USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=17 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 180:sc= 0.0378 USER MOD Set 1.2: A 30 HIS : no HD1:sc= 0 X(o=0.038,f=-0.053) USER MOD Set 2.1: A 23 TYR OH : rot 30:sc= 0.923 USER MOD Set 2.2: A 43 THR OG1 : rot 96:sc= 1.14 USER MOD Set 3.1: A 20 ASN : amide:sc= 0.838 K(o=1.8,f=-2.6!) USER MOD Set 3.2: A 21 THR OG1 : rot -79:sc= 0.969 USER MOD Set 4.1: A 5 SER OG : rot 160:sc= 0.395 USER MOD Set 4.2: A 15 LYS NZ :NH3+ -138:sc= 0.189 (180deg=-1.26) USER MOD Single : A 1 ARG N :NH3+ 142:sc= 2.47 (180deg=0.0188) USER MOD Single : A 4 TYR OH : rot 136:sc= 1.17 USER MOD Single : A 14 THR OG1 : rot 33:sc= 1.4 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00412 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -158:sc= -0.0593 (180deg=-0.771) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -28:sc= 0.449 USER MOD Single : A 45 MET CE :methyl -173:sc= 0 (180deg=-0.0719) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 2.28 K(o=2.3,f=-8!) USER MOD Single : A 50 THR OG1 : rot 173:sc= -0.0486 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.775 K(o=0.78,f=-5.5!) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0.713 (180deg=0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.442 4.243 -0.338 1.00 0.00 N ATOM 2 CA ARG A 1 11.675 3.416 0.602 1.00 0.00 C ATOM 3 C ARG A 1 11.248 2.113 -0.074 1.00 0.00 C ATOM 4 O ARG A 1 10.892 2.144 -1.250 1.00 0.00 O ATOM 5 CB ARG A 1 10.428 4.188 1.063 1.00 0.00 C ATOM 6 CG ARG A 1 9.510 3.426 2.013 1.00 0.00 C ATOM 7 CD ARG A 1 10.153 3.219 3.380 1.00 0.00 C ATOM 8 NE ARG A 1 10.235 4.476 4.124 1.00 0.00 N ATOM 9 CZ ARG A 1 11.089 4.791 5.107 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.058 3.960 5.512 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.939 5.981 5.693 1.00 0.00 N ATOM 0 H1 ARG A 1 12.195 5.244 -0.201 1.00 0.00 H new ATOM 0 H2 ARG A 1 13.459 4.111 -0.167 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.216 3.961 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 1 12.300 3.181 1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.749 5.107 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.854 4.479 0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 1 8.575 3.973 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.261 2.458 1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.574 2.493 3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.152 2.802 3.255 1.00 0.00 H new ATOM 0 HE ARG A 1 9.563 5.198 3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.167 3.048 5.068 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.688 4.239 6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.196 6.610 5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.567 6.262 6.446 1.00 0.00 H new ATOM 27 N ILE A 2 11.300 0.991 0.646 1.00 0.00 N ATOM 28 CA ILE A 2 10.817 -0.299 0.169 1.00 0.00 C ATOM 29 C ILE A 2 9.304 -0.310 0.387 1.00 0.00 C ATOM 30 O ILE A 2 8.882 -0.100 1.523 1.00 0.00 O ATOM 31 CB ILE A 2 11.480 -1.426 0.986 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.000 -1.494 0.757 1.00 0.00 C ATOM 33 CG2 ILE A 2 10.843 -2.783 0.663 1.00 0.00 C ATOM 34 CD1 ILE A 2 13.384 -2.163 -0.562 1.00 0.00 C ATOM 0 H ILE A 2 11.685 0.956 1.590 1.00 0.00 H new ATOM 0 HA ILE A 2 11.057 -0.453 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 2 11.312 -1.192 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.409 -0.484 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.460 -2.040 1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.328 -3.562 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.781 -2.753 0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.967 -3.000 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.469 -2.178 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.005 -3.185 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 2 12.952 -1.604 -1.392 1.00 0.00 H new ATOM 46 N CYS A 3 8.488 -0.552 -0.646 1.00 0.00 N ATOM 47 CA CYS A 3 7.033 -0.603 -0.495 1.00 0.00 C ATOM 48 C CYS A 3 6.471 -1.786 -1.258 1.00 0.00 C ATOM 49 O CYS A 3 6.992 -2.163 -2.307 1.00 0.00 O ATOM 50 CB CYS A 3 6.351 0.656 -1.032 1.00 0.00 C ATOM 51 SG CYS A 3 6.966 2.221 -0.376 1.00 0.00 S ATOM 0 H CYS A 3 8.815 -0.716 -1.598 1.00 0.00 H new ATOM 0 HA CYS A 3 6.835 -0.690 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.459 0.671 -2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.284 0.588 -0.819 1.00 0.00 H new ATOM 56 N TYR A 4 5.391 -2.368 -0.743 1.00 0.00 N ATOM 57 CA TYR A 4 4.738 -3.481 -1.403 1.00 0.00 C ATOM 58 C TYR A 4 4.149 -3.077 -2.758 1.00 0.00 C ATOM 59 O TYR A 4 3.500 -2.040 -2.877 1.00 0.00 O ATOM 60 CB TYR A 4 3.583 -3.986 -0.533 1.00 0.00 C ATOM 61 CG TYR A 4 3.891 -5.052 0.496 1.00 0.00 C ATOM 62 CD1 TYR A 4 4.932 -4.897 1.433 1.00 0.00 C ATOM 63 CD2 TYR A 4 2.998 -6.130 0.625 1.00 0.00 C ATOM 64 CE1 TYR A 4 5.076 -5.827 2.480 1.00 0.00 C ATOM 65 CE2 TYR A 4 3.125 -7.027 1.690 1.00 0.00 C ATOM 66 CZ TYR A 4 4.139 -6.860 2.635 1.00 0.00 C ATOM 67 OH TYR A 4 4.115 -7.612 3.767 1.00 0.00 O ATOM 0 H TYR A 4 4.953 -2.082 0.133 1.00 0.00 H new ATOM 0 HA TYR A 4 5.494 -4.252 -1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.157 -3.129 -0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 4 2.809 -4.373 -1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.618 -4.067 1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 4 2.211 -6.266 -0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 4 5.908 -5.745 3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 4 2.435 -7.853 1.782 1.00 0.00 H new ATOM 0 HH TYR A 4 3.188 -7.724 4.065 1.00 0.00 H new ATOM 77 N SER A 5 4.337 -3.954 -3.746 1.00 0.00 N ATOM 78 CA SER A 5 3.756 -3.865 -5.087 1.00 0.00 C ATOM 79 C SER A 5 2.739 -4.997 -5.292 1.00 0.00 C ATOM 80 O SER A 5 2.522 -5.437 -6.417 1.00 0.00 O ATOM 81 CB SER A 5 4.868 -3.986 -6.141 1.00 0.00 C ATOM 82 OG SER A 5 6.085 -3.480 -5.637 1.00 0.00 O ATOM 0 H SER A 5 4.923 -4.781 -3.628 1.00 0.00 H new ATOM 0 HA SER A 5 3.254 -2.903 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.993 -5.030 -6.428 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.585 -3.440 -7.041 1.00 0.00 H new ATOM 0 HG SER A 5 6.831 -3.840 -6.161 1.00 0.00 H new ATOM 215 N THR A 14 8.218 -6.464 -3.086 1.00 0.00 N ATOM 216 CA THR A 14 8.442 -5.184 -2.428 1.00 0.00 C ATOM 217 C THR A 14 9.449 -4.386 -3.261 1.00 0.00 C ATOM 218 O THR A 14 10.589 -4.831 -3.387 1.00 0.00 O ATOM 219 CB THR A 14 8.963 -5.412 -1.006 1.00 0.00 C ATOM 220 OG1 THR A 14 10.161 -6.164 -1.028 1.00 0.00 O ATOM 221 CG2 THR A 14 7.958 -6.151 -0.123 1.00 0.00 C ATOM 0 HA THR A 14 7.510 -4.624 -2.354 1.00 0.00 H new ATOM 0 HB THR A 14 9.136 -4.421 -0.587 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.671 -5.943 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.379 -6.286 0.873 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.039 -5.570 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.738 -7.126 -0.559 1.00 0.00 H new ATOM 229 N LYS A 15 9.052 -3.234 -3.811 1.00 0.00 N ATOM 230 CA LYS A 15 9.919 -2.431 -4.678 1.00 0.00 C ATOM 231 C LYS A 15 10.550 -1.242 -3.945 1.00 0.00 C ATOM 232 O LYS A 15 9.911 -0.599 -3.111 1.00 0.00 O ATOM 233 CB LYS A 15 9.141 -1.966 -5.918 1.00 0.00 C ATOM 234 CG LYS A 15 7.984 -1.001 -5.621 1.00 0.00 C ATOM 235 CD LYS A 15 7.157 -0.799 -6.901 1.00 0.00 C ATOM 236 CE LYS A 15 5.842 -0.042 -6.669 1.00 0.00 C ATOM 237 NZ LYS A 15 5.064 -0.614 -5.556 1.00 0.00 N ATOM 0 H LYS A 15 8.125 -2.834 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 15 10.744 -3.069 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.834 -1.481 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.744 -2.842 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.355 -1.401 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.372 -0.045 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.757 -0.253 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.934 -1.773 -7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.059 1.005 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.244 -0.067 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.058 -0.648 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.402 -1.577 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.182 -0.021 -4.710 1.00 0.00 H new ATOM 251 N THR A 16 11.808 -0.950 -4.287 1.00 0.00 N ATOM 252 CA THR A 16 12.613 0.133 -3.745 1.00 0.00 C ATOM 253 C THR A 16 12.290 1.441 -4.476 1.00 0.00 C ATOM 254 O THR A 16 12.925 1.773 -5.474 1.00 0.00 O ATOM 255 CB THR A 16 14.098 -0.245 -3.904 1.00 0.00 C ATOM 256 OG1 THR A 16 14.269 -1.611 -3.581 1.00 0.00 O ATOM 257 CG2 THR A 16 14.980 0.602 -2.981 1.00 0.00 C ATOM 0 H THR A 16 12.313 -1.495 -4.986 1.00 0.00 H new ATOM 0 HA THR A 16 12.392 0.285 -2.689 1.00 0.00 H new ATOM 0 HB THR A 16 14.394 -0.059 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.213 -1.856 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.024 0.316 -3.112 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.859 1.656 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.686 0.437 -1.944 1.00 0.00 H new ATOM 265 N CYS A 17 11.304 2.192 -3.987 1.00 0.00 N ATOM 266 CA CYS A 17 10.920 3.469 -4.580 1.00 0.00 C ATOM 267 C CYS A 17 11.786 4.592 -4.018 1.00 0.00 C ATOM 268 O CYS A 17 12.419 4.434 -2.975 1.00 0.00 O ATOM 269 CB CYS A 17 9.448 3.756 -4.284 1.00 0.00 C ATOM 270 SG CYS A 17 8.307 2.940 -5.413 1.00 0.00 S ATOM 0 H CYS A 17 10.751 1.932 -3.170 1.00 0.00 H new ATOM 0 HA CYS A 17 11.067 3.415 -5.659 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.224 3.441 -3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.281 4.832 -4.329 1.00 0.00 H new ATOM 275 N VAL A 18 11.777 5.749 -4.685 1.00 0.00 N ATOM 276 CA VAL A 18 12.529 6.929 -4.270 1.00 0.00 C ATOM 277 C VAL A 18 11.908 7.550 -3.009 1.00 0.00 C ATOM 278 O VAL A 18 12.620 8.125 -2.188 1.00 0.00 O ATOM 279 CB VAL A 18 12.561 7.938 -5.436 1.00 0.00 C ATOM 280 CG1 VAL A 18 13.334 9.211 -5.067 1.00 0.00 C ATOM 281 CG2 VAL A 18 13.221 7.316 -6.676 1.00 0.00 C ATOM 0 H VAL A 18 11.239 5.891 -5.540 1.00 0.00 H new ATOM 0 HA VAL A 18 13.551 6.645 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 18 11.525 8.199 -5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.333 9.896 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.857 9.691 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.361 8.952 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.233 8.045 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 18 14.243 7.024 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.656 6.437 -6.987 1.00 0.00 H new ATOM 291 N GLU A 19 10.584 7.429 -2.856 1.00 0.00 N ATOM 292 CA GLU A 19 9.820 8.002 -1.751 1.00 0.00 C ATOM 293 C GLU A 19 10.345 7.572 -0.375 1.00 0.00 C ATOM 294 O GLU A 19 11.128 6.628 -0.256 1.00 0.00 O ATOM 295 CB GLU A 19 8.339 7.589 -1.871 1.00 0.00 C ATOM 296 CG GLU A 19 7.748 7.776 -3.276 1.00 0.00 C ATOM 297 CD GLU A 19 8.061 9.148 -3.861 1.00 0.00 C ATOM 298 OE1 GLU A 19 7.525 10.133 -3.310 1.00 0.00 O ATOM 299 OE2 GLU A 19 8.842 9.182 -4.837 1.00 0.00 O ATOM 0 H GLU A 19 10.002 6.915 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 19 9.929 9.084 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.240 6.542 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.752 8.171 -1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.140 7.004 -3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.667 7.640 -3.233 1.00 0.00 H new ATOM 306 N ASN A 20 9.858 8.252 0.669 1.00 0.00 N ATOM 307 CA ASN A 20 10.147 7.977 2.077 1.00 0.00 C ATOM 308 C ASN A 20 8.945 7.309 2.760 1.00 0.00 C ATOM 309 O ASN A 20 9.007 7.015 3.953 1.00 0.00 O ATOM 310 CB ASN A 20 10.445 9.295 2.811 1.00 0.00 C ATOM 311 CG ASN A 20 9.152 10.035 3.162 1.00 0.00 C ATOM 312 OD1 ASN A 20 8.282 10.198 2.309 1.00 0.00 O ATOM 313 ND2 ASN A 20 8.973 10.419 4.424 1.00 0.00 N ATOM 0 H ASN A 20 9.225 9.042 0.548 1.00 0.00 H new ATOM 0 HA ASN A 20 11.008 7.310 2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.008 9.089 3.721 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.072 9.930 2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.097 10.861 4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.712 10.272 5.112 1.00 0.00 H new ATOM 320 N THR A 21 7.845 7.118 2.030 1.00 0.00 N ATOM 321 CA THR A 21 6.576 6.618 2.521 1.00 0.00 C ATOM 322 C THR A 21 6.016 5.594 1.530 1.00 0.00 C ATOM 323 O THR A 21 6.534 5.466 0.417 1.00 0.00 O ATOM 324 CB THR A 21 5.630 7.828 2.659 1.00 0.00 C ATOM 325 OG1 THR A 21 5.908 8.792 1.655 1.00 0.00 O ATOM 326 CG2 THR A 21 5.755 8.521 4.015 1.00 0.00 C ATOM 0 H THR A 21 7.822 7.321 1.031 1.00 0.00 H new ATOM 0 HA THR A 21 6.688 6.122 3.485 1.00 0.00 H new ATOM 0 HB THR A 21 4.619 7.433 2.556 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.691 9.320 1.916 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.067 9.365 4.057 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.512 7.814 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.776 8.878 4.148 1.00 0.00 H new ATOM 334 N CYS A 22 4.980 4.855 1.934 1.00 0.00 N ATOM 335 CA CYS A 22 4.250 3.897 1.126 1.00 0.00 C ATOM 336 C CYS A 22 2.776 4.034 1.462 1.00 0.00 C ATOM 337 O CYS A 22 2.453 4.441 2.575 1.00 0.00 O ATOM 338 CB CYS A 22 4.627 2.460 1.474 1.00 0.00 C ATOM 339 SG CYS A 22 6.377 2.064 1.602 1.00 0.00 S ATOM 0 H CYS A 22 4.615 4.918 2.884 1.00 0.00 H new ATOM 0 HA CYS A 22 4.479 4.096 0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.156 2.210 2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.189 1.806 0.720 1.00 0.00 H new ATOM 344 N TYR A 23 1.892 3.667 0.537 1.00 0.00 N ATOM 345 CA TYR A 23 0.468 3.582 0.811 1.00 0.00 C ATOM 346 C TYR A 23 -0.010 2.141 0.707 1.00 0.00 C ATOM 347 O TYR A 23 0.625 1.281 0.085 1.00 0.00 O ATOM 348 CB TYR A 23 -0.354 4.501 -0.083 1.00 0.00 C ATOM 349 CG TYR A 23 -0.286 4.254 -1.574 1.00 0.00 C ATOM 350 CD1 TYR A 23 -1.237 3.418 -2.192 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.505 5.102 -2.364 1.00 0.00 C ATOM 352 CE1 TYR A 23 -1.448 3.500 -3.579 1.00 0.00 C ATOM 353 CE2 TYR A 23 0.257 5.222 -3.740 1.00 0.00 C ATOM 354 CZ TYR A 23 -0.745 4.447 -4.341 1.00 0.00 C ATOM 355 OH TYR A 23 -1.070 4.656 -5.645 1.00 0.00 O ATOM 0 H TYR A 23 2.146 3.422 -0.420 1.00 0.00 H new ATOM 0 HA TYR A 23 0.315 3.927 1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.397 4.428 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.038 5.527 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.804 2.714 -1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.308 5.665 -1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.151 2.835 -4.059 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.838 5.911 -4.336 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.025 4.478 -5.777 1.00 0.00 H new ATOM 365 N LYS A 24 -1.148 1.907 1.355 1.00 0.00 N ATOM 366 CA LYS A 24 -1.859 0.636 1.366 1.00 0.00 C ATOM 367 C LYS A 24 -3.330 0.935 1.099 1.00 0.00 C ATOM 368 O LYS A 24 -3.930 1.754 1.801 1.00 0.00 O ATOM 369 CB LYS A 24 -1.614 -0.130 2.672 1.00 0.00 C ATOM 370 CG LYS A 24 -1.985 0.638 3.945 1.00 0.00 C ATOM 371 CD LYS A 24 -1.501 -0.161 5.160 1.00 0.00 C ATOM 372 CE LYS A 24 -1.891 0.538 6.465 1.00 0.00 C ATOM 373 NZ LYS A 24 -1.365 -0.180 7.638 1.00 0.00 N ATOM 0 H LYS A 24 -1.616 2.626 1.907 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.489 -0.029 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.184 -1.058 2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.560 -0.405 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.527 1.627 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.064 0.787 3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.931 -1.162 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.418 -0.278 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.509 1.559 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.977 0.604 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.647 0.319 8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.749 -1.146 7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.327 -0.221 7.584 1.00 0.00 H new ATOM 387 N MET A 25 -3.861 0.381 0.006 1.00 0.00 N ATOM 388 CA MET A 25 -5.203 0.623 -0.506 1.00 0.00 C ATOM 389 C MET A 25 -6.127 -0.561 -0.225 1.00 0.00 C ATOM 390 O MET A 25 -5.754 -1.714 -0.442 1.00 0.00 O ATOM 391 CB MET A 25 -5.122 0.879 -2.009 1.00 0.00 C ATOM 392 CG MET A 25 -6.463 1.259 -2.659 1.00 0.00 C ATOM 393 SD MET A 25 -6.482 1.269 -4.471 1.00 0.00 S ATOM 394 CE MET A 25 -4.987 2.219 -4.805 1.00 0.00 C ATOM 0 H MET A 25 -3.338 -0.279 -0.570 1.00 0.00 H new ATOM 0 HA MET A 25 -5.619 1.494 -0.000 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.404 1.678 -2.191 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.735 -0.015 -2.498 1.00 0.00 H new ATOM 0 HG2 MET A 25 -7.225 0.563 -2.310 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.750 2.249 -2.305 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.045 2.650 -5.805 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.892 3.019 -4.070 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.118 1.564 -4.742 1.00 0.00 H new ATOM 404 N PHE A 26 -7.357 -0.255 0.186 1.00 0.00 N ATOM 405 CA PHE A 26 -8.426 -1.179 0.529 1.00 0.00 C ATOM 406 C PHE A 26 -9.738 -0.646 -0.052 1.00 0.00 C ATOM 407 O PHE A 26 -9.785 0.467 -0.579 1.00 0.00 O ATOM 408 CB PHE A 26 -8.500 -1.302 2.061 1.00 0.00 C ATOM 409 CG PHE A 26 -8.266 0.005 2.800 1.00 0.00 C ATOM 410 CD1 PHE A 26 -9.320 0.918 2.997 1.00 0.00 C ATOM 411 CD2 PHE A 26 -6.957 0.367 3.167 1.00 0.00 C ATOM 412 CE1 PHE A 26 -9.070 2.163 3.599 1.00 0.00 C ATOM 413 CE2 PHE A 26 -6.704 1.629 3.727 1.00 0.00 C ATOM 414 CZ PHE A 26 -7.760 2.523 3.957 1.00 0.00 C ATOM 0 H PHE A 26 -7.649 0.716 0.294 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.240 -2.169 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.480 -1.692 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.761 -2.032 2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.322 0.661 2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.144 -0.328 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.887 2.844 3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.693 1.912 3.981 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.567 3.485 4.408 1.00 0.00 H new ATOM 424 N ILE A 27 -10.816 -1.432 0.014 1.00 0.00 N ATOM 425 CA ILE A 27 -12.113 -0.946 -0.437 1.00 0.00 C ATOM 426 C ILE A 27 -12.608 0.008 0.652 1.00 0.00 C ATOM 427 O ILE A 27 -12.469 -0.278 1.839 1.00 0.00 O ATOM 428 CB ILE A 27 -13.083 -2.106 -0.705 1.00 0.00 C ATOM 429 CG1 ILE A 27 -12.566 -2.954 -1.879 1.00 0.00 C ATOM 430 CG2 ILE A 27 -14.482 -1.572 -1.050 1.00 0.00 C ATOM 431 CD1 ILE A 27 -13.375 -4.236 -2.096 1.00 0.00 C ATOM 0 H ILE A 27 -10.814 -2.388 0.369 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.040 -0.422 -1.390 1.00 0.00 H new ATOM 0 HB ILE A 27 -13.147 -2.717 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.592 -2.356 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.523 -3.216 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.155 -2.409 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.861 -0.980 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -14.423 -0.948 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.960 -4.790 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -13.328 -4.852 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.413 -3.980 -2.306 1.00 0.00 H new ATOM 443 N ARG A 28 -13.172 1.146 0.249 1.00 0.00 N ATOM 444 CA ARG A 28 -13.652 2.194 1.139 1.00 0.00 C ATOM 445 C ARG A 28 -14.514 1.645 2.267 1.00 0.00 C ATOM 446 O ARG A 28 -14.296 1.943 3.442 1.00 0.00 O ATOM 447 CB ARG A 28 -14.445 3.187 0.287 1.00 0.00 C ATOM 448 CG ARG A 28 -14.928 4.423 1.054 1.00 0.00 C ATOM 449 CD ARG A 28 -15.518 5.444 0.071 1.00 0.00 C ATOM 450 NE ARG A 28 -16.507 4.831 -0.829 1.00 0.00 N ATOM 451 CZ ARG A 28 -17.771 4.519 -0.507 1.00 0.00 C ATOM 452 NH1 ARG A 28 -18.248 4.794 0.711 1.00 0.00 N ATOM 453 NH2 ARG A 28 -18.552 3.927 -1.416 1.00 0.00 N ATOM 0 H ARG A 28 -13.310 1.368 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.802 2.679 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.823 3.511 -0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.309 2.676 -0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.679 4.136 1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.099 4.869 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.988 6.255 0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.715 5.886 -0.519 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.205 4.625 -1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.650 5.244 1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.210 4.554 0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.185 3.717 -2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.515 3.685 -1.181 1.00 0.00 H new ATOM 467 N THR A 29 -15.521 0.878 1.867 1.00 0.00 N ATOM 468 CA THR A 29 -16.464 0.228 2.754 1.00 0.00 C ATOM 469 C THR A 29 -15.799 -0.972 3.433 1.00 0.00 C ATOM 470 O THR A 29 -15.753 -1.068 4.658 1.00 0.00 O ATOM 471 CB THR A 29 -17.672 -0.216 1.917 1.00 0.00 C ATOM 472 OG1 THR A 29 -17.209 -0.887 0.758 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.506 0.992 1.478 1.00 0.00 C ATOM 0 H THR A 29 -15.705 0.688 0.882 1.00 0.00 H new ATOM 0 HA THR A 29 -16.791 0.912 3.537 1.00 0.00 H new ATOM 0 HB THR A 29 -18.292 -0.874 2.526 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.975 -1.175 0.219 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.356 0.652 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.866 1.525 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.890 1.660 0.877 1.00 0.00 H new ATOM 481 N HIS A 30 -15.290 -1.906 2.630 1.00 0.00 N ATOM 482 CA HIS A 30 -14.686 -3.138 3.101 1.00 0.00 C ATOM 483 C HIS A 30 -13.206 -2.885 3.371 1.00 0.00 C ATOM 484 O HIS A 30 -12.318 -3.399 2.692 1.00 0.00 O ATOM 485 CB HIS A 30 -14.952 -4.244 2.077 1.00 0.00 C ATOM 486 CG HIS A 30 -16.374 -4.266 1.580 1.00 0.00 C ATOM 487 ND1 HIS A 30 -17.466 -4.090 2.417 1.00 0.00 N ATOM 488 CD2 HIS A 30 -16.900 -4.390 0.319 1.00 0.00 C ATOM 489 CE1 HIS A 30 -18.564 -4.082 1.643 1.00 0.00 C ATOM 490 NE2 HIS A 30 -18.285 -4.247 0.349 1.00 0.00 N ATOM 0 H HIS A 30 -15.289 -1.819 1.614 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.123 -3.475 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -14.280 -4.114 1.229 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -14.716 -5.209 2.525 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -16.320 -4.573 -0.574 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -19.565 -3.956 2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -18.935 -4.264 -0.437 1.00 0.00 H new ATOM 498 N ARG A 31 -12.966 -2.077 4.400 1.00 0.00 N ATOM 499 CA ARG A 31 -11.645 -1.659 4.832 1.00 0.00 C ATOM 500 C ARG A 31 -10.779 -2.871 5.173 1.00 0.00 C ATOM 501 O ARG A 31 -9.585 -2.896 4.885 1.00 0.00 O ATOM 502 CB ARG A 31 -11.800 -0.712 6.029 1.00 0.00 C ATOM 503 CG ARG A 31 -12.720 0.461 5.667 1.00 0.00 C ATOM 504 CD ARG A 31 -12.831 1.499 6.785 1.00 0.00 C ATOM 505 NE ARG A 31 -11.688 2.414 6.795 1.00 0.00 N ATOM 506 CZ ARG A 31 -11.537 3.436 5.942 1.00 0.00 C ATOM 507 NH1 ARG A 31 -12.357 3.608 4.896 1.00 0.00 N ATOM 508 NH2 ARG A 31 -10.544 4.307 6.130 1.00 0.00 N ATOM 0 H ARG A 31 -13.714 -1.685 4.972 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.137 -1.129 4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.211 -1.255 6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.823 -0.336 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.345 0.945 4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.714 0.078 5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.752 2.069 6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.898 0.991 7.747 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.961 2.264 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.120 2.951 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.218 4.396 4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.907 4.192 6.918 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.422 5.088 5.485 1.00 0.00 H new ATOM 522 N GLU A 32 -11.397 -3.917 5.725 1.00 0.00 N ATOM 523 CA GLU A 32 -10.759 -5.157 6.152 1.00 0.00 C ATOM 524 C GLU A 32 -10.328 -6.080 4.999 1.00 0.00 C ATOM 525 O GLU A 32 -10.318 -7.300 5.143 1.00 0.00 O ATOM 526 CB GLU A 32 -11.747 -5.877 7.078 1.00 0.00 C ATOM 527 CG GLU A 32 -13.069 -6.183 6.349 1.00 0.00 C ATOM 528 CD GLU A 32 -14.203 -5.254 6.773 1.00 0.00 C ATOM 529 OE1 GLU A 32 -14.110 -4.060 6.414 1.00 0.00 O ATOM 530 OE2 GLU A 32 -15.133 -5.749 7.444 1.00 0.00 O ATOM 0 H GLU A 32 -12.403 -3.919 5.893 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.829 -4.903 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.303 -6.805 7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.946 -5.259 7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.915 -6.095 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.357 -7.215 6.546 1.00 0.00 H new ATOM 537 N TYR A 33 -9.971 -5.502 3.859 1.00 0.00 N ATOM 538 CA TYR A 33 -9.520 -6.203 2.671 1.00 0.00 C ATOM 539 C TYR A 33 -8.521 -5.317 1.930 1.00 0.00 C ATOM 540 O TYR A 33 -8.872 -4.227 1.478 1.00 0.00 O ATOM 541 CB TYR A 33 -10.722 -6.542 1.781 1.00 0.00 C ATOM 542 CG TYR A 33 -10.325 -6.974 0.382 1.00 0.00 C ATOM 543 CD1 TYR A 33 -9.702 -8.218 0.176 1.00 0.00 C ATOM 544 CD2 TYR A 33 -10.426 -6.060 -0.683 1.00 0.00 C ATOM 545 CE1 TYR A 33 -9.188 -8.547 -1.091 1.00 0.00 C ATOM 546 CE2 TYR A 33 -9.917 -6.390 -1.949 1.00 0.00 C ATOM 547 CZ TYR A 33 -9.282 -7.625 -2.149 1.00 0.00 C ATOM 548 OH TYR A 33 -8.788 -7.937 -3.381 1.00 0.00 O ATOM 0 H TYR A 33 -9.990 -4.490 3.735 1.00 0.00 H new ATOM 0 HA TYR A 33 -9.031 -7.138 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.300 -7.338 2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -11.374 -5.671 1.714 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.618 -8.921 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.897 -5.101 -0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.721 -9.508 -1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.014 -5.694 -2.769 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.938 -7.187 -3.993 1.00 0.00 H new ATOM 558 N ILE A 34 -7.283 -5.794 1.775 1.00 0.00 N ATOM 559 CA ILE A 34 -6.257 -5.064 1.049 1.00 0.00 C ATOM 560 C ILE A 34 -6.532 -5.289 -0.436 1.00 0.00 C ATOM 561 O ILE A 34 -6.635 -6.424 -0.893 1.00 0.00 O ATOM 562 CB ILE A 34 -4.850 -5.555 1.438 1.00 0.00 C ATOM 563 CG1 ILE A 34 -4.594 -5.489 2.956 1.00 0.00 C ATOM 564 CG2 ILE A 34 -3.789 -4.733 0.690 1.00 0.00 C ATOM 565 CD1 ILE A 34 -4.762 -4.100 3.583 1.00 0.00 C ATOM 0 H ILE A 34 -6.972 -6.691 2.148 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.287 -4.002 1.291 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.783 -6.604 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.274 -6.180 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.581 -5.840 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.795 -5.083 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.928 -4.851 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.890 -3.681 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.561 -4.157 4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.063 -3.404 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.782 -3.750 3.424 1.00 0.00 H new ATOM 577 N SER A 35 -6.686 -4.194 -1.173 1.00 0.00 N ATOM 578 CA SER A 35 -6.968 -4.164 -2.592 1.00 0.00 C ATOM 579 C SER A 35 -5.687 -4.004 -3.400 1.00 0.00 C ATOM 580 O SER A 35 -5.496 -4.694 -4.397 1.00 0.00 O ATOM 581 CB SER A 35 -7.885 -2.973 -2.850 1.00 0.00 C ATOM 582 OG SER A 35 -9.092 -3.146 -2.137 1.00 0.00 O ATOM 0 H SER A 35 -6.613 -3.260 -0.770 1.00 0.00 H new ATOM 0 HA SER A 35 -7.438 -5.099 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.396 -2.050 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.090 -2.882 -3.917 1.00 0.00 H new ATOM 0 HG SER A 35 -9.272 -4.103 -2.026 1.00 0.00 H new ATOM 588 N GLU A 36 -4.832 -3.064 -2.990 1.00 0.00 N ATOM 589 CA GLU A 36 -3.589 -2.752 -3.684 1.00 0.00 C ATOM 590 C GLU A 36 -2.654 -2.065 -2.690 1.00 0.00 C ATOM 591 O GLU A 36 -3.073 -1.742 -1.584 1.00 0.00 O ATOM 592 CB GLU A 36 -3.930 -1.870 -4.902 1.00 0.00 C ATOM 593 CG GLU A 36 -2.745 -1.505 -5.805 1.00 0.00 C ATOM 594 CD GLU A 36 -3.228 -0.851 -7.095 1.00 0.00 C ATOM 595 OE1 GLU A 36 -3.559 0.353 -7.031 1.00 0.00 O ATOM 596 OE2 GLU A 36 -3.268 -1.568 -8.118 1.00 0.00 O ATOM 0 H GLU A 36 -4.989 -2.495 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.080 -3.642 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.678 -2.386 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.389 -0.948 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.075 -0.827 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.171 -2.401 -6.039 1.00 0.00 H new ATOM 603 N ARG A 37 -1.391 -1.860 -3.057 1.00 0.00 N ATOM 604 CA ARG A 37 -0.394 -1.155 -2.266 1.00 0.00 C ATOM 605 C ARG A 37 0.455 -0.360 -3.245 1.00 0.00 C ATOM 606 O ARG A 37 0.527 -0.726 -4.419 1.00 0.00 O ATOM 607 CB ARG A 37 0.440 -2.144 -1.438 1.00 0.00 C ATOM 608 CG ARG A 37 -0.160 -2.277 -0.038 1.00 0.00 C ATOM 609 CD ARG A 37 0.082 -3.623 0.634 1.00 0.00 C ATOM 610 NE ARG A 37 -0.642 -3.675 1.909 1.00 0.00 N ATOM 611 CZ ARG A 37 -0.396 -4.577 2.865 1.00 0.00 C ATOM 612 NH1 ARG A 37 0.400 -5.616 2.608 1.00 0.00 N ATOM 613 NH2 ARG A 37 -0.923 -4.418 4.080 1.00 0.00 N ATOM 0 H ARG A 37 -1.023 -2.194 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.857 -0.482 -1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.461 -3.117 -1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.471 -1.798 -1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.252 -1.491 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.235 -2.106 -0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.251 -4.431 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.149 -3.769 0.804 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.374 -2.984 2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.819 -5.721 1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.589 -6.306 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.512 -3.610 4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.737 -5.105 4.811 1.00 0.00 H new ATOM 627 N GLY A 38 1.046 0.744 -2.785 1.00 0.00 N ATOM 628 CA GLY A 38 1.835 1.600 -3.653 1.00 0.00 C ATOM 629 C GLY A 38 2.861 2.396 -2.864 1.00 0.00 C ATOM 630 O GLY A 38 2.951 2.279 -1.643 1.00 0.00 O ATOM 0 H GLY A 38 0.990 1.061 -1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.342 0.992 -4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.176 2.283 -4.189 1.00 0.00 H new ATOM 634 N CYS A 39 3.643 3.207 -3.575 1.00 0.00 N ATOM 635 CA CYS A 39 4.705 4.014 -3.008 1.00 0.00 C ATOM 636 C CYS A 39 4.201 5.415 -2.696 1.00 0.00 C ATOM 637 O CYS A 39 3.362 5.950 -3.416 1.00 0.00 O ATOM 638 CB CYS A 39 5.861 4.069 -4.001 1.00 0.00 C ATOM 639 SG CYS A 39 6.725 2.496 -4.158 1.00 0.00 S ATOM 0 H CYS A 39 3.548 3.319 -4.584 1.00 0.00 H new ATOM 0 HA CYS A 39 5.046 3.568 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.481 4.368 -4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.568 4.836 -3.686 1.00 0.00 H new ATOM 644 N GLY A 40 4.726 6.017 -1.631 1.00 0.00 N ATOM 645 CA GLY A 40 4.363 7.351 -1.207 1.00 0.00 C ATOM 646 C GLY A 40 3.123 7.364 -0.312 1.00 0.00 C ATOM 647 O GLY A 40 3.128 6.846 0.798 1.00 0.00 O ATOM 0 H GLY A 40 5.426 5.577 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.199 7.798 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.180 7.971 -2.085 1.00 0.00 H new ATOM 651 N CYS A 41 2.056 7.984 -0.803 1.00 0.00 N ATOM 652 CA CYS A 41 0.799 8.312 -0.145 1.00 0.00 C ATOM 653 C CYS A 41 -0.236 8.334 -1.307 1.00 0.00 C ATOM 654 O CYS A 41 0.195 8.234 -2.456 1.00 0.00 O ATOM 655 CB CYS A 41 1.133 9.607 0.618 1.00 0.00 C ATOM 656 SG CYS A 41 0.391 10.171 2.184 1.00 0.00 S ATOM 0 H CYS A 41 2.051 8.302 -1.772 1.00 0.00 H new ATOM 0 HA CYS A 41 0.360 7.646 0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.206 9.567 0.803 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.962 10.416 -0.093 1.00 0.00 H new ATOM 661 N PRO A 42 -1.555 8.399 -1.057 1.00 0.00 N ATOM 662 CA PRO A 42 -2.659 8.197 -1.979 1.00 0.00 C ATOM 663 C PRO A 42 -2.551 8.462 -3.483 1.00 0.00 C ATOM 664 O PRO A 42 -1.865 9.341 -3.999 1.00 0.00 O ATOM 665 CB PRO A 42 -3.822 9.017 -1.428 1.00 0.00 C ATOM 666 CG PRO A 42 -3.604 9.004 0.079 1.00 0.00 C ATOM 667 CD PRO A 42 -2.128 8.637 0.244 1.00 0.00 C ATOM 0 HA PRO A 42 -2.747 7.111 -1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.816 10.033 -1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.782 8.577 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.824 9.976 0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.252 8.277 0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.594 9.442 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.028 7.748 0.867 1.00 0.00 H new ATOM 675 N THR A 43 -3.376 7.663 -4.155 1.00 0.00 N ATOM 676 CA THR A 43 -3.753 7.580 -5.554 1.00 0.00 C ATOM 677 C THR A 43 -4.751 6.423 -5.533 1.00 0.00 C ATOM 678 O THR A 43 -4.470 5.416 -4.886 1.00 0.00 O ATOM 679 CB THR A 43 -2.587 7.300 -6.520 1.00 0.00 C ATOM 680 OG1 THR A 43 -1.316 7.359 -5.898 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.627 8.325 -7.654 1.00 0.00 C ATOM 0 H THR A 43 -3.874 6.941 -3.634 1.00 0.00 H new ATOM 0 HA THR A 43 -4.143 8.526 -5.930 1.00 0.00 H new ATOM 0 HB THR A 43 -2.717 6.283 -6.890 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.035 6.456 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.805 8.136 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.575 8.242 -8.186 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.530 9.329 -7.241 1.00 0.00 H new ATOM 689 N ALA A 44 -5.924 6.577 -6.143 1.00 0.00 N ATOM 690 CA ALA A 44 -6.987 5.577 -6.095 1.00 0.00 C ATOM 691 C ALA A 44 -8.139 6.031 -6.987 1.00 0.00 C ATOM 692 O ALA A 44 -8.085 7.117 -7.561 1.00 0.00 O ATOM 693 CB ALA A 44 -7.492 5.413 -4.649 1.00 0.00 C ATOM 0 H ALA A 44 -6.165 7.405 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.600 4.621 -6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.285 4.665 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.669 5.092 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.880 6.366 -4.289 1.00 0.00 H new ATOM 699 N MET A 45 -9.172 5.191 -7.093 1.00 0.00 N ATOM 700 CA MET A 45 -10.398 5.406 -7.820 1.00 0.00 C ATOM 701 C MET A 45 -11.521 4.838 -6.949 1.00 0.00 C ATOM 702 O MET A 45 -11.273 3.951 -6.133 1.00 0.00 O ATOM 703 CB MET A 45 -10.314 4.650 -9.144 1.00 0.00 C ATOM 704 CG MET A 45 -9.415 5.369 -10.158 1.00 0.00 C ATOM 705 SD MET A 45 -9.401 4.664 -11.827 1.00 0.00 S ATOM 706 CE MET A 45 -8.679 3.041 -11.495 1.00 0.00 C ATOM 0 H MET A 45 -9.159 4.280 -6.634 1.00 0.00 H new ATOM 0 HA MET A 45 -10.576 6.460 -8.034 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.929 3.646 -8.965 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.314 4.537 -9.562 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.733 6.410 -10.225 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.395 5.371 -9.775 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.487 2.528 -12.438 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.742 3.164 -10.951 1.00 0.00 H new ATOM 0 HE3 MET A 45 -9.372 2.450 -10.895 1.00 0.00 H new ATOM 716 N TRP A 46 -12.748 5.336 -7.090 1.00 0.00 N ATOM 717 CA TRP A 46 -13.864 4.818 -6.312 1.00 0.00 C ATOM 718 C TRP A 46 -14.104 3.353 -6.733 1.00 0.00 C ATOM 719 O TRP A 46 -13.935 3.048 -7.913 1.00 0.00 O ATOM 720 CB TRP A 46 -15.097 5.692 -6.587 1.00 0.00 C ATOM 721 CG TRP A 46 -16.161 5.733 -5.536 1.00 0.00 C ATOM 722 CD1 TRP A 46 -16.007 6.060 -4.232 1.00 0.00 C ATOM 723 CD2 TRP A 46 -17.580 5.501 -5.717 1.00 0.00 C ATOM 724 NE1 TRP A 46 -17.225 5.987 -3.585 1.00 0.00 N ATOM 725 CE2 TRP A 46 -18.237 5.649 -4.463 1.00 0.00 C ATOM 726 CE3 TRP A 46 -18.374 5.199 -6.836 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -19.621 5.472 -4.322 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -19.764 5.011 -6.709 1.00 0.00 C ATOM 729 CH2 TRP A 46 -20.386 5.140 -5.453 1.00 0.00 C ATOM 0 H TRP A 46 -12.990 6.091 -7.731 1.00 0.00 H new ATOM 0 HA TRP A 46 -13.656 4.845 -5.242 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -14.755 6.712 -6.759 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -15.554 5.348 -7.515 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -15.072 6.336 -3.767 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -17.360 6.160 -2.589 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -17.912 5.110 -7.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -20.092 5.589 -3.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -20.355 4.767 -7.579 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -21.450 4.984 -5.359 1.00 0.00 H new ATOM 740 N PRO A 47 -14.506 2.435 -5.836 1.00 0.00 N ATOM 741 CA PRO A 47 -14.815 2.630 -4.429 1.00 0.00 C ATOM 742 C PRO A 47 -13.633 2.289 -3.511 1.00 0.00 C ATOM 743 O PRO A 47 -13.846 1.757 -2.422 1.00 0.00 O ATOM 744 CB PRO A 47 -16.004 1.695 -4.194 1.00 0.00 C ATOM 745 CG PRO A 47 -15.605 0.474 -5.024 1.00 0.00 C ATOM 746 CD PRO A 47 -14.925 1.102 -6.245 1.00 0.00 C ATOM 0 HA PRO A 47 -15.037 3.671 -4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -16.130 1.450 -3.139 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.943 2.133 -4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -14.929 -0.183 -4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.471 -0.124 -5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.070 0.506 -6.564 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -15.612 1.152 -7.090 1.00 0.00 H new ATOM 754 N TYR A 48 -12.389 2.565 -3.915 1.00 0.00 N ATOM 755 CA TYR A 48 -11.249 2.308 -3.047 1.00 0.00 C ATOM 756 C TYR A 48 -10.965 3.511 -2.168 1.00 0.00 C ATOM 757 O TYR A 48 -11.424 4.624 -2.423 1.00 0.00 O ATOM 758 CB TYR A 48 -9.977 2.028 -3.856 1.00 0.00 C ATOM 759 CG TYR A 48 -10.051 0.767 -4.697 1.00 0.00 C ATOM 760 CD1 TYR A 48 -10.203 -0.488 -4.079 1.00 0.00 C ATOM 761 CD2 TYR A 48 -10.048 0.855 -6.103 1.00 0.00 C ATOM 762 CE1 TYR A 48 -10.399 -1.638 -4.862 1.00 0.00 C ATOM 763 CE2 TYR A 48 -10.221 -0.300 -6.884 1.00 0.00 C ATOM 764 CZ TYR A 48 -10.405 -1.546 -6.262 1.00 0.00 C ATOM 765 OH TYR A 48 -10.583 -2.670 -7.011 1.00 0.00 O ATOM 0 H TYR A 48 -12.153 2.961 -4.825 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.508 1.437 -2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.779 2.878 -4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.133 1.948 -3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.169 -0.567 -3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.912 1.813 -6.582 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.545 -2.596 -4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.213 -0.230 -7.962 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.563 -2.436 -7.962 1.00 0.00 H new ATOM 775 N GLN A 49 -10.166 3.261 -1.136 1.00 0.00 N ATOM 776 CA GLN A 49 -9.587 4.274 -0.292 1.00 0.00 C ATOM 777 C GLN A 49 -8.256 3.686 0.153 1.00 0.00 C ATOM 778 O GLN A 49 -8.088 2.473 0.225 1.00 0.00 O ATOM 779 CB GLN A 49 -10.473 4.609 0.908 1.00 0.00 C ATOM 780 CG GLN A 49 -10.113 5.975 1.518 1.00 0.00 C ATOM 781 CD GLN A 49 -9.922 5.891 3.028 1.00 0.00 C ATOM 782 OE1 GLN A 49 -10.889 5.746 3.769 1.00 0.00 O ATOM 783 NE2 GLN A 49 -8.684 5.969 3.512 1.00 0.00 N ATOM 0 H GLN A 49 -9.901 2.314 -0.864 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.471 5.218 -0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.518 4.613 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.368 3.833 1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.199 6.349 1.057 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.901 6.693 1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.895 6.090 2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.525 5.908 4.518 1.00 0.00 H new ATOM 792 N THR A 50 -7.292 4.553 0.394 1.00 0.00 N ATOM 793 CA THR A 50 -5.972 4.165 0.852 1.00 0.00 C ATOM 794 C THR A 50 -5.522 5.047 1.999 1.00 0.00 C ATOM 795 O THR A 50 -6.142 6.073 2.290 1.00 0.00 O ATOM 796 CB THR A 50 -4.995 4.192 -0.333 1.00 0.00 C ATOM 797 OG1 THR A 50 -3.708 3.793 0.038 1.00 0.00 O ATOM 798 CG2 THR A 50 -4.808 5.555 -0.968 1.00 0.00 C ATOM 0 H THR A 50 -7.405 5.560 0.276 1.00 0.00 H new ATOM 0 HA THR A 50 -5.999 3.147 1.240 1.00 0.00 H new ATOM 0 HB THR A 50 -5.463 3.508 -1.041 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.147 3.711 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.102 5.477 -1.795 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.766 5.917 -1.341 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.421 6.253 -0.225 1.00 0.00 H new ATOM 806 N GLU A 51 -4.461 4.592 2.660 1.00 0.00 N ATOM 807 CA GLU A 51 -3.803 5.308 3.747 1.00 0.00 C ATOM 808 C GLU A 51 -2.292 5.111 3.609 1.00 0.00 C ATOM 809 O GLU A 51 -1.863 4.132 2.997 1.00 0.00 O ATOM 810 CB GLU A 51 -4.374 4.882 5.103 1.00 0.00 C ATOM 811 CG GLU A 51 -3.787 3.557 5.578 1.00 0.00 C ATOM 812 CD GLU A 51 -4.486 3.043 6.833 1.00 0.00 C ATOM 813 OE1 GLU A 51 -5.717 2.843 6.753 1.00 0.00 O ATOM 814 OE2 GLU A 51 -3.776 2.852 7.843 1.00 0.00 O ATOM 0 H GLU A 51 -4.025 3.694 2.449 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.998 6.379 3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.168 5.656 5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.458 4.793 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.875 2.815 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.723 3.683 5.780 1.00 0.00 H new ATOM 821 N CYS A 52 -1.502 6.041 4.159 1.00 0.00 N ATOM 822 CA CYS A 52 -0.053 6.070 4.037 1.00 0.00 C ATOM 823 C CYS A 52 0.635 5.513 5.277 1.00 0.00 C ATOM 824 O CYS A 52 0.015 5.344 6.325 1.00 0.00 O ATOM 825 CB CYS A 52 0.434 7.512 3.831 1.00 0.00 C ATOM 826 SG CYS A 52 -0.706 8.598 2.968 1.00 0.00 S ATOM 0 H CYS A 52 -1.871 6.812 4.715 1.00 0.00 H new ATOM 0 HA CYS A 52 0.203 5.448 3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.653 7.946 4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.372 7.484 3.277 1.00 0.00 H new ATOM 831 N CYS A 53 1.936 5.263 5.145 1.00 0.00 N ATOM 832 CA CYS A 53 2.825 4.807 6.210 1.00 0.00 C ATOM 833 C CYS A 53 4.263 5.097 5.792 1.00 0.00 C ATOM 834 O CYS A 53 4.510 5.397 4.626 1.00 0.00 O ATOM 835 CB CYS A 53 2.624 3.314 6.526 1.00 0.00 C ATOM 836 SG CYS A 53 3.074 2.114 5.241 1.00 0.00 S ATOM 0 H CYS A 53 2.420 5.378 4.254 1.00 0.00 H new ATOM 0 HA CYS A 53 2.591 5.345 7.129 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.200 3.080 7.421 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.574 3.162 6.774 1.00 0.00 H new ATOM 841 N LYS A 54 5.205 5.046 6.737 1.00 0.00 N ATOM 842 CA LYS A 54 6.625 5.194 6.515 1.00 0.00 C ATOM 843 C LYS A 54 7.304 4.058 7.274 1.00 0.00 C ATOM 844 O LYS A 54 6.755 3.570 8.262 1.00 0.00 O ATOM 845 CB LYS A 54 7.106 6.570 6.980 1.00 0.00 C ATOM 846 CG LYS A 54 6.472 7.080 8.281 1.00 0.00 C ATOM 847 CD LYS A 54 7.129 8.392 8.737 1.00 0.00 C ATOM 848 CE LYS A 54 6.849 9.555 7.776 1.00 0.00 C ATOM 849 NZ LYS A 54 7.347 10.831 8.322 1.00 0.00 N ATOM 0 H LYS A 54 4.976 4.893 7.719 1.00 0.00 H new ATOM 0 HA LYS A 54 6.873 5.136 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.187 6.533 7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.906 7.293 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.404 7.237 8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.578 6.326 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.764 8.651 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.206 8.245 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.324 9.358 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.777 9.629 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.144 11.599 7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.875 11.029 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.374 10.767 8.473 1.00 0.00 H new ATOM 863 N GLY A 55 8.484 3.652 6.807 1.00 0.00 N ATOM 864 CA GLY A 55 9.237 2.524 7.328 1.00 0.00 C ATOM 865 C GLY A 55 9.303 1.492 6.207 1.00 0.00 C ATOM 866 O GLY A 55 8.300 1.234 5.539 1.00 0.00 O ATOM 0 H GLY A 55 8.953 4.118 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.238 2.832 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.751 2.108 8.210 1.00 0.00 H new ATOM 870 N ASP A 56 10.489 0.951 5.922 1.00 0.00 N ATOM 871 CA ASP A 56 10.653 -0.004 4.837 1.00 0.00 C ATOM 872 C ASP A 56 9.676 -1.161 5.025 1.00 0.00 C ATOM 873 O ASP A 56 9.566 -1.713 6.117 1.00 0.00 O ATOM 874 CB ASP A 56 12.121 -0.416 4.756 1.00 0.00 C ATOM 875 CG ASP A 56 12.898 0.753 4.162 1.00 0.00 C ATOM 876 OD1 ASP A 56 12.887 0.874 2.917 1.00 0.00 O ATOM 877 OD2 ASP A 56 13.382 1.581 4.963 1.00 0.00 O ATOM 0 H ASP A 56 11.348 1.161 6.431 1.00 0.00 H new ATOM 0 HA ASP A 56 10.406 0.436 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.503 -0.666 5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.235 -1.305 4.136 1.00 0.00 H new ATOM 882 N ARG A 57 8.939 -1.469 3.951 1.00 0.00 N ATOM 883 CA ARG A 57 7.840 -2.421 3.907 1.00 0.00 C ATOM 884 C ARG A 57 6.884 -2.215 5.092 1.00 0.00 C ATOM 885 O ARG A 57 6.440 -3.182 5.704 1.00 0.00 O ATOM 886 CB ARG A 57 8.350 -3.866 3.731 1.00 0.00 C ATOM 887 CG ARG A 57 9.495 -4.326 4.642 1.00 0.00 C ATOM 888 CD ARG A 57 9.794 -5.819 4.447 1.00 0.00 C ATOM 889 NE ARG A 57 10.156 -6.144 3.057 1.00 0.00 N ATOM 890 CZ ARG A 57 10.482 -7.373 2.629 1.00 0.00 C ATOM 891 NH1 ARG A 57 10.557 -8.387 3.497 1.00 0.00 N ATOM 892 NH2 ARG A 57 10.725 -7.594 1.332 1.00 0.00 N ATOM 0 H ARG A 57 9.108 -1.033 3.044 1.00 0.00 H new ATOM 0 HA ARG A 57 7.240 -2.229 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.508 -4.541 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.673 -3.986 2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.390 -3.742 4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.233 -4.138 5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.608 -6.113 5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.920 -6.402 4.738 1.00 0.00 H new ATOM 0 HE ARG A 57 10.159 -5.385 2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.366 -8.227 4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.805 -9.321 3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.663 -6.826 0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.972 -8.530 1.012 1.00 0.00 H new ATOM 906 N CYS A 58 6.532 -0.958 5.407 1.00 0.00 N ATOM 907 CA CYS A 58 5.563 -0.634 6.449 1.00 0.00 C ATOM 908 C CYS A 58 4.173 -1.134 6.068 1.00 0.00 C ATOM 909 O CYS A 58 3.396 -1.503 6.947 1.00 0.00 O ATOM 910 CB CYS A 58 5.511 0.874 6.718 1.00 0.00 C ATOM 911 SG CYS A 58 5.150 1.954 5.305 1.00 0.00 S ATOM 0 H CYS A 58 6.918 -0.138 4.939 1.00 0.00 H new ATOM 0 HA CYS A 58 5.888 -1.136 7.360 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.757 1.055 7.484 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.470 1.176 7.138 1.00 0.00 H new ATOM 916 N ASN A 59 3.845 -1.162 4.773 1.00 0.00 N ATOM 917 CA ASN A 59 2.579 -1.674 4.285 1.00 0.00 C ATOM 918 C ASN A 59 2.680 -3.201 4.247 1.00 0.00 C ATOM 919 O ASN A 59 2.699 -3.806 3.180 1.00 0.00 O ATOM 920 CB ASN A 59 2.218 -1.018 2.939 1.00 0.00 C ATOM 921 CG ASN A 59 3.263 -1.011 1.828 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.367 -1.542 1.945 1.00 0.00 O ATOM 923 ND2 ASN A 59 2.927 -0.370 0.710 1.00 0.00 N ATOM 0 H ASN A 59 4.462 -0.825 4.034 1.00 0.00 H new ATOM 0 HA ASN A 59 1.751 -1.417 4.946 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.329 -1.518 2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.940 0.017 3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.589 -0.314 -0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.008 0.065 0.628 1.00 0.00 H new ATOM 930 N LYS A 60 2.780 -3.780 5.448 1.00 0.00 N ATOM 931 CA LYS A 60 2.931 -5.204 5.719 1.00 0.00 C ATOM 932 C LYS A 60 1.649 -5.973 5.405 1.00 0.00 C ATOM 933 O LYS A 60 0.587 -5.592 5.944 1.00 0.00 O ATOM 934 CB LYS A 60 3.318 -5.423 7.188 1.00 0.00 C ATOM 935 CG LYS A 60 4.716 -4.863 7.460 1.00 0.00 C ATOM 936 CD LYS A 60 5.182 -5.133 8.895 1.00 0.00 C ATOM 937 CE LYS A 60 6.676 -4.816 9.051 1.00 0.00 C ATOM 938 NZ LYS A 60 7.007 -3.450 8.605 1.00 0.00 N ATOM 939 OXT LYS A 60 1.730 -6.932 4.601 1.00 0.00 O ATOM 0 H LYS A 60 2.756 -3.229 6.306 1.00 0.00 H new ATOM 0 HA LYS A 60 3.722 -5.583 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.591 -4.936 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.294 -6.487 7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.425 -5.306 6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.717 -3.789 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.602 -4.526 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.998 -6.176 9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.963 -4.934 10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.260 -5.535 8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.999 -3.240 8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.870 -3.378 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.386 -2.768 9.086 1.00 0.00 H new