USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=16 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 23 TYR OH : rot 15:sc= 0.939 USER MOD Set 1.2: A 43 THR OG1 : rot 131:sc= 1.07 USER MOD Set 2.1: A 29 THR OG1 : rot -170:sc= 0.0865 USER MOD Set 2.2: A 30 HIS : no HD1:sc= -0.0201 X(o=0.066,f=0.053) USER MOD Single : A 1 ARG N :NH3+ -166:sc= 2.23 (180deg=2.02) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -137:sc= 1.02 USER MOD Single : A 14 THR OG1 : rot -31:sc= 0.467 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= -0.0688 (180deg=-1.25) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.05 K(o=1.1,f=-6.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= -0.148 (180deg=-0.209) USER MOD Single : A 25 MET CE :methyl -178:sc= -0.36 (180deg=-0.383) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -46:sc= 1.02 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 1.82 K(o=1.8,f=-6!) USER MOD Single : A 50 THR OG1 : rot 68:sc= 0.00888 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 1.85 K(o=1.8,f=-11!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.334 4.828 -0.878 1.00 0.00 N ATOM 2 CA ARG A 1 12.666 3.769 0.082 1.00 0.00 C ATOM 3 C ARG A 1 11.979 2.476 -0.388 1.00 0.00 C ATOM 4 O ARG A 1 11.456 2.455 -1.503 1.00 0.00 O ATOM 5 CB ARG A 1 12.261 4.197 1.502 1.00 0.00 C ATOM 6 CG ARG A 1 13.187 3.636 2.591 1.00 0.00 C ATOM 7 CD ARG A 1 12.541 3.743 3.976 1.00 0.00 C ATOM 8 NE ARG A 1 12.911 4.980 4.678 1.00 0.00 N ATOM 9 CZ ARG A 1 13.261 5.090 5.972 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.364 4.029 6.785 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.512 6.307 6.461 1.00 0.00 N ATOM 0 H1 ARG A 1 12.963 5.643 -0.728 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.457 4.470 -1.847 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.346 5.123 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 1 13.740 3.586 0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.261 5.285 1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.241 3.867 1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.418 2.593 2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.132 4.180 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.457 3.699 3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.838 2.885 4.579 1.00 0.00 H new ATOM 0 HE ARG A 1 12.901 5.840 4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.174 3.093 6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.633 4.158 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 1 13.436 7.125 5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 1 13.779 6.418 7.439 1.00 0.00 H new ATOM 27 N ILE A 2 11.991 1.410 0.416 1.00 0.00 N ATOM 28 CA ILE A 2 11.390 0.130 0.057 1.00 0.00 C ATOM 29 C ILE A 2 9.899 0.175 0.359 1.00 0.00 C ATOM 30 O ILE A 2 9.514 0.678 1.412 1.00 0.00 O ATOM 31 CB ILE A 2 12.027 -1.012 0.873 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.562 -0.963 0.874 1.00 0.00 C ATOM 33 CG2 ILE A 2 11.545 -2.369 0.331 1.00 0.00 C ATOM 34 CD1 ILE A 2 14.149 -0.913 -0.533 1.00 0.00 C ATOM 0 H ILE A 2 12.422 1.414 1.340 1.00 0.00 H new ATOM 0 HA ILE A 2 11.558 -0.051 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 2 11.707 -0.884 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.893 -0.088 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.949 -1.839 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.998 -3.174 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.460 -2.429 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.836 -2.467 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 2 15.237 -0.880 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.843 -1.801 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.787 -0.023 -1.047 1.00 0.00 H new ATOM 46 N CYS A 3 9.072 -0.384 -0.523 1.00 0.00 N ATOM 47 CA CYS A 3 7.637 -0.496 -0.316 1.00 0.00 C ATOM 48 C CYS A 3 7.231 -1.895 -0.746 1.00 0.00 C ATOM 49 O CYS A 3 7.916 -2.518 -1.552 1.00 0.00 O ATOM 50 CB CYS A 3 6.868 0.549 -1.135 1.00 0.00 C ATOM 51 SG CYS A 3 7.199 2.275 -0.708 1.00 0.00 S ATOM 0 H CYS A 3 9.388 -0.775 -1.411 1.00 0.00 H new ATOM 0 HA CYS A 3 7.398 -0.318 0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.103 0.403 -2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.800 0.363 -1.018 1.00 0.00 H new ATOM 56 N TYR A 4 6.136 -2.408 -0.195 1.00 0.00 N ATOM 57 CA TYR A 4 5.587 -3.695 -0.576 1.00 0.00 C ATOM 58 C TYR A 4 4.786 -3.465 -1.851 1.00 0.00 C ATOM 59 O TYR A 4 4.075 -2.464 -1.941 1.00 0.00 O ATOM 60 CB TYR A 4 4.732 -4.253 0.565 1.00 0.00 C ATOM 61 CG TYR A 4 5.442 -5.026 1.662 1.00 0.00 C ATOM 62 CD1 TYR A 4 6.844 -5.147 1.711 1.00 0.00 C ATOM 63 CD2 TYR A 4 4.663 -5.688 2.625 1.00 0.00 C ATOM 64 CE1 TYR A 4 7.445 -6.036 2.619 1.00 0.00 C ATOM 65 CE2 TYR A 4 5.276 -6.486 3.605 1.00 0.00 C ATOM 66 CZ TYR A 4 6.659 -6.703 3.570 1.00 0.00 C ATOM 67 OH TYR A 4 7.237 -7.537 4.480 1.00 0.00 O ATOM 0 H TYR A 4 5.603 -1.934 0.535 1.00 0.00 H new ATOM 0 HA TYR A 4 6.363 -4.437 -0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 4 4.205 -3.419 1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.975 -4.906 0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.459 -4.555 1.049 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.588 -5.583 2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.511 -6.205 2.584 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.680 -6.933 4.387 1.00 0.00 H new ATOM 0 HH TYR A 4 6.546 -7.914 5.064 1.00 0.00 H new ATOM 77 N SER A 5 4.956 -4.345 -2.841 1.00 0.00 N ATOM 78 CA SER A 5 4.355 -4.227 -4.164 1.00 0.00 C ATOM 79 C SER A 5 3.047 -5.004 -4.307 1.00 0.00 C ATOM 80 O SER A 5 2.014 -4.443 -4.662 1.00 0.00 O ATOM 81 CB SER A 5 5.385 -4.767 -5.160 1.00 0.00 C ATOM 82 OG SER A 5 5.925 -5.989 -4.681 1.00 0.00 O ATOM 0 H SER A 5 5.532 -5.181 -2.738 1.00 0.00 H new ATOM 0 HA SER A 5 4.101 -3.183 -4.345 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.917 -4.922 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.183 -4.038 -5.303 1.00 0.00 H new ATOM 0 HG SER A 5 6.895 -5.995 -4.821 1.00 0.00 H new ATOM 215 N THR A 14 8.413 -7.001 -2.460 1.00 0.00 N ATOM 216 CA THR A 14 8.767 -5.600 -2.395 1.00 0.00 C ATOM 217 C THR A 14 8.867 -4.923 -3.766 1.00 0.00 C ATOM 218 O THR A 14 8.670 -5.542 -4.813 1.00 0.00 O ATOM 219 CB THR A 14 10.133 -5.550 -1.695 1.00 0.00 C ATOM 220 OG1 THR A 14 10.994 -6.488 -2.315 1.00 0.00 O ATOM 221 CG2 THR A 14 10.033 -5.910 -0.212 1.00 0.00 C ATOM 0 HA THR A 14 7.986 -5.057 -1.863 1.00 0.00 H new ATOM 0 HB THR A 14 10.513 -4.532 -1.778 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.468 -7.247 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.023 -5.861 0.242 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.369 -5.206 0.289 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.636 -6.920 -0.109 1.00 0.00 H new ATOM 229 N LYS A 15 9.151 -3.620 -3.716 1.00 0.00 N ATOM 230 CA LYS A 15 9.527 -2.732 -4.802 1.00 0.00 C ATOM 231 C LYS A 15 10.367 -1.624 -4.159 1.00 0.00 C ATOM 232 O LYS A 15 10.199 -1.336 -2.973 1.00 0.00 O ATOM 233 CB LYS A 15 8.322 -2.156 -5.560 1.00 0.00 C ATOM 234 CG LYS A 15 7.323 -1.403 -4.669 1.00 0.00 C ATOM 235 CD LYS A 15 6.253 -0.724 -5.536 1.00 0.00 C ATOM 236 CE LYS A 15 5.407 0.270 -4.731 1.00 0.00 C ATOM 237 NZ LYS A 15 4.573 -0.400 -3.719 1.00 0.00 N ATOM 0 H LYS A 15 9.119 -3.120 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 15 10.085 -3.280 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.683 -1.480 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.801 -2.970 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.852 -2.095 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.847 -0.656 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.734 -0.203 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.604 -1.483 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.063 0.989 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.768 0.834 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.541 0.180 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.609 -0.523 -4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.979 -1.331 -3.495 1.00 0.00 H new ATOM 251 N THR A 16 11.278 -1.021 -4.924 1.00 0.00 N ATOM 252 CA THR A 16 12.132 0.063 -4.460 1.00 0.00 C ATOM 253 C THR A 16 11.662 1.348 -5.134 1.00 0.00 C ATOM 254 O THR A 16 11.730 1.452 -6.356 1.00 0.00 O ATOM 255 CB THR A 16 13.594 -0.256 -4.799 1.00 0.00 C ATOM 256 OG1 THR A 16 13.947 -1.475 -4.177 1.00 0.00 O ATOM 257 CG2 THR A 16 14.546 0.832 -4.292 1.00 0.00 C ATOM 0 H THR A 16 11.442 -1.279 -5.897 1.00 0.00 H new ATOM 0 HA THR A 16 12.068 0.184 -3.379 1.00 0.00 H new ATOM 0 HB THR A 16 13.683 -0.317 -5.884 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.879 -1.692 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.571 0.568 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.288 1.785 -4.754 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.457 0.918 -3.209 1.00 0.00 H new ATOM 265 N CYS A 17 11.159 2.302 -4.348 1.00 0.00 N ATOM 266 CA CYS A 17 10.713 3.602 -4.836 1.00 0.00 C ATOM 267 C CYS A 17 11.655 4.666 -4.274 1.00 0.00 C ATOM 268 O CYS A 17 12.596 4.341 -3.550 1.00 0.00 O ATOM 269 CB CYS A 17 9.278 3.859 -4.396 1.00 0.00 C ATOM 270 SG CYS A 17 8.372 5.073 -5.380 1.00 0.00 S ATOM 0 H CYS A 17 11.050 2.188 -3.340 1.00 0.00 H new ATOM 0 HA CYS A 17 10.735 3.631 -5.925 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.733 2.915 -4.423 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.288 4.192 -3.358 1.00 0.00 H new ATOM 275 N VAL A 18 11.394 5.943 -4.545 1.00 0.00 N ATOM 276 CA VAL A 18 12.177 7.044 -4.021 1.00 0.00 C ATOM 277 C VAL A 18 11.606 7.440 -2.655 1.00 0.00 C ATOM 278 O VAL A 18 12.331 7.438 -1.659 1.00 0.00 O ATOM 279 CB VAL A 18 12.195 8.195 -5.045 1.00 0.00 C ATOM 280 CG1 VAL A 18 12.954 7.756 -6.305 1.00 0.00 C ATOM 281 CG2 VAL A 18 10.826 8.758 -5.461 1.00 0.00 C ATOM 0 H VAL A 18 10.622 6.239 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 18 13.218 6.760 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 18 12.694 9.011 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.964 8.573 -7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.978 7.493 -6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.459 6.890 -6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.967 9.562 -6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.228 7.966 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.310 9.147 -4.583 1.00 0.00 H new ATOM 291 N GLU A 19 10.288 7.669 -2.602 1.00 0.00 N ATOM 292 CA GLU A 19 9.546 8.117 -1.431 1.00 0.00 C ATOM 293 C GLU A 19 9.886 7.343 -0.161 1.00 0.00 C ATOM 294 O GLU A 19 10.091 6.128 -0.188 1.00 0.00 O ATOM 295 CB GLU A 19 8.037 7.960 -1.671 1.00 0.00 C ATOM 296 CG GLU A 19 7.517 8.804 -2.837 1.00 0.00 C ATOM 297 CD GLU A 19 7.753 10.296 -2.622 1.00 0.00 C ATOM 298 OE1 GLU A 19 7.221 10.813 -1.616 1.00 0.00 O ATOM 299 OE2 GLU A 19 8.469 10.886 -3.459 1.00 0.00 O ATOM 0 H GLU A 19 9.687 7.539 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 19 9.830 9.159 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.814 6.911 -1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.501 8.238 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.008 8.490 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.450 8.622 -2.967 1.00 0.00 H new ATOM 306 N ASN A 20 9.898 8.065 0.960 1.00 0.00 N ATOM 307 CA ASN A 20 10.078 7.487 2.285 1.00 0.00 C ATOM 308 C ASN A 20 8.748 6.885 2.754 1.00 0.00 C ATOM 309 O ASN A 20 8.702 6.180 3.765 1.00 0.00 O ATOM 310 CB ASN A 20 10.569 8.571 3.255 1.00 0.00 C ATOM 311 CG ASN A 20 11.274 7.986 4.478 1.00 0.00 C ATOM 312 OD1 ASN A 20 12.484 8.128 4.622 1.00 0.00 O ATOM 313 ND2 ASN A 20 10.554 7.311 5.367 1.00 0.00 N ATOM 0 H ASN A 20 9.781 9.078 0.970 1.00 0.00 H new ATOM 0 HA ASN A 20 10.826 6.695 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.252 9.240 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.721 9.173 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.006 6.902 6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.549 7.202 5.232 1.00 0.00 H new ATOM 320 N THR A 21 7.661 7.189 2.038 1.00 0.00 N ATOM 321 CA THR A 21 6.321 6.750 2.335 1.00 0.00 C ATOM 322 C THR A 21 5.849 5.728 1.306 1.00 0.00 C ATOM 323 O THR A 21 6.344 5.687 0.177 1.00 0.00 O ATOM 324 CB THR A 21 5.426 7.997 2.367 1.00 0.00 C ATOM 325 OG1 THR A 21 5.787 8.853 1.297 1.00 0.00 O ATOM 326 CG2 THR A 21 5.614 8.773 3.673 1.00 0.00 C ATOM 0 H THR A 21 7.708 7.773 1.203 1.00 0.00 H new ATOM 0 HA THR A 21 6.279 6.248 3.302 1.00 0.00 H new ATOM 0 HB THR A 21 4.388 7.674 2.284 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.218 9.651 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.969 9.652 3.670 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.353 8.134 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.654 9.087 3.763 1.00 0.00 H new ATOM 334 N CYS A 22 4.903 4.884 1.714 1.00 0.00 N ATOM 335 CA CYS A 22 4.284 3.877 0.877 1.00 0.00 C ATOM 336 C CYS A 22 2.809 3.864 1.221 1.00 0.00 C ATOM 337 O CYS A 22 2.441 4.272 2.323 1.00 0.00 O ATOM 338 CB CYS A 22 4.842 2.486 1.169 1.00 0.00 C ATOM 339 SG CYS A 22 6.637 2.329 1.287 1.00 0.00 S ATOM 0 H CYS A 22 4.540 4.888 2.667 1.00 0.00 H new ATOM 0 HA CYS A 22 4.474 4.113 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.409 2.138 2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.494 1.811 0.387 1.00 0.00 H new ATOM 344 N TYR A 23 1.972 3.378 0.305 1.00 0.00 N ATOM 345 CA TYR A 23 0.563 3.186 0.585 1.00 0.00 C ATOM 346 C TYR A 23 0.151 1.736 0.410 1.00 0.00 C ATOM 347 O TYR A 23 0.838 0.916 -0.214 1.00 0.00 O ATOM 348 CB TYR A 23 -0.319 4.077 -0.292 1.00 0.00 C ATOM 349 CG TYR A 23 -0.276 3.828 -1.790 1.00 0.00 C ATOM 350 CD1 TYR A 23 -1.099 2.842 -2.372 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.322 4.791 -2.616 1.00 0.00 C ATOM 352 CE1 TYR A 23 -1.422 2.908 -3.739 1.00 0.00 C ATOM 353 CE2 TYR A 23 -0.022 4.879 -3.974 1.00 0.00 C ATOM 354 CZ TYR A 23 -0.929 3.963 -4.526 1.00 0.00 C ATOM 355 OH TYR A 23 -1.331 4.096 -5.818 1.00 0.00 O ATOM 0 H TYR A 23 2.254 3.111 -0.638 1.00 0.00 H new ATOM 0 HA TYR A 23 0.416 3.470 1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.351 3.965 0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.037 5.115 -0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.482 2.034 -1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.053 5.470 -2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.048 2.149 -4.184 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.411 5.651 -4.593 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.124 3.541 -5.973 1.00 0.00 H new ATOM 365 N LYS A 24 -1.022 1.478 0.979 1.00 0.00 N ATOM 366 CA LYS A 24 -1.767 0.241 0.904 1.00 0.00 C ATOM 367 C LYS A 24 -3.206 0.627 0.537 1.00 0.00 C ATOM 368 O LYS A 24 -3.781 1.544 1.127 1.00 0.00 O ATOM 369 CB LYS A 24 -1.631 -0.567 2.200 1.00 0.00 C ATOM 370 CG LYS A 24 -1.453 0.265 3.475 1.00 0.00 C ATOM 371 CD LYS A 24 -1.482 -0.674 4.688 1.00 0.00 C ATOM 372 CE LYS A 24 -1.287 0.052 6.026 1.00 0.00 C ATOM 373 NZ LYS A 24 0.026 0.716 6.122 1.00 0.00 N ATOM 0 H LYS A 24 -1.504 2.180 1.541 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.379 -0.433 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.517 -1.191 2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.778 -1.239 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.509 0.809 3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.246 1.008 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.435 -1.203 4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.702 -1.426 4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.076 0.794 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.389 -0.663 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.075 1.261 7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.779 -0.001 6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.151 1.357 5.313 1.00 0.00 H new ATOM 387 N MET A 25 -3.735 -0.023 -0.501 1.00 0.00 N ATOM 388 CA MET A 25 -5.038 0.202 -1.105 1.00 0.00 C ATOM 389 C MET A 25 -6.008 -0.907 -0.703 1.00 0.00 C ATOM 390 O MET A 25 -5.684 -2.084 -0.864 1.00 0.00 O ATOM 391 CB MET A 25 -4.832 0.226 -2.616 1.00 0.00 C ATOM 392 CG MET A 25 -6.095 0.292 -3.480 1.00 0.00 C ATOM 393 SD MET A 25 -5.697 0.255 -5.249 1.00 0.00 S ATOM 394 CE MET A 25 -7.285 -0.209 -5.964 1.00 0.00 C ATOM 0 H MET A 25 -3.224 -0.771 -0.970 1.00 0.00 H new ATOM 0 HA MET A 25 -5.469 1.144 -0.765 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.207 1.085 -2.861 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.273 -0.666 -2.898 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.748 -0.546 -3.236 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.647 1.203 -3.250 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.183 -0.305 -7.045 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.609 -1.161 -5.544 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.025 0.558 -5.736 1.00 0.00 H new ATOM 404 N PHE A 26 -7.204 -0.542 -0.234 1.00 0.00 N ATOM 405 CA PHE A 26 -8.247 -1.459 0.215 1.00 0.00 C ATOM 406 C PHE A 26 -9.600 -1.017 -0.345 1.00 0.00 C ATOM 407 O PHE A 26 -9.737 0.110 -0.824 1.00 0.00 O ATOM 408 CB PHE A 26 -8.268 -1.478 1.749 1.00 0.00 C ATOM 409 CG PHE A 26 -8.307 -0.096 2.379 1.00 0.00 C ATOM 410 CD1 PHE A 26 -9.534 0.557 2.582 1.00 0.00 C ATOM 411 CD2 PHE A 26 -7.109 0.594 2.637 1.00 0.00 C ATOM 412 CE1 PHE A 26 -9.576 1.835 3.159 1.00 0.00 C ATOM 413 CE2 PHE A 26 -7.154 1.919 3.096 1.00 0.00 C ATOM 414 CZ PHE A 26 -8.380 2.522 3.415 1.00 0.00 C ATOM 0 H PHE A 26 -7.480 0.437 -0.155 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.043 -2.466 -0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.137 -2.044 2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.385 -2.006 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.453 0.071 2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.158 0.106 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -10.525 2.288 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.237 2.479 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.403 3.508 3.855 1.00 0.00 H new ATOM 424 N ILE A 27 -10.607 -1.898 -0.316 1.00 0.00 N ATOM 425 CA ILE A 27 -11.941 -1.531 -0.783 1.00 0.00 C ATOM 426 C ILE A 27 -12.536 -0.628 0.294 1.00 0.00 C ATOM 427 O ILE A 27 -12.409 -0.916 1.482 1.00 0.00 O ATOM 428 CB ILE A 27 -12.823 -2.761 -1.055 1.00 0.00 C ATOM 429 CG1 ILE A 27 -12.150 -3.678 -2.088 1.00 0.00 C ATOM 430 CG2 ILE A 27 -14.189 -2.308 -1.598 1.00 0.00 C ATOM 431 CD1 ILE A 27 -12.854 -5.029 -2.225 1.00 0.00 C ATOM 0 H ILE A 27 -10.522 -2.857 0.022 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.885 -1.013 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.959 -3.308 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.138 -3.179 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.111 -3.842 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.812 -3.182 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.678 -1.668 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -14.046 -1.753 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.336 -5.636 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.843 -5.544 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.885 -4.871 -2.541 1.00 0.00 H new ATOM 443 N ARG A 28 -13.199 0.454 -0.112 1.00 0.00 N ATOM 444 CA ARG A 28 -13.686 1.475 0.809 1.00 0.00 C ATOM 445 C ARG A 28 -14.555 0.905 1.931 1.00 0.00 C ATOM 446 O ARG A 28 -14.508 1.394 3.059 1.00 0.00 O ATOM 447 CB ARG A 28 -14.402 2.571 0.009 1.00 0.00 C ATOM 448 CG ARG A 28 -14.590 3.830 0.864 1.00 0.00 C ATOM 449 CD ARG A 28 -14.979 5.055 0.032 1.00 0.00 C ATOM 450 NE ARG A 28 -13.881 5.446 -0.867 1.00 0.00 N ATOM 451 CZ ARG A 28 -13.489 6.695 -1.146 1.00 0.00 C ATOM 452 NH1 ARG A 28 -14.222 7.754 -0.787 1.00 0.00 N ATOM 453 NH2 ARG A 28 -12.333 6.859 -1.791 1.00 0.00 N ATOM 0 H ARG A 28 -13.413 0.646 -1.091 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.829 1.913 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.824 2.814 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.372 2.207 -0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.360 3.644 1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.666 4.040 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.872 4.835 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.227 5.885 0.693 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.368 4.691 -1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.102 7.620 -0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.901 8.696 -1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.777 6.046 -2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.005 7.797 -2.019 1.00 0.00 H new ATOM 467 N THR A 29 -15.355 -0.111 1.619 1.00 0.00 N ATOM 468 CA THR A 29 -16.180 -0.812 2.583 1.00 0.00 C ATOM 469 C THR A 29 -15.296 -1.781 3.373 1.00 0.00 C ATOM 470 O THR A 29 -15.135 -1.677 4.588 1.00 0.00 O ATOM 471 CB THR A 29 -17.267 -1.576 1.812 1.00 0.00 C ATOM 472 OG1 THR A 29 -16.666 -2.259 0.723 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.325 -0.618 1.259 1.00 0.00 C ATOM 0 H THR A 29 -15.446 -0.473 0.670 1.00 0.00 H new ATOM 0 HA THR A 29 -16.650 -0.119 3.281 1.00 0.00 H new ATOM 0 HB THR A 29 -17.747 -2.276 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.364 -2.618 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.082 -1.185 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.794 -0.080 2.082 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.853 0.094 0.582 1.00 0.00 H new ATOM 481 N HIS A 30 -14.719 -2.743 2.655 1.00 0.00 N ATOM 482 CA HIS A 30 -13.906 -3.813 3.215 1.00 0.00 C ATOM 483 C HIS A 30 -12.495 -3.298 3.477 1.00 0.00 C ATOM 484 O HIS A 30 -11.534 -3.687 2.818 1.00 0.00 O ATOM 485 CB HIS A 30 -13.940 -5.031 2.280 1.00 0.00 C ATOM 486 CG HIS A 30 -15.335 -5.301 1.774 1.00 0.00 C ATOM 487 ND1 HIS A 30 -16.408 -5.518 2.626 1.00 0.00 N ATOM 488 CD2 HIS A 30 -15.884 -5.207 0.518 1.00 0.00 C ATOM 489 CE1 HIS A 30 -17.523 -5.485 1.879 1.00 0.00 C ATOM 490 NE2 HIS A 30 -17.274 -5.255 0.588 1.00 0.00 N ATOM 0 H HIS A 30 -14.809 -2.798 1.640 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.308 -4.139 4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.272 -4.861 1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.568 -5.908 2.810 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.317 -5.110 -0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -18.515 -5.629 2.280 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -17.946 -5.141 -0.171 1.00 0.00 H new ATOM 498 N ARG A 31 -12.375 -2.423 4.475 1.00 0.00 N ATOM 499 CA ARG A 31 -11.101 -1.835 4.834 1.00 0.00 C ATOM 500 C ARG A 31 -10.119 -2.894 5.325 1.00 0.00 C ATOM 501 O ARG A 31 -8.931 -2.830 5.012 1.00 0.00 O ATOM 502 CB ARG A 31 -11.330 -0.718 5.853 1.00 0.00 C ATOM 503 CG ARG A 31 -12.261 0.339 5.243 1.00 0.00 C ATOM 504 CD ARG A 31 -12.045 1.728 5.844 1.00 0.00 C ATOM 505 NE ARG A 31 -12.779 2.716 5.043 1.00 0.00 N ATOM 506 CZ ARG A 31 -12.341 3.936 4.704 1.00 0.00 C ATOM 507 NH1 ARG A 31 -11.206 4.439 5.197 1.00 0.00 N ATOM 508 NH2 ARG A 31 -13.037 4.665 3.832 1.00 0.00 N ATOM 0 H ARG A 31 -13.157 -2.108 5.049 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.641 -1.394 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.770 -1.125 6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.379 -0.264 6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.098 0.384 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.297 0.038 5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.392 1.749 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.982 1.970 5.859 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.707 2.449 4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.647 3.891 5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.899 5.371 4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.897 4.293 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.710 5.595 3.569 1.00 0.00 H new ATOM 522 N GLU A 32 -10.608 -3.909 6.043 1.00 0.00 N ATOM 523 CA GLU A 32 -9.783 -5.000 6.552 1.00 0.00 C ATOM 524 C GLU A 32 -9.483 -6.012 5.428 1.00 0.00 C ATOM 525 O GLU A 32 -9.669 -7.214 5.593 1.00 0.00 O ATOM 526 CB GLU A 32 -10.503 -5.636 7.754 1.00 0.00 C ATOM 527 CG GLU A 32 -9.553 -6.456 8.638 1.00 0.00 C ATOM 528 CD GLU A 32 -10.284 -7.025 9.851 1.00 0.00 C ATOM 529 OE1 GLU A 32 -10.522 -6.234 10.789 1.00 0.00 O ATOM 530 OE2 GLU A 32 -10.599 -8.234 9.814 1.00 0.00 O ATOM 0 H GLU A 32 -11.595 -3.994 6.287 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.817 -4.629 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.966 -4.852 8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.306 -6.279 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.121 -7.270 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.727 -5.827 8.970 1.00 0.00 H new ATOM 537 N TYR A 33 -9.027 -5.518 4.274 1.00 0.00 N ATOM 538 CA TYR A 33 -8.669 -6.297 3.104 1.00 0.00 C ATOM 539 C TYR A 33 -7.760 -5.431 2.232 1.00 0.00 C ATOM 540 O TYR A 33 -8.235 -4.583 1.475 1.00 0.00 O ATOM 541 CB TYR A 33 -9.936 -6.729 2.353 1.00 0.00 C ATOM 542 CG TYR A 33 -9.664 -7.396 1.018 1.00 0.00 C ATOM 543 CD1 TYR A 33 -9.117 -8.691 0.974 1.00 0.00 C ATOM 544 CD2 TYR A 33 -9.909 -6.700 -0.181 1.00 0.00 C ATOM 545 CE1 TYR A 33 -8.816 -9.288 -0.263 1.00 0.00 C ATOM 546 CE2 TYR A 33 -9.596 -7.293 -1.416 1.00 0.00 C ATOM 547 CZ TYR A 33 -9.051 -8.585 -1.458 1.00 0.00 C ATOM 548 OH TYR A 33 -8.761 -9.155 -2.661 1.00 0.00 O ATOM 0 H TYR A 33 -8.894 -4.517 4.132 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.140 -7.208 3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.503 -7.416 2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.565 -5.854 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.928 -9.228 1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.338 -5.709 -0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.405 -10.286 -0.295 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.775 -6.753 -2.334 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.987 -8.531 -3.382 1.00 0.00 H new ATOM 558 N ILE A 34 -6.444 -5.643 2.320 1.00 0.00 N ATOM 559 CA ILE A 34 -5.503 -4.877 1.519 1.00 0.00 C ATOM 560 C ILE A 34 -5.550 -5.500 0.128 1.00 0.00 C ATOM 561 O ILE A 34 -5.133 -6.638 -0.078 1.00 0.00 O ATOM 562 CB ILE A 34 -4.090 -4.898 2.127 1.00 0.00 C ATOM 563 CG1 ILE A 34 -4.082 -4.443 3.600 1.00 0.00 C ATOM 564 CG2 ILE A 34 -3.174 -3.995 1.285 1.00 0.00 C ATOM 565 CD1 ILE A 34 -4.795 -3.111 3.867 1.00 0.00 C ATOM 0 H ILE A 34 -6.015 -6.335 2.935 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.771 -3.821 1.481 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.726 -5.925 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.550 -5.218 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.048 -4.358 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.169 -4.002 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.140 -4.365 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.563 -2.977 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.737 -2.874 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.315 -2.319 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.841 -3.192 3.570 1.00 0.00 H new ATOM 577 N SER A 35 -6.110 -4.744 -0.811 1.00 0.00 N ATOM 578 CA SER A 35 -6.349 -5.139 -2.178 1.00 0.00 C ATOM 579 C SER A 35 -5.064 -5.033 -2.991 1.00 0.00 C ATOM 580 O SER A 35 -4.663 -5.996 -3.643 1.00 0.00 O ATOM 581 CB SER A 35 -7.423 -4.211 -2.748 1.00 0.00 C ATOM 582 OG SER A 35 -8.584 -4.255 -1.939 1.00 0.00 O ATOM 0 H SER A 35 -6.422 -3.792 -0.620 1.00 0.00 H new ATOM 0 HA SER A 35 -6.683 -6.175 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.044 -3.190 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.669 -4.510 -3.767 1.00 0.00 H new ATOM 0 HG SER A 35 -8.800 -5.187 -1.728 1.00 0.00 H new ATOM 588 N GLU A 36 -4.430 -3.859 -2.952 1.00 0.00 N ATOM 589 CA GLU A 36 -3.216 -3.563 -3.703 1.00 0.00 C ATOM 590 C GLU A 36 -2.332 -2.650 -2.855 1.00 0.00 C ATOM 591 O GLU A 36 -2.709 -2.299 -1.738 1.00 0.00 O ATOM 592 CB GLU A 36 -3.630 -2.962 -5.056 1.00 0.00 C ATOM 593 CG GLU A 36 -2.504 -2.838 -6.092 1.00 0.00 C ATOM 594 CD GLU A 36 -3.076 -2.638 -7.492 1.00 0.00 C ATOM 595 OE1 GLU A 36 -3.655 -1.554 -7.720 1.00 0.00 O ATOM 596 OE2 GLU A 36 -2.934 -3.578 -8.304 1.00 0.00 O ATOM 0 H GLU A 36 -4.755 -3.075 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.623 -4.452 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.425 -3.576 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.051 -1.972 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.858 -1.999 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.885 -3.735 -6.072 1.00 0.00 H new ATOM 603 N ARG A 37 -1.152 -2.284 -3.353 1.00 0.00 N ATOM 604 CA ARG A 37 -0.213 -1.417 -2.663 1.00 0.00 C ATOM 605 C ARG A 37 0.421 -0.448 -3.644 1.00 0.00 C ATOM 606 O ARG A 37 0.276 -0.601 -4.856 1.00 0.00 O ATOM 607 CB ARG A 37 0.874 -2.262 -2.002 1.00 0.00 C ATOM 608 CG ARG A 37 0.349 -2.929 -0.740 1.00 0.00 C ATOM 609 CD ARG A 37 1.389 -3.905 -0.200 1.00 0.00 C ATOM 610 NE ARG A 37 0.901 -4.606 0.992 1.00 0.00 N ATOM 611 CZ ARG A 37 -0.004 -5.596 0.993 1.00 0.00 C ATOM 612 NH1 ARG A 37 -0.451 -6.116 -0.159 1.00 0.00 N ATOM 613 NH2 ARG A 37 -0.467 -6.063 2.158 1.00 0.00 N ATOM 0 H ARG A 37 -0.820 -2.591 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.748 -0.850 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.225 -3.021 -2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.730 -1.634 -1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.120 -2.175 0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.580 -3.456 -0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.643 -4.631 -0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.304 -3.365 0.043 1.00 0.00 H new ATOM 0 HE ARG A 37 1.281 -4.317 1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.103 -5.759 -1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.139 -6.869 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.132 -5.666 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.155 -6.816 2.168 1.00 0.00 H new ATOM 627 N GLY A 38 1.129 0.547 -3.110 1.00 0.00 N ATOM 628 CA GLY A 38 1.794 1.530 -3.949 1.00 0.00 C ATOM 629 C GLY A 38 2.821 2.351 -3.182 1.00 0.00 C ATOM 630 O GLY A 38 3.036 2.145 -1.989 1.00 0.00 O ATOM 0 H GLY A 38 1.253 0.689 -2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.286 1.022 -4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.049 2.198 -4.381 1.00 0.00 H new ATOM 634 N CYS A 39 3.477 3.262 -3.898 1.00 0.00 N ATOM 635 CA CYS A 39 4.530 4.127 -3.388 1.00 0.00 C ATOM 636 C CYS A 39 3.951 5.471 -2.948 1.00 0.00 C ATOM 637 O CYS A 39 3.056 6.000 -3.601 1.00 0.00 O ATOM 638 CB CYS A 39 5.561 4.336 -4.496 1.00 0.00 C ATOM 639 SG CYS A 39 6.802 5.587 -4.123 1.00 0.00 S ATOM 0 H CYS A 39 3.280 3.421 -4.886 1.00 0.00 H new ATOM 0 HA CYS A 39 5.001 3.663 -2.521 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.064 3.389 -4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.041 4.617 -5.412 1.00 0.00 H new ATOM 644 N GLY A 40 4.454 6.027 -1.846 1.00 0.00 N ATOM 645 CA GLY A 40 4.022 7.306 -1.326 1.00 0.00 C ATOM 646 C GLY A 40 2.733 7.248 -0.500 1.00 0.00 C ATOM 647 O GLY A 40 2.747 6.842 0.657 1.00 0.00 O ATOM 0 H GLY A 40 5.185 5.587 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.818 7.721 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.875 7.993 -2.159 1.00 0.00 H new ATOM 651 N CYS A 41 1.626 7.712 -1.083 1.00 0.00 N ATOM 652 CA CYS A 41 0.325 7.978 -0.472 1.00 0.00 C ATOM 653 C CYS A 41 -0.708 7.929 -1.639 1.00 0.00 C ATOM 654 O CYS A 41 -0.255 7.852 -2.778 1.00 0.00 O ATOM 655 CB CYS A 41 0.554 9.335 0.224 1.00 0.00 C ATOM 656 SG CYS A 41 -0.222 9.902 1.770 1.00 0.00 S ATOM 0 H CYS A 41 1.618 7.929 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.066 7.284 0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.628 9.397 0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.307 10.091 -0.521 1.00 0.00 H new ATOM 661 N PRO A 42 -2.037 7.917 -1.397 1.00 0.00 N ATOM 662 CA PRO A 42 -3.167 7.750 -2.303 1.00 0.00 C ATOM 663 C PRO A 42 -3.086 7.966 -3.809 1.00 0.00 C ATOM 664 O PRO A 42 -2.286 8.706 -4.375 1.00 0.00 O ATOM 665 CB PRO A 42 -4.273 8.632 -1.729 1.00 0.00 C ATOM 666 CG PRO A 42 -4.119 8.389 -0.237 1.00 0.00 C ATOM 667 CD PRO A 42 -2.626 8.080 -0.089 1.00 0.00 C ATOM 0 HA PRO A 42 -3.302 6.668 -2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.136 9.682 -1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.259 8.340 -2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.410 9.263 0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.738 7.559 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.128 8.887 0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.488 7.173 0.500 1.00 0.00 H new ATOM 675 N THR A 43 -4.042 7.289 -4.447 1.00 0.00 N ATOM 676 CA THR A 43 -4.306 7.279 -5.878 1.00 0.00 C ATOM 677 C THR A 43 -5.741 6.817 -6.092 1.00 0.00 C ATOM 678 O THR A 43 -6.592 7.459 -6.699 1.00 0.00 O ATOM 679 CB THR A 43 -3.292 6.378 -6.610 1.00 0.00 C ATOM 680 OG1 THR A 43 -1.955 6.705 -6.272 1.00 0.00 O ATOM 681 CG2 THR A 43 -3.457 6.511 -8.122 1.00 0.00 C ATOM 0 H THR A 43 -4.695 6.693 -3.938 1.00 0.00 H new ATOM 0 HA THR A 43 -4.189 8.279 -6.296 1.00 0.00 H new ATOM 0 HB THR A 43 -3.493 5.354 -6.296 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.470 5.889 -6.030 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.734 5.869 -8.625 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.466 6.213 -8.406 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.289 7.547 -8.417 1.00 0.00 H new ATOM 689 N ALA A 44 -5.931 5.651 -5.520 1.00 0.00 N ATOM 690 CA ALA A 44 -7.126 4.827 -5.480 1.00 0.00 C ATOM 691 C ALA A 44 -8.237 5.461 -4.647 1.00 0.00 C ATOM 692 O ALA A 44 -8.096 5.555 -3.425 1.00 0.00 O ATOM 693 CB ALA A 44 -6.760 3.482 -4.863 1.00 0.00 C ATOM 0 H ALA A 44 -5.168 5.203 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.496 4.716 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.645 2.847 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.994 3.000 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.379 3.636 -3.854 1.00 0.00 H new ATOM 699 N MET A 45 -9.330 5.845 -5.314 1.00 0.00 N ATOM 700 CA MET A 45 -10.531 6.415 -4.742 1.00 0.00 C ATOM 701 C MET A 45 -11.704 5.439 -4.935 1.00 0.00 C ATOM 702 O MET A 45 -11.504 4.303 -5.371 1.00 0.00 O ATOM 703 CB MET A 45 -10.788 7.756 -5.441 1.00 0.00 C ATOM 704 CG MET A 45 -9.634 8.749 -5.248 1.00 0.00 C ATOM 705 SD MET A 45 -9.201 9.133 -3.530 1.00 0.00 S ATOM 706 CE MET A 45 -7.617 9.960 -3.795 1.00 0.00 C ATOM 0 H MET A 45 -9.393 5.756 -6.328 1.00 0.00 H new ATOM 0 HA MET A 45 -10.421 6.584 -3.671 1.00 0.00 H new ATOM 0 HB2 MET A 45 -10.940 7.584 -6.506 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.708 8.193 -5.054 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.750 8.350 -5.745 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.892 9.679 -5.754 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.202 10.267 -2.835 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.926 9.275 -4.286 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.766 10.838 -4.424 1.00 0.00 H new ATOM 716 N TRP A 46 -12.920 5.884 -4.595 1.00 0.00 N ATOM 717 CA TRP A 46 -14.171 5.132 -4.662 1.00 0.00 C ATOM 718 C TRP A 46 -14.222 4.231 -5.911 1.00 0.00 C ATOM 719 O TRP A 46 -13.959 4.727 -7.006 1.00 0.00 O ATOM 720 CB TRP A 46 -15.328 6.140 -4.697 1.00 0.00 C ATOM 721 CG TRP A 46 -16.709 5.575 -4.606 1.00 0.00 C ATOM 722 CD1 TRP A 46 -17.224 4.827 -3.605 1.00 0.00 C ATOM 723 CD2 TRP A 46 -17.787 5.748 -5.558 1.00 0.00 C ATOM 724 NE1 TRP A 46 -18.513 4.445 -3.922 1.00 0.00 N ATOM 725 CE2 TRP A 46 -18.918 5.006 -5.118 1.00 0.00 C ATOM 726 CE3 TRP A 46 -17.909 6.481 -6.749 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -20.113 4.967 -5.853 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -19.101 6.454 -7.498 1.00 0.00 C ATOM 729 CH2 TRP A 46 -20.199 5.693 -7.054 1.00 0.00 C ATOM 0 H TRP A 46 -13.061 6.832 -4.247 1.00 0.00 H new ATOM 0 HA TRP A 46 -14.248 4.482 -3.790 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -15.192 6.843 -3.875 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -15.254 6.712 -5.622 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -16.705 4.567 -2.694 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -19.090 3.830 -3.349 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -17.076 7.075 -7.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -20.954 4.388 -5.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -19.173 7.019 -8.416 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -21.108 5.667 -7.636 1.00 0.00 H new ATOM 740 N PRO A 47 -14.567 2.934 -5.801 1.00 0.00 N ATOM 741 CA PRO A 47 -15.023 2.217 -4.612 1.00 0.00 C ATOM 742 C PRO A 47 -13.892 1.768 -3.676 1.00 0.00 C ATOM 743 O PRO A 47 -14.147 1.025 -2.729 1.00 0.00 O ATOM 744 CB PRO A 47 -15.800 1.019 -5.164 1.00 0.00 C ATOM 745 CG PRO A 47 -15.032 0.683 -6.440 1.00 0.00 C ATOM 746 CD PRO A 47 -14.655 2.069 -6.967 1.00 0.00 C ATOM 0 HA PRO A 47 -15.627 2.869 -3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.808 0.184 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.840 1.271 -5.371 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -14.153 0.072 -6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -15.646 0.131 -7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.706 2.038 -7.501 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -15.404 2.436 -7.669 1.00 0.00 H new ATOM 754 N TYR A 48 -12.653 2.204 -3.910 1.00 0.00 N ATOM 755 CA TYR A 48 -11.517 1.875 -3.068 1.00 0.00 C ATOM 756 C TYR A 48 -11.119 3.083 -2.235 1.00 0.00 C ATOM 757 O TYR A 48 -11.661 4.181 -2.373 1.00 0.00 O ATOM 758 CB TYR A 48 -10.330 1.454 -3.946 1.00 0.00 C ATOM 759 CG TYR A 48 -10.530 0.121 -4.637 1.00 0.00 C ATOM 760 CD1 TYR A 48 -11.202 0.064 -5.872 1.00 0.00 C ATOM 761 CD2 TYR A 48 -10.003 -1.056 -4.074 1.00 0.00 C ATOM 762 CE1 TYR A 48 -11.365 -1.167 -6.530 1.00 0.00 C ATOM 763 CE2 TYR A 48 -10.161 -2.285 -4.736 1.00 0.00 C ATOM 764 CZ TYR A 48 -10.849 -2.343 -5.958 1.00 0.00 C ATOM 765 OH TYR A 48 -10.999 -3.540 -6.590 1.00 0.00 O ATOM 0 H TYR A 48 -12.414 2.802 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.794 1.055 -2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.156 2.222 -4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.433 1.403 -3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.593 0.968 -6.315 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.476 -1.015 -3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.886 -1.210 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.752 -3.187 -4.304 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.581 -4.247 -6.055 1.00 0.00 H new ATOM 775 N GLN A 49 -10.167 2.864 -1.339 1.00 0.00 N ATOM 776 CA GLN A 49 -9.508 3.939 -0.640 1.00 0.00 C ATOM 777 C GLN A 49 -8.106 3.444 -0.316 1.00 0.00 C ATOM 778 O GLN A 49 -7.873 2.258 -0.086 1.00 0.00 O ATOM 779 CB GLN A 49 -10.239 4.375 0.633 1.00 0.00 C ATOM 780 CG GLN A 49 -9.964 5.855 0.952 1.00 0.00 C ATOM 781 CD GLN A 49 -9.883 6.118 2.453 1.00 0.00 C ATOM 782 OE1 GLN A 49 -10.896 6.326 3.116 1.00 0.00 O ATOM 783 NE2 GLN A 49 -8.676 6.123 3.014 1.00 0.00 N ATOM 0 H GLN A 49 -9.836 1.934 -1.082 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.493 4.827 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.311 4.219 0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.919 3.754 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.029 6.158 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.753 6.470 0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.848 5.948 2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.579 6.302 4.013 1.00 0.00 H new ATOM 792 N THR A 50 -7.172 4.377 -0.359 1.00 0.00 N ATOM 793 CA THR A 50 -5.781 4.181 -0.023 1.00 0.00 C ATOM 794 C THR A 50 -5.487 4.755 1.364 1.00 0.00 C ATOM 795 O THR A 50 -6.147 5.706 1.789 1.00 0.00 O ATOM 796 CB THR A 50 -4.910 4.889 -1.075 1.00 0.00 C ATOM 797 OG1 THR A 50 -5.665 5.708 -1.966 1.00 0.00 O ATOM 798 CG2 THR A 50 -4.122 3.882 -1.894 1.00 0.00 C ATOM 0 H THR A 50 -7.377 5.335 -0.643 1.00 0.00 H new ATOM 0 HA THR A 50 -5.556 3.114 -0.012 1.00 0.00 H new ATOM 0 HB THR A 50 -4.234 5.533 -0.512 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.032 6.473 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.514 4.408 -2.630 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.474 3.304 -1.235 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.811 3.210 -2.405 1.00 0.00 H new ATOM 806 N GLU A 51 -4.504 4.178 2.064 1.00 0.00 N ATOM 807 CA GLU A 51 -3.963 4.731 3.307 1.00 0.00 C ATOM 808 C GLU A 51 -2.440 4.642 3.197 1.00 0.00 C ATOM 809 O GLU A 51 -1.925 3.698 2.593 1.00 0.00 O ATOM 810 CB GLU A 51 -4.524 4.055 4.565 1.00 0.00 C ATOM 811 CG GLU A 51 -4.045 2.610 4.670 1.00 0.00 C ATOM 812 CD GLU A 51 -4.862 1.757 5.637 1.00 0.00 C ATOM 813 OE1 GLU A 51 -5.493 2.350 6.538 1.00 0.00 O ATOM 814 OE2 GLU A 51 -4.824 0.521 5.459 1.00 0.00 O ATOM 0 H GLU A 51 -4.059 3.306 1.779 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.272 5.769 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.213 4.610 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.613 4.080 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.078 2.154 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.002 2.605 4.988 1.00 0.00 H new ATOM 821 N CYS A 52 -1.733 5.640 3.736 1.00 0.00 N ATOM 822 CA CYS A 52 -0.293 5.780 3.628 1.00 0.00 C ATOM 823 C CYS A 52 0.405 5.348 4.907 1.00 0.00 C ATOM 824 O CYS A 52 -0.228 5.128 5.938 1.00 0.00 O ATOM 825 CB CYS A 52 0.078 7.248 3.380 1.00 0.00 C ATOM 826 SG CYS A 52 -1.183 8.274 2.619 1.00 0.00 S ATOM 0 H CYS A 52 -2.167 6.390 4.273 1.00 0.00 H new ATOM 0 HA CYS A 52 0.027 5.148 2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.353 7.697 4.335 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.966 7.274 2.748 1.00 0.00 H new ATOM 831 N CYS A 53 1.729 5.269 4.827 1.00 0.00 N ATOM 832 CA CYS A 53 2.616 4.983 5.946 1.00 0.00 C ATOM 833 C CYS A 53 4.016 5.439 5.560 1.00 0.00 C ATOM 834 O CYS A 53 4.261 5.694 4.380 1.00 0.00 O ATOM 835 CB CYS A 53 2.605 3.496 6.302 1.00 0.00 C ATOM 836 SG CYS A 53 3.165 2.400 4.983 1.00 0.00 S ATOM 0 H CYS A 53 2.230 5.407 3.950 1.00 0.00 H new ATOM 0 HA CYS A 53 2.275 5.518 6.832 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.236 3.341 7.177 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.592 3.212 6.586 1.00 0.00 H new ATOM 841 N LYS A 54 4.918 5.544 6.542 1.00 0.00 N ATOM 842 CA LYS A 54 6.304 5.921 6.368 1.00 0.00 C ATOM 843 C LYS A 54 7.206 4.782 6.838 1.00 0.00 C ATOM 844 O LYS A 54 6.897 4.141 7.842 1.00 0.00 O ATOM 845 CB LYS A 54 6.588 7.201 7.161 1.00 0.00 C ATOM 846 CG LYS A 54 6.053 7.201 8.600 1.00 0.00 C ATOM 847 CD LYS A 54 6.597 8.428 9.340 1.00 0.00 C ATOM 848 CE LYS A 54 6.056 8.475 10.773 1.00 0.00 C ATOM 849 NZ LYS A 54 6.578 9.642 11.506 1.00 0.00 N ATOM 0 H LYS A 54 4.681 5.358 7.517 1.00 0.00 H new ATOM 0 HA LYS A 54 6.507 6.112 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.666 7.362 7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.153 8.046 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.963 7.218 8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.356 6.288 9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.686 8.396 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.313 9.336 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.967 8.514 10.751 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.332 7.560 11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.193 9.645 12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.616 9.591 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.293 10.515 11.017 1.00 0.00 H new ATOM 863 N GLY A 55 8.315 4.548 6.130 1.00 0.00 N ATOM 864 CA GLY A 55 9.308 3.548 6.498 1.00 0.00 C ATOM 865 C GLY A 55 9.414 2.413 5.483 1.00 0.00 C ATOM 866 O GLY A 55 8.468 2.099 4.757 1.00 0.00 O ATOM 0 H GLY A 55 8.546 5.056 5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.281 4.030 6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.054 3.133 7.474 1.00 0.00 H new ATOM 870 N ASP A 56 10.597 1.796 5.434 1.00 0.00 N ATOM 871 CA ASP A 56 10.891 0.684 4.549 1.00 0.00 C ATOM 872 C ASP A 56 9.879 -0.417 4.821 1.00 0.00 C ATOM 873 O ASP A 56 9.698 -0.821 5.966 1.00 0.00 O ATOM 874 CB ASP A 56 12.322 0.151 4.748 1.00 0.00 C ATOM 875 CG ASP A 56 12.779 0.154 6.202 1.00 0.00 C ATOM 876 OD1 ASP A 56 12.944 1.281 6.724 1.00 0.00 O ATOM 877 OD2 ASP A 56 12.966 -0.953 6.750 1.00 0.00 O ATOM 0 H ASP A 56 11.386 2.066 6.021 1.00 0.00 H new ATOM 0 HA ASP A 56 10.823 1.026 3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.379 -0.866 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.011 0.756 4.158 1.00 0.00 H new ATOM 882 N ARG A 57 9.213 -0.868 3.759 1.00 0.00 N ATOM 883 CA ARG A 57 8.217 -1.933 3.805 1.00 0.00 C ATOM 884 C ARG A 57 7.076 -1.638 4.797 1.00 0.00 C ATOM 885 O ARG A 57 6.421 -2.571 5.259 1.00 0.00 O ATOM 886 CB ARG A 57 8.924 -3.241 4.198 1.00 0.00 C ATOM 887 CG ARG A 57 10.074 -3.618 3.253 1.00 0.00 C ATOM 888 CD ARG A 57 11.045 -4.587 3.932 1.00 0.00 C ATOM 889 NE ARG A 57 11.791 -3.899 4.996 1.00 0.00 N ATOM 890 CZ ARG A 57 12.795 -4.430 5.705 1.00 0.00 C ATOM 891 NH1 ARG A 57 13.165 -5.700 5.508 1.00 0.00 N ATOM 892 NH2 ARG A 57 13.426 -3.678 6.612 1.00 0.00 N ATOM 0 H ARG A 57 9.356 -0.493 2.821 1.00 0.00 H new ATOM 0 HA ARG A 57 7.760 -2.014 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.313 -3.145 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.194 -4.050 4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.672 -4.074 2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.607 -2.718 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.495 -5.430 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.739 -4.993 3.196 1.00 0.00 H new ATOM 0 HE ARG A 57 11.522 -2.939 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.682 -6.270 4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.931 -6.098 6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.141 -2.710 6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.192 -4.073 7.158 1.00 0.00 H new ATOM 906 N CYS A 58 6.799 -0.369 5.126 1.00 0.00 N ATOM 907 CA CYS A 58 5.770 -0.040 6.110 1.00 0.00 C ATOM 908 C CYS A 58 4.367 -0.487 5.694 1.00 0.00 C ATOM 909 O CYS A 58 3.535 -0.781 6.552 1.00 0.00 O ATOM 910 CB CYS A 58 5.772 1.466 6.373 1.00 0.00 C ATOM 911 SG CYS A 58 5.246 2.512 4.989 1.00 0.00 S ATOM 0 H CYS A 58 7.273 0.440 4.725 1.00 0.00 H new ATOM 0 HA CYS A 58 6.018 -0.589 7.018 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.121 1.668 7.224 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.779 1.763 6.665 1.00 0.00 H new ATOM 916 N ASN A 59 4.081 -0.534 4.392 1.00 0.00 N ATOM 917 CA ASN A 59 2.773 -0.886 3.850 1.00 0.00 C ATOM 918 C ASN A 59 2.597 -2.404 3.850 1.00 0.00 C ATOM 919 O ASN A 59 2.440 -3.025 2.802 1.00 0.00 O ATOM 920 CB ASN A 59 2.596 -0.271 2.451 1.00 0.00 C ATOM 921 CG ASN A 59 3.665 -0.708 1.454 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.768 -1.093 1.835 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.363 -0.613 0.164 1.00 0.00 N ATOM 0 H ASN A 59 4.770 -0.323 3.670 1.00 0.00 H new ATOM 0 HA ASN A 59 1.989 -0.471 4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.615 -0.546 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.612 0.816 2.536 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.056 -0.863 -0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.438 -0.290 -0.121 1.00 0.00 H new ATOM 930 N LYS A 60 2.642 -2.977 5.050 1.00 0.00 N ATOM 931 CA LYS A 60 2.463 -4.400 5.281 1.00 0.00 C ATOM 932 C LYS A 60 1.040 -4.826 4.905 1.00 0.00 C ATOM 933 O LYS A 60 0.130 -3.973 4.983 1.00 0.00 O ATOM 934 CB LYS A 60 2.786 -4.726 6.742 1.00 0.00 C ATOM 935 CG LYS A 60 4.252 -4.390 7.060 1.00 0.00 C ATOM 936 CD LYS A 60 4.680 -4.891 8.445 1.00 0.00 C ATOM 937 CE LYS A 60 3.918 -4.184 9.573 1.00 0.00 C ATOM 938 NZ LYS A 60 4.428 -4.582 10.896 1.00 0.00 N ATOM 939 OXT LYS A 60 0.880 -6.006 4.518 1.00 0.00 O ATOM 0 H LYS A 60 2.808 -2.448 5.906 1.00 0.00 H new ATOM 0 HA LYS A 60 3.148 -4.963 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.127 -4.161 7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.599 -5.783 6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.896 -4.834 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.394 -3.311 7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.509 -5.966 8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.750 -4.730 8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.010 -3.104 9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.857 -4.423 9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.893 -4.087 11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.317 -5.609 11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.435 -4.331 10.970 1.00 0.00 H new