USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 493 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 34 HIS : no HE2:sc= -8.78! C(o=-13!,f=-18!) USER MOD Set 1.2: A 49 CYS SG : rot 48:sc= -2.34 USER MOD Set 1.3: A 50 CYS SG : rot 180:sc= -0.42 USER MOD Set 1.4: A 66 CYS SG : rot -126:sc= -0.582 USER MOD Set 1.5: A 67 THR OG1 : rot -110:sc= -0.647 USER MOD Set 2.1: A 12 CYS SG : rot 148:sc= -1.21 USER MOD Set 2.2: A 14 ASN : amide:sc= -6.99! C(o=-18!,f=-23!) USER MOD Set 2.3: A 17 CYS SG : rot -157:sc= 0.319 USER MOD Set 2.4: A 31 CYS SG : rot 46:sc= -0.821 USER MOD Set 2.5: A 71 HIS : no HD1:sc= -6.48! C(o=-18!,f=-20!) USER MOD Set 2.6: A 72 ASN : amide:sc= -2.4! X(o=-18!,f=-17) USER MOD Single : A 8 MET CE :methyl -135:sc= 0 (180deg=-0.063) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.021) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.784 USER MOD Single : A 26 ASN : amide:sc= -3.65! C(o=-3.7!,f=-17!) USER MOD Single : A 27 SER OG : rot 13:sc= 0.0536 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -4.92! C(o=-4.9!,f=-10!) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.608 (180deg=-1.88!) USER MOD Single : A 48 SER OG : rot -37:sc= 0.865 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 160:sc= 0.0555 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= -0.016 (180deg=-0.169) USER MOD Single : A 73 SER OG : rot 60:sc= 0.575 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -0.557 14.186 -0.868 1.00 0.00 N ATOM 67 CA MET A 8 0.867 14.117 -1.175 1.00 0.00 C ATOM 68 C MET A 8 1.397 12.699 -0.986 1.00 0.00 C ATOM 69 O MET A 8 2.606 12.470 -1.005 1.00 0.00 O ATOM 70 CB MET A 8 1.649 15.088 -0.288 1.00 0.00 C ATOM 71 CG MET A 8 1.166 15.119 1.153 1.00 0.00 C ATOM 72 SD MET A 8 1.787 16.545 2.064 1.00 0.00 S ATOM 73 CE MET A 8 0.711 17.837 1.446 1.00 0.00 C ATOM 0 HA MET A 8 1.002 14.400 -2.219 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.703 14.812 -0.303 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.576 16.091 -0.709 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.076 15.131 1.166 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.481 14.205 1.657 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.303 18.720 1.207 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.202 17.488 0.548 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.028 18.090 2.207 1.00 0.00 H new ATOM 83 N ALA A 9 0.484 11.751 -0.804 1.00 0.00 N ATOM 84 CA ALA A 9 0.857 10.355 -0.613 1.00 0.00 C ATOM 85 C ALA A 9 1.158 9.680 -1.948 1.00 0.00 C ATOM 86 O ALA A 9 0.248 9.223 -2.642 1.00 0.00 O ATOM 87 CB ALA A 9 -0.245 9.608 0.122 1.00 0.00 C ATOM 0 H ALA A 9 -0.521 11.925 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 9 1.763 10.327 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.049 8.567 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.409 10.068 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.166 9.653 -0.460 1.00 0.00 H new ATOM 93 N LEU A 10 2.436 9.622 -2.302 1.00 0.00 N ATOM 94 CA LEU A 10 2.856 9.003 -3.555 1.00 0.00 C ATOM 95 C LEU A 10 2.896 7.484 -3.425 1.00 0.00 C ATOM 96 O LEU A 10 3.354 6.948 -2.415 1.00 0.00 O ATOM 97 CB LEU A 10 4.231 9.528 -3.970 1.00 0.00 C ATOM 98 CG LEU A 10 4.422 11.043 -3.896 1.00 0.00 C ATOM 99 CD1 LEU A 10 5.698 11.455 -4.612 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.219 11.762 -4.488 1.00 0.00 C ATOM 0 H LEU A 10 3.200 9.996 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 10 2.128 9.264 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.984 9.056 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.427 9.207 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 10 4.510 11.328 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.818 12.537 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.552 10.968 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.640 11.157 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.373 12.839 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.099 11.471 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.323 11.491 -3.930 1.00 0.00 H new ATOM 112 N LEU A 11 2.415 6.795 -4.454 1.00 0.00 N ATOM 113 CA LEU A 11 2.398 5.336 -4.457 1.00 0.00 C ATOM 114 C LEU A 11 3.769 4.776 -4.814 1.00 0.00 C ATOM 115 O LEU A 11 4.320 5.080 -5.873 1.00 0.00 O ATOM 116 CB LEU A 11 1.350 4.821 -5.446 1.00 0.00 C ATOM 117 CG LEU A 11 1.296 3.304 -5.636 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.546 2.592 -4.316 1.00 0.00 C ATOM 119 CD2 LEU A 11 -0.046 2.889 -6.223 1.00 0.00 C ATOM 0 H LEU A 11 2.032 7.223 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 11 2.139 4.998 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.369 5.161 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.537 5.282 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 11 2.081 3.015 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.504 1.514 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.530 2.866 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.784 2.885 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.068 1.807 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.847 3.190 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.185 3.372 -7.190 1.00 0.00 H new ATOM 131 N CYS A 12 4.318 3.954 -3.925 1.00 0.00 N ATOM 132 CA CYS A 12 5.625 3.349 -4.146 1.00 0.00 C ATOM 133 C CYS A 12 5.545 2.251 -5.203 1.00 0.00 C ATOM 134 O CYS A 12 4.540 1.548 -5.308 1.00 0.00 O ATOM 135 CB CYS A 12 6.172 2.773 -2.838 1.00 0.00 C ATOM 136 SG CYS A 12 7.922 2.276 -2.919 1.00 0.00 S ATOM 0 H CYS A 12 3.876 3.692 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 12 6.301 4.126 -4.504 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.052 3.515 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.572 1.908 -2.556 1.00 0.00 H new ATOM 0 HG CYS A 12 8.477 2.449 -1.756 1.00 0.00 H new ATOM 141 N TYR A 13 6.610 2.111 -5.984 1.00 0.00 N ATOM 142 CA TYR A 13 6.660 1.101 -7.034 1.00 0.00 C ATOM 143 C TYR A 13 7.891 0.213 -6.878 1.00 0.00 C ATOM 144 O TYR A 13 8.464 -0.251 -7.863 1.00 0.00 O ATOM 145 CB TYR A 13 6.669 1.767 -8.411 1.00 0.00 C ATOM 146 CG TYR A 13 5.363 2.438 -8.767 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.294 1.703 -9.268 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.194 3.808 -8.603 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.099 2.313 -9.596 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.002 4.425 -8.927 1.00 0.00 C ATOM 151 CZ TYR A 13 2.957 3.674 -9.423 1.00 0.00 C ATOM 152 OH TYR A 13 1.768 4.285 -9.747 1.00 0.00 O ATOM 0 H TYR A 13 7.450 2.684 -5.910 1.00 0.00 H new ATOM 0 HA TYR A 13 5.771 0.477 -6.945 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.468 2.507 -8.442 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.900 1.016 -9.167 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.400 0.637 -9.403 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.010 4.400 -8.215 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.280 1.727 -9.986 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.889 5.491 -8.793 1.00 0.00 H new ATOM 0 HH TYR A 13 1.833 5.246 -9.565 1.00 0.00 H new ATOM 162 N ASN A 14 8.292 -0.019 -5.632 1.00 0.00 N ATOM 163 CA ASN A 14 9.455 -0.851 -5.345 1.00 0.00 C ATOM 164 C ASN A 14 9.030 -2.257 -4.935 1.00 0.00 C ATOM 165 O ASN A 14 8.177 -2.429 -4.063 1.00 0.00 O ATOM 166 CB ASN A 14 10.299 -0.218 -4.238 1.00 0.00 C ATOM 167 CG ASN A 14 10.839 1.145 -4.629 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.306 1.341 -5.750 1.00 0.00 O ATOM 169 ND2 ASN A 14 10.773 2.094 -3.703 1.00 0.00 N ATOM 0 H ASN A 14 7.829 0.358 -4.805 1.00 0.00 H new ATOM 0 HA ASN A 14 10.053 -0.922 -6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.696 -0.121 -3.335 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.131 -0.879 -3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.118 3.032 -3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.377 1.885 -2.786 1.00 0.00 H new ATOM 176 N ARG A 15 9.628 -3.260 -5.569 1.00 0.00 N ATOM 177 CA ARG A 15 9.311 -4.651 -5.270 1.00 0.00 C ATOM 178 C ARG A 15 9.373 -4.912 -3.768 1.00 0.00 C ATOM 179 O ARG A 15 10.431 -4.795 -3.150 1.00 0.00 O ATOM 180 CB ARG A 15 10.278 -5.585 -6.002 1.00 0.00 C ATOM 181 CG ARG A 15 10.119 -5.564 -7.513 1.00 0.00 C ATOM 182 CD ARG A 15 10.861 -6.719 -8.167 1.00 0.00 C ATOM 183 NE ARG A 15 10.028 -7.915 -8.272 1.00 0.00 N ATOM 184 CZ ARG A 15 8.905 -7.968 -8.979 1.00 0.00 C ATOM 185 NH1 ARG A 15 8.483 -6.900 -9.641 1.00 0.00 N ATOM 186 NH2 ARG A 15 8.201 -9.092 -9.026 1.00 0.00 N ATOM 0 H ARG A 15 10.335 -3.135 -6.293 1.00 0.00 H new ATOM 0 HA ARG A 15 8.296 -4.848 -5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.301 -5.306 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.128 -6.603 -5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.061 -5.618 -7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.495 -4.619 -7.906 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.193 -6.420 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.755 -6.950 -7.588 1.00 0.00 H new ATOM 0 HE ARG A 15 10.325 -8.755 -7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.021 -6.034 -9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.620 -6.944 -10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.522 -9.917 -8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.339 -9.131 -9.569 1.00 0.00 H new ATOM 200 N GLY A 16 8.231 -5.267 -3.187 1.00 0.00 N ATOM 201 CA GLY A 16 8.177 -5.539 -1.763 1.00 0.00 C ATOM 202 C GLY A 16 7.455 -4.452 -0.992 1.00 0.00 C ATOM 203 O GLY A 16 7.077 -4.646 0.164 1.00 0.00 O ATOM 0 H GLY A 16 7.343 -5.371 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.675 -6.492 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.191 -5.641 -1.377 1.00 0.00 H new ATOM 207 N CYS A 17 7.261 -3.304 -1.632 1.00 0.00 N ATOM 208 CA CYS A 17 6.582 -2.180 -1.000 1.00 0.00 C ATOM 209 C CYS A 17 5.203 -1.961 -1.617 1.00 0.00 C ATOM 210 O CYS A 17 4.179 -2.225 -0.988 1.00 0.00 O ATOM 211 CB CYS A 17 7.420 -0.908 -1.134 1.00 0.00 C ATOM 212 SG CYS A 17 7.200 0.276 0.233 1.00 0.00 S ATOM 0 H CYS A 17 7.565 -3.128 -2.590 1.00 0.00 H new ATOM 0 HA CYS A 17 6.456 -2.413 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.473 -1.184 -1.195 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.165 -0.415 -2.072 1.00 0.00 H new ATOM 0 HG CYS A 17 7.528 1.468 -0.168 1.00 0.00 H new ATOM 217 N GLY A 18 5.186 -1.476 -2.855 1.00 0.00 N ATOM 218 CA GLY A 18 3.929 -1.230 -3.538 1.00 0.00 C ATOM 219 C GLY A 18 2.932 -0.490 -2.668 1.00 0.00 C ATOM 220 O GLY A 18 1.731 -0.507 -2.939 1.00 0.00 O ATOM 0 H GLY A 18 6.020 -1.249 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.117 -0.651 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.498 -2.180 -3.852 1.00 0.00 H new ATOM 224 N GLN A 19 3.431 0.158 -1.621 1.00 0.00 N ATOM 225 CA GLN A 19 2.573 0.905 -0.707 1.00 0.00 C ATOM 226 C GLN A 19 2.760 2.407 -0.891 1.00 0.00 C ATOM 227 O GLN A 19 3.707 2.850 -1.542 1.00 0.00 O ATOM 228 CB GLN A 19 2.873 0.515 0.741 1.00 0.00 C ATOM 229 CG GLN A 19 2.424 -0.893 1.098 1.00 0.00 C ATOM 230 CD GLN A 19 2.033 -1.029 2.556 1.00 0.00 C ATOM 231 OE1 GLN A 19 2.558 -1.878 3.276 1.00 0.00 O ATOM 232 NE2 GLN A 19 1.102 -0.191 2.999 1.00 0.00 N ATOM 0 H GLN A 19 4.423 0.181 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 19 1.537 0.656 -0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.945 0.601 0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.383 1.224 1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.576 -1.170 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.228 -1.594 0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.693 0.498 2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.796 -0.236 3.971 1.00 0.00 H new ATOM 241 N ARG A 20 1.851 3.186 -0.313 1.00 0.00 N ATOM 242 CA ARG A 20 1.915 4.639 -0.414 1.00 0.00 C ATOM 243 C ARG A 20 2.997 5.201 0.504 1.00 0.00 C ATOM 244 O ARG A 20 3.590 4.473 1.300 1.00 0.00 O ATOM 245 CB ARG A 20 0.561 5.257 -0.062 1.00 0.00 C ATOM 246 CG ARG A 20 -0.532 4.945 -1.071 1.00 0.00 C ATOM 247 CD ARG A 20 -0.516 5.928 -2.231 1.00 0.00 C ATOM 248 NE ARG A 20 -1.844 6.111 -2.811 1.00 0.00 N ATOM 249 CZ ARG A 20 -2.761 6.926 -2.303 1.00 0.00 C ATOM 250 NH1 ARG A 20 -2.495 7.629 -1.211 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.946 7.039 -2.888 1.00 0.00 N ATOM 0 H ARG A 20 1.062 2.835 0.230 1.00 0.00 H new ATOM 0 HA ARG A 20 2.167 4.895 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.251 4.897 0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.674 6.338 0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.401 3.931 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.504 4.978 -0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.135 6.889 -1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.169 5.571 -3.000 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.080 5.584 -3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.584 7.544 -0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.201 8.254 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.153 6.500 -3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.650 7.665 -2.497 1.00 0.00 H new ATOM 265 N PHE A 21 3.250 6.501 0.387 1.00 0.00 N ATOM 266 CA PHE A 21 4.260 7.161 1.204 1.00 0.00 C ATOM 267 C PHE A 21 4.217 8.673 1.008 1.00 0.00 C ATOM 268 O PHE A 21 3.623 9.169 0.050 1.00 0.00 O ATOM 269 CB PHE A 21 5.653 6.630 0.858 1.00 0.00 C ATOM 270 CG PHE A 21 6.151 7.085 -0.483 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.827 6.383 -1.633 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.944 8.216 -0.595 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.285 6.800 -2.868 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.405 8.638 -1.828 1.00 0.00 C ATOM 275 CZ PHE A 21 7.075 7.929 -2.966 1.00 0.00 C ATOM 0 H PHE A 21 2.768 7.118 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 21 4.044 6.942 2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.357 6.951 1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.633 5.540 0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.209 5.500 -1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.205 8.774 0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.025 6.244 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.022 9.521 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.434 8.256 -3.931 1.00 0.00 H new ATOM 285 N ASP A 22 4.849 9.401 1.922 1.00 0.00 N ATOM 286 CA ASP A 22 4.884 10.857 1.850 1.00 0.00 C ATOM 287 C ASP A 22 6.271 11.348 1.443 1.00 0.00 C ATOM 288 O ASP A 22 7.285 10.970 2.028 1.00 0.00 O ATOM 289 CB ASP A 22 4.490 11.465 3.197 1.00 0.00 C ATOM 290 CG ASP A 22 3.382 10.687 3.881 1.00 0.00 C ATOM 291 OD1 ASP A 22 3.665 9.587 4.400 1.00 0.00 O ATOM 292 OD2 ASP A 22 2.233 11.177 3.895 1.00 0.00 O ATOM 0 H ASP A 22 5.344 9.006 2.722 1.00 0.00 H new ATOM 0 HA ASP A 22 4.168 11.176 1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.364 11.496 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.168 12.495 3.047 1.00 0.00 H new ATOM 297 N PRO A 23 6.316 12.210 0.416 1.00 0.00 N ATOM 298 CA PRO A 23 7.570 12.770 -0.092 1.00 0.00 C ATOM 299 C PRO A 23 8.205 13.752 0.887 1.00 0.00 C ATOM 300 O PRO A 23 9.415 13.722 1.112 1.00 0.00 O ATOM 301 CB PRO A 23 7.144 13.493 -1.372 1.00 0.00 C ATOM 302 CG PRO A 23 5.707 13.822 -1.160 1.00 0.00 C ATOM 303 CD PRO A 23 5.144 12.704 -0.327 1.00 0.00 C ATOM 0 HA PRO A 23 8.324 12.000 -0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.737 14.393 -1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.280 12.860 -2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.597 14.780 -0.652 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.181 13.903 -2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.362 13.058 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.703 11.924 -0.947 1.00 0.00 H new ATOM 311 N GLU A 24 7.382 14.619 1.467 1.00 0.00 N ATOM 312 CA GLU A 24 7.865 15.610 2.422 1.00 0.00 C ATOM 313 C GLU A 24 8.462 14.933 3.652 1.00 0.00 C ATOM 314 O GLU A 24 9.120 15.575 4.472 1.00 0.00 O ATOM 315 CB GLU A 24 6.727 16.543 2.841 1.00 0.00 C ATOM 316 CG GLU A 24 5.366 15.870 2.868 1.00 0.00 C ATOM 317 CD GLU A 24 4.340 16.659 3.659 1.00 0.00 C ATOM 318 OE1 GLU A 24 4.155 17.857 3.362 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.724 16.077 4.576 1.00 0.00 O ATOM 0 H GLU A 24 6.378 14.656 1.293 1.00 0.00 H new ATOM 0 HA GLU A 24 8.645 16.196 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.944 16.945 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.691 17.389 2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.009 15.739 1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.466 14.875 3.301 1.00 0.00 H new ATOM 326 N THR A 25 8.228 13.630 3.776 1.00 0.00 N ATOM 327 CA THR A 25 8.740 12.865 4.906 1.00 0.00 C ATOM 328 C THR A 25 9.609 11.704 4.436 1.00 0.00 C ATOM 329 O THR A 25 10.401 11.160 5.203 1.00 0.00 O ATOM 330 CB THR A 25 7.595 12.315 5.777 1.00 0.00 C ATOM 331 OG1 THR A 25 7.115 11.080 5.233 1.00 0.00 O ATOM 332 CG2 THR A 25 6.451 13.315 5.863 1.00 0.00 C ATOM 0 H THR A 25 7.687 13.082 3.107 1.00 0.00 H new ATOM 0 HA THR A 25 9.344 13.549 5.502 1.00 0.00 H new ATOM 0 HB THR A 25 7.983 12.143 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.388 10.736 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.654 12.904 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.812 14.244 6.304 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.066 13.514 4.863 1.00 0.00 H new ATOM 340 N ASN A 26 9.455 11.330 3.170 1.00 0.00 N ATOM 341 CA ASN A 26 10.226 10.233 2.597 1.00 0.00 C ATOM 342 C ASN A 26 11.715 10.409 2.881 1.00 0.00 C ATOM 343 O ASN A 26 12.252 11.511 2.771 1.00 0.00 O ATOM 344 CB ASN A 26 9.990 10.148 1.088 1.00 0.00 C ATOM 345 CG ASN A 26 10.733 8.991 0.450 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.536 8.321 1.100 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.469 8.751 -0.829 1.00 0.00 N ATOM 0 H ASN A 26 8.803 11.771 2.521 1.00 0.00 H new ATOM 0 HA ASN A 26 9.892 9.306 3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.922 10.041 0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.306 11.081 0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.939 7.985 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.796 9.332 -1.329 1.00 0.00 H new ATOM 354 N SER A 27 12.375 9.314 3.245 1.00 0.00 N ATOM 355 CA SER A 27 13.802 9.348 3.548 1.00 0.00 C ATOM 356 C SER A 27 14.488 8.073 3.067 1.00 0.00 C ATOM 357 O SER A 27 13.866 7.221 2.432 1.00 0.00 O ATOM 358 CB SER A 27 14.021 9.524 5.051 1.00 0.00 C ATOM 359 OG SER A 27 13.861 10.878 5.435 1.00 0.00 O ATOM 0 H SER A 27 11.946 8.393 3.337 1.00 0.00 H new ATOM 0 HA SER A 27 14.241 10.196 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.315 8.901 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.021 9.183 5.318 1.00 0.00 H new ATOM 0 HG SER A 27 13.445 11.379 4.703 1.00 0.00 H new ATOM 365 N ASP A 28 15.774 7.949 3.375 1.00 0.00 N ATOM 366 CA ASP A 28 16.548 6.779 2.977 1.00 0.00 C ATOM 367 C ASP A 28 16.250 5.594 3.891 1.00 0.00 C ATOM 368 O ASP A 28 16.729 4.484 3.660 1.00 0.00 O ATOM 369 CB ASP A 28 18.043 7.095 3.004 1.00 0.00 C ATOM 370 CG ASP A 28 18.902 5.846 2.947 1.00 0.00 C ATOM 371 OD1 ASP A 28 19.111 5.321 1.834 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.361 5.395 4.016 1.00 0.00 O ATOM 0 H ASP A 28 16.303 8.645 3.900 1.00 0.00 H new ATOM 0 HA ASP A 28 16.260 6.513 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.290 7.741 2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.277 7.652 3.911 1.00 0.00 H new ATOM 377 N ASP A 29 15.457 5.839 4.928 1.00 0.00 N ATOM 378 CA ASP A 29 15.094 4.792 5.877 1.00 0.00 C ATOM 379 C ASP A 29 13.594 4.805 6.154 1.00 0.00 C ATOM 380 O ASP A 29 13.156 4.535 7.272 1.00 0.00 O ATOM 381 CB ASP A 29 15.868 4.969 7.184 1.00 0.00 C ATOM 382 CG ASP A 29 15.524 6.266 7.889 1.00 0.00 C ATOM 383 OD1 ASP A 29 16.167 7.294 7.588 1.00 0.00 O ATOM 384 OD2 ASP A 29 14.612 6.254 8.742 1.00 0.00 O ATOM 0 H ASP A 29 15.053 6.753 5.133 1.00 0.00 H new ATOM 0 HA ASP A 29 15.355 3.830 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.653 4.131 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.938 4.945 6.976 1.00 0.00 H new ATOM 389 N ALA A 30 12.810 5.123 5.128 1.00 0.00 N ATOM 390 CA ALA A 30 11.359 5.171 5.261 1.00 0.00 C ATOM 391 C ALA A 30 10.689 4.181 4.314 1.00 0.00 C ATOM 392 O ALA A 30 9.503 3.878 4.454 1.00 0.00 O ATOM 393 CB ALA A 30 10.852 6.581 5.000 1.00 0.00 C ATOM 0 H ALA A 30 13.156 5.351 4.196 1.00 0.00 H new ATOM 0 HA ALA A 30 11.102 4.888 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.767 6.602 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.298 7.267 5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.127 6.885 3.990 1.00 0.00 H new ATOM 399 N CYS A 31 11.453 3.682 3.349 1.00 0.00 N ATOM 400 CA CYS A 31 10.934 2.727 2.377 1.00 0.00 C ATOM 401 C CYS A 31 11.656 1.388 2.491 1.00 0.00 C ATOM 402 O CYS A 31 12.885 1.333 2.524 1.00 0.00 O ATOM 403 CB CYS A 31 11.081 3.281 0.959 1.00 0.00 C ATOM 404 SG CYS A 31 10.646 2.092 -0.352 1.00 0.00 S ATOM 0 H CYS A 31 12.435 3.923 3.219 1.00 0.00 H new ATOM 0 HA CYS A 31 9.877 2.568 2.589 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.450 4.164 0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.111 3.607 0.812 1.00 0.00 H new ATOM 0 HG CYS A 31 9.532 1.496 -0.045 1.00 0.00 H new ATOM 409 N THR A 32 10.882 0.308 2.549 1.00 0.00 N ATOM 410 CA THR A 32 11.446 -1.031 2.659 1.00 0.00 C ATOM 411 C THR A 32 11.078 -1.884 1.451 1.00 0.00 C ATOM 412 O THR A 32 9.972 -2.418 1.369 1.00 0.00 O ATOM 413 CB THR A 32 10.965 -1.740 3.939 1.00 0.00 C ATOM 414 OG1 THR A 32 10.767 -0.782 4.985 1.00 0.00 O ATOM 415 CG2 THR A 32 11.972 -2.788 4.389 1.00 0.00 C ATOM 0 H THR A 32 9.863 0.335 2.522 1.00 0.00 H new ATOM 0 HA THR A 32 12.529 -0.915 2.702 1.00 0.00 H new ATOM 0 HB THR A 32 10.021 -2.238 3.719 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.460 -1.241 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.610 -3.275 5.295 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.099 -3.532 3.603 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.930 -2.309 4.593 1.00 0.00 H new ATOM 423 N TYR A 33 12.012 -2.010 0.515 1.00 0.00 N ATOM 424 CA TYR A 33 11.785 -2.797 -0.691 1.00 0.00 C ATOM 425 C TYR A 33 12.899 -3.821 -0.892 1.00 0.00 C ATOM 426 O TYR A 33 13.789 -3.958 -0.053 1.00 0.00 O ATOM 427 CB TYR A 33 11.692 -1.882 -1.913 1.00 0.00 C ATOM 428 CG TYR A 33 12.969 -1.123 -2.200 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.311 0.002 -1.459 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.830 -1.529 -3.211 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.476 0.699 -1.717 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.997 -0.840 -3.475 1.00 0.00 C ATOM 433 CZ TYR A 33 15.316 0.274 -2.726 1.00 0.00 C ATOM 434 OH TYR A 33 16.476 0.965 -2.987 1.00 0.00 O ATOM 0 H TYR A 33 12.934 -1.577 0.568 1.00 0.00 H new ATOM 0 HA TYR A 33 10.842 -3.331 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.431 -2.481 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.882 -1.169 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.656 0.337 -0.669 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.582 -2.399 -3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.728 1.571 -1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.657 -1.171 -4.263 1.00 0.00 H new ATOM 0 HH TYR A 33 16.954 0.535 -3.726 1.00 0.00 H new ATOM 444 N HIS A 34 12.840 -4.537 -2.010 1.00 0.00 N ATOM 445 CA HIS A 34 13.844 -5.548 -2.323 1.00 0.00 C ATOM 446 C HIS A 34 14.597 -5.189 -3.600 1.00 0.00 C ATOM 447 O HIS A 34 14.070 -5.288 -4.709 1.00 0.00 O ATOM 448 CB HIS A 34 13.186 -6.920 -2.473 1.00 0.00 C ATOM 449 CG HIS A 34 12.546 -7.419 -1.215 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.267 -7.900 -0.143 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.243 -7.507 -0.859 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.436 -8.265 0.817 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.201 -8.036 0.407 1.00 0.00 N ATOM 0 H HIS A 34 12.109 -4.436 -2.714 1.00 0.00 H new ATOM 0 HA HIS A 34 14.558 -5.583 -1.500 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.432 -6.868 -3.258 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.937 -7.640 -2.799 1.00 0.00 H new ATOM 0 HD1 HIS A 34 14.284 -7.964 -0.098 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.394 -7.215 -1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.718 -8.680 1.774 1.00 0.00 H new ATOM 461 N PRO A 35 15.858 -4.760 -3.444 1.00 0.00 N ATOM 462 CA PRO A 35 16.710 -4.377 -4.574 1.00 0.00 C ATOM 463 C PRO A 35 17.119 -5.575 -5.424 1.00 0.00 C ATOM 464 O PRO A 35 17.878 -5.439 -6.382 1.00 0.00 O ATOM 465 CB PRO A 35 17.937 -3.756 -3.899 1.00 0.00 C ATOM 466 CG PRO A 35 17.981 -4.381 -2.548 1.00 0.00 C ATOM 467 CD PRO A 35 16.549 -4.616 -2.152 1.00 0.00 C ATOM 0 HA PRO A 35 16.197 -3.703 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.847 -3.965 -4.462 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.846 -2.672 -3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.538 -5.317 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.481 -3.729 -1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.443 -5.510 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.150 -3.783 -1.573 1.00 0.00 H new ATOM 475 N GLY A 36 16.611 -6.750 -5.066 1.00 0.00 N ATOM 476 CA GLY A 36 16.934 -7.956 -5.806 1.00 0.00 C ATOM 477 C GLY A 36 15.819 -8.378 -6.742 1.00 0.00 C ATOM 478 O GLY A 36 15.092 -7.538 -7.274 1.00 0.00 O ATOM 0 H GLY A 36 15.981 -6.888 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.845 -7.792 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.141 -8.764 -5.105 1.00 0.00 H new ATOM 482 N VAL A 37 15.684 -9.685 -6.947 1.00 0.00 N ATOM 483 CA VAL A 37 14.649 -10.217 -7.826 1.00 0.00 C ATOM 484 C VAL A 37 13.984 -11.444 -7.212 1.00 0.00 C ATOM 485 O VAL A 37 14.561 -12.139 -6.375 1.00 0.00 O ATOM 486 CB VAL A 37 15.224 -10.595 -9.204 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.094 -9.430 -10.174 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.675 -11.031 -9.075 1.00 0.00 C ATOM 0 H VAL A 37 16.278 -10.394 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 37 13.906 -9.430 -7.953 1.00 0.00 H new ATOM 0 HB VAL A 37 14.651 -11.433 -9.600 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.505 -9.715 -11.142 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.042 -9.168 -10.289 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.641 -8.571 -9.786 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.065 -11.294 -10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.265 -10.215 -8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.737 -11.897 -8.416 1.00 0.00 H new ATOM 498 N PRO A 38 12.743 -11.719 -7.637 1.00 0.00 N ATOM 499 CA PRO A 38 11.972 -12.864 -7.143 1.00 0.00 C ATOM 500 C PRO A 38 12.538 -14.195 -7.626 1.00 0.00 C ATOM 501 O PRO A 38 12.368 -14.569 -8.787 1.00 0.00 O ATOM 502 CB PRO A 38 10.576 -12.632 -7.728 1.00 0.00 C ATOM 503 CG PRO A 38 10.809 -11.805 -8.945 1.00 0.00 C ATOM 504 CD PRO A 38 11.995 -10.934 -8.633 1.00 0.00 C ATOM 0 HA PRO A 38 11.987 -12.927 -6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.089 -13.575 -7.977 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.929 -12.117 -7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.005 -12.435 -9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.933 -11.201 -9.180 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.594 -10.738 -9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.689 -9.967 -8.235 1.00 0.00 H new ATOM 512 N VAL A 39 13.209 -14.909 -6.728 1.00 0.00 N ATOM 513 CA VAL A 39 13.799 -16.200 -7.062 1.00 0.00 C ATOM 514 C VAL A 39 12.941 -17.347 -6.541 1.00 0.00 C ATOM 515 O VAL A 39 12.327 -17.245 -5.478 1.00 0.00 O ATOM 516 CB VAL A 39 15.220 -16.334 -6.486 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.297 -15.707 -5.102 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.641 -17.795 -6.442 1.00 0.00 C ATOM 0 H VAL A 39 13.358 -14.615 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 39 13.850 -16.253 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 39 15.910 -15.800 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.309 -15.811 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.040 -14.650 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.597 -16.210 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.648 -17.871 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.949 -18.354 -5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.628 -18.208 -7.451 1.00 0.00 H new ATOM 528 N PHE A 40 12.901 -18.440 -7.296 1.00 0.00 N ATOM 529 CA PHE A 40 12.118 -19.608 -6.911 1.00 0.00 C ATOM 530 C PHE A 40 12.900 -20.894 -7.159 1.00 0.00 C ATOM 531 O PHE A 40 12.896 -21.433 -8.266 1.00 0.00 O ATOM 532 CB PHE A 40 10.799 -19.642 -7.687 1.00 0.00 C ATOM 533 CG PHE A 40 10.312 -18.283 -8.101 1.00 0.00 C ATOM 534 CD1 PHE A 40 10.031 -17.314 -7.151 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.133 -17.975 -9.440 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.583 -16.062 -7.529 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.686 -16.725 -9.824 1.00 0.00 C ATOM 538 CZ PHE A 40 9.410 -15.768 -8.867 1.00 0.00 C ATOM 0 H PHE A 40 13.402 -18.541 -8.179 1.00 0.00 H new ATOM 0 HA PHE A 40 11.903 -19.535 -5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.925 -20.260 -8.576 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.037 -20.120 -7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.164 -17.540 -6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.345 -18.720 -10.192 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.369 -15.315 -6.779 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.553 -16.497 -10.871 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.059 -14.791 -9.165 1.00 0.00 H new ATOM 548 N HIS A 41 13.573 -21.380 -6.120 1.00 0.00 N ATOM 549 CA HIS A 41 14.361 -22.603 -6.225 1.00 0.00 C ATOM 550 C HIS A 41 13.905 -23.632 -5.194 1.00 0.00 C ATOM 551 O HIS A 41 13.702 -23.306 -4.025 1.00 0.00 O ATOM 552 CB HIS A 41 15.847 -22.296 -6.033 1.00 0.00 C ATOM 553 CG HIS A 41 16.150 -21.585 -4.751 1.00 0.00 C ATOM 554 ND1 HIS A 41 15.884 -22.124 -3.510 1.00 0.00 N ATOM 555 CD2 HIS A 41 16.705 -20.371 -4.521 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.257 -21.272 -2.572 1.00 0.00 C ATOM 557 NE2 HIS A 41 16.759 -20.200 -3.159 1.00 0.00 N ATOM 0 H HIS A 41 13.588 -20.946 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 41 14.210 -23.019 -7.221 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.409 -23.229 -6.063 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.195 -21.687 -6.868 1.00 0.00 H new ATOM 0 HD1 HIS A 41 15.464 -23.038 -3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 41 17.042 -19.669 -5.269 1.00 0.00 H new ATOM 0 HE1 HIS A 41 16.167 -21.425 -1.507 1.00 0.00 H new ATOM 565 N ASP A 42 13.747 -24.875 -5.637 1.00 0.00 N ATOM 566 CA ASP A 42 13.316 -25.952 -4.753 1.00 0.00 C ATOM 567 C ASP A 42 12.036 -25.570 -4.015 1.00 0.00 C ATOM 568 O ASP A 42 11.911 -25.794 -2.811 1.00 0.00 O ATOM 569 CB ASP A 42 14.418 -26.288 -3.748 1.00 0.00 C ATOM 570 CG ASP A 42 15.781 -26.401 -4.400 1.00 0.00 C ATOM 571 OD1 ASP A 42 16.149 -25.488 -5.169 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.483 -27.402 -4.143 1.00 0.00 O ATOM 0 H ASP A 42 13.911 -25.161 -6.602 1.00 0.00 H new ATOM 0 HA ASP A 42 13.113 -26.831 -5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.450 -25.518 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.178 -27.227 -3.250 1.00 0.00 H new ATOM 577 N ALA A 43 11.089 -24.991 -4.745 1.00 0.00 N ATOM 578 CA ALA A 43 9.819 -24.579 -4.160 1.00 0.00 C ATOM 579 C ALA A 43 10.015 -23.440 -3.166 1.00 0.00 C ATOM 580 O ALA A 43 9.064 -22.988 -2.527 1.00 0.00 O ATOM 581 CB ALA A 43 9.141 -25.761 -3.483 1.00 0.00 C ATOM 0 H ALA A 43 11.177 -24.797 -5.742 1.00 0.00 H new ATOM 0 HA ALA A 43 9.178 -24.218 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.194 -25.438 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.956 -26.544 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.787 -26.148 -2.695 1.00 0.00 H new ATOM 587 N LEU A 44 11.255 -22.980 -3.039 1.00 0.00 N ATOM 588 CA LEU A 44 11.578 -21.893 -2.121 1.00 0.00 C ATOM 589 C LEU A 44 11.606 -20.554 -2.852 1.00 0.00 C ATOM 590 O LEU A 44 12.601 -20.200 -3.484 1.00 0.00 O ATOM 591 CB LEU A 44 12.929 -22.149 -1.451 1.00 0.00 C ATOM 592 CG LEU A 44 13.268 -23.612 -1.163 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.684 -23.735 -0.620 1.00 0.00 C ATOM 594 CD2 LEU A 44 12.267 -24.210 -0.185 1.00 0.00 C ATOM 0 H LEU A 44 12.053 -23.343 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 44 10.802 -21.853 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.712 -21.734 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.956 -21.599 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 44 13.209 -24.169 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.908 -24.783 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.390 -23.346 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.770 -23.164 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.524 -25.251 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.293 -23.651 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.265 -24.157 -0.612 1.00 0.00 H new ATOM 606 N LYS A 45 10.508 -19.812 -2.759 1.00 0.00 N ATOM 607 CA LYS A 45 10.406 -18.510 -3.407 1.00 0.00 C ATOM 608 C LYS A 45 10.813 -17.393 -2.451 1.00 0.00 C ATOM 609 O LYS A 45 10.309 -17.306 -1.333 1.00 0.00 O ATOM 610 CB LYS A 45 8.978 -18.275 -3.904 1.00 0.00 C ATOM 611 CG LYS A 45 8.420 -19.429 -4.719 1.00 0.00 C ATOM 612 CD LYS A 45 6.901 -19.449 -4.690 1.00 0.00 C ATOM 613 CE LYS A 45 6.377 -20.221 -3.489 1.00 0.00 C ATOM 614 NZ LYS A 45 7.068 -21.530 -3.327 1.00 0.00 N ATOM 0 H LYS A 45 9.675 -20.091 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 45 11.086 -18.502 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.328 -18.099 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.958 -17.370 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.764 -19.347 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.805 -20.371 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.523 -18.427 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.524 -19.901 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.512 -19.625 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.306 -20.387 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.470 -22.172 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.244 -21.948 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.973 -21.386 -2.836 1.00 0.00 H new ATOM 628 N GLY A 46 11.729 -16.540 -2.901 1.00 0.00 N ATOM 629 CA GLY A 46 12.186 -15.439 -2.073 1.00 0.00 C ATOM 630 C GLY A 46 12.788 -14.311 -2.888 1.00 0.00 C ATOM 631 O GLY A 46 12.130 -13.755 -3.768 1.00 0.00 O ATOM 0 H GLY A 46 12.162 -16.592 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.349 -15.055 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.927 -15.806 -1.363 1.00 0.00 H new ATOM 635 N TRP A 47 14.038 -13.973 -2.596 1.00 0.00 N ATOM 636 CA TRP A 47 14.726 -12.902 -3.308 1.00 0.00 C ATOM 637 C TRP A 47 16.238 -13.054 -3.190 1.00 0.00 C ATOM 638 O TRP A 47 16.747 -13.521 -2.170 1.00 0.00 O ATOM 639 CB TRP A 47 14.293 -11.540 -2.763 1.00 0.00 C ATOM 640 CG TRP A 47 12.816 -11.307 -2.851 1.00 0.00 C ATOM 641 CD1 TRP A 47 11.862 -11.755 -1.982 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.122 -10.571 -3.865 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.618 -11.342 -2.394 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.751 -10.614 -3.547 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.528 -9.879 -5.010 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.785 -9.992 -4.333 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.567 -9.263 -5.789 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.209 -9.321 -5.448 1.00 0.00 C ATOM 0 H TRP A 47 14.596 -14.425 -1.871 1.00 0.00 H new ATOM 0 HA TRP A 47 14.455 -12.967 -4.362 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.605 -11.458 -1.722 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.811 -10.755 -3.314 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.057 -12.347 -1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.738 -11.544 -1.919 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.572 -9.827 -5.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.738 -10.037 -4.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.868 -8.727 -6.677 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.483 -8.827 -6.077 1.00 0.00 H new ATOM 659 N SER A 48 16.952 -12.656 -4.238 1.00 0.00 N ATOM 660 CA SER A 48 18.407 -12.752 -4.252 1.00 0.00 C ATOM 661 C SER A 48 19.035 -11.603 -3.469 1.00 0.00 C ATOM 662 O SER A 48 20.247 -11.386 -3.525 1.00 0.00 O ATOM 663 CB SER A 48 18.927 -12.747 -5.691 1.00 0.00 C ATOM 664 OG SER A 48 20.332 -12.929 -5.727 1.00 0.00 O ATOM 0 H SER A 48 16.547 -12.264 -5.088 1.00 0.00 H new ATOM 0 HA SER A 48 18.688 -13.691 -3.775 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.440 -13.539 -6.260 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.667 -11.804 -6.172 1.00 0.00 H new ATOM 0 HG SER A 48 20.742 -12.464 -4.968 1.00 0.00 H new ATOM 670 N CYS A 49 18.202 -10.868 -2.739 1.00 0.00 N ATOM 671 CA CYS A 49 18.674 -9.740 -1.945 1.00 0.00 C ATOM 672 C CYS A 49 18.833 -10.136 -0.480 1.00 0.00 C ATOM 673 O CYS A 49 19.778 -9.715 0.189 1.00 0.00 O ATOM 674 CB CYS A 49 17.701 -8.565 -2.063 1.00 0.00 C ATOM 675 SG CYS A 49 15.957 -9.013 -1.793 1.00 0.00 S ATOM 0 H CYS A 49 17.197 -11.034 -2.681 1.00 0.00 H new ATOM 0 HA CYS A 49 19.648 -9.438 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.984 -7.799 -1.341 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.802 -8.122 -3.054 1.00 0.00 H new ATOM 0 HG CYS A 49 15.856 -9.733 -0.716 1.00 0.00 H new ATOM 680 N CYS A 50 17.904 -10.948 0.013 1.00 0.00 N ATOM 681 CA CYS A 50 17.941 -11.402 1.398 1.00 0.00 C ATOM 682 C CYS A 50 17.806 -12.919 1.477 1.00 0.00 C ATOM 683 O CYS A 50 17.541 -13.584 0.475 1.00 0.00 O ATOM 684 CB CYS A 50 16.824 -10.736 2.204 1.00 0.00 C ATOM 685 SG CYS A 50 15.214 -10.696 1.352 1.00 0.00 S ATOM 0 H CYS A 50 17.116 -11.305 -0.527 1.00 0.00 H new ATOM 0 HA CYS A 50 18.904 -11.119 1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.709 -11.264 3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.122 -9.715 2.443 1.00 0.00 H new ATOM 0 HG CYS A 50 14.334 -10.116 2.113 1.00 0.00 H new ATOM 690 N LYS A 51 17.990 -13.463 2.676 1.00 0.00 N ATOM 691 CA LYS A 51 17.888 -14.901 2.888 1.00 0.00 C ATOM 692 C LYS A 51 16.428 -15.335 2.979 1.00 0.00 C ATOM 693 O LYS A 51 16.132 -16.498 3.258 1.00 0.00 O ATOM 694 CB LYS A 51 18.632 -15.303 4.164 1.00 0.00 C ATOM 695 CG LYS A 51 19.976 -14.615 4.328 1.00 0.00 C ATOM 696 CD LYS A 51 20.834 -15.311 5.370 1.00 0.00 C ATOM 697 CE LYS A 51 20.173 -15.294 6.739 1.00 0.00 C ATOM 698 NZ LYS A 51 20.819 -16.252 7.679 1.00 0.00 N ATOM 0 H LYS A 51 18.211 -12.928 3.516 1.00 0.00 H new ATOM 0 HA LYS A 51 18.345 -15.403 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.007 -15.071 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 51 18.784 -16.382 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.500 -14.605 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.821 -13.576 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.014 -16.342 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.806 -14.821 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.224 -14.288 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.117 -15.543 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.340 -16.210 8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.748 -17.216 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.821 -15.999 7.798 1.00 0.00 H new ATOM 712 N ARG A 52 15.521 -14.394 2.742 1.00 0.00 N ATOM 713 CA ARG A 52 14.091 -14.680 2.797 1.00 0.00 C ATOM 714 C ARG A 52 13.710 -15.746 1.774 1.00 0.00 C ATOM 715 O ARG A 52 13.875 -15.551 0.569 1.00 0.00 O ATOM 716 CB ARG A 52 13.285 -13.405 2.546 1.00 0.00 C ATOM 717 CG ARG A 52 12.062 -13.272 3.439 1.00 0.00 C ATOM 718 CD ARG A 52 11.222 -14.540 3.428 1.00 0.00 C ATOM 719 NE ARG A 52 10.059 -14.434 4.302 1.00 0.00 N ATOM 720 CZ ARG A 52 8.938 -15.126 4.123 1.00 0.00 C ATOM 721 NH1 ARG A 52 8.833 -15.971 3.106 1.00 0.00 N ATOM 722 NH2 ARG A 52 7.922 -14.974 4.961 1.00 0.00 N ATOM 0 H ARG A 52 15.750 -13.427 2.510 1.00 0.00 H new ATOM 0 HA ARG A 52 13.859 -15.058 3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.931 -12.541 2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.967 -13.385 1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.377 -13.052 4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.456 -12.430 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.892 -14.747 2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.836 -15.384 3.743 1.00 0.00 H new ATOM 0 HE ARG A 52 10.109 -13.794 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.613 -16.091 2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.972 -16.501 2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.000 -14.325 5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.063 -15.506 4.822 1.00 0.00 H new ATOM 736 N ARG A 53 13.201 -16.873 2.262 1.00 0.00 N ATOM 737 CA ARG A 53 12.799 -17.970 1.390 1.00 0.00 C ATOM 738 C ARG A 53 11.719 -18.821 2.052 1.00 0.00 C ATOM 739 O ARG A 53 11.903 -19.329 3.158 1.00 0.00 O ATOM 740 CB ARG A 53 14.007 -18.841 1.040 1.00 0.00 C ATOM 741 CG ARG A 53 14.007 -19.332 -0.398 1.00 0.00 C ATOM 742 CD ARG A 53 14.448 -18.241 -1.360 1.00 0.00 C ATOM 743 NE ARG A 53 15.420 -17.335 -0.752 1.00 0.00 N ATOM 744 CZ ARG A 53 16.649 -17.701 -0.406 1.00 0.00 C ATOM 745 NH1 ARG A 53 17.053 -18.948 -0.606 1.00 0.00 N ATOM 746 NH2 ARG A 53 17.474 -16.820 0.143 1.00 0.00 N ATOM 0 H ARG A 53 13.057 -17.050 3.256 1.00 0.00 H new ATOM 0 HA ARG A 53 12.391 -17.543 0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.919 -18.272 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.030 -19.701 1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.672 -20.190 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.007 -19.673 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.884 -18.696 -2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.577 -17.672 -1.687 1.00 0.00 H new ATOM 0 HE ARG A 53 15.139 -16.369 -0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.420 -19.628 -1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.997 -19.227 -0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.165 -15.861 0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.418 -17.102 0.409 1.00 0.00 H new ATOM 760 N THR A 54 10.590 -18.972 1.366 1.00 0.00 N ATOM 761 CA THR A 54 9.479 -19.760 1.887 1.00 0.00 C ATOM 762 C THR A 54 9.007 -20.786 0.864 1.00 0.00 C ATOM 763 O THR A 54 9.290 -20.667 -0.328 1.00 0.00 O ATOM 764 CB THR A 54 8.292 -18.863 2.285 1.00 0.00 C ATOM 765 OG1 THR A 54 7.155 -19.671 2.608 1.00 0.00 O ATOM 766 CG2 THR A 54 7.936 -17.905 1.158 1.00 0.00 C ATOM 0 H THR A 54 10.421 -18.559 0.449 1.00 0.00 H new ATOM 0 HA THR A 54 9.846 -20.277 2.774 1.00 0.00 H new ATOM 0 HB THR A 54 8.583 -18.279 3.158 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.528 -19.151 3.152 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.095 -17.282 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.794 -17.272 0.934 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.663 -18.474 0.269 1.00 0.00 H new ATOM 774 N THR A 55 8.281 -21.796 1.337 1.00 0.00 N ATOM 775 CA THR A 55 7.768 -22.843 0.463 1.00 0.00 C ATOM 776 C THR A 55 6.321 -22.570 0.068 1.00 0.00 C ATOM 777 O THR A 55 5.679 -23.395 -0.583 1.00 0.00 O ATOM 778 CB THR A 55 7.852 -24.227 1.135 1.00 0.00 C ATOM 779 OG1 THR A 55 7.415 -24.137 2.496 1.00 0.00 O ATOM 780 CG2 THR A 55 9.274 -24.766 1.088 1.00 0.00 C ATOM 0 H THR A 55 8.036 -21.910 2.321 1.00 0.00 H new ATOM 0 HA THR A 55 8.392 -22.842 -0.431 1.00 0.00 H new ATOM 0 HB THR A 55 7.203 -24.912 0.590 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.469 -25.021 2.916 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.309 -25.744 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.593 -24.860 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.940 -24.081 1.612 1.00 0.00 H new ATOM 788 N ASP A 56 5.814 -21.408 0.464 1.00 0.00 N ATOM 789 CA ASP A 56 4.443 -21.026 0.149 1.00 0.00 C ATOM 790 C ASP A 56 4.417 -19.856 -0.830 1.00 0.00 C ATOM 791 O ASP A 56 5.196 -18.912 -0.707 1.00 0.00 O ATOM 792 CB ASP A 56 3.688 -20.655 1.426 1.00 0.00 C ATOM 793 CG ASP A 56 3.023 -21.853 2.075 1.00 0.00 C ATOM 794 OD1 ASP A 56 3.726 -22.620 2.767 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.800 -22.025 1.891 1.00 0.00 O ATOM 0 H ASP A 56 6.332 -20.714 1.004 1.00 0.00 H new ATOM 0 HA ASP A 56 3.952 -21.879 -0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.380 -20.200 2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.932 -19.906 1.193 1.00 0.00 H new ATOM 800 N PHE A 57 3.514 -19.927 -1.804 1.00 0.00 N ATOM 801 CA PHE A 57 3.387 -18.875 -2.806 1.00 0.00 C ATOM 802 C PHE A 57 2.783 -17.614 -2.196 1.00 0.00 C ATOM 803 O PHE A 57 3.304 -16.513 -2.376 1.00 0.00 O ATOM 804 CB PHE A 57 2.523 -19.355 -3.974 1.00 0.00 C ATOM 805 CG PHE A 57 2.280 -18.299 -5.013 1.00 0.00 C ATOM 806 CD1 PHE A 57 3.339 -17.703 -5.677 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.989 -17.902 -5.327 1.00 0.00 C ATOM 808 CE1 PHE A 57 3.117 -16.730 -6.633 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.762 -16.930 -6.283 1.00 0.00 C ATOM 810 CZ PHE A 57 1.826 -16.344 -6.937 1.00 0.00 C ATOM 0 H PHE A 57 2.860 -20.701 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 57 4.384 -18.637 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.005 -20.212 -4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.564 -19.701 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.350 -18.002 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.152 -18.357 -4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.952 -16.272 -7.142 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.248 -16.629 -6.518 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.650 -15.585 -7.685 1.00 0.00 H new ATOM 820 N SER A 58 1.679 -17.783 -1.476 1.00 0.00 N ATOM 821 CA SER A 58 0.998 -16.658 -0.843 1.00 0.00 C ATOM 822 C SER A 58 1.920 -15.955 0.149 1.00 0.00 C ATOM 823 O SER A 58 1.818 -14.746 0.360 1.00 0.00 O ATOM 824 CB SER A 58 -0.268 -17.136 -0.130 1.00 0.00 C ATOM 825 OG SER A 58 -1.224 -16.094 -0.038 1.00 0.00 O ATOM 0 H SER A 58 1.236 -18.688 -1.316 1.00 0.00 H new ATOM 0 HA SER A 58 0.721 -15.948 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.696 -17.981 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.015 -17.491 0.869 1.00 0.00 H new ATOM 0 HG SER A 58 -2.025 -16.424 0.420 1.00 0.00 H new ATOM 831 N ASP A 59 2.820 -16.721 0.755 1.00 0.00 N ATOM 832 CA ASP A 59 3.761 -16.173 1.725 1.00 0.00 C ATOM 833 C ASP A 59 4.872 -15.395 1.025 1.00 0.00 C ATOM 834 O ASP A 59 5.377 -14.403 1.551 1.00 0.00 O ATOM 835 CB ASP A 59 4.365 -17.294 2.573 1.00 0.00 C ATOM 836 CG ASP A 59 4.705 -16.839 3.978 1.00 0.00 C ATOM 837 OD1 ASP A 59 5.250 -15.725 4.126 1.00 0.00 O ATOM 838 OD2 ASP A 59 4.422 -17.595 4.931 1.00 0.00 O ATOM 0 H ASP A 59 2.918 -17.723 0.592 1.00 0.00 H new ATOM 0 HA ASP A 59 3.216 -15.489 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.662 -18.126 2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.266 -17.667 2.087 1.00 0.00 H new ATOM 843 N PHE A 60 5.248 -15.853 -0.165 1.00 0.00 N ATOM 844 CA PHE A 60 6.300 -15.201 -0.936 1.00 0.00 C ATOM 845 C PHE A 60 6.014 -13.711 -1.098 1.00 0.00 C ATOM 846 O PHE A 60 6.919 -12.880 -1.021 1.00 0.00 O ATOM 847 CB PHE A 60 6.436 -15.858 -2.311 1.00 0.00 C ATOM 848 CG PHE A 60 6.936 -14.925 -3.376 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.290 -14.658 -3.500 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.054 -14.314 -4.252 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.755 -13.799 -4.478 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.514 -13.455 -5.232 1.00 0.00 C ATOM 853 CZ PHE A 60 7.865 -13.196 -5.345 1.00 0.00 C ATOM 0 H PHE A 60 4.840 -16.672 -0.616 1.00 0.00 H new ATOM 0 HA PHE A 60 7.237 -15.315 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.117 -16.706 -2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.466 -16.254 -2.613 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.990 -15.127 -2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.995 -14.511 -4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.813 -13.600 -4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.816 -12.986 -5.910 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.225 -12.524 -6.109 1.00 0.00 H new ATOM 863 N LEU A 61 4.747 -13.381 -1.324 1.00 0.00 N ATOM 864 CA LEU A 61 4.339 -11.991 -1.498 1.00 0.00 C ATOM 865 C LEU A 61 4.347 -11.250 -0.165 1.00 0.00 C ATOM 866 O LEU A 61 4.457 -10.024 -0.126 1.00 0.00 O ATOM 867 CB LEU A 61 2.943 -11.923 -2.122 1.00 0.00 C ATOM 868 CG LEU A 61 2.740 -12.736 -3.401 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.258 -12.938 -3.675 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.413 -12.052 -4.581 1.00 0.00 C ATOM 0 H LEU A 61 3.985 -14.056 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 61 5.054 -11.510 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.219 -12.262 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.714 -10.880 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 61 3.200 -13.714 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.133 -13.519 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.803 -13.472 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.774 -11.968 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.258 -12.645 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.983 -11.060 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.482 -11.960 -4.387 1.00 0.00 H new ATOM 882 N SER A 62 4.235 -12.001 0.925 1.00 0.00 N ATOM 883 CA SER A 62 4.231 -11.416 2.261 1.00 0.00 C ATOM 884 C SER A 62 5.606 -10.860 2.616 1.00 0.00 C ATOM 885 O SER A 62 5.720 -9.898 3.376 1.00 0.00 O ATOM 886 CB SER A 62 3.806 -12.459 3.296 1.00 0.00 C ATOM 887 OG SER A 62 3.177 -11.846 4.409 1.00 0.00 O ATOM 0 H SER A 62 4.146 -13.017 0.910 1.00 0.00 H new ATOM 0 HA SER A 62 3.515 -10.595 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.124 -13.174 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.678 -13.020 3.631 1.00 0.00 H new ATOM 0 HG SER A 62 2.913 -12.534 5.055 1.00 0.00 H new ATOM 893 N ILE A 63 6.646 -11.472 2.060 1.00 0.00 N ATOM 894 CA ILE A 63 8.014 -11.038 2.316 1.00 0.00 C ATOM 895 C ILE A 63 8.120 -9.517 2.300 1.00 0.00 C ATOM 896 O ILE A 63 7.658 -8.862 1.366 1.00 0.00 O ATOM 897 CB ILE A 63 8.992 -11.622 1.281 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.030 -13.148 1.384 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.383 -11.038 1.480 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.948 -13.800 0.375 1.00 0.00 C ATOM 0 H ILE A 63 6.568 -12.270 1.429 1.00 0.00 H new ATOM 0 HA ILE A 63 8.283 -11.407 3.306 1.00 0.00 H new ATOM 0 HB ILE A 63 8.644 -11.354 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.350 -13.428 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.021 -13.538 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.064 -11.460 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.344 -9.955 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.739 -11.280 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.924 -14.882 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.617 -13.550 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.966 -13.439 0.522 1.00 0.00 H new ATOM 912 N VAL A 64 8.734 -8.961 3.339 1.00 0.00 N ATOM 913 CA VAL A 64 8.905 -7.517 3.443 1.00 0.00 C ATOM 914 C VAL A 64 10.299 -7.094 2.992 1.00 0.00 C ATOM 915 O VAL A 64 11.274 -7.818 3.190 1.00 0.00 O ATOM 916 CB VAL A 64 8.674 -7.027 4.885 1.00 0.00 C ATOM 917 CG1 VAL A 64 8.728 -5.508 4.948 1.00 0.00 C ATOM 918 CG2 VAL A 64 7.345 -7.543 5.416 1.00 0.00 C ATOM 0 H VAL A 64 9.121 -9.489 4.121 1.00 0.00 H new ATOM 0 HA VAL A 64 8.161 -7.063 2.789 1.00 0.00 H new ATOM 0 HB VAL A 64 9.470 -7.422 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.563 -5.180 5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.706 -5.164 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.954 -5.089 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.198 -7.187 6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.535 -7.179 4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.349 -8.633 5.409 1.00 0.00 H new ATOM 928 N GLY A 65 10.385 -5.915 2.383 1.00 0.00 N ATOM 929 CA GLY A 65 11.664 -5.416 1.913 1.00 0.00 C ATOM 930 C GLY A 65 12.764 -5.572 2.946 1.00 0.00 C ATOM 931 O GLY A 65 12.552 -5.314 4.131 1.00 0.00 O ATOM 0 H GLY A 65 9.593 -5.297 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.946 -5.947 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.565 -4.363 1.649 1.00 0.00 H new ATOM 935 N CYS A 66 13.939 -5.998 2.496 1.00 0.00 N ATOM 936 CA CYS A 66 15.075 -6.191 3.389 1.00 0.00 C ATOM 937 C CYS A 66 16.007 -4.983 3.354 1.00 0.00 C ATOM 938 O CYS A 66 16.913 -4.858 4.179 1.00 0.00 O ATOM 939 CB CYS A 66 15.847 -7.455 3.001 1.00 0.00 C ATOM 940 SG CYS A 66 16.571 -7.400 1.331 1.00 0.00 S ATOM 0 H CYS A 66 14.130 -6.216 1.518 1.00 0.00 H new ATOM 0 HA CYS A 66 14.692 -6.303 4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.644 -7.618 3.726 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.177 -8.312 3.067 1.00 0.00 H new ATOM 0 HG CYS A 66 16.184 -8.441 0.656 1.00 0.00 H new ATOM 945 N THR A 67 15.776 -4.094 2.393 1.00 0.00 N ATOM 946 CA THR A 67 16.594 -2.896 2.249 1.00 0.00 C ATOM 947 C THR A 67 15.817 -1.648 2.652 1.00 0.00 C ATOM 948 O THR A 67 14.592 -1.679 2.773 1.00 0.00 O ATOM 949 CB THR A 67 17.097 -2.729 0.803 1.00 0.00 C ATOM 950 OG1 THR A 67 17.879 -3.867 0.422 1.00 0.00 O ATOM 951 CG2 THR A 67 17.931 -1.464 0.662 1.00 0.00 C ATOM 0 H THR A 67 15.030 -4.181 1.703 1.00 0.00 H new ATOM 0 HA THR A 67 17.451 -3.017 2.912 1.00 0.00 H new ATOM 0 HB THR A 67 16.230 -2.648 0.147 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.820 -3.605 0.343 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.275 -1.368 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.324 -0.597 0.924 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.792 -1.520 1.328 1.00 0.00 H new ATOM 959 N LYS A 68 16.535 -0.549 2.857 1.00 0.00 N ATOM 960 CA LYS A 68 15.913 0.711 3.245 1.00 0.00 C ATOM 961 C LYS A 68 16.310 1.831 2.287 1.00 0.00 C ATOM 962 O LYS A 68 17.452 1.896 1.833 1.00 0.00 O ATOM 963 CB LYS A 68 16.313 1.083 4.674 1.00 0.00 C ATOM 964 CG LYS A 68 15.470 0.401 5.738 1.00 0.00 C ATOM 965 CD LYS A 68 14.247 1.227 6.095 1.00 0.00 C ATOM 966 CE LYS A 68 13.434 0.570 7.200 1.00 0.00 C ATOM 967 NZ LYS A 68 14.175 0.537 8.490 1.00 0.00 N ATOM 0 H LYS A 68 17.550 -0.506 2.761 1.00 0.00 H new ATOM 0 HA LYS A 68 14.832 0.583 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.360 0.822 4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.232 2.163 4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.156 -0.580 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.073 0.237 6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.559 2.222 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.623 1.356 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.498 1.112 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.175 -0.447 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.525 0.273 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.943 -0.162 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.576 1.477 8.684 1.00 0.00 H new ATOM 981 N GLY A 69 15.361 2.711 1.986 1.00 0.00 N ATOM 982 CA GLY A 69 15.632 3.816 1.086 1.00 0.00 C ATOM 983 C GLY A 69 14.441 4.741 0.928 1.00 0.00 C ATOM 984 O GLY A 69 13.646 4.903 1.853 1.00 0.00 O ATOM 0 H GLY A 69 14.409 2.678 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.483 4.385 1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.916 3.424 0.109 1.00 0.00 H new ATOM 988 N ARG A 70 14.318 5.350 -0.247 1.00 0.00 N ATOM 989 CA ARG A 70 13.217 6.265 -0.522 1.00 0.00 C ATOM 990 C ARG A 70 12.226 5.645 -1.502 1.00 0.00 C ATOM 991 O ARG A 70 12.609 5.167 -2.571 1.00 0.00 O ATOM 992 CB ARG A 70 13.751 7.583 -1.086 1.00 0.00 C ATOM 993 CG ARG A 70 15.016 8.073 -0.398 1.00 0.00 C ATOM 994 CD ARG A 70 15.462 9.420 -0.945 1.00 0.00 C ATOM 995 NE ARG A 70 16.892 9.640 -0.757 1.00 0.00 N ATOM 996 CZ ARG A 70 17.536 10.712 -1.206 1.00 0.00 C ATOM 997 NH1 ARG A 70 16.879 11.656 -1.866 1.00 0.00 N ATOM 998 NH2 ARG A 70 18.840 10.840 -0.996 1.00 0.00 N ATOM 0 H ARG A 70 14.967 5.226 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 70 12.698 6.462 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.951 7.458 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.979 8.347 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.840 8.155 0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.813 7.342 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.223 9.477 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.905 10.215 -0.450 1.00 0.00 H new ATOM 0 HE ARG A 70 17.427 8.932 -0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.877 11.560 -2.030 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.376 12.478 -2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 70 19.349 10.115 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 70 19.334 11.663 -1.341 1.00 0.00 H new ATOM 1012 N HIS A 71 10.951 5.654 -1.130 1.00 0.00 N ATOM 1013 CA HIS A 71 9.903 5.093 -1.976 1.00 0.00 C ATOM 1014 C HIS A 71 10.017 5.621 -3.404 1.00 0.00 C ATOM 1015 O HIS A 71 10.326 6.791 -3.619 1.00 0.00 O ATOM 1016 CB HIS A 71 8.523 5.424 -1.406 1.00 0.00 C ATOM 1017 CG HIS A 71 8.325 4.941 -0.002 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.811 3.697 0.300 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.575 5.541 1.185 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.752 3.554 1.611 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.210 4.658 2.172 1.00 0.00 N ATOM 0 H HIS A 71 10.618 6.044 -0.248 1.00 0.00 H new ATOM 0 HA HIS A 71 10.028 4.010 -1.996 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.376 6.504 -1.434 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.759 4.982 -2.045 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.985 6.530 1.329 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.390 2.682 2.136 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.281 4.828 3.175 1.00 0.00 H new ATOM 1029 N ASN A 72 9.764 4.748 -4.374 1.00 0.00 N ATOM 1030 CA ASN A 72 9.840 5.126 -5.780 1.00 0.00 C ATOM 1031 C ASN A 72 8.450 5.422 -6.339 1.00 0.00 C ATOM 1032 O ASN A 72 7.646 4.513 -6.542 1.00 0.00 O ATOM 1033 CB ASN A 72 10.502 4.014 -6.595 1.00 0.00 C ATOM 1034 CG ASN A 72 11.998 3.936 -6.356 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.552 4.700 -5.566 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.660 3.011 -7.042 1.00 0.00 N ATOM 0 H ASN A 72 9.505 3.775 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 72 10.444 6.030 -5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.045 3.058 -6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.314 4.183 -7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.668 2.913 -6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.160 2.399 -7.686 1.00 0.00 H new ATOM 1043 N SER A 73 8.177 6.699 -6.586 1.00 0.00 N ATOM 1044 CA SER A 73 6.885 7.115 -7.119 1.00 0.00 C ATOM 1045 C SER A 73 6.835 6.927 -8.632 1.00 0.00 C ATOM 1046 O SER A 73 5.899 7.376 -9.293 1.00 0.00 O ATOM 1047 CB SER A 73 6.611 8.578 -6.766 1.00 0.00 C ATOM 1048 OG SER A 73 7.790 9.359 -6.879 1.00 0.00 O ATOM 0 H SER A 73 8.833 7.463 -6.426 1.00 0.00 H new ATOM 0 HA SER A 73 6.115 6.489 -6.667 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.842 8.977 -7.427 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.223 8.644 -5.749 1.00 0.00 H new ATOM 0 HG SER A 73 8.128 9.310 -7.797 1.00 0.00 H new ATOM 1054 N GLU A 74 7.849 6.260 -9.173 1.00 0.00 N ATOM 1055 CA GLU A 74 7.922 6.013 -10.608 1.00 0.00 C ATOM 1056 C GLU A 74 8.017 4.518 -10.899 1.00 0.00 C ATOM 1057 O GLU A 74 8.924 3.837 -10.421 1.00 0.00 O ATOM 1058 CB GLU A 74 9.125 6.739 -11.213 1.00 0.00 C ATOM 1059 CG GLU A 74 9.169 8.222 -10.886 1.00 0.00 C ATOM 1060 CD GLU A 74 9.847 8.507 -9.560 1.00 0.00 C ATOM 1061 OE1 GLU A 74 10.566 7.617 -9.058 1.00 0.00 O ATOM 1062 OE2 GLU A 74 9.662 9.620 -9.025 1.00 0.00 O ATOM 0 H GLU A 74 8.631 5.881 -8.639 1.00 0.00 H new ATOM 0 HA GLU A 74 7.009 6.397 -11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.041 6.269 -10.854 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.107 6.615 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.697 8.750 -11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.153 8.615 -10.862 1.00 0.00 H new ATOM 1069 N LYS A 75 7.073 4.014 -11.686 1.00 0.00 N ATOM 1070 CA LYS A 75 7.049 2.600 -12.043 1.00 0.00 C ATOM 1071 C LYS A 75 8.405 2.150 -12.578 1.00 0.00 C ATOM 1072 O LYS A 75 8.660 0.949 -12.634 1.00 0.00 O ATOM 1073 CB LYS A 75 5.962 2.335 -13.088 1.00 0.00 C ATOM 1074 CG LYS A 75 4.559 2.289 -12.509 1.00 0.00 C ATOM 1075 CD LYS A 75 3.511 2.621 -13.558 1.00 0.00 C ATOM 1076 CE LYS A 75 2.111 2.636 -12.963 1.00 0.00 C ATOM 1077 NZ LYS A 75 1.064 2.462 -14.006 1.00 0.00 N ATOM 0 H LYS A 75 6.314 4.564 -12.089 1.00 0.00 H new ATOM 0 HA LYS A 75 6.826 2.027 -11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.006 3.113 -13.851 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.172 1.388 -13.586 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.365 1.297 -12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.483 2.994 -11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.731 3.594 -13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.557 1.889 -14.364 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.022 1.841 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.949 3.578 -12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.124 2.478 -13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.132 3.235 -14.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.203 1.551 -14.489 1.00 0.00 H new