USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 Single : A 11 LYS NZ :NH3+ 153:sc= 0.124 (180deg=-0.278) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 170:sc= -6.92! (180deg=-7.07!) USER MOD Single : A 48 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.8!) USER MOD Single : A 51 MET CE :methyl 176:sc= -2.47 (180deg=-2.64) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -1.73! K(o=-1.7!,f=0.082) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 9:sc= -0.751 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.83! C(o=-1.8!,f=-3!) USER MOD Single : A 82 ASN : amide:sc= -5.18! K(o=-5.2!,f=-1.8) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -158:sc= -1.47 (180deg=-2.53) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.0144 (180deg=-0.219) USER MOD Single : A 93 ASN : amide:sc= 0.256 K(o=0.26,f=-7.8!) USER MOD Single : A 95 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0965) USER MOD Single : A 96 LYS NZ :NH3+ 147:sc= -0.265 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.301 -1.030 -12.325 1.00 0.00 N ATOM 143 CA GLU A 10 -8.595 -2.299 -12.337 1.00 0.00 C ATOM 144 C GLU A 10 -9.545 -3.484 -12.202 1.00 0.00 C ATOM 145 O GLU A 10 -10.492 -3.455 -11.417 1.00 0.00 O ATOM 146 CB GLU A 10 -7.543 -2.322 -11.226 1.00 0.00 C ATOM 147 CG GLU A 10 -8.106 -2.059 -9.837 1.00 0.00 C ATOM 148 CD GLU A 10 -7.055 -1.540 -8.876 1.00 0.00 C ATOM 149 OE1 GLU A 10 -5.851 -1.707 -9.166 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.435 -0.968 -7.833 1.00 0.00 O ATOM 0 HA GLU A 10 -8.100 -2.395 -13.303 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.048 -3.293 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.781 -1.575 -11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.918 -1.336 -9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.533 -2.980 -9.441 1.00 0.00 H new ATOM 157 N LYS A 11 -9.275 -4.525 -12.985 1.00 0.00 N ATOM 158 CA LYS A 11 -10.088 -5.737 -12.979 1.00 0.00 C ATOM 159 C LYS A 11 -9.961 -6.470 -11.639 1.00 0.00 C ATOM 160 O LYS A 11 -9.690 -5.847 -10.614 1.00 0.00 O ATOM 161 CB LYS A 11 -9.664 -6.641 -14.142 1.00 0.00 C ATOM 162 CG LYS A 11 -8.192 -7.018 -14.113 1.00 0.00 C ATOM 163 CD LYS A 11 -7.850 -8.025 -15.203 1.00 0.00 C ATOM 164 CE LYS A 11 -7.088 -9.216 -14.646 1.00 0.00 C ATOM 165 NZ LYS A 11 -5.928 -9.587 -15.505 1.00 0.00 N ATOM 0 H LYS A 11 -8.492 -4.552 -13.638 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.136 -5.465 -13.106 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.264 -7.551 -14.122 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.883 -6.136 -15.083 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.584 -6.122 -14.240 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.942 -7.437 -13.138 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.767 -8.370 -15.681 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.253 -7.538 -15.974 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.735 -8.983 -13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.761 -10.069 -14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.199 -10.048 -14.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.243 -10.241 -16.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.532 -8.731 -15.942 1.00 0.00 H new ATOM 179 N ASP A 12 -10.167 -7.787 -11.644 1.00 0.00 N ATOM 180 CA ASP A 12 -10.078 -8.574 -10.417 1.00 0.00 C ATOM 181 C ASP A 12 -9.208 -9.816 -10.606 1.00 0.00 C ATOM 182 O ASP A 12 -9.362 -10.804 -9.890 1.00 0.00 O ATOM 183 CB ASP A 12 -11.478 -8.984 -9.958 1.00 0.00 C ATOM 184 CG ASP A 12 -12.273 -9.654 -11.062 1.00 0.00 C ATOM 185 OD1 ASP A 12 -12.716 -8.944 -11.991 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.450 -10.890 -11.001 1.00 0.00 O ATOM 0 H ASP A 12 -10.395 -8.327 -12.479 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.610 -7.951 -9.654 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.395 -9.663 -9.110 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.016 -8.103 -9.609 1.00 0.00 H new ATOM 191 N GLY A 13 -8.300 -9.765 -11.577 1.00 0.00 N ATOM 192 CA GLY A 13 -7.427 -10.897 -11.838 1.00 0.00 C ATOM 193 C GLY A 13 -6.044 -10.722 -11.240 1.00 0.00 C ATOM 194 O GLY A 13 -5.852 -9.922 -10.326 1.00 0.00 O ATOM 0 H GLY A 13 -8.153 -8.961 -12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.881 -11.801 -11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.337 -11.040 -12.915 1.00 0.00 H new ATOM 198 N ALA A 14 -5.077 -11.483 -11.749 1.00 0.00 N ATOM 199 CA ALA A 14 -3.707 -11.418 -11.251 1.00 0.00 C ATOM 200 C ALA A 14 -3.019 -10.110 -11.641 1.00 0.00 C ATOM 201 O ALA A 14 -3.636 -9.219 -12.227 1.00 0.00 O ATOM 202 CB ALA A 14 -2.905 -12.602 -11.760 1.00 0.00 C ATOM 0 H ALA A 14 -5.218 -12.152 -12.506 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.753 -11.454 -10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.885 -12.541 -11.381 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.365 -13.528 -11.416 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.888 -12.589 -12.850 1.00 0.00 H new ATOM 208 N VAL A 15 -1.722 -10.029 -11.355 1.00 0.00 N ATOM 209 CA VAL A 15 -0.923 -8.863 -11.719 1.00 0.00 C ATOM 210 C VAL A 15 -0.761 -8.755 -13.233 1.00 0.00 C ATOM 211 O VAL A 15 -0.701 -9.771 -13.926 1.00 0.00 O ATOM 212 CB VAL A 15 0.468 -8.884 -11.063 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.264 -10.094 -11.523 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.221 -7.595 -11.361 1.00 0.00 C ATOM 0 H VAL A 15 -1.201 -10.760 -10.871 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.466 -7.993 -11.349 1.00 0.00 H new ATOM 0 HB VAL A 15 0.335 -8.959 -9.984 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.244 -10.088 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.733 -11.005 -11.248 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.387 -10.058 -12.605 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.203 -7.629 -10.888 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.341 -7.485 -12.439 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.659 -6.747 -10.970 1.00 0.00 H new ATOM 224 N GLU A 16 -0.646 -7.534 -13.740 1.00 0.00 N ATOM 225 CA GLU A 16 -0.438 -7.317 -15.165 1.00 0.00 C ATOM 226 C GLU A 16 0.638 -6.252 -15.374 1.00 0.00 C ATOM 227 O GLU A 16 1.014 -5.551 -14.436 1.00 0.00 O ATOM 228 CB GLU A 16 -1.742 -6.920 -15.872 1.00 0.00 C ATOM 229 CG GLU A 16 -2.618 -8.107 -16.237 1.00 0.00 C ATOM 230 CD GLU A 16 -3.323 -7.924 -17.566 1.00 0.00 C ATOM 231 OE1 GLU A 16 -2.664 -8.079 -18.614 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.536 -7.625 -17.557 1.00 0.00 O ATOM 0 H GLU A 16 -0.693 -6.679 -13.185 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.103 -8.255 -15.608 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.306 -6.247 -15.226 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.500 -6.364 -16.778 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.005 -9.008 -16.276 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.361 -8.260 -15.454 1.00 0.00 H new ATOM 239 N ALA A 17 1.160 -6.188 -16.594 1.00 0.00 N ATOM 240 CA ALA A 17 2.245 -5.260 -16.945 1.00 0.00 C ATOM 241 C ALA A 17 2.354 -4.085 -15.960 1.00 0.00 C ATOM 242 O ALA A 17 3.285 -4.037 -15.155 1.00 0.00 O ATOM 243 CB ALA A 17 2.056 -4.736 -18.360 1.00 0.00 C ATOM 0 H ALA A 17 0.849 -6.773 -17.370 1.00 0.00 H new ATOM 0 HA ALA A 17 3.177 -5.823 -16.885 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.867 -4.050 -18.605 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.062 -5.571 -19.061 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.103 -4.211 -18.429 1.00 0.00 H new ATOM 249 N GLU A 18 1.429 -3.132 -16.029 1.00 0.00 N ATOM 250 CA GLU A 18 1.484 -1.969 -15.135 1.00 0.00 C ATOM 251 C GLU A 18 0.254 -1.880 -14.234 1.00 0.00 C ATOM 252 O GLU A 18 -0.610 -1.025 -14.427 1.00 0.00 O ATOM 253 CB GLU A 18 1.629 -0.678 -15.947 1.00 0.00 C ATOM 254 CG GLU A 18 0.656 -0.568 -17.108 1.00 0.00 C ATOM 255 CD GLU A 18 1.102 0.445 -18.146 1.00 0.00 C ATOM 256 OE1 GLU A 18 0.934 1.658 -17.903 1.00 0.00 O ATOM 257 OE2 GLU A 18 1.624 0.025 -19.201 1.00 0.00 O ATOM 0 H GLU A 18 0.644 -3.136 -16.680 1.00 0.00 H new ATOM 0 HA GLU A 18 2.357 -2.096 -14.494 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.485 0.175 -15.284 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.647 -0.615 -16.332 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.548 -1.544 -17.581 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.326 -0.287 -16.729 1.00 0.00 H new ATOM 264 N ASP A 19 0.176 -2.787 -13.259 1.00 0.00 N ATOM 265 CA ASP A 19 -0.954 -2.839 -12.331 1.00 0.00 C ATOM 266 C ASP A 19 -0.648 -2.192 -10.979 1.00 0.00 C ATOM 267 O ASP A 19 0.400 -1.579 -10.789 1.00 0.00 O ATOM 268 CB ASP A 19 -1.345 -4.291 -12.107 1.00 0.00 C ATOM 269 CG ASP A 19 -1.899 -4.928 -13.356 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.564 -4.451 -14.461 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.667 -5.907 -13.232 1.00 0.00 O ATOM 0 H ASP A 19 0.887 -3.499 -13.091 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.769 -2.273 -12.783 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.474 -4.853 -11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.088 -4.347 -11.312 1.00 0.00 H new ATOM 276 N ARG A 20 -1.584 -2.355 -10.035 1.00 0.00 N ATOM 277 CA ARG A 20 -1.439 -1.815 -8.686 1.00 0.00 C ATOM 278 C ARG A 20 -2.016 -2.795 -7.656 1.00 0.00 C ATOM 279 O ARG A 20 -3.220 -3.050 -7.639 1.00 0.00 O ATOM 280 CB ARG A 20 -2.137 -0.461 -8.576 1.00 0.00 C ATOM 281 CG ARG A 20 -1.300 0.603 -7.887 1.00 0.00 C ATOM 282 CD ARG A 20 -1.040 1.798 -8.792 1.00 0.00 C ATOM 283 NE ARG A 20 -0.634 2.976 -8.029 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.507 4.193 -8.553 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.746 4.398 -9.842 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.138 5.209 -7.784 1.00 0.00 N ATOM 0 H ARG A 20 -2.456 -2.862 -10.188 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.378 -1.676 -8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.398 -0.114 -9.576 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.071 -0.587 -8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.810 0.937 -6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.349 0.171 -7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.263 1.546 -9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.941 2.026 -9.361 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.436 2.859 -7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.029 3.620 -10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.647 5.333 -10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.048 5.057 -6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.040 6.142 -8.184 1.00 0.00 H new ATOM 300 N VAL A 21 -1.151 -3.335 -6.795 1.00 0.00 N ATOM 301 CA VAL A 21 -1.559 -4.279 -5.754 1.00 0.00 C ATOM 302 C VAL A 21 -1.846 -3.576 -4.425 1.00 0.00 C ATOM 303 O VAL A 21 -1.483 -2.415 -4.235 1.00 0.00 O ATOM 304 CB VAL A 21 -0.457 -5.328 -5.500 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.226 -6.204 -6.724 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.831 -4.637 -5.080 1.00 0.00 C ATOM 0 H VAL A 21 -0.152 -3.131 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.468 -4.758 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.789 -5.980 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.557 -6.931 -6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.148 -6.728 -6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.079 -5.581 -7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.604 -5.385 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.155 -3.960 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.658 -4.070 -4.165 1.00 0.00 H new ATOM 316 N THR A 22 -2.447 -4.310 -3.485 1.00 0.00 N ATOM 317 CA THR A 22 -2.715 -3.784 -2.153 1.00 0.00 C ATOM 318 C THR A 22 -2.022 -4.683 -1.135 1.00 0.00 C ATOM 319 O THR A 22 -2.386 -5.848 -0.988 1.00 0.00 O ATOM 320 CB THR A 22 -4.217 -3.732 -1.869 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.859 -2.812 -2.736 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.537 -3.326 -0.444 1.00 0.00 C ATOM 0 H THR A 22 -2.756 -5.272 -3.627 1.00 0.00 H new ATOM 0 HA THR A 22 -2.333 -2.765 -2.085 1.00 0.00 H new ATOM 0 HB THR A 22 -4.582 -4.746 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.819 -2.794 -2.541 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.618 -3.307 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.095 -4.044 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.129 -2.334 -0.248 1.00 0.00 H new ATOM 330 N ILE A 23 -0.999 -4.166 -0.460 1.00 0.00 N ATOM 331 CA ILE A 23 -0.259 -4.979 0.500 1.00 0.00 C ATOM 332 C ILE A 23 -0.078 -4.301 1.861 1.00 0.00 C ATOM 333 O ILE A 23 -0.056 -3.076 1.970 1.00 0.00 O ATOM 334 CB ILE A 23 1.135 -5.353 -0.052 1.00 0.00 C ATOM 335 CG1 ILE A 23 2.040 -4.119 -0.166 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.011 -6.047 -1.399 1.00 0.00 C ATOM 337 CD1 ILE A 23 1.751 -3.251 -1.371 1.00 0.00 C ATOM 0 H ILE A 23 -0.668 -3.206 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.865 -5.873 0.649 1.00 0.00 H new ATOM 0 HB ILE A 23 1.596 -6.043 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.931 -3.517 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.079 -4.446 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.004 -6.302 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.421 -6.957 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.519 -5.381 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.433 -2.401 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.888 -3.835 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.723 -2.891 -1.322 1.00 0.00 H new ATOM 349 N ASP A 24 0.092 -5.134 2.887 1.00 0.00 N ATOM 350 CA ASP A 24 0.327 -4.674 4.256 1.00 0.00 C ATOM 351 C ASP A 24 1.675 -5.226 4.717 1.00 0.00 C ATOM 352 O ASP A 24 1.895 -6.436 4.659 1.00 0.00 O ATOM 353 CB ASP A 24 -0.778 -5.170 5.195 1.00 0.00 C ATOM 354 CG ASP A 24 -1.083 -6.643 5.005 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.621 -7.004 3.937 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.785 -7.435 5.924 1.00 0.00 O ATOM 0 H ASP A 24 0.071 -6.149 2.792 1.00 0.00 H new ATOM 0 HA ASP A 24 0.326 -3.584 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.478 -4.995 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.684 -4.589 5.023 1.00 0.00 H new ATOM 361 N PHE A 25 2.592 -4.362 5.147 1.00 0.00 N ATOM 362 CA PHE A 25 3.910 -4.841 5.566 1.00 0.00 C ATOM 363 C PHE A 25 4.464 -4.092 6.771 1.00 0.00 C ATOM 364 O PHE A 25 3.939 -3.061 7.182 1.00 0.00 O ATOM 365 CB PHE A 25 4.901 -4.737 4.404 1.00 0.00 C ATOM 366 CG PHE A 25 5.265 -3.327 4.031 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.122 -2.580 4.827 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.733 -2.742 2.892 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.439 -1.274 4.490 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.043 -1.439 2.561 1.00 0.00 C ATOM 371 CZ PHE A 25 5.894 -0.706 3.357 1.00 0.00 C ATOM 0 H PHE A 25 2.455 -3.353 5.214 1.00 0.00 H new ATOM 0 HA PHE A 25 3.780 -5.881 5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.810 -5.278 4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.475 -5.234 3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.546 -3.021 5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.070 -3.312 2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.111 -0.702 5.113 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.617 -0.993 1.675 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.135 0.314 3.095 1.00 0.00 H new ATOM 381 N THR A 26 5.542 -4.641 7.328 1.00 0.00 N ATOM 382 CA THR A 26 6.202 -4.050 8.491 1.00 0.00 C ATOM 383 C THR A 26 7.696 -4.359 8.486 1.00 0.00 C ATOM 384 O THR A 26 8.098 -5.518 8.571 1.00 0.00 O ATOM 385 CB THR A 26 5.577 -4.578 9.782 1.00 0.00 C ATOM 386 OG1 THR A 26 4.178 -4.354 9.790 1.00 0.00 O ATOM 387 CG2 THR A 26 6.154 -3.942 11.030 1.00 0.00 C ATOM 0 H THR A 26 5.979 -5.499 6.991 1.00 0.00 H new ATOM 0 HA THR A 26 6.067 -2.970 8.439 1.00 0.00 H new ATOM 0 HB THR A 26 5.805 -5.644 9.800 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.796 -4.700 10.623 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.667 -4.361 11.910 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.225 -4.141 11.078 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.986 -2.865 11.001 1.00 0.00 H new ATOM 395 N GLY A 27 8.517 -3.316 8.384 1.00 0.00 N ATOM 396 CA GLY A 27 9.956 -3.511 8.370 1.00 0.00 C ATOM 397 C GLY A 27 10.731 -2.249 8.698 1.00 0.00 C ATOM 398 O GLY A 27 10.198 -1.146 8.624 1.00 0.00 O ATOM 0 H GLY A 27 8.213 -2.345 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.218 -4.288 9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.258 -3.871 7.386 1.00 0.00 H new ATOM 402 N SER A 28 11.994 -2.419 9.067 1.00 0.00 N ATOM 403 CA SER A 28 12.859 -1.294 9.417 1.00 0.00 C ATOM 404 C SER A 28 13.897 -1.043 8.331 1.00 0.00 C ATOM 405 O SER A 28 14.004 -1.806 7.372 1.00 0.00 O ATOM 406 CB SER A 28 13.574 -1.585 10.739 1.00 0.00 C ATOM 407 OG SER A 28 12.956 -2.654 11.434 1.00 0.00 O ATOM 0 H SER A 28 12.447 -3.331 9.133 1.00 0.00 H new ATOM 0 HA SER A 28 12.236 -0.405 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.618 -1.830 10.544 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.568 -0.691 11.363 1.00 0.00 H new ATOM 0 HG SER A 28 13.435 -2.819 12.273 1.00 0.00 H new ATOM 413 N VAL A 29 14.669 0.025 8.503 1.00 0.00 N ATOM 414 CA VAL A 29 15.716 0.378 7.553 1.00 0.00 C ATOM 415 C VAL A 29 17.103 0.151 8.159 1.00 0.00 C ATOM 416 O VAL A 29 17.766 -0.835 7.838 1.00 0.00 O ATOM 417 CB VAL A 29 15.564 1.836 7.030 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.252 2.817 8.154 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.802 2.280 6.255 1.00 0.00 C ATOM 0 H VAL A 29 14.588 0.663 9.295 1.00 0.00 H new ATOM 0 HA VAL A 29 15.607 -0.282 6.693 1.00 0.00 H new ATOM 0 HB VAL A 29 14.714 1.839 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.154 3.822 7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.318 2.531 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.060 2.801 8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.664 3.302 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.675 2.235 6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.953 1.620 5.401 1.00 0.00 H new ATOM 429 N ASP A 30 17.535 1.043 9.039 1.00 0.00 N ATOM 430 CA ASP A 30 18.833 0.905 9.682 1.00 0.00 C ATOM 431 C ASP A 30 18.679 0.228 11.039 1.00 0.00 C ATOM 432 O ASP A 30 19.385 0.559 11.993 1.00 0.00 O ATOM 433 CB ASP A 30 19.496 2.274 9.848 1.00 0.00 C ATOM 434 CG ASP A 30 21.008 2.194 9.803 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.537 1.270 9.148 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.668 3.056 10.422 1.00 0.00 O ATOM 0 H ASP A 30 17.007 1.868 9.323 1.00 0.00 H new ATOM 0 HA ASP A 30 19.469 0.285 9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.147 2.941 9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.186 2.712 10.797 1.00 0.00 H new ATOM 441 N GLY A 31 17.745 -0.716 11.121 1.00 0.00 N ATOM 442 CA GLY A 31 17.505 -1.414 12.369 1.00 0.00 C ATOM 443 C GLY A 31 16.363 -0.805 13.167 1.00 0.00 C ATOM 444 O GLY A 31 15.942 -1.363 14.181 1.00 0.00 O ATOM 0 H GLY A 31 17.151 -1.009 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.280 -2.460 12.159 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.414 -1.398 12.971 1.00 0.00 H new ATOM 448 N GLU A 32 15.862 0.340 12.708 1.00 0.00 N ATOM 449 CA GLU A 32 14.764 1.024 13.384 1.00 0.00 C ATOM 450 C GLU A 32 13.681 1.426 12.386 1.00 0.00 C ATOM 451 O GLU A 32 13.899 2.279 11.528 1.00 0.00 O ATOM 452 CB GLU A 32 15.282 2.258 14.122 1.00 0.00 C ATOM 453 CG GLU A 32 16.467 1.969 15.028 1.00 0.00 C ATOM 454 CD GLU A 32 17.437 3.132 15.112 1.00 0.00 C ATOM 455 OE1 GLU A 32 17.249 4.000 15.993 1.00 0.00 O ATOM 456 OE2 GLU A 32 18.382 3.177 14.298 1.00 0.00 O ATOM 0 H GLU A 32 16.200 0.813 11.870 1.00 0.00 H new ATOM 0 HA GLU A 32 14.328 0.336 14.108 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.569 3.015 13.392 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.474 2.681 14.718 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.105 1.730 16.028 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.993 1.088 14.661 1.00 0.00 H new ATOM 463 N GLU A 33 12.516 0.792 12.502 1.00 0.00 N ATOM 464 CA GLU A 33 11.398 1.060 11.614 1.00 0.00 C ATOM 465 C GLU A 33 11.007 2.522 11.664 1.00 0.00 C ATOM 466 O GLU A 33 10.665 3.055 12.719 1.00 0.00 O ATOM 467 CB GLU A 33 10.205 0.175 11.983 1.00 0.00 C ATOM 468 CG GLU A 33 9.743 0.329 13.422 1.00 0.00 C ATOM 469 CD GLU A 33 8.963 -0.874 13.915 1.00 0.00 C ATOM 470 OE1 GLU A 33 9.383 -2.014 13.622 1.00 0.00 O ATOM 471 OE2 GLU A 33 7.932 -0.676 14.591 1.00 0.00 O ATOM 0 H GLU A 33 12.326 0.084 13.211 1.00 0.00 H new ATOM 0 HA GLU A 33 11.707 0.827 10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.373 0.408 11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.471 -0.867 11.807 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.610 0.483 14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.121 1.220 13.507 1.00 0.00 H new ATOM 478 N PHE A 34 11.099 3.173 10.517 1.00 0.00 N ATOM 479 CA PHE A 34 10.800 4.603 10.392 1.00 0.00 C ATOM 480 C PHE A 34 9.302 4.883 10.240 1.00 0.00 C ATOM 481 O PHE A 34 8.474 4.267 10.912 1.00 0.00 O ATOM 482 CB PHE A 34 11.602 5.179 9.208 1.00 0.00 C ATOM 483 CG PHE A 34 11.107 4.787 7.831 1.00 0.00 C ATOM 484 CD1 PHE A 34 10.770 3.475 7.524 1.00 0.00 C ATOM 485 CD2 PHE A 34 10.985 5.749 6.836 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.326 3.135 6.261 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.539 5.411 5.573 1.00 0.00 C ATOM 488 CZ PHE A 34 10.210 4.103 5.285 1.00 0.00 C ATOM 0 H PHE A 34 11.382 2.732 9.642 1.00 0.00 H new ATOM 0 HA PHE A 34 11.100 5.098 11.316 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.594 6.266 9.282 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.640 4.860 9.306 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.856 2.711 8.282 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.242 6.775 7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.069 2.110 6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.448 6.171 4.811 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.862 3.837 4.298 1.00 0.00 H new ATOM 498 N GLU A 35 8.964 5.794 9.340 1.00 0.00 N ATOM 499 CA GLU A 35 7.572 6.143 9.066 1.00 0.00 C ATOM 500 C GLU A 35 6.873 4.993 8.352 1.00 0.00 C ATOM 501 O GLU A 35 5.840 4.498 8.804 1.00 0.00 O ATOM 502 CB GLU A 35 7.498 7.411 8.209 1.00 0.00 C ATOM 503 CG GLU A 35 7.681 8.695 9.000 1.00 0.00 C ATOM 504 CD GLU A 35 6.460 9.595 8.947 1.00 0.00 C ATOM 505 OE1 GLU A 35 5.331 9.063 8.939 1.00 0.00 O ATOM 506 OE2 GLU A 35 6.635 10.831 8.912 1.00 0.00 O ATOM 0 H GLU A 35 9.641 6.312 8.780 1.00 0.00 H new ATOM 0 HA GLU A 35 7.069 6.331 10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.263 7.360 7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.533 7.441 7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.901 8.449 10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.543 9.236 8.611 1.00 0.00 H new ATOM 513 N GLY A 36 7.459 4.568 7.232 1.00 0.00 N ATOM 514 CA GLY A 36 6.897 3.470 6.467 1.00 0.00 C ATOM 515 C GLY A 36 7.260 2.119 7.047 1.00 0.00 C ATOM 516 O GLY A 36 7.060 1.089 6.404 1.00 0.00 O ATOM 0 H GLY A 36 8.313 4.967 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.812 3.570 6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.252 3.528 5.438 1.00 0.00 H new ATOM 520 N GLY A 37 7.791 2.116 8.267 1.00 0.00 N ATOM 521 CA GLY A 37 8.165 0.876 8.906 1.00 0.00 C ATOM 522 C GLY A 37 6.992 -0.072 9.083 1.00 0.00 C ATOM 523 O GLY A 37 7.178 -1.240 9.421 1.00 0.00 O ATOM 0 H GLY A 37 7.967 2.954 8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.937 0.385 8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.602 1.092 9.881 1.00 0.00 H new ATOM 527 N LYS A 38 5.783 0.428 8.840 1.00 0.00 N ATOM 528 CA LYS A 38 4.582 -0.385 8.959 1.00 0.00 C ATOM 529 C LYS A 38 3.485 0.147 8.044 1.00 0.00 C ATOM 530 O LYS A 38 3.095 1.311 8.129 1.00 0.00 O ATOM 531 CB LYS A 38 4.093 -0.416 10.410 1.00 0.00 C ATOM 532 CG LYS A 38 3.857 0.960 11.006 1.00 0.00 C ATOM 533 CD LYS A 38 2.581 1.003 11.833 1.00 0.00 C ATOM 534 CE LYS A 38 1.612 2.053 11.312 1.00 0.00 C ATOM 535 NZ LYS A 38 0.193 1.651 11.510 1.00 0.00 N ATOM 0 H LYS A 38 5.612 1.394 8.559 1.00 0.00 H new ATOM 0 HA LYS A 38 4.827 -1.403 8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.166 -0.987 10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.826 -0.945 11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.706 1.236 11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.797 1.698 10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.102 0.024 11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.828 1.218 12.873 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.795 2.999 11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.796 2.221 10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.433 2.395 11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.010 0.761 11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.009 1.515 12.525 1.00 0.00 H new ATOM 549 N ALA A 39 2.999 -0.717 7.166 1.00 0.00 N ATOM 550 CA ALA A 39 1.949 -0.352 6.227 1.00 0.00 C ATOM 551 C ALA A 39 0.862 -1.415 6.200 1.00 0.00 C ATOM 552 O ALA A 39 1.137 -2.603 6.366 1.00 0.00 O ATOM 553 CB ALA A 39 2.529 -0.151 4.833 1.00 0.00 C ATOM 0 H ALA A 39 3.318 -1.682 7.084 1.00 0.00 H new ATOM 0 HA ALA A 39 1.504 0.587 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.731 0.122 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.273 0.645 4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.999 -1.076 4.498 1.00 0.00 H new ATOM 559 N SER A 40 -0.377 -0.983 6.001 1.00 0.00 N ATOM 560 CA SER A 40 -1.506 -1.902 5.962 1.00 0.00 C ATOM 561 C SER A 40 -2.123 -1.949 4.572 1.00 0.00 C ATOM 562 O SER A 40 -2.140 -2.992 3.922 1.00 0.00 O ATOM 563 CB SER A 40 -2.560 -1.485 6.990 1.00 0.00 C ATOM 564 OG SER A 40 -2.888 -2.560 7.853 1.00 0.00 O ATOM 0 H SER A 40 -0.625 -0.003 5.864 1.00 0.00 H new ATOM 0 HA SER A 40 -1.141 -2.899 6.208 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.187 -0.645 7.576 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.457 -1.141 6.476 1.00 0.00 H new ATOM 0 HG SER A 40 -3.562 -2.266 8.501 1.00 0.00 H new ATOM 570 N ASP A 41 -2.582 -0.803 4.096 1.00 0.00 N ATOM 571 CA ASP A 41 -3.141 -0.685 2.768 1.00 0.00 C ATOM 572 C ASP A 41 -2.115 -0.031 1.862 1.00 0.00 C ATOM 573 O ASP A 41 -2.288 1.117 1.452 1.00 0.00 O ATOM 574 CB ASP A 41 -4.431 0.140 2.794 1.00 0.00 C ATOM 575 CG ASP A 41 -4.263 1.448 3.542 1.00 0.00 C ATOM 576 OD1 ASP A 41 -3.921 1.408 4.742 1.00 0.00 O ATOM 577 OD2 ASP A 41 -4.473 2.514 2.925 1.00 0.00 O ATOM 0 H ASP A 41 -2.575 0.070 4.624 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.388 -1.677 2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.748 0.347 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.224 -0.444 3.262 1.00 0.00 H new ATOM 582 N PHE A 42 -1.055 -0.748 1.541 1.00 0.00 N ATOM 583 CA PHE A 42 -0.026 -0.195 0.669 1.00 0.00 C ATOM 584 C PHE A 42 -0.382 -0.459 -0.781 1.00 0.00 C ATOM 585 O PHE A 42 -0.416 -1.606 -1.226 1.00 0.00 O ATOM 586 CB PHE A 42 1.356 -0.778 0.985 1.00 0.00 C ATOM 587 CG PHE A 42 2.466 -0.197 0.140 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.398 1.116 -0.308 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.574 -0.959 -0.207 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.410 1.654 -1.081 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.587 -0.422 -0.980 1.00 0.00 C ATOM 592 CZ PHE A 42 4.504 0.884 -1.416 1.00 0.00 C ATOM 0 H PHE A 42 -0.881 -1.700 1.863 1.00 0.00 H new ATOM 0 HA PHE A 42 0.019 0.880 0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.583 -0.604 2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.327 -1.858 0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.544 1.724 -0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.645 -1.982 0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.344 2.677 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.443 -1.025 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.295 1.303 -2.019 1.00 0.00 H new ATOM 602 N VAL A 43 -0.652 0.607 -1.518 1.00 0.00 N ATOM 603 CA VAL A 43 -1.004 0.486 -2.915 1.00 0.00 C ATOM 604 C VAL A 43 0.245 0.536 -3.780 1.00 0.00 C ATOM 605 O VAL A 43 0.739 1.611 -4.116 1.00 0.00 O ATOM 606 CB VAL A 43 -1.970 1.603 -3.338 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.422 1.402 -4.775 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.160 1.660 -2.393 1.00 0.00 C ATOM 0 H VAL A 43 -0.633 1.565 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.501 -0.474 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.446 2.557 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.106 2.203 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.554 1.417 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.931 0.442 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.835 2.456 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.688 0.707 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.811 1.858 -1.380 1.00 0.00 H new ATOM 618 N LEU A 44 0.756 -0.637 -4.125 1.00 0.00 N ATOM 619 CA LEU A 44 1.955 -0.731 -4.940 1.00 0.00 C ATOM 620 C LEU A 44 1.610 -0.763 -6.418 1.00 0.00 C ATOM 621 O LEU A 44 0.750 -1.528 -6.848 1.00 0.00 O ATOM 622 CB LEU A 44 2.753 -1.981 -4.568 1.00 0.00 C ATOM 623 CG LEU A 44 4.220 -1.731 -4.220 1.00 0.00 C ATOM 624 CD1 LEU A 44 4.986 -3.039 -4.181 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.857 -0.773 -5.221 1.00 0.00 C ATOM 0 H LEU A 44 0.358 -1.536 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 44 2.562 0.154 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.270 -2.462 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.707 -2.684 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 44 4.263 -1.273 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.029 -2.843 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.550 -3.694 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.931 -3.522 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.901 -0.609 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.801 -1.202 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.325 0.178 -5.204 1.00 0.00 H new ATOM 637 N ALA A 45 2.304 0.060 -7.192 1.00 0.00 N ATOM 638 CA ALA A 45 2.088 0.118 -8.630 1.00 0.00 C ATOM 639 C ALA A 45 3.104 -0.762 -9.349 1.00 0.00 C ATOM 640 O ALA A 45 4.277 -0.404 -9.465 1.00 0.00 O ATOM 641 CB ALA A 45 2.179 1.554 -9.119 1.00 0.00 C ATOM 0 H ALA A 45 3.022 0.697 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 45 1.089 -0.256 -8.852 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.015 1.583 -10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.420 2.157 -8.621 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.167 1.954 -8.891 1.00 0.00 H new ATOM 647 N MET A 46 2.654 -1.920 -9.817 1.00 0.00 N ATOM 648 CA MET A 46 3.527 -2.858 -10.507 1.00 0.00 C ATOM 649 C MET A 46 3.971 -2.325 -11.863 1.00 0.00 C ATOM 650 O MET A 46 3.357 -2.615 -12.888 1.00 0.00 O ATOM 651 CB MET A 46 2.829 -4.207 -10.671 1.00 0.00 C ATOM 652 CG MET A 46 3.471 -5.313 -9.855 1.00 0.00 C ATOM 653 SD MET A 46 4.822 -6.122 -10.733 1.00 0.00 S ATOM 654 CE MET A 46 6.203 -5.083 -10.262 1.00 0.00 C ATOM 0 H MET A 46 1.687 -2.231 -9.730 1.00 0.00 H new ATOM 0 HA MET A 46 4.420 -2.988 -9.896 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.784 -4.107 -10.377 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.838 -4.488 -11.724 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.846 -4.899 -8.919 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.715 -6.054 -9.595 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.135 -5.552 -10.578 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.106 -4.109 -10.742 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.210 -4.955 -9.180 1.00 0.00 H new ATOM 664 N GLY A 47 5.056 -1.557 -11.855 1.00 0.00 N ATOM 665 CA GLY A 47 5.584 -0.999 -13.086 1.00 0.00 C ATOM 666 C GLY A 47 5.194 0.452 -13.283 1.00 0.00 C ATOM 667 O GLY A 47 4.626 0.816 -14.312 1.00 0.00 O ATOM 0 H GLY A 47 5.580 -1.311 -11.015 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.671 -1.082 -13.081 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.223 -1.586 -13.931 1.00 0.00 H new ATOM 671 N GLN A 48 5.503 1.277 -12.294 1.00 0.00 N ATOM 672 CA GLN A 48 5.191 2.698 -12.351 1.00 0.00 C ATOM 673 C GLN A 48 6.412 3.516 -11.953 1.00 0.00 C ATOM 674 O GLN A 48 7.010 4.204 -12.778 1.00 0.00 O ATOM 675 CB GLN A 48 4.019 3.014 -11.422 1.00 0.00 C ATOM 676 CG GLN A 48 3.058 4.048 -11.983 1.00 0.00 C ATOM 677 CD GLN A 48 2.964 5.291 -11.120 1.00 0.00 C ATOM 678 OE1 GLN A 48 3.462 5.319 -9.995 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.323 6.328 -11.645 1.00 0.00 N ATOM 0 H GLN A 48 5.973 0.985 -11.437 1.00 0.00 H new ATOM 0 HA GLN A 48 4.911 2.959 -13.372 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.471 2.094 -11.217 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.408 3.372 -10.469 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.380 4.331 -12.985 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.068 3.603 -12.080 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.925 6.261 -12.582 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.228 7.192 -11.112 1.00 0.00 H new ATOM 688 N GLY A 49 6.783 3.418 -10.682 1.00 0.00 N ATOM 689 CA GLY A 49 7.943 4.134 -10.190 1.00 0.00 C ATOM 690 C GLY A 49 9.157 3.234 -10.095 1.00 0.00 C ATOM 691 O GLY A 49 9.640 2.950 -9.002 1.00 0.00 O ATOM 0 H GLY A 49 6.300 2.854 -9.983 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.162 4.972 -10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.723 4.553 -9.208 1.00 0.00 H new ATOM 695 N ARG A 50 9.636 2.771 -11.248 1.00 0.00 N ATOM 696 CA ARG A 50 10.795 1.880 -11.317 1.00 0.00 C ATOM 697 C ARG A 50 10.784 0.842 -10.192 1.00 0.00 C ATOM 698 O ARG A 50 11.633 0.859 -9.301 1.00 0.00 O ATOM 699 CB ARG A 50 12.101 2.687 -11.298 1.00 0.00 C ATOM 700 CG ARG A 50 12.440 3.318 -9.954 1.00 0.00 C ATOM 701 CD ARG A 50 13.834 2.926 -9.492 1.00 0.00 C ATOM 702 NE ARG A 50 14.834 3.110 -10.545 1.00 0.00 N ATOM 703 CZ ARG A 50 15.348 2.121 -11.275 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.955 0.867 -11.085 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.255 2.387 -12.203 1.00 0.00 N ATOM 0 H ARG A 50 9.235 3.001 -12.157 1.00 0.00 H new ATOM 0 HA ARG A 50 10.734 1.338 -12.261 1.00 0.00 H new ATOM 0 HB2 ARG A 50 12.921 2.032 -11.594 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.036 3.475 -12.048 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.373 4.403 -10.033 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.707 3.007 -9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.109 3.524 -8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.830 1.883 -9.174 1.00 0.00 H new ATOM 0 HE ARG A 50 15.159 4.059 -10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.254 0.654 -10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.354 0.116 -11.649 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.559 3.348 -12.358 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.649 1.631 -12.762 1.00 0.00 H new ATOM 719 N MET A 51 9.813 -0.068 -10.245 1.00 0.00 N ATOM 720 CA MET A 51 9.689 -1.116 -9.236 1.00 0.00 C ATOM 721 C MET A 51 11.024 -1.815 -9.003 1.00 0.00 C ATOM 722 O MET A 51 11.543 -2.500 -9.884 1.00 0.00 O ATOM 723 CB MET A 51 8.632 -2.141 -9.658 1.00 0.00 C ATOM 724 CG MET A 51 7.975 -2.854 -8.486 1.00 0.00 C ATOM 725 SD MET A 51 6.365 -2.160 -8.063 1.00 0.00 S ATOM 726 CE MET A 51 6.817 -0.472 -7.677 1.00 0.00 C ATOM 0 H MET A 51 9.102 -0.100 -10.975 1.00 0.00 H new ATOM 0 HA MET A 51 9.379 -0.646 -8.303 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.863 -1.638 -10.244 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.096 -2.882 -10.310 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.858 -3.910 -8.728 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.631 -2.796 -7.617 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.918 0.106 -7.465 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.470 -0.461 -6.804 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.339 -0.032 -8.527 1.00 0.00 H new ATOM 736 N ILE A 52 11.572 -1.644 -7.804 1.00 0.00 N ATOM 737 CA ILE A 52 12.846 -2.262 -7.451 1.00 0.00 C ATOM 738 C ILE A 52 12.699 -3.776 -7.348 1.00 0.00 C ATOM 739 O ILE A 52 11.586 -4.289 -7.222 1.00 0.00 O ATOM 740 CB ILE A 52 13.413 -1.724 -6.112 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.290 -1.314 -5.156 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.347 -0.551 -6.368 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.765 -1.049 -3.744 1.00 0.00 C ATOM 0 H ILE A 52 11.155 -1.083 -7.061 1.00 0.00 H new ATOM 0 HA ILE A 52 13.544 -2.005 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 52 13.977 -2.528 -5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.805 -0.417 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.536 -2.101 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.738 -0.183 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.174 -0.875 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.800 0.247 -6.869 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.916 -0.763 -3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.224 -1.951 -3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.497 -0.241 -3.752 1.00 0.00 H new ATOM 755 N PRO A 53 13.819 -4.516 -7.390 1.00 0.00 N ATOM 756 CA PRO A 53 13.794 -5.978 -7.288 1.00 0.00 C ATOM 757 C PRO A 53 13.165 -6.441 -5.978 1.00 0.00 C ATOM 758 O PRO A 53 12.736 -7.586 -5.855 1.00 0.00 O ATOM 759 CB PRO A 53 15.274 -6.378 -7.343 1.00 0.00 C ATOM 760 CG PRO A 53 16.028 -5.135 -7.016 1.00 0.00 C ATOM 761 CD PRO A 53 15.190 -3.998 -7.523 1.00 0.00 C ATOM 0 HA PRO A 53 13.197 -6.432 -8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.494 -7.171 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.544 -6.754 -8.330 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.193 -5.050 -5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.010 -5.138 -7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.339 -3.093 -6.935 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.429 -3.749 -8.557 1.00 0.00 H new ATOM 769 N GLY A 54 13.115 -5.536 -5.003 1.00 0.00 N ATOM 770 CA GLY A 54 12.539 -5.859 -3.714 1.00 0.00 C ATOM 771 C GLY A 54 11.041 -6.057 -3.781 1.00 0.00 C ATOM 772 O GLY A 54 10.535 -7.141 -3.485 1.00 0.00 O ATOM 0 H GLY A 54 13.465 -4.582 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.005 -6.766 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.765 -5.060 -3.008 1.00 0.00 H new ATOM 776 N PHE A 55 10.325 -5.008 -4.172 1.00 0.00 N ATOM 777 CA PHE A 55 8.881 -5.080 -4.275 1.00 0.00 C ATOM 778 C PHE A 55 8.476 -5.938 -5.462 1.00 0.00 C ATOM 779 O PHE A 55 7.587 -6.783 -5.362 1.00 0.00 O ATOM 780 CB PHE A 55 8.280 -3.683 -4.433 1.00 0.00 C ATOM 781 CG PHE A 55 8.287 -2.847 -3.178 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.439 -3.139 -2.117 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.139 -1.759 -3.068 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.444 -2.364 -0.978 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.149 -0.981 -1.928 1.00 0.00 C ATOM 786 CZ PHE A 55 8.301 -1.283 -0.881 1.00 0.00 C ATOM 0 H PHE A 55 10.724 -4.103 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 55 8.501 -5.530 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.830 -3.152 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.252 -3.782 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.768 -3.983 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.803 -1.517 -3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.779 -2.601 -0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.819 -0.137 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.307 -0.676 0.012 1.00 0.00 H new ATOM 796 N GLU A 56 9.141 -5.712 -6.589 1.00 0.00 N ATOM 797 CA GLU A 56 8.865 -6.458 -7.808 1.00 0.00 C ATOM 798 C GLU A 56 8.924 -7.961 -7.555 1.00 0.00 C ATOM 799 O GLU A 56 8.331 -8.744 -8.292 1.00 0.00 O ATOM 800 CB GLU A 56 9.868 -6.071 -8.895 1.00 0.00 C ATOM 801 CG GLU A 56 9.390 -6.377 -10.305 1.00 0.00 C ATOM 802 CD GLU A 56 9.804 -5.312 -11.303 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.022 -5.082 -11.453 1.00 0.00 O ATOM 804 OE2 GLU A 56 8.911 -4.710 -11.932 1.00 0.00 O ATOM 0 H GLU A 56 9.879 -5.014 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 56 7.858 -6.208 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.082 -5.005 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.805 -6.598 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.791 -7.341 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.304 -6.468 -10.305 1.00 0.00 H new ATOM 811 N ASP A 57 9.647 -8.356 -6.512 1.00 0.00 N ATOM 812 CA ASP A 57 9.784 -9.767 -6.170 1.00 0.00 C ATOM 813 C ASP A 57 8.562 -10.277 -5.407 1.00 0.00 C ATOM 814 O ASP A 57 7.739 -11.004 -5.960 1.00 0.00 O ATOM 815 CB ASP A 57 11.054 -9.992 -5.345 1.00 0.00 C ATOM 816 CG ASP A 57 11.285 -11.454 -5.024 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.283 -12.276 -5.964 1.00 0.00 O ATOM 818 OD2 ASP A 57 11.469 -11.778 -3.832 1.00 0.00 O ATOM 0 H ASP A 57 10.146 -7.720 -5.890 1.00 0.00 H new ATOM 0 HA ASP A 57 9.858 -10.331 -7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.913 -9.603 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.985 -9.426 -4.416 1.00 0.00 H new ATOM 823 N GLY A 58 8.462 -9.919 -4.129 1.00 0.00 N ATOM 824 CA GLY A 58 7.348 -10.379 -3.318 1.00 0.00 C ATOM 825 C GLY A 58 6.022 -9.862 -3.819 1.00 0.00 C ATOM 826 O GLY A 58 5.114 -10.637 -4.119 1.00 0.00 O ATOM 0 H GLY A 58 9.130 -9.321 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.332 -11.469 -3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.495 -10.057 -2.287 1.00 0.00 H new ATOM 830 N ILE A 59 5.917 -8.545 -3.909 1.00 0.00 N ATOM 831 CA ILE A 59 4.720 -7.883 -4.372 1.00 0.00 C ATOM 832 C ILE A 59 4.610 -7.939 -5.885 1.00 0.00 C ATOM 833 O ILE A 59 4.143 -7.006 -6.538 1.00 0.00 O ATOM 834 CB ILE A 59 4.724 -6.428 -3.879 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.119 -6.388 -2.401 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.369 -5.782 -4.089 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.608 -6.349 -2.167 1.00 0.00 C ATOM 0 H ILE A 59 6.671 -7.905 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 59 3.851 -8.400 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 59 5.454 -5.862 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.665 -5.512 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.705 -7.264 -1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.397 -4.753 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.122 -5.791 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.612 -6.337 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.807 -6.322 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.068 -7.238 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.027 -5.459 -2.637 1.00 0.00 H new ATOM 849 N LYS A 60 4.981 -9.097 -6.405 1.00 0.00 N ATOM 850 CA LYS A 60 4.856 -9.353 -7.830 1.00 0.00 C ATOM 851 C LYS A 60 3.423 -8.981 -8.208 1.00 0.00 C ATOM 852 O LYS A 60 3.170 -8.230 -9.148 1.00 0.00 O ATOM 853 CB LYS A 60 5.133 -10.822 -8.161 1.00 0.00 C ATOM 854 CG LYS A 60 6.521 -11.060 -8.737 1.00 0.00 C ATOM 855 CD LYS A 60 6.485 -11.962 -9.961 1.00 0.00 C ATOM 856 CE LYS A 60 7.071 -11.266 -11.181 1.00 0.00 C ATOM 857 NZ LYS A 60 7.554 -12.238 -12.201 1.00 0.00 N ATOM 0 H LYS A 60 5.369 -9.871 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 60 5.584 -8.767 -8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.016 -11.419 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.387 -11.173 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.971 -10.104 -9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.157 -11.509 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.044 -12.876 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.456 -12.257 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.316 -10.619 -11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.897 -10.626 -10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.945 -11.722 -13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.293 -12.839 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.761 -12.833 -12.517 1.00 0.00 H new ATOM 871 N GLY A 61 2.502 -9.567 -7.450 1.00 0.00 N ATOM 872 CA GLY A 61 1.082 -9.377 -7.661 1.00 0.00 C ATOM 873 C GLY A 61 0.472 -10.646 -8.195 1.00 0.00 C ATOM 874 O GLY A 61 -0.382 -10.633 -9.081 1.00 0.00 O ATOM 0 H GLY A 61 2.726 -10.187 -6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.600 -9.097 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.915 -8.559 -8.362 1.00 0.00 H new ATOM 878 N HIS A 62 0.940 -11.755 -7.638 1.00 0.00 N ATOM 879 CA HIS A 62 0.473 -13.080 -8.049 1.00 0.00 C ATOM 880 C HIS A 62 -0.047 -13.899 -6.871 1.00 0.00 C ATOM 881 O HIS A 62 -0.185 -15.118 -6.969 1.00 0.00 O ATOM 882 CB HIS A 62 1.595 -13.849 -8.757 1.00 0.00 C ATOM 883 CG HIS A 62 2.814 -14.087 -7.911 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.744 -15.062 -8.200 1.00 0.00 N ATOM 885 CD2 HIS A 62 3.264 -13.467 -6.789 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.709 -15.035 -7.298 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.443 -14.076 -6.431 1.00 0.00 N ATOM 0 H HIS A 62 1.643 -11.767 -6.899 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.356 -12.925 -8.739 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.205 -14.811 -9.090 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.889 -13.298 -9.650 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.784 -12.648 -6.274 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.570 -15.687 -7.274 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.019 -13.827 -5.626 1.00 0.00 H new ATOM 895 N LYS A 63 -0.342 -13.233 -5.764 1.00 0.00 N ATOM 896 CA LYS A 63 -0.852 -13.918 -4.583 1.00 0.00 C ATOM 897 C LYS A 63 -1.831 -13.038 -3.812 1.00 0.00 C ATOM 898 O LYS A 63 -1.473 -12.428 -2.805 1.00 0.00 O ATOM 899 CB LYS A 63 0.299 -14.345 -3.676 1.00 0.00 C ATOM 900 CG LYS A 63 1.166 -15.443 -4.266 1.00 0.00 C ATOM 901 CD LYS A 63 0.455 -16.785 -4.224 1.00 0.00 C ATOM 902 CE LYS A 63 1.294 -17.879 -4.863 1.00 0.00 C ATOM 903 NZ LYS A 63 0.724 -19.232 -4.615 1.00 0.00 N ATOM 0 H LYS A 63 -0.238 -12.224 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.387 -14.806 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.923 -13.477 -3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.108 -14.687 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.420 -15.195 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.103 -15.507 -3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.236 -17.050 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.501 -16.708 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.361 -17.705 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.309 -17.835 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.325 -19.950 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.683 -19.409 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.235 -19.283 -5.013 1.00 0.00 H new ATOM 917 N ALA A 64 -3.073 -12.996 -4.276 1.00 0.00 N ATOM 918 CA ALA A 64 -4.110 -12.213 -3.617 1.00 0.00 C ATOM 919 C ALA A 64 -4.328 -12.677 -2.176 1.00 0.00 C ATOM 920 O ALA A 64 -5.118 -13.590 -1.927 1.00 0.00 O ATOM 921 CB ALA A 64 -5.408 -12.292 -4.405 1.00 0.00 C ATOM 0 H ALA A 64 -3.387 -13.496 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.779 -11.175 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.175 -11.703 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.249 -11.899 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.732 -13.331 -4.469 1.00 0.00 H new ATOM 927 N GLY A 65 -3.643 -12.042 -1.228 1.00 0.00 N ATOM 928 CA GLY A 65 -3.800 -12.410 0.172 1.00 0.00 C ATOM 929 C GLY A 65 -2.637 -13.227 0.707 1.00 0.00 C ATOM 930 O GLY A 65 -2.833 -14.164 1.482 1.00 0.00 O ATOM 0 H GLY A 65 -2.985 -11.282 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.906 -11.505 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.722 -12.980 0.291 1.00 0.00 H new ATOM 934 N GLU A 66 -1.426 -12.885 0.280 1.00 0.00 N ATOM 935 CA GLU A 66 -0.228 -13.604 0.709 1.00 0.00 C ATOM 936 C GLU A 66 0.498 -12.896 1.844 1.00 0.00 C ATOM 937 O GLU A 66 0.218 -11.740 2.153 1.00 0.00 O ATOM 938 CB GLU A 66 0.731 -13.763 -0.467 1.00 0.00 C ATOM 939 CG GLU A 66 1.439 -15.105 -0.493 1.00 0.00 C ATOM 940 CD GLU A 66 2.920 -14.979 -0.791 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.265 -14.420 -1.854 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.733 -15.439 0.038 1.00 0.00 O ATOM 0 H GLU A 66 -1.246 -12.114 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.555 -14.578 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.177 -13.635 -1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.476 -12.969 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.307 -15.600 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.974 -15.742 -1.245 1.00 0.00 H new ATOM 949 N GLU A 67 1.454 -13.607 2.437 1.00 0.00 N ATOM 950 CA GLU A 67 2.276 -13.076 3.520 1.00 0.00 C ATOM 951 C GLU A 67 3.740 -13.450 3.283 1.00 0.00 C ATOM 952 O GLU A 67 4.145 -14.586 3.529 1.00 0.00 O ATOM 953 CB GLU A 67 1.799 -13.604 4.877 1.00 0.00 C ATOM 954 CG GLU A 67 1.544 -15.101 4.894 1.00 0.00 C ATOM 955 CD GLU A 67 0.067 -15.441 4.867 1.00 0.00 C ATOM 956 OE1 GLU A 67 -0.593 -15.306 5.918 1.00 0.00 O ATOM 957 OE2 GLU A 67 -0.431 -15.843 3.794 1.00 0.00 O ATOM 0 H GLU A 67 1.680 -14.568 2.180 1.00 0.00 H new ATOM 0 HA GLU A 67 2.182 -11.990 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.546 -13.363 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.882 -13.085 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.034 -15.559 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.996 -15.533 5.787 1.00 0.00 H new ATOM 964 N PHE A 68 4.520 -12.502 2.769 1.00 0.00 N ATOM 965 CA PHE A 68 5.929 -12.752 2.460 1.00 0.00 C ATOM 966 C PHE A 68 6.828 -11.625 2.963 1.00 0.00 C ATOM 967 O PHE A 68 6.357 -10.553 3.328 1.00 0.00 O ATOM 968 CB PHE A 68 6.102 -12.907 0.958 1.00 0.00 C ATOM 969 CG PHE A 68 5.503 -11.764 0.208 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.229 -10.606 0.000 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.208 -11.840 -0.262 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.667 -9.540 -0.675 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.641 -10.782 -0.933 1.00 0.00 C ATOM 974 CZ PHE A 68 4.369 -9.628 -1.142 1.00 0.00 C ATOM 0 H PHE A 68 4.203 -11.556 2.558 1.00 0.00 H new ATOM 0 HA PHE A 68 6.224 -13.669 2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.163 -12.981 0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.637 -13.838 0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.242 -10.534 0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.633 -12.740 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.241 -8.639 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.626 -10.854 -1.296 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.926 -8.796 -1.669 1.00 0.00 H new ATOM 984 N THR A 69 8.130 -11.879 2.971 1.00 0.00 N ATOM 985 CA THR A 69 9.100 -10.889 3.421 1.00 0.00 C ATOM 986 C THR A 69 10.157 -10.645 2.352 1.00 0.00 C ATOM 987 O THR A 69 10.787 -11.590 1.873 1.00 0.00 O ATOM 988 CB THR A 69 9.770 -11.354 4.716 1.00 0.00 C ATOM 989 OG1 THR A 69 8.802 -11.791 5.652 1.00 0.00 O ATOM 990 CG2 THR A 69 10.603 -10.281 5.382 1.00 0.00 C ATOM 0 H THR A 69 8.539 -12.764 2.670 1.00 0.00 H new ATOM 0 HA THR A 69 8.571 -9.955 3.608 1.00 0.00 H new ATOM 0 HB THR A 69 10.431 -12.169 4.421 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.250 -12.086 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.048 -10.679 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.393 -9.960 4.703 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.969 -9.430 5.630 1.00 0.00 H new ATOM 998 N ILE A 70 10.360 -9.382 1.971 1.00 0.00 N ATOM 999 CA ILE A 70 11.353 -9.071 0.956 1.00 0.00 C ATOM 1000 C ILE A 70 12.215 -7.892 1.368 1.00 0.00 C ATOM 1001 O ILE A 70 11.888 -7.160 2.303 1.00 0.00 O ATOM 1002 CB ILE A 70 10.699 -8.781 -0.414 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.933 -7.452 -0.394 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.785 -9.931 -0.815 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.680 -7.471 0.454 1.00 0.00 C ATOM 0 H ILE A 70 9.858 -8.576 2.345 1.00 0.00 H new ATOM 0 HA ILE A 70 11.986 -9.953 0.858 1.00 0.00 H new ATOM 0 HB ILE A 70 11.490 -8.691 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.596 -6.669 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.663 -7.186 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.330 -9.714 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.366 -10.850 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.003 -10.053 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.199 -6.494 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.995 -8.229 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.943 -7.704 1.486 1.00 0.00 H new ATOM 1017 N ASP A 71 13.304 -7.696 0.642 1.00 0.00 N ATOM 1018 CA ASP A 71 14.201 -6.586 0.901 1.00 0.00 C ATOM 1019 C ASP A 71 13.812 -5.425 0.004 1.00 0.00 C ATOM 1020 O ASP A 71 13.358 -5.637 -1.117 1.00 0.00 O ATOM 1021 CB ASP A 71 15.655 -6.999 0.634 1.00 0.00 C ATOM 1022 CG ASP A 71 16.399 -7.371 1.903 1.00 0.00 C ATOM 1023 OD1 ASP A 71 16.839 -6.452 2.626 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.545 -8.584 2.171 1.00 0.00 O ATOM 0 H ASP A 71 13.587 -8.295 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 71 14.121 -6.287 1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.668 -7.846 -0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.176 -6.180 0.139 1.00 0.00 H new ATOM 1029 N VAL A 72 14.000 -4.203 0.477 1.00 0.00 N ATOM 1030 CA VAL A 72 13.670 -3.033 -0.330 1.00 0.00 C ATOM 1031 C VAL A 72 14.655 -1.906 -0.082 1.00 0.00 C ATOM 1032 O VAL A 72 14.934 -1.551 1.061 1.00 0.00 O ATOM 1033 CB VAL A 72 12.249 -2.507 -0.057 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.218 -3.283 -0.860 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.930 -2.555 1.426 1.00 0.00 C ATOM 0 H VAL A 72 14.374 -3.994 1.403 1.00 0.00 H new ATOM 0 HA VAL A 72 13.725 -3.361 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 72 12.208 -1.466 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.223 -2.892 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.431 -3.178 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.260 -4.337 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.921 -2.178 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.997 -3.584 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.643 -1.937 1.972 1.00 0.00 H new ATOM 1045 N THR A 73 15.164 -1.326 -1.155 1.00 0.00 N ATOM 1046 CA THR A 73 16.102 -0.221 -1.061 1.00 0.00 C ATOM 1047 C THR A 73 15.941 0.655 -2.293 1.00 0.00 C ATOM 1048 O THR A 73 16.071 0.176 -3.420 1.00 0.00 O ATOM 1049 CB THR A 73 17.540 -0.738 -0.949 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.765 -1.321 0.324 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.589 0.336 -1.151 1.00 0.00 C ATOM 0 H THR A 73 14.941 -1.605 -2.110 1.00 0.00 H new ATOM 0 HA THR A 73 15.893 0.363 -0.164 1.00 0.00 H new ATOM 0 HB THR A 73 17.641 -1.472 -1.748 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.914 -1.399 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.582 -0.103 -1.058 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.477 0.772 -2.144 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.464 1.113 -0.397 1.00 0.00 H new ATOM 1059 N PHE A 74 15.636 1.926 -2.085 1.00 0.00 N ATOM 1060 CA PHE A 74 15.435 2.843 -3.193 1.00 0.00 C ATOM 1061 C PHE A 74 16.756 3.432 -3.683 1.00 0.00 C ATOM 1062 O PHE A 74 17.584 3.871 -2.885 1.00 0.00 O ATOM 1063 CB PHE A 74 14.469 3.944 -2.775 1.00 0.00 C ATOM 1064 CG PHE A 74 13.071 3.435 -2.569 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.798 2.468 -1.612 1.00 0.00 C ATOM 1066 CD2 PHE A 74 12.032 3.919 -3.339 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.509 1.998 -1.431 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.741 3.456 -3.165 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.480 2.494 -2.210 1.00 0.00 C ATOM 0 H PHE A 74 15.523 2.344 -1.162 1.00 0.00 H new ATOM 0 HA PHE A 74 15.005 2.288 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.824 4.404 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.460 4.723 -3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.600 2.078 -1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.231 4.671 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.307 1.246 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.939 3.846 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.473 2.129 -2.071 1.00 0.00 H new ATOM 1079 N PRO A 75 16.972 3.441 -5.010 1.00 0.00 N ATOM 1080 CA PRO A 75 18.202 3.971 -5.610 1.00 0.00 C ATOM 1081 C PRO A 75 18.345 5.477 -5.437 1.00 0.00 C ATOM 1082 O PRO A 75 17.500 6.129 -4.823 1.00 0.00 O ATOM 1083 CB PRO A 75 18.059 3.628 -7.093 1.00 0.00 C ATOM 1084 CG PRO A 75 16.594 3.474 -7.315 1.00 0.00 C ATOM 1085 CD PRO A 75 16.039 2.931 -6.032 1.00 0.00 C ATOM 0 HA PRO A 75 19.087 3.545 -5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.472 4.416 -7.722 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.594 2.711 -7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.134 4.430 -7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.394 2.796 -8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.021 3.279 -5.856 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.007 1.841 -6.038 1.00 0.00 H new ATOM 1093 N GLU A 76 19.422 6.018 -5.995 1.00 0.00 N ATOM 1094 CA GLU A 76 19.691 7.447 -5.923 1.00 0.00 C ATOM 1095 C GLU A 76 18.818 8.225 -6.909 1.00 0.00 C ATOM 1096 O GLU A 76 18.714 9.448 -6.824 1.00 0.00 O ATOM 1097 CB GLU A 76 21.168 7.722 -6.209 1.00 0.00 C ATOM 1098 CG GLU A 76 22.115 6.981 -5.278 1.00 0.00 C ATOM 1099 CD GLU A 76 23.228 6.269 -6.022 1.00 0.00 C ATOM 1100 OE1 GLU A 76 22.977 5.788 -7.148 1.00 0.00 O ATOM 1101 OE2 GLU A 76 24.350 6.190 -5.479 1.00 0.00 O ATOM 0 H GLU A 76 20.126 5.484 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 76 19.450 7.783 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.389 7.440 -7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.353 8.793 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 76 22.550 7.688 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.550 6.254 -4.695 1.00 0.00 H new ATOM 1108 N GLU A 77 18.199 7.511 -7.848 1.00 0.00 N ATOM 1109 CA GLU A 77 17.346 8.146 -8.849 1.00 0.00 C ATOM 1110 C GLU A 77 15.915 8.309 -8.339 1.00 0.00 C ATOM 1111 O GLU A 77 15.233 9.275 -8.683 1.00 0.00 O ATOM 1112 CB GLU A 77 17.357 7.335 -10.148 1.00 0.00 C ATOM 1113 CG GLU A 77 16.934 5.884 -9.976 1.00 0.00 C ATOM 1114 CD GLU A 77 17.808 4.925 -10.763 1.00 0.00 C ATOM 1115 OE1 GLU A 77 17.856 5.049 -12.004 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.444 4.050 -10.137 1.00 0.00 O ATOM 0 H GLU A 77 18.272 6.497 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 77 17.746 9.140 -9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.693 7.813 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.361 7.362 -10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.972 5.621 -8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.898 5.771 -10.295 1.00 0.00 H new ATOM 1123 N TYR A 78 15.464 7.370 -7.511 1.00 0.00 N ATOM 1124 CA TYR A 78 14.115 7.427 -6.953 1.00 0.00 C ATOM 1125 C TYR A 78 13.971 8.626 -6.024 1.00 0.00 C ATOM 1126 O TYR A 78 13.301 9.606 -6.352 1.00 0.00 O ATOM 1127 CB TYR A 78 13.801 6.134 -6.190 1.00 0.00 C ATOM 1128 CG TYR A 78 12.324 5.858 -6.033 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.526 6.630 -5.189 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.727 4.816 -6.725 1.00 0.00 C ATOM 1131 CE1 TYR A 78 10.177 6.367 -5.049 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.380 4.549 -6.590 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.608 5.327 -5.754 1.00 0.00 C ATOM 1134 OH TYR A 78 8.265 5.061 -5.619 1.00 0.00 O ATOM 0 H TYR A 78 16.011 6.563 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 78 13.407 7.535 -7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.264 5.295 -6.710 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.258 6.187 -5.202 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.969 7.445 -4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.326 4.202 -7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.571 6.972 -4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.932 3.733 -7.138 1.00 0.00 H new ATOM 0 HH TYR A 78 8.024 4.298 -6.184 1.00 0.00 H new ATOM 1144 N HIS A 79 14.621 8.538 -4.868 1.00 0.00 N ATOM 1145 CA HIS A 79 14.603 9.597 -3.866 1.00 0.00 C ATOM 1146 C HIS A 79 13.247 10.301 -3.756 1.00 0.00 C ATOM 1147 O HIS A 79 13.080 11.426 -4.225 1.00 0.00 O ATOM 1148 CB HIS A 79 15.707 10.609 -4.163 1.00 0.00 C ATOM 1149 CG HIS A 79 17.059 10.120 -3.745 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.166 10.933 -3.660 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.472 8.881 -3.378 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.206 10.221 -3.260 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.810 8.973 -3.081 1.00 0.00 N ATOM 0 H HIS A 79 15.177 7.726 -4.599 1.00 0.00 H new ATOM 0 HA HIS A 79 14.782 9.125 -2.900 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.717 10.828 -5.231 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.487 11.544 -3.648 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.863 7.990 -3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.207 10.595 -3.106 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.402 8.202 -2.772 1.00 0.00 H new ATOM 1161 N ALA A 80 12.287 9.635 -3.111 1.00 0.00 N ATOM 1162 CA ALA A 80 10.955 10.197 -2.914 1.00 0.00 C ATOM 1163 C ALA A 80 10.932 11.109 -1.687 1.00 0.00 C ATOM 1164 O ALA A 80 11.643 10.877 -0.713 1.00 0.00 O ATOM 1165 CB ALA A 80 9.927 9.083 -2.773 1.00 0.00 C ATOM 0 H ALA A 80 12.411 8.703 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 80 10.699 10.796 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.938 9.517 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.925 8.473 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.181 8.460 -1.915 1.00 0.00 H new ATOM 1171 N GLU A 81 10.120 12.152 -1.750 1.00 0.00 N ATOM 1172 CA GLU A 81 10.011 13.119 -0.660 1.00 0.00 C ATOM 1173 C GLU A 81 9.805 12.458 0.708 1.00 0.00 C ATOM 1174 O GLU A 81 10.206 13.013 1.732 1.00 0.00 O ATOM 1175 CB GLU A 81 8.855 14.083 -0.938 1.00 0.00 C ATOM 1176 CG GLU A 81 9.279 15.541 -1.022 1.00 0.00 C ATOM 1177 CD GLU A 81 8.877 16.193 -2.331 1.00 0.00 C ATOM 1178 OE1 GLU A 81 7.673 16.477 -2.508 1.00 0.00 O ATOM 1179 OE2 GLU A 81 9.764 16.416 -3.181 1.00 0.00 O ATOM 0 H GLU A 81 9.520 12.355 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 81 10.958 13.657 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.375 13.799 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.108 13.976 -0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.834 16.093 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.361 15.608 -0.905 1.00 0.00 H new ATOM 1186 N ASN A 82 9.144 11.305 0.734 1.00 0.00 N ATOM 1187 CA ASN A 82 8.855 10.625 1.999 1.00 0.00 C ATOM 1188 C ASN A 82 9.876 9.546 2.380 1.00 0.00 C ATOM 1189 O ASN A 82 10.144 9.344 3.565 1.00 0.00 O ATOM 1190 CB ASN A 82 7.458 10.007 1.950 1.00 0.00 C ATOM 1191 CG ASN A 82 7.211 9.222 0.675 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.469 9.659 -0.204 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.836 8.055 0.569 1.00 0.00 N ATOM 0 H ASN A 82 8.800 10.823 -0.096 1.00 0.00 H new ATOM 0 HA ASN A 82 8.916 11.393 2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.326 9.349 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.712 10.797 2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.710 7.483 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.442 7.731 1.322 1.00 0.00 H new ATOM 1200 N LEU A 83 10.417 8.825 1.400 1.00 0.00 N ATOM 1201 CA LEU A 83 11.362 7.744 1.704 1.00 0.00 C ATOM 1202 C LEU A 83 12.598 7.748 0.807 1.00 0.00 C ATOM 1203 O LEU A 83 13.306 6.750 0.715 1.00 0.00 O ATOM 1204 CB LEU A 83 10.644 6.387 1.621 1.00 0.00 C ATOM 1205 CG LEU A 83 10.463 5.759 0.222 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.344 6.794 -0.888 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.601 4.808 -0.079 1.00 0.00 C ATOM 0 H LEU A 83 10.225 8.962 0.408 1.00 0.00 H new ATOM 0 HA LEU A 83 11.722 7.915 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.194 5.677 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.657 6.501 2.068 1.00 0.00 H new ATOM 0 HG LEU A 83 9.520 5.213 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.219 6.288 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.481 7.432 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.247 7.404 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.460 4.373 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.546 5.351 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.619 4.014 0.667 1.00 0.00 H new ATOM 1219 N LYS A 84 12.855 8.870 0.157 1.00 0.00 N ATOM 1220 CA LYS A 84 14.008 9.007 -0.737 1.00 0.00 C ATOM 1221 C LYS A 84 15.229 8.208 -0.268 1.00 0.00 C ATOM 1222 O LYS A 84 15.693 8.357 0.862 1.00 0.00 O ATOM 1223 CB LYS A 84 14.393 10.480 -0.896 1.00 0.00 C ATOM 1224 CG LYS A 84 14.618 11.201 0.424 1.00 0.00 C ATOM 1225 CD LYS A 84 15.985 11.863 0.472 1.00 0.00 C ATOM 1226 CE LYS A 84 16.612 11.742 1.851 1.00 0.00 C ATOM 1227 NZ LYS A 84 18.099 11.762 1.788 1.00 0.00 N ATOM 0 H LYS A 84 12.280 9.709 0.228 1.00 0.00 H new ATOM 0 HA LYS A 84 13.699 8.596 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.301 10.546 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.608 10.993 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.843 11.954 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.527 10.492 1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.640 11.403 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.891 12.915 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.264 12.561 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.281 10.816 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.488 11.677 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.433 10.966 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.416 12.657 1.364 1.00 0.00 H new ATOM 1241 N GLY A 85 15.744 7.367 -1.166 1.00 0.00 N ATOM 1242 CA GLY A 85 16.911 6.552 -0.865 1.00 0.00 C ATOM 1243 C GLY A 85 16.797 5.801 0.448 1.00 0.00 C ATOM 1244 O GLY A 85 17.676 5.904 1.304 1.00 0.00 O ATOM 0 H GLY A 85 15.369 7.236 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.064 5.836 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.794 7.191 -0.834 1.00 0.00 H new ATOM 1248 N LYS A 86 15.716 5.049 0.613 1.00 0.00 N ATOM 1249 CA LYS A 86 15.506 4.287 1.838 1.00 0.00 C ATOM 1250 C LYS A 86 15.901 2.823 1.677 1.00 0.00 C ATOM 1251 O LYS A 86 15.099 2.002 1.234 1.00 0.00 O ATOM 1252 CB LYS A 86 14.050 4.374 2.286 1.00 0.00 C ATOM 1253 CG LYS A 86 13.785 3.687 3.617 1.00 0.00 C ATOM 1254 CD LYS A 86 12.483 2.900 3.594 1.00 0.00 C ATOM 1255 CE LYS A 86 12.640 1.579 2.857 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.074 1.639 1.481 1.00 0.00 N ATOM 0 H LYS A 86 14.975 4.950 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 86 16.149 4.731 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.764 5.423 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.415 3.926 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.612 3.016 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.745 4.433 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.154 2.710 4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.706 3.495 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.697 1.317 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.143 0.788 3.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.857 0.676 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.203 2.207 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.767 2.075 0.839 1.00 0.00 H new ATOM 1270 N ALA A 87 17.123 2.493 2.074 1.00 0.00 N ATOM 1271 CA ALA A 87 17.591 1.115 2.011 1.00 0.00 C ATOM 1272 C ALA A 87 17.109 0.378 3.252 1.00 0.00 C ATOM 1273 O ALA A 87 17.731 0.460 4.312 1.00 0.00 O ATOM 1274 CB ALA A 87 19.109 1.070 1.907 1.00 0.00 C ATOM 0 H ALA A 87 17.805 3.157 2.441 1.00 0.00 H new ATOM 0 HA ALA A 87 17.187 0.629 1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.440 0.032 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.428 1.593 1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.548 1.552 2.780 1.00 0.00 H new ATOM 1280 N ALA A 88 15.964 -0.297 3.141 1.00 0.00 N ATOM 1281 CA ALA A 88 15.388 -0.984 4.289 1.00 0.00 C ATOM 1282 C ALA A 88 14.988 -2.431 4.015 1.00 0.00 C ATOM 1283 O ALA A 88 15.215 -2.980 2.939 1.00 0.00 O ATOM 1284 CB ALA A 88 14.178 -0.199 4.786 1.00 0.00 C ATOM 0 H ALA A 88 15.426 -0.380 2.278 1.00 0.00 H new ATOM 0 HA ALA A 88 16.169 -1.029 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.742 -0.708 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.490 0.804 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.436 -0.131 3.990 1.00 0.00 H new ATOM 1290 N LYS A 89 14.361 -3.012 5.030 1.00 0.00 N ATOM 1291 CA LYS A 89 13.864 -4.378 4.989 1.00 0.00 C ATOM 1292 C LYS A 89 12.380 -4.344 5.307 1.00 0.00 C ATOM 1293 O LYS A 89 11.974 -3.636 6.225 1.00 0.00 O ATOM 1294 CB LYS A 89 14.606 -5.247 6.009 1.00 0.00 C ATOM 1295 CG LYS A 89 16.060 -5.500 5.648 1.00 0.00 C ATOM 1296 CD LYS A 89 16.972 -4.439 6.240 1.00 0.00 C ATOM 1297 CE LYS A 89 17.084 -4.575 7.749 1.00 0.00 C ATOM 1298 NZ LYS A 89 17.786 -5.829 8.148 1.00 0.00 N ATOM 0 H LYS A 89 14.182 -2.540 5.916 1.00 0.00 H new ATOM 0 HA LYS A 89 14.029 -4.809 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.561 -4.765 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.091 -6.203 6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.360 -6.483 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.170 -5.513 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.963 -4.519 5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.589 -3.449 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.621 -3.716 8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.087 -4.562 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.066 -5.767 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.149 -6.640 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.633 -5.955 7.558 1.00 0.00 H new ATOM 1312 N PHE A 90 11.572 -5.125 4.594 1.00 0.00 N ATOM 1313 CA PHE A 90 10.129 -5.171 4.860 1.00 0.00 C ATOM 1314 C PHE A 90 9.594 -6.590 4.835 1.00 0.00 C ATOM 1315 O PHE A 90 10.113 -7.445 4.118 1.00 0.00 O ATOM 1316 CB PHE A 90 9.314 -4.416 3.803 1.00 0.00 C ATOM 1317 CG PHE A 90 9.528 -2.941 3.699 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.307 -2.245 4.602 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.913 -2.253 2.676 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.473 -0.878 4.484 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.070 -0.887 2.548 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.853 -0.198 3.454 1.00 0.00 C ATOM 0 H PHE A 90 11.884 -5.730 3.834 1.00 0.00 H new ATOM 0 HA PHE A 90 10.020 -4.714 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.531 -4.858 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.257 -4.590 4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.792 -2.774 5.409 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.301 -2.788 1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.086 -0.343 5.195 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.582 -0.359 1.742 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.980 0.870 3.357 1.00 0.00 H new ATOM 1332 N ALA A 91 8.500 -6.812 5.552 1.00 0.00 N ATOM 1333 CA ALA A 91 7.822 -8.092 5.555 1.00 0.00 C ATOM 1334 C ALA A 91 6.388 -7.785 5.159 1.00 0.00 C ATOM 1335 O ALA A 91 5.633 -7.185 5.923 1.00 0.00 O ATOM 1336 CB ALA A 91 7.892 -8.755 6.923 1.00 0.00 C ATOM 0 H ALA A 91 8.062 -6.108 6.146 1.00 0.00 H new ATOM 0 HA ALA A 91 8.288 -8.796 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.374 -9.713 6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.935 -8.916 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.418 -8.111 7.664 1.00 0.00 H new ATOM 1342 N ILE A 92 6.064 -8.099 3.914 1.00 0.00 N ATOM 1343 CA ILE A 92 4.767 -7.752 3.353 1.00 0.00 C ATOM 1344 C ILE A 92 3.773 -8.905 3.250 1.00 0.00 C ATOM 1345 O ILE A 92 4.129 -10.079 3.291 1.00 0.00 O ATOM 1346 CB ILE A 92 4.959 -7.160 1.939 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.110 -6.136 1.936 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.663 -6.555 1.436 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.078 -5.137 0.794 1.00 0.00 C ATOM 0 H ILE A 92 6.683 -8.594 3.272 1.00 0.00 H new ATOM 0 HA ILE A 92 4.340 -7.035 4.054 1.00 0.00 H new ATOM 0 HB ILE A 92 5.232 -7.962 1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.091 -5.588 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.056 -6.676 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.817 -6.143 0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.893 -7.326 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.346 -5.761 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.928 -4.460 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.132 -5.669 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.152 -4.564 0.838 1.00 0.00 H new ATOM 1361 N ASN A 93 2.512 -8.524 3.072 1.00 0.00 N ATOM 1362 CA ASN A 93 1.416 -9.466 2.901 1.00 0.00 C ATOM 1363 C ASN A 93 0.521 -8.998 1.754 1.00 0.00 C ATOM 1364 O ASN A 93 -0.238 -8.038 1.900 1.00 0.00 O ATOM 1365 CB ASN A 93 0.596 -9.597 4.186 1.00 0.00 C ATOM 1366 CG ASN A 93 1.462 -9.770 5.419 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.142 -10.784 5.578 1.00 0.00 O ATOM 1368 ND2 ASN A 93 1.441 -8.776 6.299 1.00 0.00 N ATOM 0 H ASN A 93 2.222 -7.547 3.042 1.00 0.00 H new ATOM 0 HA ASN A 93 1.832 -10.446 2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.027 -8.711 4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.077 -10.450 4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.004 -8.834 7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.862 -7.954 6.126 1.00 0.00 H new ATOM 1375 N LEU A 94 0.630 -9.661 0.607 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.153 -9.289 -0.569 1.00 0.00 C ATOM 1377 C LEU A 94 -1.647 -9.494 -0.355 1.00 0.00 C ATOM 1378 O LEU A 94 -2.060 -10.327 0.448 1.00 0.00 O ATOM 1379 CB LEU A 94 0.303 -10.094 -1.786 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.064 -9.487 -3.138 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.720 -8.205 -3.374 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.196 -10.484 -4.254 1.00 0.00 C ATOM 0 H LEU A 94 1.251 -10.457 0.466 1.00 0.00 H new ATOM 0 HA LEU A 94 0.017 -8.226 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.386 -10.211 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.129 -11.093 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.127 -9.245 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.447 -7.785 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.488 -7.487 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.788 -8.424 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.071 -10.036 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.252 -10.755 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.406 -11.378 -4.091 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.449 -8.730 -1.096 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.898 -8.831 -1.001 1.00 0.00 C ATOM 1396 C LYS A 95 -4.562 -8.514 -2.349 1.00 0.00 C ATOM 1397 O LYS A 95 -4.571 -9.348 -3.251 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.429 -7.910 0.104 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.253 -8.471 1.505 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.410 -7.389 2.560 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.791 -7.423 3.190 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.820 -6.802 2.310 1.00 0.00 N ATOM 0 H LYS A 95 -2.117 -8.037 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.152 -9.858 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.918 -6.949 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.488 -7.720 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.986 -9.259 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.267 -8.928 1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.653 -7.520 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.239 -6.412 2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.069 -8.456 3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.767 -6.899 4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.713 -6.707 2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.495 -5.862 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.971 -7.403 1.475 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.162 -7.333 -2.467 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.865 -6.969 -3.688 1.00 0.00 C ATOM 1418 C LYS A 96 -4.918 -6.588 -4.819 1.00 0.00 C ATOM 1419 O LYS A 96 -4.392 -5.476 -4.858 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.828 -5.814 -3.412 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.272 -6.248 -3.244 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.873 -6.705 -4.561 1.00 0.00 C ATOM 1423 CE LYS A 96 -8.780 -8.215 -4.722 1.00 0.00 C ATOM 1424 NZ LYS A 96 -7.928 -8.602 -5.882 1.00 0.00 N ATOM 0 H LYS A 96 -5.175 -6.619 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.419 -7.850 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.507 -5.294 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.766 -5.098 -4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.327 -7.058 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.857 -5.420 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.917 -6.396 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.355 -6.217 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.372 -8.652 -3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.780 -8.628 -4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.436 -9.493 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.525 -8.728 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.227 -7.855 -6.063 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.738 -7.512 -5.762 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.897 -7.286 -6.930 1.00 0.00 C ATOM 1440 C VAL A 97 -4.772 -7.224 -8.183 1.00 0.00 C ATOM 1441 O VAL A 97 -5.289 -8.245 -8.633 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.843 -8.409 -7.084 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.477 -9.786 -6.893 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.143 -8.322 -8.436 1.00 0.00 C ATOM 0 H VAL A 97 -5.171 -8.435 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.370 -6.341 -6.798 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.094 -8.269 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.714 -10.557 -7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.913 -9.851 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.257 -9.934 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.408 -9.123 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.879 -8.423 -9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.641 -7.358 -8.525 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.954 -6.024 -8.728 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.794 -5.847 -9.912 1.00 0.00 C ATOM 1456 C GLU A 98 -5.009 -5.220 -11.065 1.00 0.00 C ATOM 1457 O GLU A 98 -3.793 -5.087 -10.990 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.999 -4.979 -9.557 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.759 -5.470 -8.336 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.188 -4.341 -7.418 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.365 -3.907 -6.586 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.348 -3.891 -7.531 1.00 0.00 O ATOM 0 H GLU A 98 -4.535 -5.165 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.136 -6.828 -10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.662 -3.958 -9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.678 -4.947 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.640 -6.023 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.132 -6.167 -7.779 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.713 -4.845 -12.139 1.00 0.00 N ATOM 1470 CA GLU A 99 -5.066 -4.242 -13.306 1.00 0.00 C ATOM 1471 C GLU A 99 -5.496 -2.793 -13.509 1.00 0.00 C ATOM 1472 O GLU A 99 -6.430 -2.511 -14.255 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.375 -5.050 -14.569 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.435 -4.754 -15.730 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.048 -3.817 -16.752 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.003 -4.233 -17.441 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.570 -2.669 -16.866 1.00 0.00 O ATOM 0 H GLU A 99 -6.724 -4.948 -12.223 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.992 -4.254 -13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.322 -6.113 -14.332 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.399 -4.844 -14.880 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.515 -4.314 -15.345 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.161 -5.689 -16.218 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.786 -1.879 -12.859 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.075 -0.454 -12.974 1.00 0.00 C ATOM 1486 C ARG A 100 -4.698 0.071 -14.357 1.00 0.00 C ATOM 1487 O ARG A 100 -3.814 -0.472 -15.019 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.309 0.322 -11.905 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.800 0.207 -12.050 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.119 1.559 -11.912 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.821 2.153 -13.213 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.639 2.062 -13.823 1.00 0.00 C ATOM 1493 NH1 ARG A 100 0.369 1.414 -13.252 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -0.466 2.624 -15.011 1.00 0.00 N ATOM 0 H ARG A 100 -4.003 -2.100 -12.244 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.146 -0.313 -12.830 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.594 1.373 -11.954 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.602 -0.042 -10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.412 -0.475 -11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.559 -0.225 -13.022 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.760 2.232 -11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.195 1.444 -11.345 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.564 2.670 -13.684 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.243 0.980 -12.338 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.269 1.350 -13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.236 3.124 -15.456 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.437 2.556 -15.481 1.00 0.00 H new