU A 59 15.712 25.332 8.465 1.00 1.00 H new ATOM 0 HG3 GLU A 59 14.630 25.460 7.093 1.00 1.00 H new ATOM 946 N CYS A 60 11.113 25.605 9.900 1.00 1.00 N ATOM 947 CA CYS A 60 10.265 24.628 10.559 1.00 1.00 C ATOM 948 C CYS A 60 9.027 24.369 9.699 1.00 1.00 C ATOM 949 O CYS A 60 8.473 23.263 9.779 1.00 1.00 O ATOM 950 CB CYS A 60 9.893 25.083 11.972 1.00 1.00 C ATOM 951 SG CYS A 60 8.510 24.177 12.726 1.00 1.00 S ATOM 0 H CYS A 60 11.194 26.492 10.397 1.00 1.00 H new ATOM 0 HA CYS A 60 10.813 23.692 10.668 1.00 1.00 H new ATOM 0 HB2 CYS A 60 10.768 24.981 12.613 1.00 1.00 H new ATOM 0 HB3 CYS A 60 9.641 26.143 11.943 1.00 1.00 H new ATOM 957 N LYS A 61 8.623 25.378 8.906 1.00 1.00 N ATOM 958 CA LYS A 61 7.462 25.260 8.040 1.00 1.00 C ATOM 959 C LYS A 61 7.845 24.476 6.783 1.00 1.00 C ATOM 960 O LYS A 61 7.162 23.490 6.471 1.00 1.00 O ATOM 961 CB LYS A 61 6.870 26.640 7.748 1.00 1.00 C ATOM 962 CG LYS A 61 6.830 27.499 9.013 1.00 1.00 C ATOM 963 CD LYS A 61 5.519 28.284 9.102 1.00 1.00 C ATOM 964 CE LYS A 61 4.721 27.878 10.342 1.00 1.00 C ATOM 965 NZ LYS A 61 4.651 28.995 11.299 1.00 1.00 N ATOM 0 H LYS A 61 9.093 26.282 8.855 1.00 1.00 H new ATOM 0 HA LYS A 61 6.671 24.698 8.537 1.00 1.00 H new ATOM 0 HB2 LYS A 61 7.464 27.140 6.983 1.00 1.00 H new ATOM 0 HB3 LYS A 61 5.862 26.530 7.347 1.00 1.00 H new ATOM 0 HG2 LYS A 61 6.938 26.863 9.892 1.00 1.00 H new ATOM 0 HG3 LYS A 61 7.673 28.190 9.014 1.00 1.00 H new ATOM 0 HD2 LYS A 61 5.732 29.352 9.136 1.00 1.00 H new ATOM 0 HD3 LYS A 61 4.923 28.106 8.207 1.00 1.00 H new ATOM 0 HE2 LYS A 61 3.715 27.577 10.051 1.00 1.00 H new ATOM 0 HE3 LYS A 61 5.188 27.014 10.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 3.789 28.906 11.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 5.485 28.973 11.919 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 4.629 29.896 10.780 1.00 1.00 H new ATOM 979 N ASN A 62 8.914 24.922 6.098 1.00 1.00 N ATOM 980 CA ASN A 62 9.381 24.267 4.888 1.00 1.00 C ATOM 981 C ASN A 62 9.561 22.772 5.159 1.00 1.00 C ATOM 982 O ASN A 62 9.178 21.966 4.298 1.00 1.00 O ATOM 983 CB ASN A 62 10.730 24.832 4.442 1.00 1.00 C ATOM 984 CG ASN A 62 10.842 24.846 2.916 1.00 1.00 C ATOM 985 OD1 ASN A 62 10.546 23.876 2.237 1.00 1.00 O ATOM 986 ND2 ASN A 62 11.283 25.996 2.416 1.00 1.00 N ATOM 0 H ASN A 62 9.464 25.736 6.372 1.00 1.00 H new ATOM 0 HA ASN A 62 8.642 24.438 4.105 1.00 1.00 H new ATOM 0 HB2 ASN A 62 10.850 25.844 4.828 1.00 1.00 H new ATOM 0 HB3 ASN A 62 11.537 24.232 4.864 1.00 1.00 H new ATOM 0 HD21 ASN A 62 11.391 26.106 1.408 1.00 1.00 H new ATOM 0 HD22 ASN A 62 11.513 26.769 3.041 1.00 1.00 H new ATOM 993 N ILE A 63 10.129 22.437 6.331 1.00 1.00 N ATOM 994 CA ILE A 63 10.356 21.052 6.709 1.00 1.00 C ATOM 995 C ILE A 63 9.025 20.413 7.109 1.00 1.00 C ATOM 996 O ILE A 63 8.690 19.354 6.557 1.00 1.00 O ATOM 997 CB ILE A 63 11.432 20.962 7.792 1.00 1.00 C ATOM 998 CG1 ILE A 63 12.774 21.486 7.277 1.00 1.00 C ATOM 999 CG2 ILE A 63 11.544 19.536 8.337 1.00 1.00 C ATOM 1000 CD1 ILE A 63 12.872 21.343 5.757 1.00 1.00 C ATOM 0 H ILE A 63 10.436 23.117 7.027 1.00 1.00 H new ATOM 0 HA ILE A 63 10.741 20.484 5.862 1.00 1.00 H new ATOM 0 HB ILE A 63 11.134 21.602 8.623 1.00 1.00 H new ATOM 0 HG12 ILE A 63 12.890 22.533 7.555 1.00 1.00 H new ATOM 0 HG13 ILE A 63 13.588 20.938 7.751 1.00 1.00 H new ATOM 0 HG21 ILE A 63 12.316 19.500 9.105 1.00 1.00 H new ATOM 0 HG22 ILE A 63 10.589 19.235 8.768 1.00 1.00 H new ATOM 0 HG23 ILE A 63 11.807 18.856 7.526 1.00 1.00 H new ATOM 0 HD11 ILE A 63 13.835 21.723 5.417 1.00 1.00 H new ATOM 0 HD12 ILE A 63 12.780 20.292 5.484 1.00 1.00 H new ATOM 0 HD13 ILE A 63 12.071 21.912 5.286 1.00 1.00 H new ATOM 1012 N CYS A 64 8.305 21.057 8.045 1.00 1.00 N ATOM 1013 CA CYS A 64 7.024 20.554 8.512 1.00 1.00 C ATOM 1014 C CYS A 64 5.923 21.004 7.550 1.00 1.00 C ATOM 1015 O CYS A 64 5.533 20.206 6.685 1.00 1.00 O ATOM 1016 CB CYS A 64 6.746 21.003 9.948 1.00 1.00 C ATOM 1017 SG CYS A 64 8.102 20.698 11.118 1.00 1.00 S ATOM 0 H CYS A 64 8.599 21.928 8.487 1.00 1.00 H new ATOM 0 HA CYS A 64 7.047 19.464 8.526 1.00 1.00 H new ATOM 0 HB2 CYS A 64 6.522 22.070 9.943 1.00 1.00 H new ATOM 0 HB3 CYS A 64 5.853 20.491 10.307 1.00 1.00 H new ATOM 0 HG CYS A 64 8.542 19.484 10.965 1.00 1.00 H new ATOM 1023 N GLU A 65 5.452 22.253 7.716 1.00 1.00 N ATOM 1024 CA GLU A 65 4.406 22.800 6.868 1.00 1.00 C ATOM 1025 C GLU A 65 4.567 22.251 5.449 1.00 1.00 C ATOM 1026 O GLU A 65 3.545 22.041 4.779 1.00 1.00 O ATOM 1027 CB GLU A 65 4.425 24.330 6.869 1.00 1.00 C ATOM 1028 CG GLU A 65 3.537 24.889 7.984 1.00 1.00 C ATOM 1029 CD GLU A 65 2.745 26.103 7.496 1.00 1.00 C ATOM 1030 OE1 GLU A 65 1.947 25.873 6.509 1.00 1.00 O ATOM 1031 OE2 GLU A 65 2.898 27.204 8.046 1.00 1.00 O ATOM 0 H GLU A 65 5.787 22.895 8.434 1.00 1.00 H new ATOM 0 HA GLU A 65 3.438 22.494 7.265 1.00 1.00 H new ATOM 0 HB2 GLU A 65 5.447 24.684 7.001 1.00 1.00 H new ATOM 0 HB3 GLU A 65 4.081 24.702 5.904 1.00 1.00 H new ATOM 0 HG2 GLU A 65 2.850 24.116 8.329 1.00 1.00 H new ATOM 0 HG3 GLU A 65 4.153 25.171 8.838 1.00 1.00 H new ATOM 1038 N ASP A 66 5.825 22.034 5.026 1.00 1.00 N ATOM 1039 CA ASP A 66 6.113 21.515 3.700 1.00 1.00 C ATOM 1040 C ASP A 66 5.564 22.481 2.648 1.00 1.00 C ATOM 1041 O ASP A 66 4.636 23.238 2.969 1.00 1.00 O ATOM 1042 CB ASP A 66 5.447 20.154 3.484 1.00 1.00 C ATOM 1043 CG ASP A 66 3.994 20.214 3.009 1.00 1.00 C ATOM 1044 OD1 ASP A 66 3.824 20.725 1.837 1.00 1.00 O ATOM 1045 OD2 ASP A 66 3.071 19.792 3.721 1.00 1.00 O ATOM 0 H ASP A 66 6.653 22.214 5.594 1.00 1.00 H new ATOM 0 HA ASP A 66 7.194 21.407 3.608 1.00 1.00 H new ATOM 0 HB2 ASP A 66 6.030 19.593 2.753 1.00 1.00 H new ATOM 0 HB3 ASP A 66 5.485 19.595 4.419 1.00 1.00 H new