USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 401 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 29 THR OG1 : rot 111:sc= 1.13 USER MOD Set 1.2: A 30 HIS : no HD1:sc= 0.68 K(o=1.8,f=-1.8) USER MOD Set 2.1: A 25 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 THR OG1 : rot 178:sc= -0.139 USER MOD Single : A 1 ARG N :NH3+ -162:sc= 2.31 (180deg=1.87) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0867 USER MOD Single : A 14 THR OG1 : rot -21:sc= 0.584 USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= -0.157 (180deg=-0.221) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.18 K(o=1.2,f=-6.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.078 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.15) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -98:sc= 0.892 USER MOD Single : A 43 THR OG1 : rot 53:sc= 0.111 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -36:sc= 1.29 USER MOD Single : A 49 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0424) USER MOD Single : A 59 ASN : amide:sc= 0.968 K(o=0.97,f=-9.2!) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc=-0.000238 (180deg=-0.0561) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.867 3.465 -1.573 1.00 0.00 N ATOM 2 CA ARG A 1 12.345 2.764 -0.374 1.00 0.00 C ATOM 3 C ARG A 1 11.705 1.363 -0.343 1.00 0.00 C ATOM 4 O ARG A 1 10.921 1.055 -1.243 1.00 0.00 O ATOM 5 CB ARG A 1 12.011 3.592 0.873 1.00 0.00 C ATOM 6 CG ARG A 1 13.022 3.397 2.012 1.00 0.00 C ATOM 7 CD ARG A 1 12.396 3.885 3.315 1.00 0.00 C ATOM 8 NE ARG A 1 12.431 5.348 3.434 1.00 0.00 N ATOM 9 CZ ARG A 1 13.457 6.050 3.938 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.605 5.450 4.272 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.317 7.366 4.107 1.00 0.00 N ATOM 0 H1 ARG A 1 12.497 4.266 -1.781 1.00 0.00 H new ATOM 0 H2 ARG A 1 11.863 2.809 -2.380 1.00 0.00 H new ATOM 0 H3 ARG A 1 10.902 3.817 -1.408 1.00 0.00 H new ATOM 0 HA ARG A 1 13.428 2.642 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.976 4.647 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.017 3.320 1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.297 2.346 2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.937 3.950 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.363 3.542 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.925 3.441 4.159 1.00 0.00 H new ATOM 0 HE ARG A 1 11.616 5.868 3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.710 4.443 4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.375 5.999 4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.440 7.822 3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.087 7.916 4.489 1.00 0.00 H new ATOM 27 N ILE A 2 12.036 0.512 0.637 1.00 0.00 N ATOM 28 CA ILE A 2 11.449 -0.819 0.754 1.00 0.00 C ATOM 29 C ILE A 2 10.123 -0.650 1.490 1.00 0.00 C ATOM 30 O ILE A 2 10.077 -0.034 2.556 1.00 0.00 O ATOM 31 CB ILE A 2 12.424 -1.804 1.454 1.00 0.00 C ATOM 32 CG1 ILE A 2 12.768 -2.991 0.538 1.00 0.00 C ATOM 33 CG2 ILE A 2 11.886 -2.374 2.775 1.00 0.00 C ATOM 34 CD1 ILE A 2 11.603 -3.972 0.346 1.00 0.00 C ATOM 0 H ILE A 2 12.716 0.730 1.366 1.00 0.00 H new ATOM 0 HA ILE A 2 11.264 -1.264 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 2 13.310 -1.207 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.077 -2.611 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.620 -3.528 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 2 12.622 -3.053 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.695 -1.558 3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.959 -2.916 2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 2 11.915 -4.784 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 2 11.308 -4.380 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.757 -3.449 -0.101 1.00 0.00 H new ATOM 46 N CYS A 3 9.043 -1.182 0.926 1.00 0.00 N ATOM 47 CA CYS A 3 7.721 -1.082 1.516 1.00 0.00 C ATOM 48 C CYS A 3 7.007 -2.414 1.366 1.00 0.00 C ATOM 49 O CYS A 3 7.529 -3.335 0.730 1.00 0.00 O ATOM 50 CB CYS A 3 6.979 0.088 0.877 1.00 0.00 C ATOM 51 SG CYS A 3 7.388 1.647 1.685 1.00 0.00 S ATOM 0 H CYS A 3 9.065 -1.695 0.045 1.00 0.00 H new ATOM 0 HA CYS A 3 7.774 -0.875 2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.233 0.147 -0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.904 -0.084 0.938 1.00 0.00 H new ATOM 56 N TYR A 4 5.824 -2.536 1.976 1.00 0.00 N ATOM 57 CA TYR A 4 5.128 -3.806 1.958 1.00 0.00 C ATOM 58 C TYR A 4 4.804 -4.205 0.533 1.00 0.00 C ATOM 59 O TYR A 4 4.524 -3.387 -0.338 1.00 0.00 O ATOM 60 CB TYR A 4 3.880 -3.782 2.844 1.00 0.00 C ATOM 61 CG TYR A 4 4.082 -4.378 4.224 1.00 0.00 C ATOM 62 CD1 TYR A 4 5.236 -4.074 4.971 1.00 0.00 C ATOM 63 CD2 TYR A 4 3.156 -5.313 4.724 1.00 0.00 C ATOM 64 CE1 TYR A 4 5.495 -4.754 6.173 1.00 0.00 C ATOM 65 CE2 TYR A 4 3.396 -5.960 5.947 1.00 0.00 C ATOM 66 CZ TYR A 4 4.564 -5.678 6.673 1.00 0.00 C ATOM 67 OH TYR A 4 4.799 -6.295 7.865 1.00 0.00 O ATOM 0 H TYR A 4 5.346 -1.785 2.474 1.00 0.00 H new ATOM 0 HA TYR A 4 5.789 -4.564 2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.545 -2.750 2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.081 -4.325 2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.922 -3.318 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 4 2.258 -5.533 4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 4 6.411 -4.566 6.713 1.00 0.00 H new ATOM 0 HE2 TYR A 4 2.682 -6.675 6.329 1.00 0.00 H new ATOM 0 HH TYR A 4 4.059 -6.904 8.070 1.00 0.00 H new ATOM 77 N SER A 5 4.916 -5.511 0.359 1.00 0.00 N ATOM 78 CA SER A 5 4.876 -6.261 -0.851 1.00 0.00 C ATOM 79 C SER A 5 3.825 -5.916 -1.889 1.00 0.00 C ATOM 80 O SER A 5 2.664 -5.672 -1.565 1.00 0.00 O ATOM 81 CB SER A 5 4.666 -7.704 -0.406 1.00 0.00 C ATOM 82 OG SER A 5 5.477 -8.003 0.720 1.00 0.00 O ATOM 0 H SER A 5 5.052 -6.125 1.162 1.00 0.00 H new ATOM 0 HA SER A 5 5.803 -6.039 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.617 -7.865 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.907 -8.382 -1.225 1.00 0.00 H new ATOM 0 HG SER A 5 5.328 -8.932 0.993 1.00 0.00 H new ATOM 215 N THR A 14 8.371 -8.246 -1.264 1.00 0.00 N ATOM 216 CA THR A 14 8.435 -7.009 -0.484 1.00 0.00 C ATOM 217 C THR A 14 8.948 -5.959 -1.452 1.00 0.00 C ATOM 218 O THR A 14 9.972 -6.160 -2.110 1.00 0.00 O ATOM 219 CB THR A 14 9.413 -7.209 0.676 1.00 0.00 C ATOM 220 OG1 THR A 14 10.521 -7.950 0.205 1.00 0.00 O ATOM 221 CG2 THR A 14 8.741 -7.971 1.822 1.00 0.00 C ATOM 0 HA THR A 14 7.475 -6.717 -0.059 1.00 0.00 H new ATOM 0 HB THR A 14 9.734 -6.237 1.050 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.269 -8.433 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.452 -8.103 2.637 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.880 -7.406 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.411 -8.947 1.466 1.00 0.00 H new ATOM 229 N LYS A 15 8.205 -4.859 -1.566 1.00 0.00 N ATOM 230 CA LYS A 15 8.395 -3.993 -2.712 1.00 0.00 C ATOM 231 C LYS A 15 9.514 -2.970 -2.512 1.00 0.00 C ATOM 232 O LYS A 15 9.377 -1.984 -1.788 1.00 0.00 O ATOM 233 CB LYS A 15 7.030 -3.445 -3.158 1.00 0.00 C ATOM 234 CG LYS A 15 6.549 -2.113 -2.575 1.00 0.00 C ATOM 235 CD LYS A 15 5.119 -1.802 -3.046 1.00 0.00 C ATOM 236 CE LYS A 15 4.996 -1.705 -4.575 1.00 0.00 C ATOM 237 NZ LYS A 15 3.616 -1.407 -4.985 1.00 0.00 N ATOM 0 H LYS A 15 7.492 -4.559 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 15 8.779 -4.565 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.053 -3.342 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.278 -4.199 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.578 -2.155 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.221 -1.312 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.446 -2.578 -2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.792 -0.862 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.663 -0.927 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.317 -2.643 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.545 -1.449 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.971 -2.106 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.355 -0.455 -4.658 1.00 0.00 H new ATOM 251 N THR A 16 10.645 -3.239 -3.171 1.00 0.00 N ATOM 252 CA THR A 16 11.806 -2.367 -3.203 1.00 0.00 C ATOM 253 C THR A 16 11.508 -1.280 -4.231 1.00 0.00 C ATOM 254 O THR A 16 11.896 -1.382 -5.392 1.00 0.00 O ATOM 255 CB THR A 16 13.061 -3.180 -3.550 1.00 0.00 C ATOM 256 OG1 THR A 16 13.189 -4.258 -2.645 1.00 0.00 O ATOM 257 CG2 THR A 16 14.316 -2.310 -3.439 1.00 0.00 C ATOM 0 H THR A 16 10.774 -4.095 -3.710 1.00 0.00 H new ATOM 0 HA THR A 16 12.001 -1.906 -2.235 1.00 0.00 H new ATOM 0 HB THR A 16 12.960 -3.545 -4.572 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.989 -4.778 -2.867 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.194 -2.905 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.238 -1.470 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.410 -1.935 -2.420 1.00 0.00 H new ATOM 265 N CYS A 17 10.769 -0.260 -3.803 1.00 0.00 N ATOM 266 CA CYS A 17 10.363 0.842 -4.661 1.00 0.00 C ATOM 267 C CYS A 17 11.380 1.973 -4.565 1.00 0.00 C ATOM 268 O CYS A 17 12.327 1.888 -3.781 1.00 0.00 O ATOM 269 CB CYS A 17 8.994 1.331 -4.223 1.00 0.00 C ATOM 270 SG CYS A 17 8.007 2.069 -5.528 1.00 0.00 S ATOM 0 H CYS A 17 10.434 -0.177 -2.843 1.00 0.00 H new ATOM 0 HA CYS A 17 10.314 0.505 -5.696 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.442 0.492 -3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.123 2.063 -3.426 1.00 0.00 H new ATOM 275 N VAL A 18 11.160 3.076 -5.280 1.00 0.00 N ATOM 276 CA VAL A 18 12.023 4.237 -5.216 1.00 0.00 C ATOM 277 C VAL A 18 11.443 5.234 -4.207 1.00 0.00 C ATOM 278 O VAL A 18 12.141 5.595 -3.258 1.00 0.00 O ATOM 279 CB VAL A 18 12.247 4.813 -6.624 1.00 0.00 C ATOM 280 CG1 VAL A 18 13.089 3.838 -7.457 1.00 0.00 C ATOM 281 CG2 VAL A 18 10.997 5.196 -7.423 1.00 0.00 C ATOM 0 H VAL A 18 10.373 3.182 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 18 13.016 3.969 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 18 12.759 5.757 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.245 4.251 -8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.054 3.685 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.568 2.884 -7.537 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.293 5.588 -8.396 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.370 4.315 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.437 5.957 -6.880 1.00 0.00 H new ATOM 291 N GLU A 19 10.157 5.592 -4.334 1.00 0.00 N ATOM 292 CA GLU A 19 9.502 6.575 -3.473 1.00 0.00 C ATOM 293 C GLU A 19 9.698 6.284 -1.984 1.00 0.00 C ATOM 294 O GLU A 19 9.760 5.129 -1.554 1.00 0.00 O ATOM 295 CB GLU A 19 7.984 6.653 -3.720 1.00 0.00 C ATOM 296 CG GLU A 19 7.599 7.127 -5.129 1.00 0.00 C ATOM 297 CD GLU A 19 7.336 5.998 -6.120 1.00 0.00 C ATOM 298 OE1 GLU A 19 8.246 5.157 -6.275 1.00 0.00 O ATOM 299 OE2 GLU A 19 6.234 5.997 -6.708 1.00 0.00 O ATOM 0 H GLU A 19 9.540 5.201 -5.046 1.00 0.00 H new ATOM 0 HA GLU A 19 9.979 7.520 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.548 5.669 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.542 7.329 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.707 7.749 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.398 7.758 -5.518 1.00 0.00 H new ATOM 306 N ASN A 20 9.774 7.367 -1.209 1.00 0.00 N ATOM 307 CA ASN A 20 9.867 7.327 0.242 1.00 0.00 C ATOM 308 C ASN A 20 8.484 7.087 0.842 1.00 0.00 C ATOM 309 O ASN A 20 8.369 6.487 1.910 1.00 0.00 O ATOM 310 CB ASN A 20 10.440 8.652 0.755 1.00 0.00 C ATOM 311 CG ASN A 20 10.437 8.716 2.281 1.00 0.00 C ATOM 312 OD1 ASN A 20 10.813 7.763 2.955 1.00 0.00 O ATOM 313 ND2 ASN A 20 10.026 9.844 2.851 1.00 0.00 N ATOM 0 H ASN A 20 9.772 8.315 -1.586 1.00 0.00 H new ATOM 0 HA ASN A 20 10.527 6.513 0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.459 8.774 0.388 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.855 9.480 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.019 9.929 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.717 10.625 2.272 1.00 0.00 H new ATOM 320 N THR A 21 7.442 7.582 0.167 1.00 0.00 N ATOM 321 CA THR A 21 6.077 7.441 0.609 1.00 0.00 C ATOM 322 C THR A 21 5.539 6.124 0.074 1.00 0.00 C ATOM 323 O THR A 21 5.944 5.671 -0.997 1.00 0.00 O ATOM 324 CB THR A 21 5.248 8.617 0.085 1.00 0.00 C ATOM 325 OG1 THR A 21 5.600 8.874 -1.262 1.00 0.00 O ATOM 326 CG2 THR A 21 5.509 9.881 0.907 1.00 0.00 C ATOM 0 H THR A 21 7.538 8.095 -0.709 1.00 0.00 H new ATOM 0 HA THR A 21 6.021 7.442 1.698 1.00 0.00 H new ATOM 0 HB THR A 21 4.193 8.354 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.070 9.625 -1.601 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.908 10.701 0.514 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.240 9.700 1.948 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.565 10.143 0.846 1.00 0.00 H new ATOM 334 N CYS A 22 4.615 5.521 0.814 1.00 0.00 N ATOM 335 CA CYS A 22 3.976 4.268 0.480 1.00 0.00 C ATOM 336 C CYS A 22 2.590 4.301 1.096 1.00 0.00 C ATOM 337 O CYS A 22 2.218 5.286 1.741 1.00 0.00 O ATOM 338 CB CYS A 22 4.793 3.097 1.031 1.00 0.00 C ATOM 339 SG CYS A 22 6.503 3.036 0.447 1.00 0.00 S ATOM 0 H CYS A 22 4.283 5.912 1.695 1.00 0.00 H new ATOM 0 HA CYS A 22 3.909 4.134 -0.600 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.796 3.153 2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.297 2.165 0.761 1.00 0.00 H new ATOM 344 N TYR A 23 1.820 3.234 0.902 1.00 0.00 N ATOM 345 CA TYR A 23 0.480 3.166 1.435 1.00 0.00 C ATOM 346 C TYR A 23 0.065 1.745 1.734 1.00 0.00 C ATOM 347 O TYR A 23 0.691 0.778 1.284 1.00 0.00 O ATOM 348 CB TYR A 23 -0.508 3.765 0.432 1.00 0.00 C ATOM 349 CG TYR A 23 -0.637 2.992 -0.872 1.00 0.00 C ATOM 350 CD1 TYR A 23 -1.603 1.976 -0.999 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.169 3.316 -1.978 1.00 0.00 C ATOM 352 CE1 TYR A 23 -1.853 1.384 -2.248 1.00 0.00 C ATOM 353 CE2 TYR A 23 -0.107 2.749 -3.236 1.00 0.00 C ATOM 354 CZ TYR A 23 -1.153 1.825 -3.381 1.00 0.00 C ATOM 355 OH TYR A 23 -1.379 1.246 -4.593 1.00 0.00 O ATOM 0 H TYR A 23 2.109 2.408 0.378 1.00 0.00 H new ATOM 0 HA TYR A 23 0.471 3.732 2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.490 3.825 0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.200 4.786 0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.156 1.650 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.998 3.998 -1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.582 0.592 -2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.489 3.026 -4.093 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.812 1.672 -5.270 1.00 0.00 H new ATOM 365 N LYS A 24 -1.034 1.684 2.481 1.00 0.00 N ATOM 366 CA LYS A 24 -1.763 0.486 2.831 1.00 0.00 C ATOM 367 C LYS A 24 -3.219 0.754 2.441 1.00 0.00 C ATOM 368 O LYS A 24 -3.781 1.806 2.762 1.00 0.00 O ATOM 369 CB LYS A 24 -1.559 0.106 4.302 1.00 0.00 C ATOM 370 CG LYS A 24 -1.543 1.304 5.252 1.00 0.00 C ATOM 371 CD LYS A 24 -1.878 0.876 6.686 1.00 0.00 C ATOM 372 CE LYS A 24 -0.876 -0.137 7.250 1.00 0.00 C ATOM 373 NZ LYS A 24 -1.222 -0.515 8.630 1.00 0.00 N ATOM 0 H LYS A 24 -1.458 2.523 2.877 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.399 -0.390 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.354 -0.576 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.619 -0.437 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.561 1.776 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.263 2.050 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.899 1.757 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.878 0.442 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.860 -1.026 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.127 0.288 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.490 -1.149 9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.280 0.340 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.140 -1.003 8.636 1.00 0.00 H new ATOM 387 N MET A 25 -3.784 -0.170 1.666 1.00 0.00 N ATOM 388 CA MET A 25 -5.096 -0.078 1.052 1.00 0.00 C ATOM 389 C MET A 25 -6.065 -1.125 1.599 1.00 0.00 C ATOM 390 O MET A 25 -5.682 -2.260 1.889 1.00 0.00 O ATOM 391 CB MET A 25 -4.871 -0.228 -0.443 1.00 0.00 C ATOM 392 CG MET A 25 -6.134 -0.210 -1.305 1.00 0.00 C ATOM 393 SD MET A 25 -5.810 -0.214 -3.087 1.00 0.00 S ATOM 394 CE MET A 25 -5.618 1.559 -3.377 1.00 0.00 C ATOM 0 H MET A 25 -3.310 -1.045 1.442 1.00 0.00 H new ATOM 0 HA MET A 25 -5.567 0.878 1.281 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.214 0.575 -0.776 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.344 -1.166 -0.621 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.744 -1.078 -1.055 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.720 0.674 -1.055 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.394 1.733 -4.429 1.00 0.00 H new ATOM 0 HE2 MET A 25 -6.542 2.073 -3.112 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.802 1.942 -2.764 1.00 0.00 H new ATOM 404 N PHE A 26 -7.338 -0.746 1.717 1.00 0.00 N ATOM 405 CA PHE A 26 -8.400 -1.597 2.229 1.00 0.00 C ATOM 406 C PHE A 26 -9.657 -1.350 1.409 1.00 0.00 C ATOM 407 O PHE A 26 -9.816 -0.275 0.837 1.00 0.00 O ATOM 408 CB PHE A 26 -8.636 -1.305 3.717 1.00 0.00 C ATOM 409 CG PHE A 26 -8.748 0.159 4.095 1.00 0.00 C ATOM 410 CD1 PHE A 26 -7.587 0.945 4.238 1.00 0.00 C ATOM 411 CD2 PHE A 26 -10.000 0.697 4.435 1.00 0.00 C ATOM 412 CE1 PHE A 26 -7.687 2.272 4.685 1.00 0.00 C ATOM 413 CE2 PHE A 26 -10.083 1.990 4.980 1.00 0.00 C ATOM 414 CZ PHE A 26 -8.926 2.780 5.104 1.00 0.00 C ATOM 0 H PHE A 26 -7.662 0.184 1.452 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.120 -2.647 2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.551 -1.811 4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.819 -1.746 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.620 0.526 4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.898 0.118 4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.810 2.902 4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.037 2.378 5.304 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.991 3.774 5.520 1.00 0.00 H new ATOM 424 N ILE A 27 -10.542 -2.341 1.294 1.00 0.00 N ATOM 425 CA ILE A 27 -11.781 -2.129 0.554 1.00 0.00 C ATOM 426 C ILE A 27 -12.566 -1.029 1.281 1.00 0.00 C ATOM 427 O ILE A 27 -12.625 -1.006 2.510 1.00 0.00 O ATOM 428 CB ILE A 27 -12.563 -3.446 0.403 1.00 0.00 C ATOM 429 CG1 ILE A 27 -11.721 -4.440 -0.420 1.00 0.00 C ATOM 430 CG2 ILE A 27 -13.905 -3.192 -0.303 1.00 0.00 C ATOM 431 CD1 ILE A 27 -12.416 -5.789 -0.627 1.00 0.00 C ATOM 0 H ILE A 27 -10.428 -3.273 1.692 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.584 -1.801 -0.467 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.763 -3.861 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.498 -4.000 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.768 -4.603 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.447 -4.132 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.498 -2.492 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.722 -2.772 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.772 -6.444 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.615 -6.248 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.357 -5.636 -1.156 1.00 0.00 H new ATOM 443 N ARG A 28 -13.159 -0.113 0.513 1.00 0.00 N ATOM 444 CA ARG A 28 -13.849 1.073 1.003 1.00 0.00 C ATOM 445 C ARG A 28 -14.816 0.780 2.147 1.00 0.00 C ATOM 446 O ARG A 28 -14.850 1.516 3.130 1.00 0.00 O ATOM 447 CB ARG A 28 -14.557 1.729 -0.193 1.00 0.00 C ATOM 448 CG ARG A 28 -15.284 3.041 0.135 1.00 0.00 C ATOM 449 CD ARG A 28 -15.485 3.903 -1.120 1.00 0.00 C ATOM 450 NE ARG A 28 -14.197 4.299 -1.717 1.00 0.00 N ATOM 451 CZ ARG A 28 -14.013 5.209 -2.683 1.00 0.00 C ATOM 452 NH1 ARG A 28 -15.042 5.893 -3.190 1.00 0.00 N ATOM 453 NH2 ARG A 28 -12.771 5.420 -3.128 1.00 0.00 N ATOM 0 H ARG A 28 -13.170 -0.183 -0.505 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.117 1.756 1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.820 1.922 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.278 1.022 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -16.252 2.819 0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.711 3.601 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.071 3.349 -1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.057 4.794 -0.862 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.363 3.834 -1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.986 5.726 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.884 6.582 -3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.991 4.894 -2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.602 6.107 -3.863 1.00 0.00 H new ATOM 467 N THR A 29 -15.592 -0.291 2.021 1.00 0.00 N ATOM 468 CA THR A 29 -16.604 -0.695 2.981 1.00 0.00 C ATOM 469 C THR A 29 -16.044 -1.491 4.167 1.00 0.00 C ATOM 470 O THR A 29 -16.815 -1.828 5.065 1.00 0.00 O ATOM 471 CB THR A 29 -17.630 -1.539 2.209 1.00 0.00 C ATOM 472 OG1 THR A 29 -16.950 -2.443 1.353 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.512 -0.642 1.335 1.00 0.00 C ATOM 0 H THR A 29 -15.529 -0.920 1.221 1.00 0.00 H new ATOM 0 HA THR A 29 -17.049 0.197 3.422 1.00 0.00 H new ATOM 0 HB THR A 29 -18.245 -2.075 2.932 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.068 -3.358 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.233 -1.256 0.795 1.00 0.00 H new ATOM 0 HG22 THR A 29 -19.043 0.072 1.965 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.889 -0.103 0.622 1.00 0.00 H new ATOM 481 N HIS A 30 -14.744 -1.813 4.199 1.00 0.00 N ATOM 482 CA HIS A 30 -14.166 -2.673 5.229 1.00 0.00 C ATOM 483 C HIS A 30 -12.873 -2.080 5.789 1.00 0.00 C ATOM 484 O HIS A 30 -11.775 -2.475 5.406 1.00 0.00 O ATOM 485 CB HIS A 30 -13.955 -4.072 4.627 1.00 0.00 C ATOM 486 CG HIS A 30 -15.199 -4.599 3.956 1.00 0.00 C ATOM 487 ND1 HIS A 30 -16.429 -4.644 4.597 1.00 0.00 N ATOM 488 CD2 HIS A 30 -15.460 -4.959 2.656 1.00 0.00 C ATOM 489 CE1 HIS A 30 -17.352 -4.959 3.676 1.00 0.00 C ATOM 490 NE2 HIS A 30 -16.830 -5.115 2.458 1.00 0.00 N ATOM 0 H HIS A 30 -14.068 -1.483 3.510 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.847 -2.750 6.076 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.142 -4.035 3.902 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.649 -4.762 5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.708 -5.101 1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -18.403 -5.074 3.896 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -17.321 -5.305 1.584 1.00 0.00 H new ATOM 498 N ARG A 31 -13.011 -1.144 6.733 1.00 0.00 N ATOM 499 CA ARG A 31 -11.892 -0.497 7.395 1.00 0.00 C ATOM 500 C ARG A 31 -10.870 -1.486 7.954 1.00 0.00 C ATOM 501 O ARG A 31 -9.676 -1.395 7.661 1.00 0.00 O ATOM 502 CB ARG A 31 -12.438 0.400 8.521 1.00 0.00 C ATOM 503 CG ARG A 31 -12.420 1.869 8.091 1.00 0.00 C ATOM 504 CD ARG A 31 -11.104 2.560 8.496 1.00 0.00 C ATOM 505 NE ARG A 31 -9.940 1.701 8.229 1.00 0.00 N ATOM 506 CZ ARG A 31 -8.649 2.044 8.194 1.00 0.00 C ATOM 507 NH1 ARG A 31 -8.258 3.296 8.454 1.00 0.00 N ATOM 508 NH2 ARG A 31 -7.767 1.092 7.878 1.00 0.00 N ATOM 0 H ARG A 31 -13.920 -0.815 7.058 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.362 0.096 6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.456 0.101 8.772 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.837 0.271 9.421 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.549 1.935 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.262 2.392 8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.000 3.496 7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.136 2.813 9.556 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.144 0.718 8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.950 4.009 8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.268 3.538 8.422 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.089 0.146 7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.772 1.311 7.840 1.00 0.00 H new ATOM 522 N GLU A 32 -11.341 -2.413 8.785 1.00 0.00 N ATOM 523 CA GLU A 32 -10.517 -3.389 9.474 1.00 0.00 C ATOM 524 C GLU A 32 -10.152 -4.555 8.553 1.00 0.00 C ATOM 525 O GLU A 32 -10.359 -5.715 8.902 1.00 0.00 O ATOM 526 CB GLU A 32 -11.281 -3.858 10.717 1.00 0.00 C ATOM 527 CG GLU A 32 -11.551 -2.688 11.669 1.00 0.00 C ATOM 528 CD GLU A 32 -12.254 -3.160 12.937 1.00 0.00 C ATOM 529 OE1 GLU A 32 -13.503 -3.208 12.907 1.00 0.00 O ATOM 530 OE2 GLU A 32 -11.530 -3.472 13.907 1.00 0.00 O ATOM 0 H GLU A 32 -12.334 -2.504 9.000 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.572 -2.938 9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.225 -4.313 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.706 -4.627 11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.610 -2.204 11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.165 -1.941 11.166 1.00 0.00 H new ATOM 537 N TYR A 33 -9.602 -4.245 7.378 1.00 0.00 N ATOM 538 CA TYR A 33 -9.187 -5.243 6.405 1.00 0.00 C ATOM 539 C TYR A 33 -8.183 -4.622 5.436 1.00 0.00 C ATOM 540 O TYR A 33 -8.547 -4.200 4.339 1.00 0.00 O ATOM 541 CB TYR A 33 -10.419 -5.797 5.669 1.00 0.00 C ATOM 542 CG TYR A 33 -10.129 -6.758 4.524 1.00 0.00 C ATOM 543 CD1 TYR A 33 -9.011 -7.616 4.553 1.00 0.00 C ATOM 544 CD2 TYR A 33 -10.977 -6.767 3.399 1.00 0.00 C ATOM 545 CE1 TYR A 33 -8.712 -8.425 3.445 1.00 0.00 C ATOM 546 CE2 TYR A 33 -10.698 -7.608 2.308 1.00 0.00 C ATOM 547 CZ TYR A 33 -9.556 -8.424 2.325 1.00 0.00 C ATOM 548 OH TYR A 33 -9.245 -9.192 1.243 1.00 0.00 O ATOM 0 H TYR A 33 -9.433 -3.285 7.077 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.699 -6.077 6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.054 -6.306 6.394 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.993 -4.957 5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.382 -7.651 5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.845 -6.125 3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.831 -9.049 3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.362 -7.626 1.457 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.932 -9.079 0.553 1.00 0.00 H new ATOM 558 N ILE A 34 -6.898 -4.627 5.800 1.00 0.00 N ATOM 559 CA ILE A 34 -5.860 -4.081 4.938 1.00 0.00 C ATOM 560 C ILE A 34 -5.610 -5.150 3.876 1.00 0.00 C ATOM 561 O ILE A 34 -4.823 -6.078 4.062 1.00 0.00 O ATOM 562 CB ILE A 34 -4.597 -3.725 5.739 1.00 0.00 C ATOM 563 CG1 ILE A 34 -4.890 -2.895 7.005 1.00 0.00 C ATOM 564 CG2 ILE A 34 -3.645 -2.954 4.815 1.00 0.00 C ATOM 565 CD1 ILE A 34 -5.719 -1.624 6.780 1.00 0.00 C ATOM 0 H ILE A 34 -6.557 -5.003 6.685 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.163 -3.143 4.473 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.147 -4.655 6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.414 -3.528 7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.941 -2.614 7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.740 -2.690 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.383 -3.578 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.135 -2.045 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.869 -1.114 7.732 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.192 -0.963 6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.687 -1.891 6.356 1.00 0.00 H new ATOM 577 N SER A 35 -6.348 -5.016 2.776 1.00 0.00 N ATOM 578 CA SER A 35 -6.412 -5.958 1.680 1.00 0.00 C ATOM 579 C SER A 35 -5.217 -5.838 0.736 1.00 0.00 C ATOM 580 O SER A 35 -4.767 -6.848 0.200 1.00 0.00 O ATOM 581 CB SER A 35 -7.717 -5.700 0.905 1.00 0.00 C ATOM 582 OG SER A 35 -8.703 -5.047 1.695 1.00 0.00 O ATOM 0 H SER A 35 -6.945 -4.203 2.625 1.00 0.00 H new ATOM 0 HA SER A 35 -6.388 -6.968 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.499 -5.092 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.115 -6.649 0.545 1.00 0.00 H new ATOM 0 HG SER A 35 -9.335 -5.710 2.043 1.00 0.00 H new ATOM 588 N GLU A 36 -4.730 -4.616 0.496 1.00 0.00 N ATOM 589 CA GLU A 36 -3.645 -4.350 -0.440 1.00 0.00 C ATOM 590 C GLU A 36 -2.657 -3.356 0.161 1.00 0.00 C ATOM 591 O GLU A 36 -2.899 -2.774 1.215 1.00 0.00 O ATOM 592 CB GLU A 36 -4.243 -3.802 -1.747 1.00 0.00 C ATOM 593 CG GLU A 36 -4.785 -4.931 -2.629 1.00 0.00 C ATOM 594 CD GLU A 36 -5.585 -4.395 -3.814 1.00 0.00 C ATOM 595 OE1 GLU A 36 -5.153 -3.375 -4.392 1.00 0.00 O ATOM 596 OE2 GLU A 36 -6.639 -5.003 -4.104 1.00 0.00 O ATOM 0 H GLU A 36 -5.086 -3.777 0.954 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.103 -5.272 -0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.045 -3.101 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.481 -3.246 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.955 -5.536 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.418 -5.587 -2.031 1.00 0.00 H new ATOM 603 N ARG A 37 -1.524 -3.175 -0.514 1.00 0.00 N ATOM 604 CA ARG A 37 -0.484 -2.230 -0.147 1.00 0.00 C ATOM 605 C ARG A 37 0.093 -1.651 -1.422 1.00 0.00 C ATOM 606 O ARG A 37 -0.202 -2.135 -2.514 1.00 0.00 O ATOM 607 CB ARG A 37 0.646 -2.899 0.656 1.00 0.00 C ATOM 608 CG ARG A 37 0.353 -2.983 2.153 1.00 0.00 C ATOM 609 CD ARG A 37 -0.236 -4.329 2.578 1.00 0.00 C ATOM 610 NE ARG A 37 -0.322 -4.420 4.042 1.00 0.00 N ATOM 611 CZ ARG A 37 -1.213 -5.163 4.714 1.00 0.00 C ATOM 612 NH1 ARG A 37 -2.067 -5.955 4.053 1.00 0.00 N ATOM 613 NH2 ARG A 37 -1.252 -5.088 6.047 1.00 0.00 N ATOM 0 H ARG A 37 -1.302 -3.702 -1.359 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.923 -1.457 0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.813 -3.904 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.570 -2.341 0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.275 -2.806 2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.341 -2.188 2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.228 -4.451 2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.383 -5.140 2.194 1.00 0.00 H new ATOM 0 HE ARG A 37 0.347 -3.877 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.041 -5.995 3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.743 -6.519 4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.609 -4.471 6.542 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.925 -5.648 6.570 1.00 0.00 H new ATOM 627 N GLY A 38 0.899 -0.603 -1.275 1.00 0.00 N ATOM 628 CA GLY A 38 1.584 -0.054 -2.430 1.00 0.00 C ATOM 629 C GLY A 38 2.593 1.031 -2.083 1.00 0.00 C ATOM 630 O GLY A 38 2.829 1.316 -0.911 1.00 0.00 O ATOM 0 H GLY A 38 1.088 -0.131 -0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.097 -0.860 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.845 0.356 -3.119 1.00 0.00 H new ATOM 634 N CYS A 39 3.183 1.617 -3.129 1.00 0.00 N ATOM 635 CA CYS A 39 4.266 2.596 -3.100 1.00 0.00 C ATOM 636 C CYS A 39 3.807 3.960 -3.637 1.00 0.00 C ATOM 637 O CYS A 39 2.827 4.015 -4.373 1.00 0.00 O ATOM 638 CB CYS A 39 5.388 2.033 -3.975 1.00 0.00 C ATOM 639 SG CYS A 39 6.676 3.206 -4.418 1.00 0.00 S ATOM 0 H CYS A 39 2.894 1.403 -4.083 1.00 0.00 H new ATOM 0 HA CYS A 39 4.600 2.760 -2.076 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.847 1.194 -3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.949 1.637 -4.891 1.00 0.00 H new ATOM 644 N GLY A 40 4.499 5.046 -3.259 1.00 0.00 N ATOM 645 CA GLY A 40 4.257 6.421 -3.676 1.00 0.00 C ATOM 646 C GLY A 40 2.792 6.810 -3.695 1.00 0.00 C ATOM 647 O GLY A 40 2.153 7.003 -4.726 1.00 0.00 O ATOM 0 H GLY A 40 5.288 4.975 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.792 7.093 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.674 6.567 -4.672 1.00 0.00 H new ATOM 651 N CYS A 41 2.339 6.937 -2.467 1.00 0.00 N ATOM 652 CA CYS A 41 1.005 7.298 -1.987 1.00 0.00 C ATOM 653 C CYS A 41 0.116 7.996 -3.040 1.00 0.00 C ATOM 654 O CYS A 41 0.236 9.206 -3.231 1.00 0.00 O ATOM 655 CB CYS A 41 1.155 8.202 -0.761 1.00 0.00 C ATOM 656 SG CYS A 41 -0.405 8.962 -0.250 1.00 0.00 S ATOM 0 H CYS A 41 2.966 6.771 -1.680 1.00 0.00 H new ATOM 0 HA CYS A 41 0.496 6.366 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.557 7.618 0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.880 8.986 -0.980 1.00 0.00 H new ATOM 661 N PRO A 42 -0.772 7.250 -3.722 1.00 0.00 N ATOM 662 CA PRO A 42 -1.739 7.770 -4.670 1.00 0.00 C ATOM 663 C PRO A 42 -3.100 7.919 -3.981 1.00 0.00 C ATOM 664 O PRO A 42 -3.242 7.664 -2.785 1.00 0.00 O ATOM 665 CB PRO A 42 -1.804 6.708 -5.767 1.00 0.00 C ATOM 666 CG PRO A 42 -1.681 5.414 -4.961 1.00 0.00 C ATOM 667 CD PRO A 42 -0.793 5.801 -3.772 1.00 0.00 C ATOM 0 HA PRO A 42 -1.469 8.749 -5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.739 6.754 -6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.996 6.817 -6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.656 5.055 -4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.231 4.617 -5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.187 5.387 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.214 5.403 -3.896 1.00 0.00 H new ATOM 675 N THR A 43 -4.120 8.304 -4.747 1.00 0.00 N ATOM 676 CA THR A 43 -5.478 8.451 -4.251 1.00 0.00 C ATOM 677 C THR A 43 -6.179 7.101 -4.109 1.00 0.00 C ATOM 678 O THR A 43 -5.916 6.157 -4.855 1.00 0.00 O ATOM 679 CB THR A 43 -6.268 9.348 -5.213 1.00 0.00 C ATOM 680 OG1 THR A 43 -5.684 9.313 -6.505 1.00 0.00 O ATOM 681 CG2 THR A 43 -6.255 10.776 -4.675 1.00 0.00 C ATOM 0 H THR A 43 -4.021 8.524 -5.738 1.00 0.00 H new ATOM 0 HA THR A 43 -5.434 8.904 -3.261 1.00 0.00 H new ATOM 0 HB THR A 43 -7.295 8.990 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.589 8.382 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.814 11.424 -5.350 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.716 10.797 -3.688 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.226 11.128 -4.602 1.00 0.00 H new ATOM 689 N ALA A 44 -7.125 7.047 -3.169 1.00 0.00 N ATOM 690 CA ALA A 44 -7.928 5.862 -2.905 1.00 0.00 C ATOM 691 C ALA A 44 -8.992 5.706 -3.993 1.00 0.00 C ATOM 692 O ALA A 44 -10.114 6.192 -3.855 1.00 0.00 O ATOM 693 CB ALA A 44 -8.576 5.970 -1.525 1.00 0.00 C ATOM 0 H ALA A 44 -7.354 7.837 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.288 4.980 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.175 5.080 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.800 6.055 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.215 6.852 -1.491 1.00 0.00 H new ATOM 699 N MET A 45 -8.629 5.057 -5.098 1.00 0.00 N ATOM 700 CA MET A 45 -9.542 4.804 -6.197 1.00 0.00 C ATOM 701 C MET A 45 -10.703 3.917 -5.727 1.00 0.00 C ATOM 702 O MET A 45 -10.571 3.139 -4.785 1.00 0.00 O ATOM 703 CB MET A 45 -8.770 4.128 -7.335 1.00 0.00 C ATOM 704 CG MET A 45 -7.681 5.042 -7.910 1.00 0.00 C ATOM 705 SD MET A 45 -6.773 4.332 -9.306 1.00 0.00 S ATOM 706 CE MET A 45 -5.560 5.643 -9.575 1.00 0.00 C ATOM 0 H MET A 45 -7.689 4.693 -5.251 1.00 0.00 H new ATOM 0 HA MET A 45 -9.961 5.745 -6.554 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.315 3.208 -6.968 1.00 0.00 H new ATOM 0 HB3 MET A 45 -9.464 3.847 -8.127 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.140 5.978 -8.228 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.973 5.287 -7.118 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.910 5.372 -10.407 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.076 6.575 -9.807 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.961 5.775 -8.674 1.00 0.00 H new ATOM 716 N TRP A 46 -11.861 4.032 -6.377 1.00 0.00 N ATOM 717 CA TRP A 46 -13.016 3.206 -6.052 1.00 0.00 C ATOM 718 C TRP A 46 -12.686 1.744 -6.414 1.00 0.00 C ATOM 719 O TRP A 46 -12.036 1.533 -7.438 1.00 0.00 O ATOM 720 CB TRP A 46 -14.212 3.703 -6.876 1.00 0.00 C ATOM 721 CG TRP A 46 -15.553 3.119 -6.562 1.00 0.00 C ATOM 722 CD1 TRP A 46 -16.221 3.182 -5.389 1.00 0.00 C ATOM 723 CD2 TRP A 46 -16.432 2.418 -7.476 1.00 0.00 C ATOM 724 NE1 TRP A 46 -17.416 2.495 -5.493 1.00 0.00 N ATOM 725 CE2 TRP A 46 -17.600 2.009 -6.774 1.00 0.00 C ATOM 726 CE3 TRP A 46 -16.352 2.112 -8.844 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -18.629 1.289 -7.399 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -17.374 1.388 -9.485 1.00 0.00 C ATOM 729 CH2 TRP A 46 -18.507 0.969 -8.763 1.00 0.00 C ATOM 0 H TRP A 46 -12.021 4.695 -7.136 1.00 0.00 H new ATOM 0 HA TRP A 46 -13.259 3.267 -4.991 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -14.279 4.784 -6.755 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -13.999 3.512 -7.928 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -15.873 3.693 -4.503 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -18.075 2.364 -4.726 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -15.493 2.437 -9.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -19.502 0.985 -6.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -17.289 1.153 -10.536 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -19.283 0.402 -9.256 1.00 0.00 H new ATOM 740 N PRO A 47 -13.124 0.722 -5.656 1.00 0.00 N ATOM 741 CA PRO A 47 -13.905 0.763 -4.428 1.00 0.00 C ATOM 742 C PRO A 47 -13.011 0.582 -3.195 1.00 0.00 C ATOM 743 O PRO A 47 -13.308 -0.242 -2.329 1.00 0.00 O ATOM 744 CB PRO A 47 -14.890 -0.396 -4.595 1.00 0.00 C ATOM 745 CG PRO A 47 -14.007 -1.464 -5.243 1.00 0.00 C ATOM 746 CD PRO A 47 -13.083 -0.647 -6.152 1.00 0.00 C ATOM 0 HA PRO A 47 -14.407 1.717 -4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.298 -0.727 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.736 -0.126 -5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.445 -2.028 -4.499 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -14.596 -2.184 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.066 -1.039 -6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.417 -0.695 -7.189 1.00 0.00 H new ATOM 754 N TYR A 48 -11.922 1.348 -3.087 1.00 0.00 N ATOM 755 CA TYR A 48 -11.004 1.249 -1.966 1.00 0.00 C ATOM 756 C TYR A 48 -10.987 2.515 -1.132 1.00 0.00 C ATOM 757 O TYR A 48 -11.379 3.593 -1.572 1.00 0.00 O ATOM 758 CB TYR A 48 -9.570 1.049 -2.466 1.00 0.00 C ATOM 759 CG TYR A 48 -9.371 -0.232 -3.248 1.00 0.00 C ATOM 760 CD1 TYR A 48 -9.133 -1.444 -2.573 1.00 0.00 C ATOM 761 CD2 TYR A 48 -9.422 -0.214 -4.654 1.00 0.00 C ATOM 762 CE1 TYR A 48 -8.869 -2.617 -3.301 1.00 0.00 C ATOM 763 CE2 TYR A 48 -9.191 -1.394 -5.380 1.00 0.00 C ATOM 764 CZ TYR A 48 -8.882 -2.586 -4.707 1.00 0.00 C ATOM 765 OH TYR A 48 -8.602 -3.708 -5.426 1.00 0.00 O ATOM 0 H TYR A 48 -11.659 2.051 -3.777 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.348 0.406 -1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.293 1.895 -3.095 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.893 1.052 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.153 -1.473 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.639 0.707 -5.175 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.657 -3.540 -2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.251 -1.384 -6.458 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.909 -4.227 -4.966 1.00 0.00 H new ATOM 775 N GLN A 49 -10.501 2.341 0.088 1.00 0.00 N ATOM 776 CA GLN A 49 -10.064 3.390 0.967 1.00 0.00 C ATOM 777 C GLN A 49 -8.573 3.086 1.122 1.00 0.00 C ATOM 778 O GLN A 49 -8.110 1.961 0.900 1.00 0.00 O ATOM 779 CB GLN A 49 -10.796 3.393 2.294 1.00 0.00 C ATOM 780 CG GLN A 49 -11.981 4.358 2.351 1.00 0.00 C ATOM 781 CD GLN A 49 -12.492 4.500 3.783 1.00 0.00 C ATOM 782 OE1 GLN A 49 -12.050 5.380 4.512 1.00 0.00 O ATOM 783 NE2 GLN A 49 -13.409 3.644 4.224 1.00 0.00 N ATOM 0 H GLN A 49 -10.400 1.415 0.503 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.266 4.387 0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.152 2.384 2.502 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.092 3.652 3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.681 5.333 1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.783 3.996 1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.767 2.917 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.754 3.715 5.181 1.00 0.00 H new ATOM 792 N THR A 50 -7.780 4.101 1.417 1.00 0.00 N ATOM 793 CA THR A 50 -6.346 3.950 1.544 1.00 0.00 C ATOM 794 C THR A 50 -5.849 4.937 2.580 1.00 0.00 C ATOM 795 O THR A 50 -6.477 5.968 2.813 1.00 0.00 O ATOM 796 CB THR A 50 -5.699 4.201 0.175 1.00 0.00 C ATOM 797 OG1 THR A 50 -6.380 3.454 -0.816 1.00 0.00 O ATOM 798 CG2 THR A 50 -4.225 3.820 0.111 1.00 0.00 C ATOM 0 H THR A 50 -8.114 5.052 1.575 1.00 0.00 H new ATOM 0 HA THR A 50 -6.082 2.943 1.868 1.00 0.00 H new ATOM 0 HB THR A 50 -5.773 5.275 0.004 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.987 3.641 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.839 4.026 -0.887 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.666 4.403 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.114 2.758 0.331 1.00 0.00 H new ATOM 806 N GLU A 51 -4.727 4.590 3.200 1.00 0.00 N ATOM 807 CA GLU A 51 -4.047 5.418 4.178 1.00 0.00 C ATOM 808 C GLU A 51 -2.554 5.289 3.871 1.00 0.00 C ATOM 809 O GLU A 51 -2.068 4.199 3.558 1.00 0.00 O ATOM 810 CB GLU A 51 -4.496 5.065 5.603 1.00 0.00 C ATOM 811 CG GLU A 51 -4.161 3.628 5.991 1.00 0.00 C ATOM 812 CD GLU A 51 -5.015 3.093 7.138 1.00 0.00 C ATOM 813 OE1 GLU A 51 -5.554 3.920 7.905 1.00 0.00 O ATOM 814 OE2 GLU A 51 -5.133 1.851 7.225 1.00 0.00 O ATOM 0 H GLU A 51 -4.256 3.701 3.029 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.304 6.475 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.020 5.747 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.572 5.218 5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.291 2.985 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.110 3.572 6.274 1.00 0.00 H new ATOM 821 N CYS A 52 -1.858 6.427 3.860 1.00 0.00 N ATOM 822 CA CYS A 52 -0.479 6.543 3.423 1.00 0.00 C ATOM 823 C CYS A 52 0.489 6.763 4.574 1.00 0.00 C ATOM 824 O CYS A 52 0.082 7.099 5.684 1.00 0.00 O ATOM 825 CB CYS A 52 -0.394 7.716 2.463 1.00 0.00 C ATOM 826 SG CYS A 52 -1.258 7.472 0.899 1.00 0.00 S ATOM 0 H CYS A 52 -2.256 7.315 4.165 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.191 5.606 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.801 8.600 2.954 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.656 7.922 2.254 1.00 0.00 H new ATOM 831 N CYS A 53 1.779 6.571 4.292 1.00 0.00 N ATOM 832 CA CYS A 53 2.866 6.754 5.244 1.00 0.00 C ATOM 833 C CYS A 53 4.171 6.911 4.475 1.00 0.00 C ATOM 834 O CYS A 53 4.173 6.865 3.246 1.00 0.00 O ATOM 835 CB CYS A 53 2.943 5.557 6.200 1.00 0.00 C ATOM 836 SG CYS A 53 3.268 3.972 5.397 1.00 0.00 S ATOM 0 H CYS A 53 2.100 6.276 3.370 1.00 0.00 H new ATOM 0 HA CYS A 53 2.687 7.649 5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.727 5.745 6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.004 5.486 6.748 1.00 0.00 H new ATOM 841 N LYS A 54 5.279 7.102 5.193 1.00 0.00 N ATOM 842 CA LYS A 54 6.617 7.194 4.665 1.00 0.00 C ATOM 843 C LYS A 54 7.534 6.423 5.611 1.00 0.00 C ATOM 844 O LYS A 54 7.252 6.378 6.809 1.00 0.00 O ATOM 845 CB LYS A 54 7.030 8.665 4.569 1.00 0.00 C ATOM 846 CG LYS A 54 6.568 9.530 5.752 1.00 0.00 C ATOM 847 CD LYS A 54 7.171 10.936 5.641 1.00 0.00 C ATOM 848 CE LYS A 54 6.791 11.818 6.838 1.00 0.00 C ATOM 849 NZ LYS A 54 5.339 12.058 6.912 1.00 0.00 N ATOM 0 H LYS A 54 5.253 7.200 6.208 1.00 0.00 H new ATOM 0 HA LYS A 54 6.680 6.769 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.116 8.721 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.626 9.084 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.480 9.592 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.872 9.068 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.256 10.861 5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.828 11.407 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.127 11.342 7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.312 12.772 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.138 12.739 7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.004 12.442 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.849 11.163 7.111 1.00 0.00 H new ATOM 863 N GLY A 55 8.608 5.830 5.083 1.00 0.00 N ATOM 864 CA GLY A 55 9.577 5.075 5.871 1.00 0.00 C ATOM 865 C GLY A 55 9.593 3.593 5.498 1.00 0.00 C ATOM 866 O GLY A 55 8.619 3.054 4.964 1.00 0.00 O ATOM 0 H GLY A 55 8.828 5.863 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.571 5.496 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.342 5.179 6.930 1.00 0.00 H new ATOM 870 N ASP A 56 10.721 2.928 5.773 1.00 0.00 N ATOM 871 CA ASP A 56 10.927 1.525 5.458 1.00 0.00 C ATOM 872 C ASP A 56 9.818 0.700 6.094 1.00 0.00 C ATOM 873 O ASP A 56 9.613 0.765 7.302 1.00 0.00 O ATOM 874 CB ASP A 56 12.308 1.057 5.940 1.00 0.00 C ATOM 875 CG ASP A 56 12.563 1.355 7.412 1.00 0.00 C ATOM 876 OD1 ASP A 56 12.660 2.563 7.726 1.00 0.00 O ATOM 877 OD2 ASP A 56 12.681 0.378 8.183 1.00 0.00 O ATOM 0 H ASP A 56 11.524 3.363 6.228 1.00 0.00 H new ATOM 0 HA ASP A 56 10.894 1.390 4.377 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.400 -0.016 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.078 1.541 5.339 1.00 0.00 H new ATOM 882 N ARG A 57 9.085 -0.048 5.265 1.00 0.00 N ATOM 883 CA ARG A 57 8.003 -0.904 5.680 1.00 0.00 C ATOM 884 C ARG A 57 6.983 -0.182 6.571 1.00 0.00 C ATOM 885 O ARG A 57 6.341 -0.821 7.402 1.00 0.00 O ATOM 886 CB ARG A 57 8.620 -2.105 6.387 1.00 0.00 C ATOM 887 CG ARG A 57 9.728 -2.828 5.606 1.00 0.00 C ATOM 888 CD ARG A 57 10.601 -3.652 6.555 1.00 0.00 C ATOM 889 NE ARG A 57 11.399 -2.764 7.413 1.00 0.00 N ATOM 890 CZ ARG A 57 12.298 -3.164 8.320 1.00 0.00 C ATOM 891 NH1 ARG A 57 12.506 -4.467 8.538 1.00 0.00 N ATOM 892 NH2 ARG A 57 12.986 -2.246 9.004 1.00 0.00 N ATOM 0 H ARG A 57 9.244 -0.065 4.258 1.00 0.00 H new ATOM 0 HA ARG A 57 7.435 -1.224 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.028 -1.774 7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.829 -2.821 6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.285 -3.479 4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.343 -2.100 5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.973 -4.296 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.260 -4.303 5.981 1.00 0.00 H new ATOM 0 HE ARG A 57 11.255 -1.760 7.308 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.978 -5.163 8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.193 -4.765 9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.823 -1.254 8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.674 -2.537 9.698 1.00 0.00 H new ATOM 906 N CYS A 58 6.802 1.135 6.401 1.00 0.00 N ATOM 907 CA CYS A 58 5.851 1.883 7.213 1.00 0.00 C ATOM 908 C CYS A 58 4.429 1.358 7.014 1.00 0.00 C ATOM 909 O CYS A 58 3.639 1.297 7.955 1.00 0.00 O ATOM 910 CB CYS A 58 5.928 3.371 6.859 1.00 0.00 C ATOM 911 SG CYS A 58 5.338 3.833 5.207 1.00 0.00 S ATOM 0 H CYS A 58 7.302 1.696 5.711 1.00 0.00 H new ATOM 0 HA CYS A 58 6.111 1.752 8.263 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.352 3.929 7.597 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.965 3.693 6.955 1.00 0.00 H new ATOM 916 N ASN A 59 4.105 0.953 5.787 1.00 0.00 N ATOM 917 CA ASN A 59 2.790 0.474 5.391 1.00 0.00 C ATOM 918 C ASN A 59 2.596 -0.993 5.778 1.00 0.00 C ATOM 919 O ASN A 59 2.245 -1.813 4.934 1.00 0.00 O ATOM 920 CB ASN A 59 2.618 0.690 3.881 1.00 0.00 C ATOM 921 CG ASN A 59 3.670 -0.020 3.028 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.729 -0.426 3.503 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.404 -0.139 1.735 1.00 0.00 N ATOM 0 H ASN A 59 4.776 0.951 5.019 1.00 0.00 H new ATOM 0 HA ASN A 59 2.022 1.038 5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.629 0.341 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.655 1.759 3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.084 -0.575 1.112 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.519 0.205 1.363 1.00 0.00 H new ATOM 930 N LYS A 60 2.820 -1.302 7.055 1.00 0.00 N ATOM 931 CA LYS A 60 2.659 -2.639 7.602 1.00 0.00 C ATOM 932 C LYS A 60 1.224 -2.800 8.109 1.00 0.00 C ATOM 933 O LYS A 60 0.912 -2.206 9.163 1.00 0.00 O ATOM 934 CB LYS A 60 3.719 -2.905 8.688 1.00 0.00 C ATOM 935 CG LYS A 60 3.935 -1.762 9.690 1.00 0.00 C ATOM 936 CD LYS A 60 4.910 -2.207 10.787 1.00 0.00 C ATOM 937 CE LYS A 60 5.267 -1.048 11.725 1.00 0.00 C ATOM 938 NZ LYS A 60 4.081 -0.511 12.415 1.00 0.00 N ATOM 939 OXT LYS A 60 0.440 -3.487 7.417 1.00 0.00 O ATOM 0 H LYS A 60 3.123 -0.615 7.746 1.00 0.00 H new ATOM 0 HA LYS A 60 2.822 -3.391 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.433 -3.800 9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.669 -3.122 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.328 -0.885 9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.983 -1.471 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.466 -3.019 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.818 -2.600 10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.992 -1.390 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.745 -0.253 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.379 0.188 13.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.453 -0.055 11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.572 -1.287 12.885 1.00 0.00 H new