USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 401 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 LYS NZ :NH3+ 155:sc= 0.988 (180deg=0.591) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -144:sc= 1.29 (180deg=0.397) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.598 K(o=0.54,f=-4.8!) USER MOD Set 2.2: A 50 THR OG1 : rot -170:sc= -0.0604 USER MOD Set 3.1: A 29 THR OG1 : rot 171:sc= 0.192 USER MOD Set 3.2: A 30 HIS : no HD1:sc= -0.0409 X(o=0.15,f=0.0056) USER MOD Set 4.1: A 23 TYR OH : rot 179:sc= 0.758 USER MOD Set 4.2: A 43 THR OG1 : rot -14:sc= 1.67 USER MOD Set 5.1: A 5 SER OG : rot 90:sc= -0.108 USER MOD Set 5.2: A 15 LYS NZ :NH3+ 145:sc= 0.393 (180deg=-0.532) USER MOD Single : A 1 ARG N :NH3+ -135:sc= 2.21 (180deg=0.502) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -30:sc= 0.403 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.16 K(o=1.2,f=-8.9!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 25 MET CE :methyl 174:sc=-0.00579 (180deg=-0.118) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -63:sc= 1.07 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 54 LYS NZ :NH3+ -158:sc= -0.102 (180deg=-0.825) USER MOD Single : A 59 ASN : amide:sc= -0.0804 K(o=-0.08,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.403 4.542 -1.381 1.00 0.00 N ATOM 2 CA ARG A 1 11.632 3.567 -0.308 1.00 0.00 C ATOM 3 C ARG A 1 11.298 2.172 -0.846 1.00 0.00 C ATOM 4 O ARG A 1 10.551 2.085 -1.824 1.00 0.00 O ATOM 5 CB ARG A 1 10.737 3.926 0.889 1.00 0.00 C ATOM 6 CG ARG A 1 10.949 3.084 2.150 1.00 0.00 C ATOM 7 CD ARG A 1 12.390 3.116 2.693 1.00 0.00 C ATOM 8 NE ARG A 1 13.006 4.449 2.620 1.00 0.00 N ATOM 9 CZ ARG A 1 12.620 5.523 3.324 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.605 5.451 4.188 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.244 6.691 3.162 1.00 0.00 N ATOM 0 H1 ARG A 1 12.200 5.209 -1.420 1.00 0.00 H new ATOM 0 H2 ARG A 1 11.323 4.045 -2.291 1.00 0.00 H new ATOM 0 H3 ARG A 1 10.524 5.065 -1.193 1.00 0.00 H new ATOM 0 HA ARG A 1 12.671 3.581 0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.902 4.974 1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.695 3.832 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.271 3.437 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.676 2.051 1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.388 2.780 3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.000 2.410 2.130 1.00 0.00 H new ATOM 0 HE ARG A 1 13.792 4.567 1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.110 4.569 4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 1 11.325 6.278 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.017 6.769 2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 1 12.948 7.506 3.699 1.00 0.00 H new ATOM 27 N ILE A 2 11.852 1.110 -0.250 1.00 0.00 N ATOM 28 CA ILE A 2 11.524 -0.266 -0.612 1.00 0.00 C ATOM 29 C ILE A 2 10.199 -0.564 0.085 1.00 0.00 C ATOM 30 O ILE A 2 10.081 -0.349 1.290 1.00 0.00 O ATOM 31 CB ILE A 2 12.678 -1.228 -0.229 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.202 -1.955 -1.479 1.00 0.00 C ATOM 33 CG2 ILE A 2 12.305 -2.269 0.839 1.00 0.00 C ATOM 34 CD1 ILE A 2 12.242 -3.034 -1.994 1.00 0.00 C ATOM 0 H ILE A 2 12.541 1.185 0.498 1.00 0.00 H new ATOM 0 HA ILE A 2 11.410 -0.409 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 2 13.451 -0.595 0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.377 -1.225 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 2 14.164 -2.413 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 2 13.168 -2.901 1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.998 -1.759 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.484 -2.886 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.669 -3.510 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.086 -3.783 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 2 11.287 -2.577 -2.254 1.00 0.00 H new ATOM 46 N CYS A 3 9.191 -1.015 -0.657 1.00 0.00 N ATOM 47 CA CYS A 3 7.860 -1.228 -0.113 1.00 0.00 C ATOM 48 C CYS A 3 7.196 -2.407 -0.805 1.00 0.00 C ATOM 49 O CYS A 3 7.755 -2.981 -1.734 1.00 0.00 O ATOM 50 CB CYS A 3 7.065 0.069 -0.277 1.00 0.00 C ATOM 51 SG CYS A 3 7.256 1.175 1.136 1.00 0.00 S ATOM 0 H CYS A 3 9.277 -1.241 -1.648 1.00 0.00 H new ATOM 0 HA CYS A 3 7.906 -1.475 0.948 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.392 0.581 -1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.009 -0.169 -0.409 1.00 0.00 H new ATOM 56 N TYR A 4 6.011 -2.784 -0.332 1.00 0.00 N ATOM 57 CA TYR A 4 5.255 -3.912 -0.838 1.00 0.00 C ATOM 58 C TYR A 4 4.379 -3.528 -2.020 1.00 0.00 C ATOM 59 O TYR A 4 4.073 -2.351 -2.222 1.00 0.00 O ATOM 60 CB TYR A 4 4.383 -4.468 0.291 1.00 0.00 C ATOM 61 CG TYR A 4 5.155 -5.284 1.307 1.00 0.00 C ATOM 62 CD1 TYR A 4 5.827 -6.453 0.902 1.00 0.00 C ATOM 63 CD2 TYR A 4 5.233 -4.866 2.646 1.00 0.00 C ATOM 64 CE1 TYR A 4 6.632 -7.154 1.815 1.00 0.00 C ATOM 65 CE2 TYR A 4 5.953 -5.627 3.580 1.00 0.00 C ATOM 66 CZ TYR A 4 6.681 -6.751 3.158 1.00 0.00 C ATOM 67 OH TYR A 4 7.476 -7.422 4.038 1.00 0.00 O ATOM 0 H TYR A 4 5.544 -2.297 0.433 1.00 0.00 H new ATOM 0 HA TYR A 4 5.960 -4.666 -1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.891 -3.639 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.597 -5.089 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.723 -6.811 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.738 -3.958 2.957 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.213 -8.002 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.947 -5.348 4.623 1.00 0.00 H new ATOM 0 HH TYR A 4 7.396 -7.016 4.926 1.00 0.00 H new ATOM 77 N SER A 5 3.982 -4.538 -2.800 1.00 0.00 N ATOM 78 CA SER A 5 3.106 -4.412 -3.961 1.00 0.00 C ATOM 79 C SER A 5 2.278 -5.688 -4.143 1.00 0.00 C ATOM 80 O SER A 5 2.034 -6.113 -5.269 1.00 0.00 O ATOM 81 CB SER A 5 3.952 -4.116 -5.201 1.00 0.00 C ATOM 82 OG SER A 5 4.781 -3.005 -4.935 1.00 0.00 O ATOM 0 H SER A 5 4.275 -5.500 -2.631 1.00 0.00 H new ATOM 0 HA SER A 5 2.410 -3.587 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.558 -4.985 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.308 -3.910 -6.056 1.00 0.00 H new ATOM 0 HG SER A 5 5.631 -3.314 -4.558 1.00 0.00 H new ATOM 215 N THR A 14 7.092 -6.750 -4.238 1.00 0.00 N ATOM 216 CA THR A 14 7.636 -5.538 -3.650 1.00 0.00 C ATOM 217 C THR A 14 8.060 -4.584 -4.768 1.00 0.00 C ATOM 218 O THR A 14 8.113 -4.983 -5.931 1.00 0.00 O ATOM 219 CB THR A 14 8.833 -5.904 -2.753 1.00 0.00 C ATOM 220 OG1 THR A 14 9.642 -6.866 -3.401 1.00 0.00 O ATOM 221 CG2 THR A 14 8.410 -6.492 -1.405 1.00 0.00 C ATOM 0 HA THR A 14 6.883 -5.042 -3.038 1.00 0.00 H new ATOM 0 HB THR A 14 9.374 -4.975 -2.573 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.086 -7.419 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.297 -6.730 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.802 -5.766 -0.866 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.830 -7.400 -1.570 1.00 0.00 H new ATOM 229 N LYS A 15 8.353 -3.330 -4.411 1.00 0.00 N ATOM 230 CA LYS A 15 8.797 -2.294 -5.332 1.00 0.00 C ATOM 231 C LYS A 15 9.800 -1.375 -4.637 1.00 0.00 C ATOM 232 O LYS A 15 9.689 -1.133 -3.436 1.00 0.00 O ATOM 233 CB LYS A 15 7.597 -1.482 -5.844 1.00 0.00 C ATOM 234 CG LYS A 15 6.870 -0.697 -4.740 1.00 0.00 C ATOM 235 CD LYS A 15 5.710 0.098 -5.351 1.00 0.00 C ATOM 236 CE LYS A 15 5.005 0.969 -4.306 1.00 0.00 C ATOM 237 NZ LYS A 15 4.239 0.176 -3.331 1.00 0.00 N ATOM 0 H LYS A 15 8.284 -3.005 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 15 9.283 -2.767 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.940 -0.785 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.889 -2.158 -6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.494 -1.382 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.565 -0.021 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.086 0.729 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.991 -0.591 -5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.747 1.569 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.334 1.664 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.286 0.634 -2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.247 0.114 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.642 -0.780 -3.268 1.00 0.00 H new ATOM 251 N THR A 16 10.763 -0.852 -5.399 1.00 0.00 N ATOM 252 CA THR A 16 11.760 0.097 -4.925 1.00 0.00 C ATOM 253 C THR A 16 11.352 1.471 -5.450 1.00 0.00 C ATOM 254 O THR A 16 11.769 1.862 -6.537 1.00 0.00 O ATOM 255 CB THR A 16 13.152 -0.329 -5.416 1.00 0.00 C ATOM 256 OG1 THR A 16 13.407 -1.650 -4.984 1.00 0.00 O ATOM 257 CG2 THR A 16 14.254 0.575 -4.853 1.00 0.00 C ATOM 0 H THR A 16 10.870 -1.085 -6.386 1.00 0.00 H new ATOM 0 HA THR A 16 11.811 0.129 -3.837 1.00 0.00 H new ATOM 0 HB THR A 16 13.159 -0.255 -6.503 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.293 -1.930 -5.295 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.223 0.241 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.079 1.603 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.245 0.525 -3.764 1.00 0.00 H new ATOM 265 N CYS A 17 10.500 2.190 -4.712 1.00 0.00 N ATOM 266 CA CYS A 17 10.073 3.517 -5.144 1.00 0.00 C ATOM 267 C CYS A 17 11.084 4.554 -4.661 1.00 0.00 C ATOM 268 O CYS A 17 12.015 4.229 -3.924 1.00 0.00 O ATOM 269 CB CYS A 17 8.683 3.853 -4.613 1.00 0.00 C ATOM 270 SG CYS A 17 7.771 5.050 -5.613 1.00 0.00 S ATOM 0 H CYS A 17 10.100 1.879 -3.827 1.00 0.00 H new ATOM 0 HA CYS A 17 10.024 3.528 -6.233 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.101 2.934 -4.547 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.779 4.243 -3.600 1.00 0.00 H new ATOM 275 N VAL A 18 10.861 5.820 -5.004 1.00 0.00 N ATOM 276 CA VAL A 18 11.688 6.926 -4.563 1.00 0.00 C ATOM 277 C VAL A 18 11.191 7.365 -3.184 1.00 0.00 C ATOM 278 O VAL A 18 11.919 7.237 -2.200 1.00 0.00 O ATOM 279 CB VAL A 18 11.623 8.067 -5.597 1.00 0.00 C ATOM 280 CG1 VAL A 18 12.444 9.279 -5.137 1.00 0.00 C ATOM 281 CG2 VAL A 18 12.159 7.593 -6.954 1.00 0.00 C ATOM 0 H VAL A 18 10.088 6.104 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 18 12.734 6.631 -4.481 1.00 0.00 H new ATOM 0 HB VAL A 18 10.578 8.360 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.379 10.068 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.051 9.646 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.486 8.985 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.106 8.411 -7.672 1.00 0.00 H new ATOM 0 HG22 VAL A 18 13.195 7.273 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.557 6.757 -7.311 1.00 0.00 H new ATOM 291 N GLU A 19 9.924 7.798 -3.111 1.00 0.00 N ATOM 292 CA GLU A 19 9.301 8.380 -1.927 1.00 0.00 C ATOM 293 C GLU A 19 9.637 7.679 -0.620 1.00 0.00 C ATOM 294 O GLU A 19 9.786 6.459 -0.560 1.00 0.00 O ATOM 295 CB GLU A 19 7.779 8.397 -2.069 1.00 0.00 C ATOM 296 CG GLU A 19 7.338 9.131 -3.333 1.00 0.00 C ATOM 297 CD GLU A 19 8.124 10.402 -3.643 1.00 0.00 C ATOM 298 OE1 GLU A 19 7.958 11.372 -2.873 1.00 0.00 O ATOM 299 OE2 GLU A 19 8.889 10.367 -4.631 1.00 0.00 O ATOM 0 H GLU A 19 9.287 7.748 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 19 9.714 9.387 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.404 7.374 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.337 8.878 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.426 8.451 -4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.283 9.387 -3.238 1.00 0.00 H new ATOM 306 N ASN A 20 9.710 8.490 0.432 1.00 0.00 N ATOM 307 CA ASN A 20 9.931 8.033 1.792 1.00 0.00 C ATOM 308 C ASN A 20 8.679 7.330 2.314 1.00 0.00 C ATOM 309 O ASN A 20 8.771 6.502 3.221 1.00 0.00 O ATOM 310 CB ASN A 20 10.280 9.236 2.677 1.00 0.00 C ATOM 311 CG ASN A 20 10.386 8.847 4.150 1.00 0.00 C ATOM 312 OD1 ASN A 20 11.349 8.207 4.560 1.00 0.00 O ATOM 313 ND2 ASN A 20 9.405 9.225 4.964 1.00 0.00 N ATOM 0 H ASN A 20 9.615 9.503 0.356 1.00 0.00 H new ATOM 0 HA ASN A 20 10.758 7.323 1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.225 9.668 2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.518 10.007 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.442 8.983 5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.615 9.757 4.598 1.00 0.00 H new ATOM 320 N THR A 21 7.513 7.668 1.753 1.00 0.00 N ATOM 321 CA THR A 21 6.241 7.132 2.179 1.00 0.00 C ATOM 322 C THR A 21 5.755 6.110 1.160 1.00 0.00 C ATOM 323 O THR A 21 6.221 6.078 0.019 1.00 0.00 O ATOM 324 CB THR A 21 5.257 8.305 2.320 1.00 0.00 C ATOM 325 OG1 THR A 21 5.498 9.252 1.292 1.00 0.00 O ATOM 326 CG2 THR A 21 5.437 9.004 3.669 1.00 0.00 C ATOM 0 H THR A 21 7.439 8.331 0.981 1.00 0.00 H new ATOM 0 HA THR A 21 6.327 6.623 3.139 1.00 0.00 H new ATOM 0 HB THR A 21 4.244 7.910 2.249 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.870 9.999 1.381 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.731 9.831 3.748 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.254 8.293 4.475 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.454 9.387 3.747 1.00 0.00 H new ATOM 334 N CYS A 22 4.802 5.282 1.579 1.00 0.00 N ATOM 335 CA CYS A 22 4.104 4.310 0.764 1.00 0.00 C ATOM 336 C CYS A 22 2.692 4.274 1.323 1.00 0.00 C ATOM 337 O CYS A 22 2.415 4.909 2.344 1.00 0.00 O ATOM 338 CB CYS A 22 4.776 2.936 0.833 1.00 0.00 C ATOM 339 SG CYS A 22 6.532 2.967 0.409 1.00 0.00 S ATOM 0 H CYS A 22 4.484 5.276 2.548 1.00 0.00 H new ATOM 0 HA CYS A 22 4.113 4.580 -0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.661 2.535 1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.260 2.254 0.157 1.00 0.00 H new ATOM 344 N TYR A 23 1.790 3.562 0.659 1.00 0.00 N ATOM 345 CA TYR A 23 0.441 3.400 1.155 1.00 0.00 C ATOM 346 C TYR A 23 -0.010 1.982 0.899 1.00 0.00 C ATOM 347 O TYR A 23 0.554 1.254 0.076 1.00 0.00 O ATOM 348 CB TYR A 23 -0.534 4.397 0.521 1.00 0.00 C ATOM 349 CG TYR A 23 -0.595 4.400 -0.994 1.00 0.00 C ATOM 350 CD1 TYR A 23 -1.336 3.415 -1.675 1.00 0.00 C ATOM 351 CD2 TYR A 23 -0.088 5.498 -1.708 1.00 0.00 C ATOM 352 CE1 TYR A 23 -1.616 3.563 -3.044 1.00 0.00 C ATOM 353 CE2 TYR A 23 -0.374 5.650 -3.073 1.00 0.00 C ATOM 354 CZ TYR A 23 -1.120 4.674 -3.745 1.00 0.00 C ATOM 355 OH TYR A 23 -1.261 4.734 -5.096 1.00 0.00 O ATOM 0 H TYR A 23 1.975 3.089 -0.226 1.00 0.00 H new ATOM 0 HA TYR A 23 0.444 3.604 2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.533 4.190 0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.266 5.399 0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.690 2.544 -1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.526 6.230 -1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.212 2.823 -3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.019 6.520 -3.606 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.880 5.574 -5.428 1.00 0.00 H new ATOM 365 N LYS A 24 -1.050 1.632 1.640 1.00 0.00 N ATOM 366 CA LYS A 24 -1.775 0.401 1.554 1.00 0.00 C ATOM 367 C LYS A 24 -3.188 0.781 1.136 1.00 0.00 C ATOM 368 O LYS A 24 -3.805 1.655 1.747 1.00 0.00 O ATOM 369 CB LYS A 24 -1.697 -0.367 2.874 1.00 0.00 C ATOM 370 CG LYS A 24 -0.887 0.270 4.010 1.00 0.00 C ATOM 371 CD LYS A 24 -0.918 -0.718 5.181 1.00 0.00 C ATOM 372 CE LYS A 24 -0.140 -0.233 6.405 1.00 0.00 C ATOM 373 NZ LYS A 24 0.023 -1.337 7.366 1.00 0.00 N ATOM 0 H LYS A 24 -1.424 2.250 2.360 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.355 -0.287 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.714 -0.526 3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.274 -1.350 2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.138 0.463 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.316 1.229 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.954 -0.899 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.506 -1.672 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.837 0.142 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.667 0.596 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.862 -1.163 7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.820 -1.396 7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.142 -2.232 6.850 1.00 0.00 H new ATOM 387 N MET A 25 -3.650 0.179 0.043 1.00 0.00 N ATOM 388 CA MET A 25 -4.934 0.450 -0.571 1.00 0.00 C ATOM 389 C MET A 25 -5.917 -0.683 -0.277 1.00 0.00 C ATOM 390 O MET A 25 -5.571 -1.862 -0.353 1.00 0.00 O ATOM 391 CB MET A 25 -4.733 0.647 -2.070 1.00 0.00 C ATOM 392 CG MET A 25 -6.040 0.979 -2.799 1.00 0.00 C ATOM 393 SD MET A 25 -5.875 1.516 -4.520 1.00 0.00 S ATOM 394 CE MET A 25 -5.012 0.099 -5.228 1.00 0.00 C ATOM 0 H MET A 25 -3.117 -0.535 -0.452 1.00 0.00 H new ATOM 0 HA MET A 25 -5.362 1.361 -0.153 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.015 1.450 -2.235 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.302 -0.258 -2.498 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.681 0.097 -2.774 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.554 1.763 -2.242 1.00 0.00 H new ATOM 0 HE1 MET A 25 -4.929 0.226 -6.307 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.015 0.026 -4.793 1.00 0.00 H new ATOM 0 HE3 MET A 25 -5.570 -0.812 -5.012 1.00 0.00 H new ATOM 404 N PHE A 26 -7.156 -0.315 0.034 1.00 0.00 N ATOM 405 CA PHE A 26 -8.263 -1.192 0.355 1.00 0.00 C ATOM 406 C PHE A 26 -9.496 -0.729 -0.409 1.00 0.00 C ATOM 407 O PHE A 26 -9.628 0.457 -0.714 1.00 0.00 O ATOM 408 CB PHE A 26 -8.538 -1.135 1.864 1.00 0.00 C ATOM 409 CG PHE A 26 -8.627 0.270 2.446 1.00 0.00 C ATOM 410 CD1 PHE A 26 -7.466 0.911 2.919 1.00 0.00 C ATOM 411 CD2 PHE A 26 -9.872 0.914 2.581 1.00 0.00 C ATOM 412 CE1 PHE A 26 -7.564 2.136 3.599 1.00 0.00 C ATOM 413 CE2 PHE A 26 -9.978 2.095 3.335 1.00 0.00 C ATOM 414 CZ PHE A 26 -8.821 2.711 3.841 1.00 0.00 C ATOM 0 H PHE A 26 -7.425 0.668 0.069 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.020 -2.217 0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.473 -1.657 2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.749 -1.679 2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.498 0.460 2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.748 0.499 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.669 2.637 3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.948 2.529 3.525 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.899 3.623 4.414 1.00 0.00 H new ATOM 424 N ILE A 27 -10.394 -1.653 -0.760 1.00 0.00 N ATOM 425 CA ILE A 27 -11.663 -1.234 -1.339 1.00 0.00 C ATOM 426 C ILE A 27 -12.367 -0.481 -0.207 1.00 0.00 C ATOM 427 O ILE A 27 -12.362 -0.937 0.935 1.00 0.00 O ATOM 428 CB ILE A 27 -12.467 -2.426 -1.879 1.00 0.00 C ATOM 429 CG1 ILE A 27 -11.668 -3.092 -3.011 1.00 0.00 C ATOM 430 CG2 ILE A 27 -13.822 -1.949 -2.426 1.00 0.00 C ATOM 431 CD1 ILE A 27 -12.325 -4.371 -3.528 1.00 0.00 C ATOM 0 H ILE A 27 -10.270 -2.660 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.538 -0.597 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.643 -3.138 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.558 -2.387 -3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.665 -3.324 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.382 -2.803 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.388 -1.470 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.658 -1.235 -3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.716 -4.796 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.411 -5.091 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.318 -4.140 -3.914 1.00 0.00 H new ATOM 443 N ARG A 28 -12.940 0.682 -0.514 1.00 0.00 N ATOM 444 CA ARG A 28 -13.496 1.593 0.482 1.00 0.00 C ATOM 445 C ARG A 28 -14.498 0.915 1.418 1.00 0.00 C ATOM 446 O ARG A 28 -14.596 1.278 2.588 1.00 0.00 O ATOM 447 CB ARG A 28 -14.087 2.821 -0.222 1.00 0.00 C ATOM 448 CG ARG A 28 -14.251 3.986 0.766 1.00 0.00 C ATOM 449 CD ARG A 28 -14.596 5.302 0.060 1.00 0.00 C ATOM 450 NE ARG A 28 -13.534 5.710 -0.873 1.00 0.00 N ATOM 451 CZ ARG A 28 -13.460 6.893 -1.494 1.00 0.00 C ATOM 452 NH1 ARG A 28 -14.412 7.816 -1.318 1.00 0.00 N ATOM 453 NH2 ARG A 28 -12.419 7.136 -2.294 1.00 0.00 N ATOM 0 H ARG A 28 -13.032 1.021 -1.472 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.685 1.921 1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.438 3.123 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.054 2.567 -0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.036 3.744 1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.329 4.111 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.535 5.189 -0.483 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.749 6.085 0.803 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.793 5.035 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.204 7.621 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.346 8.715 -1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.698 6.426 -2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.345 8.032 -2.776 1.00 0.00 H new ATOM 467 N THR A 29 -15.258 -0.054 0.914 1.00 0.00 N ATOM 468 CA THR A 29 -16.171 -0.830 1.729 1.00 0.00 C ATOM 469 C THR A 29 -15.341 -1.715 2.664 1.00 0.00 C ATOM 470 O THR A 29 -15.336 -1.544 3.883 1.00 0.00 O ATOM 471 CB THR A 29 -17.047 -1.684 0.797 1.00 0.00 C ATOM 472 OG1 THR A 29 -16.220 -2.319 -0.163 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.069 -0.816 0.059 1.00 0.00 C ATOM 0 H THR A 29 -15.254 -0.318 -0.071 1.00 0.00 H new ATOM 0 HA THR A 29 -16.818 -0.189 2.328 1.00 0.00 H new ATOM 0 HB THR A 29 -17.577 -2.420 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.747 -2.975 -0.666 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.676 -1.444 -0.593 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.713 -0.316 0.783 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.547 -0.069 -0.539 1.00 0.00 H new ATOM 481 N HIS A 30 -14.614 -2.650 2.052 1.00 0.00 N ATOM 482 CA HIS A 30 -13.797 -3.675 2.681 1.00 0.00 C ATOM 483 C HIS A 30 -12.489 -3.106 3.235 1.00 0.00 C ATOM 484 O HIS A 30 -11.397 -3.586 2.930 1.00 0.00 O ATOM 485 CB HIS A 30 -13.551 -4.774 1.641 1.00 0.00 C ATOM 486 CG HIS A 30 -14.810 -5.184 0.929 1.00 0.00 C ATOM 487 ND1 HIS A 30 -15.987 -5.490 1.593 1.00 0.00 N ATOM 488 CD2 HIS A 30 -15.120 -5.230 -0.404 1.00 0.00 C ATOM 489 CE1 HIS A 30 -16.940 -5.643 0.659 1.00 0.00 C ATOM 490 NE2 HIS A 30 -16.481 -5.462 -0.582 1.00 0.00 N ATOM 0 H HIS A 30 -14.582 -2.711 1.034 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.319 -4.089 3.543 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.822 -4.422 0.911 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.115 -5.644 2.132 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.408 -5.104 -1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -17.967 -5.886 0.887 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -17.005 -5.488 -1.456 1.00 0.00 H new ATOM 498 N ARG A 31 -12.605 -2.107 4.107 1.00 0.00 N ATOM 499 CA ARG A 31 -11.488 -1.457 4.767 1.00 0.00 C ATOM 500 C ARG A 31 -10.568 -2.465 5.455 1.00 0.00 C ATOM 501 O ARG A 31 -9.357 -2.270 5.507 1.00 0.00 O ATOM 502 CB ARG A 31 -12.049 -0.413 5.737 1.00 0.00 C ATOM 503 CG ARG A 31 -13.030 -0.995 6.774 1.00 0.00 C ATOM 504 CD ARG A 31 -14.045 0.064 7.212 1.00 0.00 C ATOM 505 NE ARG A 31 -14.872 0.485 6.071 1.00 0.00 N ATOM 506 CZ ARG A 31 -15.607 1.602 6.027 1.00 0.00 C ATOM 507 NH1 ARG A 31 -15.857 2.292 7.145 1.00 0.00 N ATOM 508 NH2 ARG A 31 -16.077 2.025 4.851 1.00 0.00 N ATOM 0 H ARG A 31 -13.509 -1.720 4.378 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.861 -0.957 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.221 0.065 6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.556 0.365 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.552 -1.852 6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.478 -1.357 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.681 -0.337 8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.524 0.926 7.629 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.886 -0.121 5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -15.487 1.967 8.038 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -16.418 3.143 7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -15.874 1.498 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -16.639 2.875 4.802 1.00 0.00 H new ATOM 522 N GLU A 32 -11.134 -3.576 5.934 1.00 0.00 N ATOM 523 CA GLU A 32 -10.407 -4.633 6.616 1.00 0.00 C ATOM 524 C GLU A 32 -9.621 -5.566 5.696 1.00 0.00 C ATOM 525 O GLU A 32 -9.060 -6.560 6.152 1.00 0.00 O ATOM 526 CB GLU A 32 -11.394 -5.406 7.503 1.00 0.00 C ATOM 527 CG GLU A 32 -12.318 -6.386 6.751 1.00 0.00 C ATOM 528 CD GLU A 32 -13.249 -5.740 5.728 1.00 0.00 C ATOM 529 OE1 GLU A 32 -13.696 -4.603 5.995 1.00 0.00 O ATOM 530 OE2 GLU A 32 -13.490 -6.386 4.686 1.00 0.00 O ATOM 0 H GLU A 32 -12.133 -3.763 5.853 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.635 -4.159 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.828 -5.964 8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.013 -4.689 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.700 -7.125 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.923 -6.924 7.481 1.00 0.00 H new ATOM 537 N TYR A 33 -9.582 -5.238 4.413 1.00 0.00 N ATOM 538 CA TYR A 33 -8.876 -5.980 3.383 1.00 0.00 C ATOM 539 C TYR A 33 -7.977 -5.032 2.589 1.00 0.00 C ATOM 540 O TYR A 33 -8.431 -4.318 1.692 1.00 0.00 O ATOM 541 CB TYR A 33 -9.876 -6.702 2.466 1.00 0.00 C ATOM 542 CG TYR A 33 -9.241 -7.361 1.250 1.00 0.00 C ATOM 543 CD1 TYR A 33 -8.049 -8.102 1.379 1.00 0.00 C ATOM 544 CD2 TYR A 33 -9.787 -7.147 -0.030 1.00 0.00 C ATOM 545 CE1 TYR A 33 -7.369 -8.553 0.236 1.00 0.00 C ATOM 546 CE2 TYR A 33 -9.132 -7.645 -1.169 1.00 0.00 C ATOM 547 CZ TYR A 33 -7.912 -8.328 -1.040 1.00 0.00 C ATOM 548 OH TYR A 33 -7.205 -8.661 -2.155 1.00 0.00 O ATOM 0 H TYR A 33 -10.061 -4.415 4.048 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.247 -6.738 3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.400 -7.462 3.045 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.625 -5.986 2.128 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.657 -8.324 2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.711 -6.599 -0.137 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.428 -9.073 0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.568 -7.502 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.729 -8.439 -2.953 1.00 0.00 H new ATOM 558 N ILE A 34 -6.672 -5.084 2.866 1.00 0.00 N ATOM 559 CA ILE A 34 -5.700 -4.275 2.151 1.00 0.00 C ATOM 560 C ILE A 34 -5.509 -5.008 0.823 1.00 0.00 C ATOM 561 O ILE A 34 -4.812 -6.019 0.728 1.00 0.00 O ATOM 562 CB ILE A 34 -4.402 -4.136 2.956 1.00 0.00 C ATOM 563 CG1 ILE A 34 -4.629 -3.673 4.409 1.00 0.00 C ATOM 564 CG2 ILE A 34 -3.491 -3.146 2.222 1.00 0.00 C ATOM 565 CD1 ILE A 34 -5.469 -2.400 4.569 1.00 0.00 C ATOM 0 H ILE A 34 -6.269 -5.684 3.586 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.028 -3.248 1.990 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.942 -5.122 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.114 -4.480 4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.658 -3.509 4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.559 -3.030 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.274 -3.523 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.990 -2.180 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.569 -2.161 5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.978 -1.573 4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.457 -2.560 4.138 1.00 0.00 H new ATOM 577 N SER A 35 -6.191 -4.474 -0.185 1.00 0.00 N ATOM 578 CA SER A 35 -6.390 -5.039 -1.501 1.00 0.00 C ATOM 579 C SER A 35 -5.186 -4.855 -2.418 1.00 0.00 C ATOM 580 O SER A 35 -5.032 -5.620 -3.364 1.00 0.00 O ATOM 581 CB SER A 35 -7.640 -4.376 -2.095 1.00 0.00 C ATOM 582 OG SER A 35 -8.717 -4.322 -1.163 1.00 0.00 O ATOM 0 H SER A 35 -6.650 -3.568 -0.089 1.00 0.00 H new ATOM 0 HA SER A 35 -6.519 -6.118 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.393 -3.366 -2.421 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.956 -4.928 -2.980 1.00 0.00 H new ATOM 0 HG SER A 35 -8.991 -5.233 -0.926 1.00 0.00 H new ATOM 588 N GLU A 36 -4.356 -3.837 -2.180 1.00 0.00 N ATOM 589 CA GLU A 36 -3.137 -3.601 -2.943 1.00 0.00 C ATOM 590 C GLU A 36 -2.314 -2.567 -2.186 1.00 0.00 C ATOM 591 O GLU A 36 -2.694 -2.161 -1.091 1.00 0.00 O ATOM 592 CB GLU A 36 -3.455 -3.155 -4.387 1.00 0.00 C ATOM 593 CG GLU A 36 -2.784 -4.057 -5.437 1.00 0.00 C ATOM 594 CD GLU A 36 -1.298 -3.767 -5.643 1.00 0.00 C ATOM 595 OE1 GLU A 36 -0.531 -4.015 -4.686 1.00 0.00 O ATOM 596 OE2 GLU A 36 -0.957 -3.291 -6.746 1.00 0.00 O ATOM 0 H GLU A 36 -4.516 -3.149 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.563 -4.522 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.534 -3.165 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.123 -2.127 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.903 -5.098 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.303 -3.938 -6.388 1.00 0.00 H new ATOM 603 N ARG A 37 -1.175 -2.169 -2.742 1.00 0.00 N ATOM 604 CA ARG A 37 -0.281 -1.185 -2.159 1.00 0.00 C ATOM 605 C ARG A 37 0.177 -0.201 -3.220 1.00 0.00 C ATOM 606 O ARG A 37 0.014 -0.440 -4.415 1.00 0.00 O ATOM 607 CB ARG A 37 0.943 -1.874 -1.546 1.00 0.00 C ATOM 608 CG ARG A 37 0.655 -2.457 -0.166 1.00 0.00 C ATOM 609 CD ARG A 37 0.209 -3.917 -0.240 1.00 0.00 C ATOM 610 NE ARG A 37 -0.111 -4.454 1.091 1.00 0.00 N ATOM 611 CZ ARG A 37 -1.144 -5.263 1.386 1.00 0.00 C ATOM 612 NH1 ARG A 37 -1.988 -5.690 0.437 1.00 0.00 N ATOM 613 NH2 ARG A 37 -1.334 -5.657 2.647 1.00 0.00 N ATOM 0 H ARG A 37 -0.842 -2.534 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.821 -0.651 -1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.278 -2.670 -2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.760 -1.156 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.550 -2.383 0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.120 -1.866 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.665 -3.998 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.998 -4.516 -0.695 1.00 0.00 H new ATOM 0 HE ARG A 37 0.506 -4.189 1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.854 -5.402 -0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.765 -6.303 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.698 -5.345 3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.116 -6.271 2.877 1.00 0.00 H new ATOM 627 N GLY A 38 0.765 0.901 -2.757 1.00 0.00 N ATOM 628 CA GLY A 38 1.300 1.931 -3.636 1.00 0.00 C ATOM 629 C GLY A 38 2.381 2.761 -2.952 1.00 0.00 C ATOM 630 O GLY A 38 2.733 2.506 -1.801 1.00 0.00 O ATOM 0 H GLY A 38 0.882 1.102 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.713 1.465 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.492 2.586 -3.961 1.00 0.00 H new ATOM 634 N CYS A 39 2.933 3.722 -3.697 1.00 0.00 N ATOM 635 CA CYS A 39 4.052 4.573 -3.305 1.00 0.00 C ATOM 636 C CYS A 39 3.575 5.954 -2.851 1.00 0.00 C ATOM 637 O CYS A 39 2.546 6.415 -3.330 1.00 0.00 O ATOM 638 CB CYS A 39 4.970 4.713 -4.518 1.00 0.00 C ATOM 639 SG CYS A 39 6.377 5.805 -4.275 1.00 0.00 S ATOM 0 H CYS A 39 2.593 3.936 -4.635 1.00 0.00 H new ATOM 0 HA CYS A 39 4.577 4.121 -2.463 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.338 3.725 -4.794 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.383 5.081 -5.360 1.00 0.00 H new ATOM 644 N GLY A 40 4.322 6.590 -1.938 1.00 0.00 N ATOM 645 CA GLY A 40 4.103 7.897 -1.333 1.00 0.00 C ATOM 646 C GLY A 40 2.673 8.461 -1.395 1.00 0.00 C ATOM 647 O GLY A 40 2.301 9.112 -2.362 1.00 0.00 O ATOM 0 H GLY A 40 5.171 6.157 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.400 7.840 -0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.771 8.611 -1.816 1.00 0.00 H new ATOM 651 N CYS A 41 1.944 8.221 -0.293 1.00 0.00 N ATOM 652 CA CYS A 41 0.610 8.628 0.155 1.00 0.00 C ATOM 653 C CYS A 41 -0.356 9.127 -0.963 1.00 0.00 C ATOM 654 O CYS A 41 -0.096 10.139 -1.606 1.00 0.00 O ATOM 655 CB CYS A 41 0.942 9.618 1.287 1.00 0.00 C ATOM 656 SG CYS A 41 -0.236 10.022 2.607 1.00 0.00 S ATOM 0 H CYS A 41 2.360 7.630 0.427 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.004 7.798 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.841 9.242 1.776 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.209 10.560 0.809 1.00 0.00 H new ATOM 661 N PRO A 42 -1.554 8.498 -1.048 1.00 0.00 N ATOM 662 CA PRO A 42 -2.597 8.567 -2.069 1.00 0.00 C ATOM 663 C PRO A 42 -2.250 8.690 -3.554 1.00 0.00 C ATOM 664 O PRO A 42 -1.168 9.070 -3.984 1.00 0.00 O ATOM 665 CB PRO A 42 -3.558 9.649 -1.606 1.00 0.00 C ATOM 666 CG PRO A 42 -3.728 9.179 -0.170 1.00 0.00 C ATOM 667 CD PRO A 42 -2.366 8.556 0.166 1.00 0.00 C ATOM 0 HA PRO A 42 -3.013 7.561 -2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.137 10.652 -1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.494 9.655 -2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.967 10.007 0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.535 8.453 -0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.860 9.147 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.501 7.555 0.576 1.00 0.00 H new ATOM 675 N THR A 43 -3.265 8.297 -4.330 1.00 0.00 N ATOM 676 CA THR A 43 -3.396 8.256 -5.786 1.00 0.00 C ATOM 677 C THR A 43 -4.848 7.898 -6.085 1.00 0.00 C ATOM 678 O THR A 43 -5.592 8.558 -6.805 1.00 0.00 O ATOM 679 CB THR A 43 -2.454 7.224 -6.447 1.00 0.00 C ATOM 680 OG1 THR A 43 -1.120 7.301 -5.986 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.454 7.433 -7.956 1.00 0.00 C ATOM 0 H THR A 43 -4.122 7.957 -3.893 1.00 0.00 H new ATOM 0 HA THR A 43 -3.115 9.225 -6.198 1.00 0.00 H new ATOM 0 HB THR A 43 -2.837 6.240 -6.176 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.989 8.143 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.790 6.706 -8.424 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.465 7.302 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.107 8.441 -8.184 1.00 0.00 H new ATOM 689 N ALA A 44 -5.155 6.781 -5.455 1.00 0.00 N ATOM 690 CA ALA A 44 -6.395 6.024 -5.388 1.00 0.00 C ATOM 691 C ALA A 44 -7.615 6.924 -5.187 1.00 0.00 C ATOM 692 O ALA A 44 -7.547 7.927 -4.479 1.00 0.00 O ATOM 693 CB ALA A 44 -6.300 5.045 -4.214 1.00 0.00 C ATOM 0 H ALA A 44 -4.438 6.316 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.525 5.501 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.222 4.467 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.459 4.370 -4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.152 5.601 -3.288 1.00 0.00 H new ATOM 699 N MET A 45 -8.733 6.534 -5.801 1.00 0.00 N ATOM 700 CA MET A 45 -10.014 7.191 -5.752 1.00 0.00 C ATOM 701 C MET A 45 -11.090 6.114 -5.593 1.00 0.00 C ATOM 702 O MET A 45 -10.785 4.920 -5.627 1.00 0.00 O ATOM 703 CB MET A 45 -10.188 7.950 -7.068 1.00 0.00 C ATOM 704 CG MET A 45 -9.210 9.126 -7.182 1.00 0.00 C ATOM 705 SD MET A 45 -9.442 10.166 -8.644 1.00 0.00 S ATOM 706 CE MET A 45 -8.009 11.251 -8.461 1.00 0.00 C ATOM 0 H MET A 45 -8.755 5.695 -6.380 1.00 0.00 H new ATOM 0 HA MET A 45 -10.090 7.890 -4.919 1.00 0.00 H new ATOM 0 HB2 MET A 45 -10.035 7.268 -7.904 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.211 8.320 -7.142 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.306 9.748 -6.292 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.193 8.735 -7.189 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.987 11.967 -9.283 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.077 11.787 -7.514 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.097 10.655 -8.476 1.00 0.00 H new ATOM 716 N TRP A 46 -12.349 6.531 -5.432 1.00 0.00 N ATOM 717 CA TRP A 46 -13.487 5.628 -5.311 1.00 0.00 C ATOM 718 C TRP A 46 -13.453 4.627 -6.483 1.00 0.00 C ATOM 719 O TRP A 46 -13.159 5.046 -7.603 1.00 0.00 O ATOM 720 CB TRP A 46 -14.771 6.471 -5.338 1.00 0.00 C ATOM 721 CG TRP A 46 -16.015 5.826 -4.820 1.00 0.00 C ATOM 722 CD1 TRP A 46 -16.198 5.276 -3.600 1.00 0.00 C ATOM 723 CD2 TRP A 46 -17.290 5.704 -5.500 1.00 0.00 C ATOM 724 NE1 TRP A 46 -17.469 4.741 -3.513 1.00 0.00 N ATOM 725 CE2 TRP A 46 -18.194 4.994 -4.662 1.00 0.00 C ATOM 726 CE3 TRP A 46 -17.765 6.144 -6.747 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -19.507 4.703 -5.062 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -19.079 5.860 -7.163 1.00 0.00 C ATOM 729 CH2 TRP A 46 -19.947 5.135 -6.325 1.00 0.00 C ATOM 0 H TRP A 46 -12.605 7.517 -5.382 1.00 0.00 H new ATOM 0 HA TRP A 46 -13.451 5.066 -4.378 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -14.593 7.378 -4.760 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -14.952 6.780 -6.368 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -15.461 5.257 -2.811 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -17.825 4.227 -2.707 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -17.112 6.709 -7.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -20.170 4.155 -4.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -19.423 6.200 -8.129 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -20.951 4.911 -6.653 1.00 0.00 H new ATOM 740 N PRO A 47 -13.737 3.326 -6.290 1.00 0.00 N ATOM 741 CA PRO A 47 -14.235 2.681 -5.081 1.00 0.00 C ATOM 742 C PRO A 47 -13.147 2.294 -4.070 1.00 0.00 C ATOM 743 O PRO A 47 -13.444 1.555 -3.133 1.00 0.00 O ATOM 744 CB PRO A 47 -14.965 1.437 -5.597 1.00 0.00 C ATOM 745 CG PRO A 47 -14.101 1.022 -6.786 1.00 0.00 C ATOM 746 CD PRO A 47 -13.716 2.373 -7.389 1.00 0.00 C ATOM 0 HA PRO A 47 -14.869 3.368 -4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.019 0.654 -4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.989 1.661 -5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.227 0.451 -6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -14.652 0.402 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.728 2.328 -7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -14.417 2.665 -8.171 1.00 0.00 H new ATOM 754 N TYR A 48 -11.905 2.763 -4.220 1.00 0.00 N ATOM 755 CA TYR A 48 -10.832 2.441 -3.290 1.00 0.00 C ATOM 756 C TYR A 48 -10.583 3.573 -2.311 1.00 0.00 C ATOM 757 O TYR A 48 -11.034 4.705 -2.495 1.00 0.00 O ATOM 758 CB TYR A 48 -9.524 2.201 -4.051 1.00 0.00 C ATOM 759 CG TYR A 48 -9.517 0.915 -4.850 1.00 0.00 C ATOM 760 CD1 TYR A 48 -9.174 -0.299 -4.229 1.00 0.00 C ATOM 761 CD2 TYR A 48 -9.873 0.929 -6.212 1.00 0.00 C ATOM 762 CE1 TYR A 48 -9.136 -1.487 -4.978 1.00 0.00 C ATOM 763 CE2 TYR A 48 -9.855 -0.264 -6.955 1.00 0.00 C ATOM 764 CZ TYR A 48 -9.477 -1.470 -6.339 1.00 0.00 C ATOM 765 OH TYR A 48 -9.451 -2.630 -7.053 1.00 0.00 O ATOM 0 H TYR A 48 -11.621 3.373 -4.987 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.142 1.547 -2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.346 3.039 -4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.698 2.182 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.939 -0.318 -3.175 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.160 1.856 -6.686 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.844 -2.414 -4.506 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.131 -0.254 -7.999 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.714 -2.450 -7.980 1.00 0.00 H new ATOM 775 N GLN A 49 -9.836 3.237 -1.263 1.00 0.00 N ATOM 776 CA GLN A 49 -9.279 4.192 -0.335 1.00 0.00 C ATOM 777 C GLN A 49 -7.948 3.631 0.131 1.00 0.00 C ATOM 778 O GLN A 49 -7.683 2.436 0.062 1.00 0.00 O ATOM 779 CB GLN A 49 -10.233 4.528 0.794 1.00 0.00 C ATOM 780 CG GLN A 49 -9.724 5.570 1.801 1.00 0.00 C ATOM 781 CD GLN A 49 -9.345 6.875 1.103 1.00 0.00 C ATOM 782 OE1 GLN A 49 -8.170 7.133 0.858 1.00 0.00 O ATOM 783 NE2 GLN A 49 -10.333 7.677 0.719 1.00 0.00 N ATOM 0 H GLN A 49 -9.601 2.270 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.115 5.154 -0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.166 4.891 0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.467 3.610 1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.494 5.764 2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.858 5.174 2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.300 7.436 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.124 8.534 0.206 1.00 0.00 H new ATOM 792 N THR A 50 -7.100 4.554 0.534 1.00 0.00 N ATOM 793 CA THR A 50 -5.723 4.342 0.939 1.00 0.00 C ATOM 794 C THR A 50 -5.412 4.828 2.353 1.00 0.00 C ATOM 795 O THR A 50 -5.982 5.814 2.813 1.00 0.00 O ATOM 796 CB THR A 50 -4.835 5.105 -0.054 1.00 0.00 C ATOM 797 OG1 THR A 50 -5.521 6.229 -0.580 1.00 0.00 O ATOM 798 CG2 THR A 50 -4.450 4.194 -1.211 1.00 0.00 C ATOM 0 H THR A 50 -7.370 5.536 0.592 1.00 0.00 H new ATOM 0 HA THR A 50 -5.536 3.268 0.939 1.00 0.00 H new ATOM 0 HB THR A 50 -3.944 5.438 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.005 6.609 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.820 4.742 -1.912 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.903 3.332 -0.829 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.351 3.855 -1.722 1.00 0.00 H new ATOM 806 N GLU A 51 -4.469 4.143 3.011 1.00 0.00 N ATOM 807 CA GLU A 51 -3.891 4.542 4.294 1.00 0.00 C ATOM 808 C GLU A 51 -2.369 4.545 4.094 1.00 0.00 C ATOM 809 O GLU A 51 -1.832 3.614 3.495 1.00 0.00 O ATOM 810 CB GLU A 51 -4.375 3.664 5.456 1.00 0.00 C ATOM 811 CG GLU A 51 -4.063 2.186 5.236 1.00 0.00 C ATOM 812 CD GLU A 51 -4.759 1.262 6.231 1.00 0.00 C ATOM 813 OE1 GLU A 51 -5.976 1.455 6.439 1.00 0.00 O ATOM 814 OE2 GLU A 51 -4.058 0.372 6.759 1.00 0.00 O ATOM 0 H GLU A 51 -4.078 3.272 2.653 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.223 5.537 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.905 3.998 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.450 3.791 5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.359 1.907 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.986 2.036 5.305 1.00 0.00 H new ATOM 821 N CYS A 52 -1.681 5.607 4.527 1.00 0.00 N ATOM 822 CA CYS A 52 -0.258 5.813 4.283 1.00 0.00 C ATOM 823 C CYS A 52 0.621 5.300 5.418 1.00 0.00 C ATOM 824 O CYS A 52 0.145 5.067 6.526 1.00 0.00 O ATOM 825 CB CYS A 52 0.014 7.309 4.126 1.00 0.00 C ATOM 826 SG CYS A 52 -1.150 8.205 3.088 1.00 0.00 S ATOM 0 H CYS A 52 -2.110 6.359 5.067 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.011 5.254 3.380 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.017 7.766 5.116 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.015 7.437 3.713 1.00 0.00 H new ATOM 831 N CYS A 53 1.921 5.173 5.140 1.00 0.00 N ATOM 832 CA CYS A 53 2.952 4.820 6.107 1.00 0.00 C ATOM 833 C CYS A 53 4.305 5.249 5.548 1.00 0.00 C ATOM 834 O CYS A 53 4.408 5.594 4.371 1.00 0.00 O ATOM 835 CB CYS A 53 2.949 3.320 6.412 1.00 0.00 C ATOM 836 SG CYS A 53 3.420 2.252 5.034 1.00 0.00 S ATOM 0 H CYS A 53 2.293 5.319 4.202 1.00 0.00 H new ATOM 0 HA CYS A 53 2.752 5.336 7.046 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.629 3.134 7.244 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.951 3.036 6.746 1.00 0.00 H new ATOM 841 N LYS A 54 5.333 5.248 6.399 1.00 0.00 N ATOM 842 CA LYS A 54 6.704 5.562 6.068 1.00 0.00 C ATOM 843 C LYS A 54 7.581 4.449 6.635 1.00 0.00 C ATOM 844 O LYS A 54 7.258 3.903 7.689 1.00 0.00 O ATOM 845 CB LYS A 54 7.082 6.921 6.667 1.00 0.00 C ATOM 846 CG LYS A 54 6.532 7.159 8.085 1.00 0.00 C ATOM 847 CD LYS A 54 7.129 8.404 8.763 1.00 0.00 C ATOM 848 CE LYS A 54 6.372 9.707 8.468 1.00 0.00 C ATOM 849 NZ LYS A 54 6.428 10.095 7.049 1.00 0.00 N ATOM 0 H LYS A 54 5.214 5.015 7.385 1.00 0.00 H new ATOM 0 HA LYS A 54 6.843 5.627 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.168 7.005 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.716 7.710 6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.448 7.265 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.739 6.283 8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.146 8.243 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.164 8.518 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.330 9.591 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.790 10.510 9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.246 11.115 6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.370 9.877 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.707 9.567 6.516 1.00 0.00 H new ATOM 863 N GLY A 55 8.675 4.126 5.941 1.00 0.00 N ATOM 864 CA GLY A 55 9.622 3.103 6.365 1.00 0.00 C ATOM 865 C GLY A 55 9.673 1.931 5.388 1.00 0.00 C ATOM 866 O GLY A 55 8.710 1.637 4.675 1.00 0.00 O ATOM 0 H GLY A 55 8.927 4.575 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.615 3.543 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.344 2.739 7.354 1.00 0.00 H new ATOM 870 N ASP A 56 10.830 1.271 5.341 1.00 0.00 N ATOM 871 CA ASP A 56 11.057 0.127 4.482 1.00 0.00 C ATOM 872 C ASP A 56 10.026 -0.947 4.810 1.00 0.00 C ATOM 873 O ASP A 56 9.869 -1.314 5.971 1.00 0.00 O ATOM 874 CB ASP A 56 12.492 -0.383 4.657 1.00 0.00 C ATOM 875 CG ASP A 56 12.827 -0.737 6.101 1.00 0.00 C ATOM 876 OD1 ASP A 56 12.857 0.213 6.915 1.00 0.00 O ATOM 877 OD2 ASP A 56 13.063 -1.939 6.355 1.00 0.00 O ATOM 0 H ASP A 56 11.640 1.524 5.907 1.00 0.00 H new ATOM 0 HA ASP A 56 10.940 0.408 3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.638 -1.263 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.188 0.379 4.305 1.00 0.00 H new ATOM 882 N ARG A 57 9.289 -1.402 3.793 1.00 0.00 N ATOM 883 CA ARG A 57 8.263 -2.430 3.925 1.00 0.00 C ATOM 884 C ARG A 57 7.184 -2.046 4.952 1.00 0.00 C ATOM 885 O ARG A 57 6.523 -2.930 5.494 1.00 0.00 O ATOM 886 CB ARG A 57 8.945 -3.761 4.286 1.00 0.00 C ATOM 887 CG ARG A 57 9.879 -4.242 3.165 1.00 0.00 C ATOM 888 CD ARG A 57 10.864 -5.289 3.690 1.00 0.00 C ATOM 889 NE ARG A 57 11.795 -4.683 4.653 1.00 0.00 N ATOM 890 CZ ARG A 57 12.773 -5.332 5.298 1.00 0.00 C ATOM 891 NH1 ARG A 57 12.975 -6.636 5.085 1.00 0.00 N ATOM 892 NH2 ARG A 57 13.543 -4.659 6.157 1.00 0.00 N ATOM 0 H ARG A 57 9.394 -1.057 2.839 1.00 0.00 H new ATOM 0 HA ARG A 57 7.741 -2.535 2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.514 -3.640 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.186 -4.519 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.290 -4.666 2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.427 -3.394 2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.318 -6.104 4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.421 -5.721 2.859 1.00 0.00 H new ATOM 0 HE ARG A 57 11.687 -3.687 4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.382 -7.143 4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.722 -7.124 5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.382 -3.664 6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.292 -5.140 6.656 1.00 0.00 H new ATOM 906 N CYS A 58 6.955 -0.750 5.211 1.00 0.00 N ATOM 907 CA CYS A 58 5.943 -0.343 6.182 1.00 0.00 C ATOM 908 C CYS A 58 4.532 -0.736 5.747 1.00 0.00 C ATOM 909 O CYS A 58 3.684 -1.048 6.582 1.00 0.00 O ATOM 910 CB CYS A 58 6.006 1.172 6.398 1.00 0.00 C ATOM 911 SG CYS A 58 5.505 2.222 5.003 1.00 0.00 S ATOM 0 H CYS A 58 7.452 0.021 4.765 1.00 0.00 H new ATOM 0 HA CYS A 58 6.161 -0.865 7.114 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.376 1.419 7.252 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.029 1.434 6.670 1.00 0.00 H new ATOM 916 N ASN A 59 4.270 -0.727 4.440 1.00 0.00 N ATOM 917 CA ASN A 59 2.952 -0.971 3.866 1.00 0.00 C ATOM 918 C ASN A 59 2.610 -2.461 3.804 1.00 0.00 C ATOM 919 O ASN A 59 2.200 -2.965 2.759 1.00 0.00 O ATOM 920 CB ASN A 59 2.881 -0.300 2.486 1.00 0.00 C ATOM 921 CG ASN A 59 3.887 -0.871 1.493 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.895 -1.463 1.868 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.625 -0.668 0.208 1.00 0.00 N ATOM 0 H ASN A 59 4.986 -0.545 3.737 1.00 0.00 H new ATOM 0 HA ASN A 59 2.196 -0.530 4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.875 -0.416 2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.057 0.770 2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.271 -1.008 -0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.777 -0.172 -0.067 1.00 0.00 H new ATOM 930 N LYS A 60 2.778 -3.158 4.926 1.00 0.00 N ATOM 931 CA LYS A 60 2.443 -4.568 5.039 1.00 0.00 C ATOM 932 C LYS A 60 0.928 -4.689 5.223 1.00 0.00 C ATOM 933 O LYS A 60 0.351 -3.786 5.873 1.00 0.00 O ATOM 934 CB LYS A 60 3.244 -5.198 6.192 1.00 0.00 C ATOM 935 CG LYS A 60 2.747 -4.792 7.586 1.00 0.00 C ATOM 936 CD LYS A 60 1.774 -5.839 8.155 1.00 0.00 C ATOM 937 CE LYS A 60 0.813 -5.206 9.167 1.00 0.00 C ATOM 938 NZ LYS A 60 -0.292 -4.513 8.478 1.00 0.00 N ATOM 939 OXT LYS A 60 0.364 -5.682 4.716 1.00 0.00 O ATOM 0 H LYS A 60 3.153 -2.754 5.785 1.00 0.00 H new ATOM 0 HA LYS A 60 2.715 -5.117 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.199 -6.283 6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.291 -4.913 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.597 -4.677 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.251 -3.823 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.205 -6.291 7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.336 -6.640 8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.411 -5.977 9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.354 -4.500 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.548 -3.655 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.008 -4.250 7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.117 -5.144 8.422 1.00 0.00 H new