USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 459 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 52 LYS NZ :NH3+ 179:sc= 1.17 (180deg=1.1) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 1.05 USER MOD Set 2.2: A 19 LYS NZ :NH3+ -168:sc= 0.27 (180deg=0.178) USER MOD Set 2.3: A 23 TYR OH : rot 140:sc= 1.29 USER MOD Set 3.1: A 12 LYS NZ :NH3+ 180:sc= 3.51 (180deg=3.51) USER MOD Set 3.2: A 46 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.977) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0194) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= 1.14 (180deg=1.01) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.189 X(o=0.19,f=-0.091) USER MOD Single : A 33 THR OG1 : rot -168:sc= -0.433 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= 1.09 (180deg=1.01) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 2.07 (180deg=1.9) USER MOD Single : A 59 ASN : amide:sc= 0.991 K(o=0.99,f=-5.8!) USER MOD Single : A 60 GLN : amide:sc= 0.52 K(o=0.52,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 19.229 -49.836 3.223 1.00 0.00 N ATOM 101 CA ILE A 6 18.708 -50.596 2.068 1.00 0.00 C ATOM 102 C ILE A 6 18.704 -52.092 2.435 1.00 0.00 C ATOM 103 O ILE A 6 17.660 -52.733 2.361 1.00 0.00 O ATOM 104 CB ILE A 6 19.519 -50.464 0.721 1.00 0.00 C ATOM 105 CG1 ILE A 6 19.955 -49.031 0.362 1.00 0.00 C ATOM 106 CG2 ILE A 6 18.668 -51.057 -0.454 1.00 0.00 C ATOM 107 CD1 ILE A 6 21.022 -48.991 -0.759 1.00 0.00 C ATOM 0 HA ILE A 6 17.723 -50.170 1.878 1.00 0.00 H new ATOM 0 HB ILE A 6 20.442 -51.023 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.082 -48.459 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.352 -48.543 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.224 -50.968 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.457 -52.108 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.730 -50.508 -0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.290 -47.956 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.909 -49.537 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.619 -49.452 -1.661 1.00 0.00 H new ATOM 119 N GLU A 7 19.853 -52.614 2.900 1.00 0.00 N ATOM 120 CA GLU A 7 20.005 -54.001 3.342 1.00 0.00 C ATOM 121 C GLU A 7 19.107 -54.378 4.543 1.00 0.00 C ATOM 122 O GLU A 7 18.850 -55.562 4.703 1.00 0.00 O ATOM 123 CB GLU A 7 21.506 -54.227 3.662 1.00 0.00 C ATOM 124 CG GLU A 7 21.940 -55.715 3.824 1.00 0.00 C ATOM 125 CD GLU A 7 23.419 -55.841 4.188 1.00 0.00 C ATOM 126 OE1 GLU A 7 23.758 -55.701 5.367 1.00 0.00 O ATOM 127 OE2 GLU A 7 24.226 -56.076 3.294 1.00 0.00 O ATOM 0 H GLU A 7 20.713 -52.070 2.978 1.00 0.00 H new ATOM 0 HA GLU A 7 19.671 -54.659 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 7 22.101 -53.778 2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.748 -53.694 4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.334 -56.188 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.748 -56.252 2.895 1.00 0.00 H new ATOM 134 N GLU A 8 18.613 -53.486 5.416 1.00 0.00 N ATOM 135 CA GLU A 8 17.606 -53.825 6.437 1.00 0.00 C ATOM 136 C GLU A 8 16.183 -54.038 5.866 1.00 0.00 C ATOM 137 O GLU A 8 15.503 -54.985 6.278 1.00 0.00 O ATOM 138 CB GLU A 8 17.665 -52.727 7.542 1.00 0.00 C ATOM 139 CG GLU A 8 16.856 -52.987 8.864 1.00 0.00 C ATOM 140 CD GLU A 8 15.451 -52.371 8.889 1.00 0.00 C ATOM 141 OE1 GLU A 8 15.317 -51.152 8.730 1.00 0.00 O ATOM 142 OE2 GLU A 8 14.491 -53.121 9.077 1.00 0.00 O ATOM 0 H GLU A 8 18.900 -52.507 5.435 1.00 0.00 H new ATOM 0 HA GLU A 8 17.848 -54.797 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.710 -52.576 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.309 -51.793 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.769 -54.063 9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.426 -52.593 9.706 1.00 0.00 H new ATOM 149 N GLU A 9 15.686 -53.201 4.943 1.00 0.00 N ATOM 150 CA GLU A 9 14.364 -53.415 4.307 1.00 0.00 C ATOM 151 C GLU A 9 14.418 -54.395 3.126 1.00 0.00 C ATOM 152 O GLU A 9 13.615 -55.324 3.050 1.00 0.00 O ATOM 153 CB GLU A 9 13.761 -52.030 3.991 1.00 0.00 C ATOM 154 CG GLU A 9 13.624 -51.121 5.276 1.00 0.00 C ATOM 155 CD GLU A 9 12.496 -51.464 6.267 1.00 0.00 C ATOM 156 OE1 GLU A 9 12.209 -52.634 6.558 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.910 -50.527 6.810 1.00 0.00 O ATOM 0 H GLU A 9 16.175 -52.368 4.616 1.00 0.00 H new ATOM 0 HA GLU A 9 13.688 -53.924 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.388 -51.524 3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.779 -52.160 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.570 -51.156 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.483 -50.091 4.947 1.00 0.00 H new ATOM 164 N ALA A 10 15.349 -54.209 2.199 1.00 0.00 N ATOM 165 CA ALA A 10 15.771 -55.250 1.249 1.00 0.00 C ATOM 166 C ALA A 10 16.596 -56.433 1.832 1.00 0.00 C ATOM 167 O ALA A 10 17.182 -57.189 1.056 1.00 0.00 O ATOM 168 CB ALA A 10 16.468 -54.524 0.084 1.00 0.00 C ATOM 0 H ALA A 10 15.842 -53.324 2.078 1.00 0.00 H new ATOM 0 HA ALA A 10 14.883 -55.784 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.802 -55.255 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.768 -53.831 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.328 -53.971 0.462 1.00 0.00 H new ATOM 174 N ALA A 11 16.730 -56.652 3.153 1.00 0.00 N ATOM 175 CA ALA A 11 16.880 -58.008 3.712 1.00 0.00 C ATOM 176 C ALA A 11 15.618 -58.863 3.531 1.00 0.00 C ATOM 177 O ALA A 11 15.676 -60.049 3.198 1.00 0.00 O ATOM 178 CB ALA A 11 17.176 -57.948 5.230 1.00 0.00 C ATOM 0 H ALA A 11 16.737 -55.909 3.852 1.00 0.00 H new ATOM 0 HA ALA A 11 17.707 -58.461 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.283 -58.960 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.100 -57.395 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.354 -57.447 5.741 1.00 0.00 H new ATOM 184 N LYS A 12 14.461 -58.216 3.708 1.00 0.00 N ATOM 185 CA LYS A 12 13.160 -58.869 3.791 1.00 0.00 C ATOM 186 C LYS A 12 12.626 -59.241 2.388 1.00 0.00 C ATOM 187 O LYS A 12 11.540 -58.849 1.968 1.00 0.00 O ATOM 188 CB LYS A 12 12.204 -57.920 4.572 1.00 0.00 C ATOM 189 CG LYS A 12 12.732 -57.514 5.971 1.00 0.00 C ATOM 190 CD LYS A 12 11.752 -56.582 6.711 1.00 0.00 C ATOM 191 CE LYS A 12 12.365 -55.952 7.970 1.00 0.00 C ATOM 192 NZ LYS A 12 13.236 -54.848 7.572 1.00 0.00 N ATOM 0 H LYS A 12 14.407 -57.201 3.799 1.00 0.00 H new ATOM 0 HA LYS A 12 13.238 -59.815 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.038 -57.019 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.236 -58.408 4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.901 -58.410 6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.695 -57.015 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.430 -55.791 6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.862 -57.146 6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.578 -55.591 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.933 -56.698 8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.656 -54.415 8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.992 -55.208 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.680 -54.135 7.058 1.00 0.00 H new ATOM 206 N TYR A 13 13.420 -60.040 1.663 1.00 0.00 N ATOM 207 CA TYR A 13 13.089 -60.572 0.337 1.00 0.00 C ATOM 208 C TYR A 13 11.950 -61.617 0.331 1.00 0.00 C ATOM 209 O TYR A 13 11.427 -61.970 -0.727 1.00 0.00 O ATOM 210 CB TYR A 13 14.399 -61.110 -0.313 1.00 0.00 C ATOM 211 CG TYR A 13 14.981 -60.102 -1.322 1.00 0.00 C ATOM 212 CD1 TYR A 13 15.326 -58.798 -0.984 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.130 -60.463 -2.652 1.00 0.00 C ATOM 214 CE1 TYR A 13 15.778 -57.906 -1.936 1.00 0.00 C ATOM 215 CE2 TYR A 13 15.581 -59.572 -3.606 1.00 0.00 C ATOM 216 CZ TYR A 13 15.891 -58.286 -3.249 1.00 0.00 C ATOM 217 OH TYR A 13 16.207 -57.381 -4.213 1.00 0.00 O ATOM 0 H TYR A 13 14.336 -60.342 1.994 1.00 0.00 H new ATOM 0 HA TYR A 13 12.681 -59.757 -0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 13 15.135 -61.315 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 13 14.196 -62.055 -0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.239 -58.477 0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 13 14.886 -61.472 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 13 16.045 -56.901 -1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.689 -59.889 -4.633 1.00 0.00 H new ATOM 0 HH TYR A 13 16.244 -57.830 -5.083 1.00 0.00 H new ATOM 227 N LYS A 14 11.575 -62.129 1.512 1.00 0.00 N ATOM 228 CA LYS A 14 10.283 -62.780 1.749 1.00 0.00 C ATOM 229 C LYS A 14 9.099 -61.805 1.567 1.00 0.00 C ATOM 230 O LYS A 14 8.066 -62.155 0.992 1.00 0.00 O ATOM 231 CB LYS A 14 10.265 -63.357 3.188 1.00 0.00 C ATOM 232 CG LYS A 14 11.277 -64.507 3.407 1.00 0.00 C ATOM 233 CD LYS A 14 11.368 -64.974 4.884 1.00 0.00 C ATOM 234 CE LYS A 14 10.108 -65.620 5.487 1.00 0.00 C ATOM 235 NZ LYS A 14 9.825 -66.869 4.792 1.00 0.00 N ATOM 0 H LYS A 14 12.171 -62.101 2.340 1.00 0.00 H new ATOM 0 HA LYS A 14 10.166 -63.577 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.480 -62.555 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.262 -63.719 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.994 -65.354 2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.263 -64.182 3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.187 -65.688 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.634 -64.113 5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.256 -65.808 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.260 -64.941 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.014 -67.341 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.601 -66.669 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.658 -67.490 4.841 1.00 0.00 H new ATOM 249 N TYR A 15 9.259 -60.557 2.027 1.00 0.00 N ATOM 250 CA TYR A 15 8.249 -59.507 1.899 1.00 0.00 C ATOM 251 C TYR A 15 8.571 -58.605 0.686 1.00 0.00 C ATOM 252 O TYR A 15 8.940 -57.419 0.753 1.00 0.00 O ATOM 253 CB TYR A 15 8.148 -58.735 3.236 1.00 0.00 C ATOM 254 CG TYR A 15 7.721 -59.665 4.385 1.00 0.00 C ATOM 255 CD1 TYR A 15 6.486 -60.295 4.385 1.00 0.00 C ATOM 256 CD2 TYR A 15 8.562 -59.923 5.453 1.00 0.00 C ATOM 257 CE1 TYR A 15 6.107 -61.147 5.404 1.00 0.00 C ATOM 258 CE2 TYR A 15 8.193 -60.774 6.475 1.00 0.00 C ATOM 259 CZ TYR A 15 6.967 -61.385 6.449 1.00 0.00 C ATOM 260 OH TYR A 15 6.620 -62.223 7.459 1.00 0.00 O ATOM 0 H TYR A 15 10.106 -60.248 2.504 1.00 0.00 H new ATOM 0 HA TYR A 15 7.267 -59.937 1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.111 -58.281 3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.429 -57.922 3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.803 -60.115 3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.531 -59.447 5.488 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.138 -61.624 5.380 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.871 -60.958 7.295 1.00 0.00 H new ATOM 0 HH TYR A 15 7.351 -62.272 8.110 1.00 0.00 H new ATOM 270 N ALA A 16 8.351 -59.297 -0.442 1.00 0.00 N ATOM 271 CA ALA A 16 8.653 -58.838 -1.796 1.00 0.00 C ATOM 272 C ALA A 16 7.998 -57.497 -2.173 1.00 0.00 C ATOM 273 O ALA A 16 8.631 -56.645 -2.797 1.00 0.00 O ATOM 274 CB ALA A 16 8.229 -59.955 -2.771 1.00 0.00 C ATOM 0 H ALA A 16 7.940 -60.231 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 16 9.723 -58.641 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.441 -59.645 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.785 -60.865 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.161 -60.146 -2.664 1.00 0.00 H new ATOM 280 N MET A 17 6.750 -57.304 -1.730 1.00 0.00 N ATOM 281 CA MET A 17 6.007 -56.055 -1.898 1.00 0.00 C ATOM 282 C MET A 17 6.632 -54.877 -1.124 1.00 0.00 C ATOM 283 O MET A 17 6.636 -53.743 -1.607 1.00 0.00 O ATOM 284 CB MET A 17 4.530 -56.262 -1.463 1.00 0.00 C ATOM 285 CG MET A 17 3.734 -57.267 -2.335 1.00 0.00 C ATOM 286 SD MET A 17 3.464 -56.725 -4.045 1.00 0.00 S ATOM 287 CE MET A 17 1.845 -55.926 -3.902 1.00 0.00 C ATOM 0 H MET A 17 6.222 -58.024 -1.237 1.00 0.00 H new ATOM 0 HA MET A 17 6.051 -55.792 -2.955 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.515 -56.607 -0.429 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.020 -55.299 -1.485 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.265 -58.219 -2.348 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.766 -57.449 -1.867 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.542 -55.541 -4.876 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.110 -56.652 -3.555 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.907 -55.103 -3.190 1.00 0.00 H new ATOM 297 N LEU A 18 7.227 -55.150 0.044 1.00 0.00 N ATOM 298 CA LEU A 18 7.724 -54.117 0.951 1.00 0.00 C ATOM 299 C LEU A 18 9.167 -53.722 0.610 1.00 0.00 C ATOM 300 O LEU A 18 9.471 -52.526 0.559 1.00 0.00 O ATOM 301 CB LEU A 18 7.532 -54.582 2.420 1.00 0.00 C ATOM 302 CG LEU A 18 6.074 -55.031 2.739 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.948 -55.524 4.184 1.00 0.00 C ATOM 304 CD2 LEU A 18 5.044 -53.915 2.495 1.00 0.00 C ATOM 0 H LEU A 18 7.376 -56.100 0.385 1.00 0.00 H new ATOM 0 HA LEU A 18 7.142 -53.204 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.212 -55.409 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.809 -53.769 3.090 1.00 0.00 H new ATOM 0 HG LEU A 18 5.857 -55.850 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.920 -55.830 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.614 -56.373 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.221 -54.720 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.046 -54.283 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.277 -53.060 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.078 -53.610 1.449 1.00 0.00 H new ATOM 316 N LYS A 19 10.080 -54.670 0.349 1.00 0.00 N ATOM 317 CA LYS A 19 11.293 -54.321 -0.398 1.00 0.00 C ATOM 318 C LYS A 19 11.031 -53.708 -1.802 1.00 0.00 C ATOM 319 O LYS A 19 11.830 -52.866 -2.216 1.00 0.00 O ATOM 320 CB LYS A 19 12.269 -55.527 -0.460 1.00 0.00 C ATOM 321 CG LYS A 19 11.892 -56.707 -1.393 1.00 0.00 C ATOM 322 CD LYS A 19 12.487 -56.578 -2.816 1.00 0.00 C ATOM 323 CE LYS A 19 12.167 -57.763 -3.715 1.00 0.00 C ATOM 324 NZ LYS A 19 12.951 -57.588 -4.931 1.00 0.00 N ATOM 0 H LYS A 19 10.007 -55.647 0.632 1.00 0.00 H new ATOM 0 HA LYS A 19 11.769 -53.517 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.246 -55.154 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.382 -55.920 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.237 -57.639 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.806 -56.771 -1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.107 -55.667 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.569 -56.470 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.420 -58.702 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.102 -57.800 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.620 -58.255 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.839 -56.614 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.954 -57.769 -4.726 1.00 0.00 H new ATOM 338 N LYS A 20 9.992 -54.052 -2.598 1.00 0.00 N ATOM 339 CA LYS A 20 9.694 -53.283 -3.819 1.00 0.00 C ATOM 340 C LYS A 20 9.171 -51.864 -3.486 1.00 0.00 C ATOM 341 O LYS A 20 9.384 -50.961 -4.296 1.00 0.00 O ATOM 342 CB LYS A 20 8.838 -54.072 -4.864 1.00 0.00 C ATOM 343 CG LYS A 20 7.298 -53.946 -4.795 1.00 0.00 C ATOM 344 CD LYS A 20 6.705 -52.897 -5.765 1.00 0.00 C ATOM 345 CE LYS A 20 5.293 -52.456 -5.366 1.00 0.00 C ATOM 346 NZ LYS A 20 5.413 -51.529 -4.244 1.00 0.00 N ATOM 0 H LYS A 20 9.364 -54.836 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 20 10.640 -53.131 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.153 -53.756 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.090 -55.128 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.855 -54.918 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.011 -53.686 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.359 -52.025 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.681 -53.312 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.792 -51.975 -6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.689 -53.319 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.545 -50.962 -4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.554 -52.065 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.226 -50.899 -4.400 1.00 0.00 H new ATOM 360 N CYS A 21 8.517 -51.610 -2.332 1.00 0.00 N ATOM 361 CA CYS A 21 8.337 -50.245 -1.805 1.00 0.00 C ATOM 362 C CYS A 21 9.666 -49.512 -1.501 1.00 0.00 C ATOM 363 O CYS A 21 9.743 -48.303 -1.739 1.00 0.00 O ATOM 364 CB CYS A 21 7.440 -50.259 -0.556 1.00 0.00 C ATOM 365 SG CYS A 21 5.707 -50.701 -0.855 1.00 0.00 S ATOM 0 H CYS A 21 8.105 -52.337 -1.748 1.00 0.00 H new ATOM 0 HA CYS A 21 7.851 -49.681 -2.601 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.858 -50.962 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.472 -49.272 -0.094 1.00 0.00 H new ATOM 370 N CYS A 22 10.709 -50.204 -0.994 1.00 0.00 N ATOM 371 CA CYS A 22 12.109 -49.721 -1.053 1.00 0.00 C ATOM 372 C CYS A 22 12.508 -49.290 -2.460 1.00 0.00 C ATOM 373 O CYS A 22 13.001 -48.182 -2.672 1.00 0.00 O ATOM 374 CB CYS A 22 13.114 -50.683 -0.343 1.00 0.00 C ATOM 375 SG CYS A 22 14.298 -49.890 0.788 1.00 0.00 S ATOM 0 H CYS A 22 10.607 -51.109 -0.534 1.00 0.00 H new ATOM 0 HA CYS A 22 12.164 -48.808 -0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.545 -51.425 0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.674 -51.222 -1.107 1.00 0.00 H new ATOM 380 N TYR A 23 12.238 -50.134 -3.438 1.00 0.00 N ATOM 381 CA TYR A 23 12.642 -49.840 -4.805 1.00 0.00 C ATOM 382 C TYR A 23 11.783 -48.750 -5.492 1.00 0.00 C ATOM 383 O TYR A 23 12.308 -48.001 -6.321 1.00 0.00 O ATOM 384 CB TYR A 23 12.802 -51.183 -5.509 1.00 0.00 C ATOM 385 CG TYR A 23 13.789 -52.141 -4.780 1.00 0.00 C ATOM 386 CD1 TYR A 23 14.550 -51.869 -3.619 1.00 0.00 C ATOM 387 CD2 TYR A 23 13.986 -53.370 -5.381 1.00 0.00 C ATOM 388 CE1 TYR A 23 15.476 -52.793 -3.162 1.00 0.00 C ATOM 389 CE2 TYR A 23 14.900 -54.287 -4.913 1.00 0.00 C ATOM 390 CZ TYR A 23 15.649 -53.998 -3.806 1.00 0.00 C ATOM 391 OH TYR A 23 16.561 -54.916 -3.380 1.00 0.00 O ATOM 0 H TYR A 23 11.746 -51.020 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 23 13.608 -49.337 -4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.827 -51.665 -5.585 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.154 -51.013 -6.526 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.409 -50.939 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.400 -53.621 -6.252 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.070 -52.565 -2.289 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.025 -55.233 -5.419 1.00 0.00 H new ATOM 0 HH TYR A 23 16.178 -55.815 -3.451 1.00 0.00 H new ATOM 401 N ASP A 24 10.494 -48.605 -5.125 1.00 0.00 N ATOM 402 CA ASP A 24 9.705 -47.390 -5.393 1.00 0.00 C ATOM 403 C ASP A 24 10.337 -46.126 -4.773 1.00 0.00 C ATOM 404 O ASP A 24 10.398 -45.088 -5.435 1.00 0.00 O ATOM 405 CB ASP A 24 8.235 -47.524 -4.890 1.00 0.00 C ATOM 406 CG ASP A 24 7.452 -48.667 -5.535 1.00 0.00 C ATOM 407 OD1 ASP A 24 7.505 -48.832 -6.750 1.00 0.00 O ATOM 408 OD2 ASP A 24 6.753 -49.369 -4.800 1.00 0.00 O ATOM 0 H ASP A 24 9.971 -49.330 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 24 9.702 -47.280 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.245 -47.670 -3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.711 -46.587 -5.081 1.00 0.00 H new ATOM 413 N GLY A 25 10.793 -46.207 -3.511 1.00 0.00 N ATOM 414 CA GLY A 25 11.571 -45.147 -2.854 1.00 0.00 C ATOM 415 C GLY A 25 12.848 -44.751 -3.600 1.00 0.00 C ATOM 416 O GLY A 25 13.043 -43.568 -3.884 1.00 0.00 O ATOM 0 H GLY A 25 10.629 -47.018 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.940 -44.265 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.838 -45.477 -1.850 1.00 0.00 H new ATOM 420 N ALA A 26 13.674 -45.757 -3.924 1.00 0.00 N ATOM 421 CA ALA A 26 14.914 -45.590 -4.688 1.00 0.00 C ATOM 422 C ALA A 26 14.723 -44.962 -6.084 1.00 0.00 C ATOM 423 O ALA A 26 15.499 -44.075 -6.453 1.00 0.00 O ATOM 424 CB ALA A 26 15.620 -46.956 -4.800 1.00 0.00 C ATOM 0 H ALA A 26 13.494 -46.725 -3.657 1.00 0.00 H new ATOM 0 HA ALA A 26 15.529 -44.877 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.544 -46.843 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.850 -47.330 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.966 -47.663 -5.310 1.00 0.00 H new ATOM 430 N TYR A 27 13.718 -45.371 -6.877 1.00 0.00 N ATOM 431 CA TYR A 27 13.415 -44.720 -8.160 1.00 0.00 C ATOM 432 C TYR A 27 12.698 -43.352 -8.012 1.00 0.00 C ATOM 433 O TYR A 27 11.523 -43.173 -8.343 1.00 0.00 O ATOM 434 CB TYR A 27 12.640 -45.703 -9.084 1.00 0.00 C ATOM 435 CG TYR A 27 13.570 -46.792 -9.644 1.00 0.00 C ATOM 436 CD1 TYR A 27 14.295 -46.592 -10.808 1.00 0.00 C ATOM 437 CD2 TYR A 27 13.720 -48.012 -9.009 1.00 0.00 C ATOM 438 CE1 TYR A 27 15.134 -47.567 -11.315 1.00 0.00 C ATOM 439 CE2 TYR A 27 14.555 -48.992 -9.506 1.00 0.00 C ATOM 440 CZ TYR A 27 15.261 -48.768 -10.659 1.00 0.00 C ATOM 441 OH TYR A 27 16.078 -49.739 -11.138 1.00 0.00 O ATOM 0 H TYR A 27 13.101 -46.151 -6.650 1.00 0.00 H new ATOM 0 HA TYR A 27 14.367 -44.477 -8.632 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.828 -46.167 -8.525 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.186 -45.151 -9.907 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.202 -45.652 -11.332 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.169 -48.203 -8.100 1.00 0.00 H new ATOM 0 HE1 TYR A 27 15.688 -47.385 -12.224 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.652 -49.934 -8.987 1.00 0.00 H new ATOM 0 HH TYR A 27 16.043 -50.518 -10.545 1.00 0.00 H new ATOM 451 N ARG A 28 13.448 -42.370 -7.489 1.00 0.00 N ATOM 452 CA ARG A 28 13.005 -40.976 -7.364 1.00 0.00 C ATOM 453 C ARG A 28 13.114 -40.171 -8.682 1.00 0.00 C ATOM 454 O ARG A 28 14.027 -40.394 -9.484 1.00 0.00 O ATOM 455 CB ARG A 28 13.869 -40.345 -6.246 1.00 0.00 C ATOM 456 CG ARG A 28 13.445 -38.922 -5.838 1.00 0.00 C ATOM 457 CD ARG A 28 14.250 -38.388 -4.664 1.00 0.00 C ATOM 458 NE ARG A 28 13.696 -37.078 -4.332 1.00 0.00 N ATOM 459 CZ ARG A 28 14.112 -36.292 -3.384 1.00 0.00 C ATOM 460 NH1 ARG A 28 15.059 -36.580 -2.577 1.00 0.00 N ATOM 461 NH2 ARG A 28 13.510 -35.180 -3.275 1.00 0.00 N ATOM 0 H ARG A 28 14.392 -42.526 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 28 11.943 -40.951 -7.120 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.830 -40.988 -5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.907 -40.320 -6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.564 -38.253 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.386 -38.922 -5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.183 -39.063 -3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.305 -38.307 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 28 12.911 -36.750 -4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.540 -37.476 -2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.334 -35.914 -1.855 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.747 -34.948 -3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.789 -34.518 -2.551 1.00 0.00 H new ATOM 475 N ASN A 29 12.204 -39.209 -8.919 1.00 0.00 N ATOM 476 CA ASN A 29 12.203 -38.415 -10.154 1.00 0.00 C ATOM 477 C ASN A 29 12.066 -36.894 -9.861 1.00 0.00 C ATOM 478 O ASN A 29 12.911 -36.337 -9.159 1.00 0.00 O ATOM 479 CB ASN A 29 11.101 -39.027 -11.083 1.00 0.00 C ATOM 480 CG ASN A 29 11.192 -38.516 -12.524 1.00 0.00 C ATOM 481 OD1 ASN A 29 12.223 -38.605 -13.177 1.00 0.00 O ATOM 482 ND2 ASN A 29 10.135 -37.973 -13.098 1.00 0.00 N ATOM 0 H ASN A 29 11.459 -38.965 -8.267 1.00 0.00 H new ATOM 0 HA ASN A 29 13.156 -38.471 -10.680 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.192 -40.113 -11.081 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.117 -38.788 -10.679 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.192 -37.641 -14.061 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.261 -37.885 -12.579 1.00 0.00 H new ATOM 489 N ASP A 30 11.046 -36.173 -10.356 1.00 0.00 N ATOM 490 CA ASP A 30 10.828 -34.732 -10.147 1.00 0.00 C ATOM 491 C ASP A 30 10.356 -34.305 -8.735 1.00 0.00 C ATOM 492 O ASP A 30 10.184 -33.112 -8.468 1.00 0.00 O ATOM 493 CB ASP A 30 9.833 -34.235 -11.245 1.00 0.00 C ATOM 494 CG ASP A 30 8.529 -35.037 -11.273 1.00 0.00 C ATOM 495 OD1 ASP A 30 8.572 -36.198 -11.689 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.501 -34.502 -10.873 1.00 0.00 O ATOM 0 H ASP A 30 10.321 -36.596 -10.936 1.00 0.00 H new ATOM 0 HA ASP A 30 11.806 -34.257 -10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.604 -33.184 -11.071 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.314 -34.299 -12.221 1.00 0.00 H new ATOM 501 N ASP A 31 10.134 -35.256 -7.821 1.00 0.00 N ATOM 502 CA ASP A 31 9.610 -34.999 -6.481 1.00 0.00 C ATOM 503 C ASP A 31 10.650 -34.366 -5.529 1.00 0.00 C ATOM 504 O ASP A 31 11.616 -34.990 -5.080 1.00 0.00 O ATOM 505 CB ASP A 31 8.965 -36.300 -5.910 1.00 0.00 C ATOM 506 CG ASP A 31 9.891 -37.518 -5.926 1.00 0.00 C ATOM 507 OD1 ASP A 31 10.336 -37.925 -7.004 1.00 0.00 O ATOM 508 OD2 ASP A 31 10.116 -38.093 -4.861 1.00 0.00 O ATOM 0 H ASP A 31 10.318 -36.243 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 31 8.830 -34.242 -6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.645 -36.114 -4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.069 -36.531 -6.486 1.00 0.00 H new ATOM 513 N GLU A 32 10.442 -33.069 -5.273 1.00 0.00 N ATOM 514 CA GLU A 32 11.217 -32.283 -4.306 1.00 0.00 C ATOM 515 C GLU A 32 11.115 -32.808 -2.860 1.00 0.00 C ATOM 516 O GLU A 32 12.098 -32.771 -2.118 1.00 0.00 O ATOM 517 CB GLU A 32 10.799 -30.789 -4.404 1.00 0.00 C ATOM 518 CG GLU A 32 11.008 -30.140 -5.818 1.00 0.00 C ATOM 519 CD GLU A 32 12.470 -30.107 -6.277 1.00 0.00 C ATOM 520 OE1 GLU A 32 13.151 -29.128 -5.991 1.00 0.00 O ATOM 521 OE2 GLU A 32 12.916 -31.059 -6.923 1.00 0.00 O ATOM 0 H GLU A 32 9.716 -32.526 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 32 12.270 -32.387 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.747 -30.702 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.367 -30.218 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.420 -30.692 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.620 -29.122 -5.800 1.00 0.00 H new ATOM 528 N THR A 33 9.942 -33.309 -2.450 1.00 0.00 N ATOM 529 CA THR A 33 9.793 -34.086 -1.214 1.00 0.00 C ATOM 530 C THR A 33 9.303 -35.517 -1.506 1.00 0.00 C ATOM 531 O THR A 33 8.434 -35.751 -2.354 1.00 0.00 O ATOM 532 CB THR A 33 8.850 -33.426 -0.166 1.00 0.00 C ATOM 533 OG1 THR A 33 7.568 -33.149 -0.699 1.00 0.00 O ATOM 534 CG2 THR A 33 9.371 -32.098 0.373 1.00 0.00 C ATOM 0 H THR A 33 9.071 -33.187 -2.966 1.00 0.00 H new ATOM 0 HA THR A 33 10.792 -34.116 -0.779 1.00 0.00 H new ATOM 0 HB THR A 33 8.802 -34.164 0.634 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.074 -32.571 -0.080 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.663 -31.697 1.098 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.335 -32.255 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.488 -31.392 -0.449 1.00 0.00 H new ATOM 542 N CYS A 34 9.897 -36.481 -0.792 1.00 0.00 N ATOM 543 CA CYS A 34 9.490 -37.892 -0.802 1.00 0.00 C ATOM 544 C CYS A 34 8.052 -38.117 -0.292 1.00 0.00 C ATOM 545 O CYS A 34 7.312 -38.970 -0.785 1.00 0.00 O ATOM 546 CB CYS A 34 10.459 -38.685 0.113 1.00 0.00 C ATOM 547 SG CYS A 34 12.173 -38.773 -0.468 1.00 0.00 S ATOM 0 H CYS A 34 10.691 -36.298 -0.178 1.00 0.00 H new ATOM 0 HA CYS A 34 9.524 -38.231 -1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.451 -38.230 1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.078 -39.700 0.225 1.00 0.00 H new ATOM 552 N GLU A 35 7.679 -37.305 0.704 1.00 0.00 N ATOM 553 CA GLU A 35 6.437 -37.416 1.461 1.00 0.00 C ATOM 554 C GLU A 35 5.169 -37.122 0.644 1.00 0.00 C ATOM 555 O GLU A 35 4.141 -37.706 0.967 1.00 0.00 O ATOM 556 CB GLU A 35 6.488 -36.447 2.681 1.00 0.00 C ATOM 557 CG GLU A 35 7.591 -36.726 3.765 1.00 0.00 C ATOM 558 CD GLU A 35 9.048 -36.489 3.333 1.00 0.00 C ATOM 559 OE1 GLU A 35 9.313 -35.719 2.405 1.00 0.00 O ATOM 560 OE2 GLU A 35 9.927 -37.105 3.936 1.00 0.00 O ATOM 0 H GLU A 35 8.259 -36.525 1.013 1.00 0.00 H new ATOM 0 HA GLU A 35 6.368 -38.458 1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.631 -35.434 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.516 -36.469 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.385 -36.098 4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.495 -37.762 4.091 1.00 0.00 H new ATOM 567 N GLU A 36 5.172 -36.252 -0.377 1.00 0.00 N ATOM 568 CA GLU A 36 4.007 -36.053 -1.254 1.00 0.00 C ATOM 569 C GLU A 36 3.750 -37.269 -2.172 1.00 0.00 C ATOM 570 O GLU A 36 2.617 -37.743 -2.353 1.00 0.00 O ATOM 571 CB GLU A 36 4.192 -34.753 -2.090 1.00 0.00 C ATOM 572 CG GLU A 36 4.332 -33.442 -1.250 1.00 0.00 C ATOM 573 CD GLU A 36 3.154 -33.162 -0.312 1.00 0.00 C ATOM 574 OE1 GLU A 36 2.106 -32.738 -0.793 1.00 0.00 O ATOM 575 OE2 GLU A 36 3.313 -33.353 0.892 1.00 0.00 O ATOM 0 H GLU A 36 5.975 -35.671 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 36 3.126 -35.950 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.079 -34.863 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.341 -34.647 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.246 -33.500 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.446 -32.599 -1.931 1.00 0.00 H new ATOM 582 N ARG A 37 4.853 -37.764 -2.755 1.00 0.00 N ATOM 583 CA ARG A 37 4.876 -39.016 -3.506 1.00 0.00 C ATOM 584 C ARG A 37 4.411 -40.183 -2.615 1.00 0.00 C ATOM 585 O ARG A 37 3.457 -40.873 -2.977 1.00 0.00 O ATOM 586 CB ARG A 37 6.301 -39.211 -4.107 1.00 0.00 C ATOM 587 CG ARG A 37 6.437 -40.462 -5.009 1.00 0.00 C ATOM 588 CD ARG A 37 7.636 -40.428 -5.976 1.00 0.00 C ATOM 589 NE ARG A 37 8.921 -40.539 -5.270 1.00 0.00 N ATOM 590 CZ ARG A 37 9.683 -41.599 -5.208 1.00 0.00 C ATOM 591 NH1 ARG A 37 9.432 -42.693 -5.823 1.00 0.00 N ATOM 592 NH2 ARG A 37 10.744 -41.540 -4.502 1.00 0.00 N ATOM 0 H ARG A 37 5.759 -37.297 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 37 4.174 -38.986 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.564 -38.327 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.021 -39.283 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.524 -41.344 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.522 -40.576 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.546 -41.244 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.615 -39.499 -6.546 1.00 0.00 H new ATOM 0 HE ARG A 37 9.250 -39.707 -4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.596 -42.772 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.068 -43.486 -5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.978 -40.681 -4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.358 -42.352 -4.435 1.00 0.00 H new ATOM 606 N ALA A 38 4.999 -40.388 -1.431 1.00 0.00 N ATOM 607 CA ALA A 38 4.559 -41.431 -0.507 1.00 0.00 C ATOM 608 C ALA A 38 3.339 -41.120 0.397 1.00 0.00 C ATOM 609 O ALA A 38 2.929 -41.974 1.182 1.00 0.00 O ATOM 610 CB ALA A 38 5.789 -41.958 0.207 1.00 0.00 C ATOM 0 H ALA A 38 5.788 -39.838 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 38 4.104 -42.226 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.496 -42.741 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.487 -42.367 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.270 -41.145 0.752 1.00 0.00 H new ATOM 616 N ALA A 39 2.737 -39.921 0.357 1.00 0.00 N ATOM 617 CA ALA A 39 1.322 -39.736 0.700 1.00 0.00 C ATOM 618 C ALA A 39 0.378 -40.368 -0.341 1.00 0.00 C ATOM 619 O ALA A 39 -0.721 -40.807 0.013 1.00 0.00 O ATOM 620 CB ALA A 39 1.005 -38.236 0.861 1.00 0.00 C ATOM 0 H ALA A 39 3.214 -39.061 0.088 1.00 0.00 H new ATOM 0 HA ALA A 39 1.151 -40.249 1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.048 -38.112 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.622 -37.817 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.216 -37.717 -0.074 1.00 0.00 H new ATOM 626 N ARG A 40 0.759 -40.361 -1.629 1.00 0.00 N ATOM 627 CA ARG A 40 0.081 -41.180 -2.647 1.00 0.00 C ATOM 628 C ARG A 40 0.383 -42.700 -2.569 1.00 0.00 C ATOM 629 O ARG A 40 -0.504 -43.503 -2.862 1.00 0.00 O ATOM 630 CB ARG A 40 0.386 -40.590 -4.043 1.00 0.00 C ATOM 631 CG ARG A 40 -0.349 -39.245 -4.261 1.00 0.00 C ATOM 632 CD ARG A 40 0.143 -38.491 -5.497 1.00 0.00 C ATOM 633 NE ARG A 40 1.412 -37.834 -5.174 1.00 0.00 N ATOM 634 CZ ARG A 40 2.133 -37.140 -6.010 1.00 0.00 C ATOM 635 NH1 ARG A 40 1.851 -36.972 -7.248 1.00 0.00 N ATOM 636 NH2 ARG A 40 3.193 -36.592 -5.573 1.00 0.00 N ATOM 0 H ARG A 40 1.530 -39.799 -1.989 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.989 -41.128 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.460 -40.441 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.085 -41.300 -4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.418 -39.433 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.214 -38.616 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.276 -39.180 -6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.596 -37.753 -5.808 1.00 0.00 H new ATOM 0 HE ARG A 40 1.759 -37.927 -4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.011 -37.396 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.466 -36.414 -7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.458 -36.702 -4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.779 -36.042 -6.201 1.00 0.00 H new ATOM 650 N ILE A 41 1.599 -43.157 -2.226 1.00 0.00 N ATOM 651 CA ILE A 41 1.894 -44.559 -1.884 1.00 0.00 C ATOM 652 C ILE A 41 1.415 -44.963 -0.469 1.00 0.00 C ATOM 653 O ILE A 41 2.089 -44.974 0.562 1.00 0.00 O ATOM 654 CB ILE A 41 3.352 -44.996 -2.208 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.678 -44.798 -3.703 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.607 -46.444 -1.902 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.561 -43.587 -3.799 1.00 0.00 C ATOM 0 H ILE A 41 2.419 -42.552 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 41 1.280 -45.148 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 41 3.981 -44.368 -1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.181 -45.676 -4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.765 -44.658 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.640 -46.691 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.432 -46.628 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.934 -47.065 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.819 -43.407 -4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.034 -42.720 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.472 -43.754 -3.224 1.00 0.00 H new ATOM 669 N LYS A 42 0.148 -45.344 -0.560 1.00 0.00 N ATOM 670 CA LYS A 42 -0.728 -45.706 0.563 1.00 0.00 C ATOM 671 C LYS A 42 -0.749 -47.202 0.955 1.00 0.00 C ATOM 672 O LYS A 42 -1.509 -47.573 1.852 1.00 0.00 O ATOM 673 CB LYS A 42 -2.182 -45.245 0.252 1.00 0.00 C ATOM 674 CG LYS A 42 -2.315 -43.733 0.007 1.00 0.00 C ATOM 675 CD LYS A 42 -3.784 -43.270 -0.044 1.00 0.00 C ATOM 676 CE LYS A 42 -3.967 -41.821 -0.522 1.00 0.00 C ATOM 677 NZ LYS A 42 -3.236 -40.901 0.343 1.00 0.00 N ATOM 0 H LYS A 42 -0.327 -45.415 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.302 -45.191 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.542 -45.779 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.828 -45.527 1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.795 -43.193 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.824 -43.476 -0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.340 -43.933 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.221 -43.372 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.613 -41.723 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.026 -41.564 -0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.686 -39.964 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.248 -41.259 1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.252 -40.824 0.015 1.00 0.00 H new ATOM 691 N ILE A 43 0.077 -48.065 0.342 1.00 0.00 N ATOM 692 CA ILE A 43 -0.064 -49.533 0.391 1.00 0.00 C ATOM 693 C ILE A 43 0.050 -50.148 1.807 1.00 0.00 C ATOM 694 O ILE A 43 -0.730 -51.046 2.138 1.00 0.00 O ATOM 695 CB ILE A 43 0.920 -50.182 -0.653 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.568 -49.710 -2.099 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.922 -51.737 -0.600 1.00 0.00 C ATOM 698 CD1 ILE A 43 1.663 -49.991 -3.154 1.00 0.00 C ATOM 0 H ILE A 43 0.877 -47.759 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.089 -49.772 0.109 1.00 0.00 H new ATOM 0 HB ILE A 43 1.921 -49.846 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.354 -50.200 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.368 -48.639 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.619 -52.125 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.228 -52.067 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.080 -52.110 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.332 -49.630 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.582 -49.478 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.848 -51.064 -3.209 1.00 0.00 H new ATOM 710 N GLY A 44 0.969 -49.690 2.671 1.00 0.00 N ATOM 711 CA GLY A 44 1.048 -50.173 4.059 1.00 0.00 C ATOM 712 C GLY A 44 2.094 -49.472 4.954 1.00 0.00 C ATOM 713 O GLY A 44 3.002 -48.848 4.397 1.00 0.00 O ATOM 0 H GLY A 44 1.668 -48.986 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.067 -50.059 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.269 -51.240 4.041 1.00 0.00 H new ATOM 717 N PRO A 45 2.043 -49.550 6.312 1.00 0.00 N ATOM 718 CA PRO A 45 3.027 -48.947 7.241 1.00 0.00 C ATOM 719 C PRO A 45 4.509 -49.290 6.978 1.00 0.00 C ATOM 720 O PRO A 45 5.353 -48.393 6.886 1.00 0.00 O ATOM 721 CB PRO A 45 2.584 -49.467 8.621 1.00 0.00 C ATOM 722 CG PRO A 45 1.085 -49.567 8.459 1.00 0.00 C ATOM 723 CD PRO A 45 0.947 -50.174 7.066 1.00 0.00 C ATOM 0 HA PRO A 45 3.018 -47.863 7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.033 -50.432 8.856 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.862 -48.782 9.422 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.635 -50.199 9.224 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.603 -48.592 8.527 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.043 -51.260 7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.024 -49.949 6.624 1.00 0.00 H new ATOM 731 N LYS A 46 4.829 -50.586 6.843 1.00 0.00 N ATOM 732 CA LYS A 46 6.167 -51.040 6.455 1.00 0.00 C ATOM 733 C LYS A 46 6.547 -50.692 5.001 1.00 0.00 C ATOM 734 O LYS A 46 7.738 -50.591 4.698 1.00 0.00 O ATOM 735 CB LYS A 46 6.340 -52.555 6.744 1.00 0.00 C ATOM 736 CG LYS A 46 7.109 -52.887 8.048 1.00 0.00 C ATOM 737 CD LYS A 46 8.615 -52.546 7.934 1.00 0.00 C ATOM 738 CE LYS A 46 9.422 -53.050 9.123 1.00 0.00 C ATOM 739 NZ LYS A 46 10.787 -52.570 8.947 1.00 0.00 N ATOM 0 H LYS A 46 4.166 -51.345 7.000 1.00 0.00 H new ATOM 0 HA LYS A 46 6.869 -50.483 7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.353 -53.015 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.863 -53.013 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.673 -52.331 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.993 -53.946 8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.014 -52.982 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.734 -51.466 7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.001 -52.681 10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.399 -54.139 9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.423 -53.090 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.084 -52.722 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.829 -51.555 9.168 1.00 0.00 H new ATOM 753 N CYS A 47 5.559 -50.481 4.113 1.00 0.00 N ATOM 754 CA CYS A 47 5.792 -49.956 2.768 1.00 0.00 C ATOM 755 C CYS A 47 6.276 -48.499 2.833 1.00 0.00 C ATOM 756 O CYS A 47 7.368 -48.243 2.325 1.00 0.00 O ATOM 757 CB CYS A 47 4.528 -50.105 1.882 1.00 0.00 C ATOM 758 SG CYS A 47 4.652 -49.367 0.230 1.00 0.00 S ATOM 0 H CYS A 47 4.577 -50.672 4.314 1.00 0.00 H new ATOM 0 HA CYS A 47 6.581 -50.546 2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.304 -51.166 1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.684 -49.653 2.402 1.00 0.00 H new ATOM 763 N VAL A 48 5.517 -47.557 3.435 1.00 0.00 N ATOM 764 CA VAL A 48 6.016 -46.203 3.718 1.00 0.00 C ATOM 765 C VAL A 48 7.367 -46.163 4.455 1.00 0.00 C ATOM 766 O VAL A 48 8.203 -45.324 4.130 1.00 0.00 O ATOM 767 CB VAL A 48 5.003 -45.261 4.462 1.00 0.00 C ATOM 768 CG1 VAL A 48 4.732 -44.044 3.595 1.00 0.00 C ATOM 769 CG2 VAL A 48 3.637 -45.848 4.804 1.00 0.00 C ATOM 0 H VAL A 48 4.554 -47.715 3.733 1.00 0.00 H new ATOM 0 HA VAL A 48 6.157 -45.812 2.710 1.00 0.00 H new ATOM 0 HB VAL A 48 5.498 -45.049 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.029 -43.384 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.665 -43.511 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.307 -44.363 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.035 -45.096 5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.133 -46.155 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.765 -46.713 5.455 1.00 0.00 H new ATOM 779 N LYS A 49 7.596 -47.051 5.433 1.00 0.00 N ATOM 780 CA LYS A 49 8.899 -47.194 6.102 1.00 0.00 C ATOM 781 C LYS A 49 10.079 -47.627 5.187 1.00 0.00 C ATOM 782 O LYS A 49 11.129 -46.968 5.222 1.00 0.00 O ATOM 783 CB LYS A 49 8.742 -48.158 7.309 1.00 0.00 C ATOM 784 CG LYS A 49 9.060 -47.516 8.687 1.00 0.00 C ATOM 785 CD LYS A 49 10.011 -48.389 9.548 1.00 0.00 C ATOM 786 CE LYS A 49 11.509 -48.067 9.385 1.00 0.00 C ATOM 787 NZ LYS A 49 11.921 -48.227 7.994 1.00 0.00 N ATOM 0 H LYS A 49 6.883 -47.691 5.783 1.00 0.00 H new ATOM 0 HA LYS A 49 9.182 -46.195 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.720 -48.537 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.398 -49.016 7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.513 -46.537 8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.130 -47.354 9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.740 -48.270 10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.849 -49.437 9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.705 -47.046 9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.099 -48.725 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.946 -48.072 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.691 -49.189 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.420 -47.534 7.402 1.00 0.00 H new ATOM 801 N ALA A 50 9.956 -48.721 4.406 1.00 0.00 N ATOM 802 CA ALA A 50 10.913 -49.113 3.350 1.00 0.00 C ATOM 803 C ALA A 50 11.115 -47.981 2.321 1.00 0.00 C ATOM 804 O ALA A 50 12.255 -47.625 2.007 1.00 0.00 O ATOM 805 CB ALA A 50 10.380 -50.403 2.689 1.00 0.00 C ATOM 0 H ALA A 50 9.173 -49.369 4.494 1.00 0.00 H new ATOM 0 HA ALA A 50 11.895 -49.299 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.066 -50.719 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.300 -51.190 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.397 -50.212 2.258 1.00 0.00 H new ATOM 811 N PHE A 51 9.996 -47.374 1.886 1.00 0.00 N ATOM 812 CA PHE A 51 9.973 -46.207 1.002 1.00 0.00 C ATOM 813 C PHE A 51 10.795 -45.038 1.570 1.00 0.00 C ATOM 814 O PHE A 51 11.727 -44.594 0.907 1.00 0.00 O ATOM 815 CB PHE A 51 8.490 -45.768 0.832 1.00 0.00 C ATOM 816 CG PHE A 51 8.233 -44.954 -0.435 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.784 -43.699 -0.646 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.534 -45.526 -1.477 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.677 -43.062 -1.863 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.421 -44.901 -2.682 1.00 0.00 C ATOM 821 CZ PHE A 51 7.998 -43.672 -2.888 1.00 0.00 C ATOM 0 H PHE A 51 9.064 -47.693 2.149 1.00 0.00 H new ATOM 0 HA PHE A 51 10.419 -46.479 0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.857 -46.655 0.818 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.193 -45.178 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.309 -43.210 0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.067 -46.489 -1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.124 -42.090 -2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.873 -45.376 -3.482 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.918 -43.189 -3.850 1.00 0.00 H new ATOM 831 N LYS A 52 10.468 -44.556 2.779 1.00 0.00 N ATOM 832 CA LYS A 52 11.137 -43.427 3.428 1.00 0.00 C ATOM 833 C LYS A 52 12.644 -43.663 3.651 1.00 0.00 C ATOM 834 O LYS A 52 13.434 -42.746 3.400 1.00 0.00 O ATOM 835 CB LYS A 52 10.376 -43.144 4.756 1.00 0.00 C ATOM 836 CG LYS A 52 10.863 -42.005 5.678 1.00 0.00 C ATOM 837 CD LYS A 52 10.863 -40.606 5.032 1.00 0.00 C ATOM 838 CE LYS A 52 11.121 -39.542 6.097 1.00 0.00 C ATOM 839 NZ LYS A 52 11.603 -38.339 5.431 1.00 0.00 N ATOM 0 H LYS A 52 9.715 -44.951 3.341 1.00 0.00 H new ATOM 0 HA LYS A 52 11.100 -42.554 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.337 -42.937 4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.383 -44.064 5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.231 -41.980 6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.874 -42.235 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.630 -40.553 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.906 -40.421 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.207 -39.329 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.856 -39.897 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.769 -37.594 6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.492 -38.550 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.892 -38.013 4.745 1.00 0.00 H new ATOM 853 N ASP A 53 13.067 -44.873 4.068 1.00 0.00 N ATOM 854 CA ASP A 53 14.498 -45.180 4.178 1.00 0.00 C ATOM 855 C ASP A 53 15.233 -45.203 2.822 1.00 0.00 C ATOM 856 O ASP A 53 16.218 -44.469 2.666 1.00 0.00 O ATOM 857 CB ASP A 53 14.721 -46.477 4.996 1.00 0.00 C ATOM 858 CG ASP A 53 14.398 -46.311 6.486 1.00 0.00 C ATOM 859 OD1 ASP A 53 14.387 -45.201 7.013 1.00 0.00 O ATOM 860 OD2 ASP A 53 14.183 -47.337 7.147 1.00 0.00 O ATOM 0 H ASP A 53 12.446 -45.639 4.329 1.00 0.00 H new ATOM 0 HA ASP A 53 14.953 -44.355 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.100 -47.272 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.758 -46.794 4.888 1.00 0.00 H new ATOM 865 N CYS A 54 14.784 -45.991 1.831 1.00 0.00 N ATOM 866 CA CYS A 54 15.333 -45.920 0.472 1.00 0.00 C ATOM 867 C CYS A 54 15.181 -44.544 -0.222 1.00 0.00 C ATOM 868 O CYS A 54 16.013 -44.217 -1.072 1.00 0.00 O ATOM 869 CB CYS A 54 14.744 -47.044 -0.393 1.00 0.00 C ATOM 870 SG CYS A 54 15.533 -48.675 -0.255 1.00 0.00 S ATOM 0 H CYS A 54 14.043 -46.683 1.948 1.00 0.00 H new ATOM 0 HA CYS A 54 16.409 -46.056 0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.690 -47.153 -0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.789 -46.731 -1.436 1.00 0.00 H new ATOM 875 N CYS A 55 14.167 -43.720 0.096 1.00 0.00 N ATOM 876 CA CYS A 55 14.087 -42.330 -0.371 1.00 0.00 C ATOM 877 C CYS A 55 15.123 -41.407 0.310 1.00 0.00 C ATOM 878 O CYS A 55 15.633 -40.492 -0.345 1.00 0.00 O ATOM 879 CB CYS A 55 12.646 -41.787 -0.230 1.00 0.00 C ATOM 880 SG CYS A 55 12.226 -40.527 -1.464 1.00 0.00 S ATOM 0 H CYS A 55 13.382 -44.001 0.684 1.00 0.00 H new ATOM 0 HA CYS A 55 14.345 -42.332 -1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.944 -42.616 -0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.521 -41.364 0.767 1.00 0.00 H new ATOM 885 N TYR A 56 15.473 -41.610 1.595 1.00 0.00 N ATOM 886 CA TYR A 56 16.689 -41.020 2.175 1.00 0.00 C ATOM 887 C TYR A 56 17.972 -41.436 1.431 1.00 0.00 C ATOM 888 O TYR A 56 18.859 -40.592 1.268 1.00 0.00 O ATOM 889 CB TYR A 56 16.855 -41.352 3.689 1.00 0.00 C ATOM 890 CG TYR A 56 16.062 -40.440 4.639 1.00 0.00 C ATOM 891 CD1 TYR A 56 16.069 -39.056 4.530 1.00 0.00 C ATOM 892 CD2 TYR A 56 15.383 -40.978 5.720 1.00 0.00 C ATOM 893 CE1 TYR A 56 15.435 -38.251 5.454 1.00 0.00 C ATOM 894 CE2 TYR A 56 14.750 -40.180 6.652 1.00 0.00 C ATOM 895 CZ TYR A 56 14.777 -38.814 6.515 1.00 0.00 C ATOM 896 OH TYR A 56 14.150 -38.009 7.411 1.00 0.00 O ATOM 0 H TYR A 56 14.931 -42.177 2.247 1.00 0.00 H new ATOM 0 HA TYR A 56 16.552 -39.945 2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.546 -42.384 3.856 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.912 -41.290 3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.585 -38.597 3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.348 -42.051 5.837 1.00 0.00 H new ATOM 0 HE1 TYR A 56 15.458 -37.177 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 56 14.234 -40.630 7.488 1.00 0.00 H new ATOM 0 HH TYR A 56 13.728 -38.558 8.105 1.00 0.00 H new ATOM 906 N ILE A 57 18.129 -42.705 1.014 1.00 0.00 N ATOM 907 CA ILE A 57 19.203 -43.090 0.078 1.00 0.00 C ATOM 908 C ILE A 57 19.102 -42.389 -1.290 1.00 0.00 C ATOM 909 O ILE A 57 20.111 -41.868 -1.771 1.00 0.00 O ATOM 910 CB ILE A 57 19.345 -44.640 -0.061 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.973 -45.232 1.221 1.00 0.00 C ATOM 912 CG2 ILE A 57 20.161 -45.126 -1.288 1.00 0.00 C ATOM 913 CD1 ILE A 57 18.948 -45.847 2.176 1.00 0.00 C ATOM 0 H ILE A 57 17.531 -43.477 1.307 1.00 0.00 H new ATOM 0 HA ILE A 57 20.127 -42.727 0.529 1.00 0.00 H new ATOM 0 HB ILE A 57 18.327 -44.998 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.700 -45.994 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.520 -44.447 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.199 -46.215 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.684 -44.777 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.174 -44.728 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.460 -46.243 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.235 -45.083 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.418 -46.654 1.670 1.00 0.00 H new ATOM 925 N ALA A 58 17.919 -42.365 -1.917 1.00 0.00 N ATOM 926 CA ALA A 58 17.674 -41.595 -3.146 1.00 0.00 C ATOM 927 C ALA A 58 18.020 -40.092 -3.020 1.00 0.00 C ATOM 928 O ALA A 58 18.553 -39.507 -3.965 1.00 0.00 O ATOM 929 CB ALA A 58 16.218 -41.764 -3.577 1.00 0.00 C ATOM 0 H ALA A 58 17.103 -42.879 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 58 18.346 -41.998 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.039 -41.192 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.014 -42.818 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.560 -41.402 -2.787 1.00 0.00 H new ATOM 935 N ASN A 59 17.727 -39.455 -1.872 1.00 0.00 N ATOM 936 CA ASN A 59 18.198 -38.100 -1.560 1.00 0.00 C ATOM 937 C ASN A 59 19.735 -38.005 -1.421 1.00 0.00 C ATOM 938 O ASN A 59 20.317 -37.022 -1.884 1.00 0.00 O ATOM 939 CB ASN A 59 17.488 -37.584 -0.279 1.00 0.00 C ATOM 940 CG ASN A 59 17.456 -36.055 -0.245 1.00 0.00 C ATOM 941 OD1 ASN A 59 16.442 -35.442 -0.564 1.00 0.00 O ATOM 942 ND2 ASN A 59 18.529 -35.377 0.117 1.00 0.00 N ATOM 0 H ASN A 59 17.156 -39.869 -1.135 1.00 0.00 H new ATOM 0 HA ASN A 59 17.938 -37.463 -2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 59 16.470 -37.973 -0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.005 -37.960 0.604 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.508 -34.357 0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.379 -35.873 0.385 1.00 0.00 H new ATOM 949 N GLN A 60 20.401 -38.977 -0.778 1.00 0.00 N ATOM 950 CA GLN A 60 21.868 -39.079 -0.758 1.00 0.00 C ATOM 951 C GLN A 60 22.497 -39.344 -2.144 1.00 0.00 C ATOM 952 O GLN A 60 23.609 -38.879 -2.399 1.00 0.00 O ATOM 953 CB GLN A 60 22.289 -40.182 0.239 1.00 0.00 C ATOM 954 CG GLN A 60 22.107 -39.765 1.720 1.00 0.00 C ATOM 955 CD GLN A 60 22.113 -40.988 2.635 1.00 0.00 C ATOM 956 OE1 GLN A 60 23.145 -41.506 3.050 1.00 0.00 O ATOM 957 NE2 GLN A 60 20.950 -41.503 2.973 1.00 0.00 N ATOM 0 H GLN A 60 19.934 -39.718 -0.255 1.00 0.00 H new ATOM 0 HA GLN A 60 22.247 -38.107 -0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.703 -41.081 0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.334 -40.440 0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.907 -39.084 2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.169 -39.223 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.087 -41.080 2.633 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.912 -42.326 3.575 1.00 0.00 H new ATOM 966 N VAL A 61 21.832 -40.104 -3.031 1.00 0.00 N ATOM 967 CA VAL A 61 22.186 -40.178 -4.459 1.00 0.00 C ATOM 968 C VAL A 61 21.978 -38.823 -5.171 1.00 0.00 C ATOM 969 O VAL A 61 22.899 -38.350 -5.838 1.00 0.00 O ATOM 970 CB VAL A 61 21.413 -41.335 -5.178 1.00 0.00 C ATOM 971 CG1 VAL A 61 21.722 -41.448 -6.689 1.00 0.00 C ATOM 972 CG2 VAL A 61 21.730 -42.709 -4.557 1.00 0.00 C ATOM 0 H VAL A 61 21.033 -40.685 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 61 23.250 -40.409 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 61 20.364 -41.071 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 61 21.150 -42.271 -7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.448 -40.518 -7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 61 22.787 -41.635 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 61 21.174 -43.484 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 61 22.798 -42.908 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.443 -42.708 -3.506 1.00 0.00 H new ATOM 982 N ARG A 62 20.810 -38.170 -5.024 1.00 0.00 N ATOM 983 CA ARG A 62 20.536 -36.840 -5.593 1.00 0.00 C ATOM 984 C ARG A 62 21.497 -35.736 -5.088 1.00 0.00 C ATOM 985 O ARG A 62 21.901 -34.868 -5.866 1.00 0.00 O ATOM 986 CB ARG A 62 19.050 -36.493 -5.303 1.00 0.00 C ATOM 987 CG ARG A 62 18.532 -35.226 -6.018 1.00 0.00 C ATOM 988 CD ARG A 62 17.040 -34.994 -5.768 1.00 0.00 C ATOM 989 NE ARG A 62 16.682 -33.746 -6.436 1.00 0.00 N ATOM 990 CZ ARG A 62 15.484 -33.242 -6.522 1.00 0.00 C ATOM 991 NH1 ARG A 62 14.425 -33.780 -6.050 1.00 0.00 N ATOM 992 NH2 ARG A 62 15.343 -32.128 -7.120 1.00 0.00 N ATOM 0 H ARG A 62 20.023 -38.556 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 62 20.715 -36.880 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.429 -37.339 -5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.924 -36.364 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.096 -34.359 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.710 -35.316 -7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.450 -35.823 -6.159 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.833 -34.932 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 62 17.439 -33.221 -6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.481 -34.674 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.524 -33.316 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.156 -31.655 -7.516 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.417 -31.708 -7.204 1.00 0.00 H new ATOM 1006 N ALA A 63 21.884 -35.745 -3.802 1.00 0.00 N ATOM 1007 CA ALA A 63 22.951 -34.881 -3.283 1.00 0.00 C ATOM 1008 C ALA A 63 24.379 -35.493 -3.347 1.00 0.00 C ATOM 1009 O ALA A 63 25.306 -34.980 -2.710 1.00 0.00 O ATOM 1010 CB ALA A 63 22.548 -34.479 -1.847 1.00 0.00 C ATOM 0 H ALA A 63 21.466 -36.351 -3.096 1.00 0.00 H new ATOM 0 HA ALA A 63 23.035 -34.008 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 63 23.316 -33.834 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 63 21.598 -33.945 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 63 22.445 -35.374 -1.234 1.00 0.00 H new ATOM 1016 N GLU A 64 24.543 -36.591 -4.109 1.00 0.00 N ATOM 1017 CA GLU A 64 25.798 -37.282 -4.450 1.00 0.00 C ATOM 1018 C GLU A 64 26.754 -37.593 -3.265 1.00 0.00 C ATOM 1019 O GLU A 64 27.936 -37.234 -3.258 1.00 0.00 O ATOM 1020 CB GLU A 64 26.466 -36.510 -5.636 1.00 0.00 C ATOM 1021 CG GLU A 64 27.513 -37.326 -6.469 1.00 0.00 C ATOM 1022 CD GLU A 64 26.901 -38.494 -7.250 1.00 0.00 C ATOM 1023 OE1 GLU A 64 26.487 -38.282 -8.387 1.00 0.00 O ATOM 1024 OE2 GLU A 64 26.868 -39.604 -6.721 1.00 0.00 O ATOM 0 H GLU A 64 23.739 -37.052 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 64 25.546 -38.295 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.681 -36.165 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 64 26.957 -35.622 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 64 28.012 -36.654 -7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 64 28.279 -37.712 -5.796 1.00 0.00 H new