USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 642 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 33 HIS : no HE2:sc= -4.5 K(o=-4.9,f=-14!) USER MOD Set 1.2: A 51 SER OG : rot 113:sc= -0.367 USER MOD Set 2.1: A 21 GLN : amide:sc= 0.749 K(o=1.6,f=-5!) USER MOD Set 2.2: A 23 LYS NZ :NH3+ -112:sc= 0.842 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.619 K(o=-0.62,f=-1.8!) USER MOD Single : A 19 ASN : amide:sc= -0.0939 K(o=-0.094,f=-1.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 119:sc= -0.721! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -2.01! C(o=-2!,f=-3.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.816 K(o=-0.82,f=-1.8!) USER MOD Single : A 48 GLN : amide:sc=-0.00833 K(o=-0.0083,f=-0.93) USER MOD Single : A 55 CYS SG : rot 83:sc= -2.21 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-1.2) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -81:sc= -0.86 USER MOD Single : A 73 HIS : no HD1:sc= -4.27! C(o=-4.3!,f=-5.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= -1.55! (180deg=-2.26!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.878 USER MOD Single : A 86 SER OG : rot 29:sc= 1.05 USER MOD Single : A 89 MET CE :methyl -138:sc= -1.07 (180deg=-3.94!) USER MOD Single : A 91 HIS : no HD1:sc= -0.673 K(o=-0.67,f=-0.079) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -170:sc= -0.374 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -3.106 -10.700 7.151 1.00 0.00 N ATOM 137 CA TYR A 13 -2.556 -11.400 5.996 1.00 0.00 C ATOM 138 C TYR A 13 -3.315 -11.033 4.724 1.00 0.00 C ATOM 139 O TYR A 13 -4.471 -11.417 4.544 1.00 0.00 O ATOM 140 CB TYR A 13 -2.612 -12.913 6.217 1.00 0.00 C ATOM 141 CG TYR A 13 -1.881 -13.370 7.460 1.00 0.00 C ATOM 142 CD1 TYR A 13 -2.505 -13.358 8.701 1.00 0.00 C ATOM 143 CD2 TYR A 13 -0.567 -13.815 7.392 1.00 0.00 C ATOM 144 CE1 TYR A 13 -1.841 -13.774 9.839 1.00 0.00 C ATOM 145 CE2 TYR A 13 0.105 -14.235 8.524 1.00 0.00 C ATOM 146 CZ TYR A 13 -0.537 -14.212 9.745 1.00 0.00 C ATOM 147 OH TYR A 13 0.128 -14.628 10.876 1.00 0.00 O ATOM 0 HA TYR A 13 -1.516 -11.094 5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.655 -13.224 6.284 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.185 -13.415 5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.527 -13.018 8.778 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.062 -13.833 6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.340 -13.756 10.796 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.126 -14.579 8.453 1.00 0.00 H new ATOM 0 HH TYR A 13 1.037 -14.906 10.637 1.00 0.00 H new ATOM 157 N LEU A 14 -2.655 -10.287 3.845 1.00 0.00 N ATOM 158 CA LEU A 14 -3.265 -9.867 2.588 1.00 0.00 C ATOM 159 C LEU A 14 -2.574 -10.528 1.400 1.00 0.00 C ATOM 160 O LEU A 14 -1.535 -11.169 1.552 1.00 0.00 O ATOM 161 CB LEU A 14 -3.199 -8.345 2.450 1.00 0.00 C ATOM 162 CG LEU A 14 -4.411 -7.571 2.969 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.185 -6.073 2.835 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.671 -7.990 2.226 1.00 0.00 C ATOM 0 H LEU A 14 -1.698 -9.961 3.979 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.309 -10.180 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.314 -7.990 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.061 -8.101 1.397 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.542 -7.806 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.058 -5.538 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.307 -5.784 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.028 -5.821 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.523 -7.428 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.551 -7.786 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.843 -9.056 2.374 1.00 0.00 H new ATOM 176 N ASN A 15 -3.157 -10.365 0.217 1.00 0.00 N ATOM 177 CA ASN A 15 -2.596 -10.944 -0.998 1.00 0.00 C ATOM 178 C ASN A 15 -1.926 -9.872 -1.853 1.00 0.00 C ATOM 179 O ASN A 15 -2.597 -9.040 -2.463 1.00 0.00 O ATOM 180 CB ASN A 15 -3.690 -11.646 -1.806 1.00 0.00 C ATOM 181 CG ASN A 15 -3.829 -13.111 -1.440 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.853 -13.766 -1.074 1.00 0.00 O ATOM 183 ND2 ASN A 15 -5.047 -13.632 -1.537 1.00 0.00 N ATOM 0 H ASN A 15 -4.018 -9.837 0.074 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.842 -11.675 -0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.641 -11.141 -1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.465 -11.560 -2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.202 -14.613 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.827 -13.051 -1.845 1.00 0.00 H new ATOM 190 N VAL A 16 -0.598 -9.900 -1.892 1.00 0.00 N ATOM 191 CA VAL A 16 0.164 -8.932 -2.673 1.00 0.00 C ATOM 192 C VAL A 16 0.589 -9.520 -4.014 1.00 0.00 C ATOM 193 O VAL A 16 1.416 -10.432 -4.070 1.00 0.00 O ATOM 194 CB VAL A 16 1.417 -8.459 -1.912 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.150 -7.387 -2.704 1.00 0.00 C ATOM 196 CG2 VAL A 16 1.039 -7.947 -0.530 1.00 0.00 C ATOM 0 H VAL A 16 -0.027 -10.582 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.491 -8.078 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 16 2.088 -9.309 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.032 -7.065 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.455 -7.792 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.489 -6.535 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.936 -7.617 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.348 -7.110 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.562 -8.747 0.036 1.00 0.00 H new ATOM 206 N LEU A 17 0.019 -8.993 -5.092 1.00 0.00 N ATOM 207 CA LEU A 17 0.339 -9.466 -6.434 1.00 0.00 C ATOM 208 C LEU A 17 1.801 -9.193 -6.773 1.00 0.00 C ATOM 209 O LEU A 17 2.301 -8.087 -6.567 1.00 0.00 O ATOM 210 CB LEU A 17 -0.569 -8.791 -7.464 1.00 0.00 C ATOM 211 CG LEU A 17 -0.772 -9.547 -8.777 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.770 -10.679 -8.593 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.236 -8.598 -9.872 1.00 0.00 C ATOM 0 H LEU A 17 -0.667 -8.238 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 17 0.173 -10.543 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.545 -8.628 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.157 -7.808 -7.694 1.00 0.00 H new ATOM 0 HG LEU A 17 0.183 -9.978 -9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.901 -11.205 -9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.398 -11.373 -7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.727 -10.271 -8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.375 -9.153 -10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.180 -8.138 -9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.486 -7.822 -10.023 1.00 0.00 H new ATOM 225 N VAL A 18 2.481 -10.208 -7.297 1.00 0.00 N ATOM 226 CA VAL A 18 3.885 -10.077 -7.668 1.00 0.00 C ATOM 227 C VAL A 18 4.088 -10.351 -9.154 1.00 0.00 C ATOM 228 O VAL A 18 4.239 -9.427 -9.951 1.00 0.00 O ATOM 229 CB VAL A 18 4.773 -11.037 -6.854 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.222 -10.937 -7.305 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.648 -10.745 -5.366 1.00 0.00 C ATOM 0 H VAL A 18 2.082 -11.130 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 18 4.176 -9.050 -7.447 1.00 0.00 H new ATOM 0 HB VAL A 18 4.432 -12.057 -7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.834 -11.622 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.293 -11.199 -8.361 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.579 -9.917 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.282 -11.432 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.961 -9.720 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.611 -10.873 -5.056 1.00 0.00 H new ATOM 241 N ASN A 19 4.091 -11.629 -9.519 1.00 0.00 N ATOM 242 CA ASN A 19 4.275 -12.026 -10.911 1.00 0.00 C ATOM 243 C ASN A 19 2.995 -12.632 -11.478 1.00 0.00 C ATOM 244 O ASN A 19 2.924 -13.835 -11.728 1.00 0.00 O ATOM 245 CB ASN A 19 5.424 -13.030 -11.028 1.00 0.00 C ATOM 246 CG ASN A 19 6.781 -12.354 -11.069 1.00 0.00 C ATOM 247 OD1 ASN A 19 6.893 -11.183 -11.432 1.00 0.00 O ATOM 248 ND2 ASN A 19 7.821 -13.092 -10.697 1.00 0.00 N ATOM 0 H ASN A 19 3.968 -12.407 -8.871 1.00 0.00 H new ATOM 0 HA ASN A 19 4.520 -11.134 -11.488 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.389 -13.718 -10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.291 -13.627 -11.930 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.759 -12.692 -10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.681 -14.059 -10.403 1.00 0.00 H new ATOM 255 N SER A 20 1.987 -11.790 -11.680 1.00 0.00 N ATOM 256 CA SER A 20 0.709 -12.242 -12.215 1.00 0.00 C ATOM 257 C SER A 20 0.055 -13.254 -11.278 1.00 0.00 C ATOM 258 O SER A 20 -0.750 -14.080 -11.706 1.00 0.00 O ATOM 259 CB SER A 20 0.902 -12.863 -13.600 1.00 0.00 C ATOM 260 OG SER A 20 1.072 -11.862 -14.589 1.00 0.00 O ATOM 0 H SER A 20 2.031 -10.791 -11.481 1.00 0.00 H new ATOM 0 HA SER A 20 0.053 -11.376 -12.302 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.772 -13.520 -13.589 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.039 -13.481 -13.848 1.00 0.00 H new ATOM 0 HG SER A 20 1.195 -12.285 -15.465 1.00 0.00 H new ATOM 266 N GLN A 21 0.408 -13.180 -9.999 1.00 0.00 N ATOM 267 CA GLN A 21 -0.143 -14.090 -9.002 1.00 0.00 C ATOM 268 C GLN A 21 -0.166 -13.437 -7.624 1.00 0.00 C ATOM 269 O GLN A 21 0.567 -12.481 -7.367 1.00 0.00 O ATOM 270 CB GLN A 21 0.673 -15.383 -8.953 1.00 0.00 C ATOM 271 CG GLN A 21 0.324 -16.364 -10.060 1.00 0.00 C ATOM 272 CD GLN A 21 1.152 -17.633 -9.997 1.00 0.00 C ATOM 273 OE1 GLN A 21 1.922 -17.840 -9.059 1.00 0.00 O ATOM 274 NE2 GLN A 21 0.997 -18.491 -10.998 1.00 0.00 N ATOM 0 H GLN A 21 1.072 -12.500 -9.629 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.167 -14.327 -9.290 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.733 -15.137 -9.018 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.516 -15.866 -7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.733 -16.621 -9.993 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.475 -15.884 -11.027 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.348 -18.279 -11.755 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.527 -19.362 -11.010 1.00 0.00 H new ATOM 283 N TRP A 22 -1.011 -13.958 -6.742 1.00 0.00 N ATOM 284 CA TRP A 22 -1.129 -13.425 -5.389 1.00 0.00 C ATOM 285 C TRP A 22 -0.263 -14.215 -4.415 1.00 0.00 C ATOM 286 O TRP A 22 -0.550 -15.373 -4.111 1.00 0.00 O ATOM 287 CB TRP A 22 -2.589 -13.456 -4.933 1.00 0.00 C ATOM 288 CG TRP A 22 -3.505 -12.669 -5.820 1.00 0.00 C ATOM 289 CD1 TRP A 22 -4.282 -13.154 -6.834 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.739 -11.257 -5.775 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.984 -12.129 -7.421 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.669 -10.955 -6.789 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.254 -10.218 -4.975 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -5.121 -9.659 -7.022 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.704 -8.933 -5.208 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.630 -8.662 -6.224 1.00 0.00 C ATOM 0 H TRP A 22 -1.625 -14.749 -6.939 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.780 -12.392 -5.400 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.929 -14.491 -4.898 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.653 -13.065 -3.918 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.336 -14.191 -7.131 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.634 -12.226 -8.201 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.540 -10.417 -4.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.834 -9.448 -7.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.336 -8.123 -4.596 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.963 -7.646 -6.380 1.00 0.00 H new ATOM 307 N LYS A 23 0.800 -13.583 -3.928 1.00 0.00 N ATOM 308 CA LYS A 23 1.708 -14.226 -2.986 1.00 0.00 C ATOM 309 C LYS A 23 1.386 -13.816 -1.553 1.00 0.00 C ATOM 310 O LYS A 23 1.158 -12.640 -1.270 1.00 0.00 O ATOM 311 CB LYS A 23 3.158 -13.865 -3.317 1.00 0.00 C ATOM 312 CG LYS A 23 3.469 -13.897 -4.804 1.00 0.00 C ATOM 313 CD LYS A 23 3.546 -15.321 -5.326 1.00 0.00 C ATOM 314 CE LYS A 23 2.198 -15.800 -5.842 1.00 0.00 C ATOM 315 NZ LYS A 23 2.227 -17.241 -6.217 1.00 0.00 N ATOM 0 H LYS A 23 1.054 -12.625 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 23 1.579 -15.305 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.373 -12.869 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.823 -14.557 -2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.700 -13.350 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.415 -13.389 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.284 -15.377 -6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.888 -15.983 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.438 -15.639 -5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.909 -15.205 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.124 -17.334 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.132 -17.659 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.445 -17.738 -5.745 1.00 0.00 H new ATOM 329 N SER A 24 1.369 -14.793 -0.652 1.00 0.00 N ATOM 330 CA SER A 24 1.073 -14.534 0.752 1.00 0.00 C ATOM 331 C SER A 24 2.117 -13.607 1.366 1.00 0.00 C ATOM 332 O SER A 24 3.201 -14.044 1.752 1.00 0.00 O ATOM 333 CB SER A 24 1.017 -15.847 1.534 1.00 0.00 C ATOM 334 OG SER A 24 0.776 -15.611 2.910 1.00 0.00 O ATOM 0 H SER A 24 1.557 -15.772 -0.870 1.00 0.00 H new ATOM 0 HA SER A 24 0.101 -14.044 0.808 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.230 -16.483 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.957 -16.386 1.413 1.00 0.00 H new ATOM 0 HG SER A 24 0.743 -16.466 3.388 1.00 0.00 H new ATOM 340 N ARG A 25 1.783 -12.323 1.452 1.00 0.00 N ATOM 341 CA ARG A 25 2.691 -11.333 2.017 1.00 0.00 C ATOM 342 C ARG A 25 2.019 -10.563 3.150 1.00 0.00 C ATOM 343 O ARG A 25 0.803 -10.370 3.147 1.00 0.00 O ATOM 344 CB ARG A 25 3.159 -10.361 0.933 1.00 0.00 C ATOM 345 CG ARG A 25 3.878 -9.139 1.479 1.00 0.00 C ATOM 346 CD ARG A 25 5.334 -9.444 1.796 1.00 0.00 C ATOM 347 NE ARG A 25 6.064 -9.908 0.620 1.00 0.00 N ATOM 348 CZ ARG A 25 6.363 -9.129 -0.414 1.00 0.00 C ATOM 349 NH1 ARG A 25 5.996 -7.855 -0.417 1.00 0.00 N ATOM 350 NH2 ARG A 25 7.030 -9.624 -1.449 1.00 0.00 N ATOM 0 H ARG A 25 0.890 -11.945 1.137 1.00 0.00 H new ATOM 0 HA ARG A 25 3.556 -11.859 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.824 -10.887 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.296 -10.035 0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.825 -8.329 0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.373 -8.791 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.814 -8.549 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.384 -10.203 2.577 1.00 0.00 H new ATOM 0 HE ARG A 25 6.361 -10.883 0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.483 -7.470 0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.227 -7.260 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.314 -10.604 -1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.259 -9.025 -2.242 1.00 0.00 H new ATOM 364 N TRP A 26 2.818 -10.127 4.117 1.00 0.00 N ATOM 365 CA TRP A 26 2.300 -9.378 5.257 1.00 0.00 C ATOM 366 C TRP A 26 2.131 -7.903 4.908 1.00 0.00 C ATOM 367 O TRP A 26 2.816 -7.382 4.027 1.00 0.00 O ATOM 368 CB TRP A 26 3.235 -9.526 6.458 1.00 0.00 C ATOM 369 CG TRP A 26 2.597 -9.142 7.758 1.00 0.00 C ATOM 370 CD1 TRP A 26 2.242 -7.885 8.157 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.241 -10.020 8.831 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.687 -7.929 9.413 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.673 -9.228 9.848 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.344 -11.400 9.031 1.00 0.00 C ATOM 375 CZ2 TRP A 26 1.213 -9.770 11.045 1.00 0.00 C ATOM 376 CZ3 TRP A 26 1.887 -11.936 10.220 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.327 -11.123 11.214 1.00 0.00 C ATOM 0 H TRP A 26 3.826 -10.279 4.135 1.00 0.00 H new ATOM 0 HA TRP A 26 1.322 -9.786 5.514 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.575 -10.560 6.520 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.119 -8.909 6.299 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.378 -6.988 7.571 1.00 0.00 H new ATOM 0 HE1 TRP A 26 1.341 -7.125 9.937 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.773 -12.035 8.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.782 -9.145 11.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.963 -13.000 10.386 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.978 -11.573 12.132 1.00 0.00 H new ATOM 388 N CYS A 27 1.217 -7.237 5.603 1.00 0.00 N ATOM 389 CA CYS A 27 0.958 -5.821 5.366 1.00 0.00 C ATOM 390 C CYS A 27 0.868 -5.056 6.682 1.00 0.00 C ATOM 391 O CYS A 27 0.335 -5.561 7.670 1.00 0.00 O ATOM 392 CB CYS A 27 -0.337 -5.644 4.570 1.00 0.00 C ATOM 393 SG CYS A 27 -1.749 -6.547 5.249 1.00 0.00 S ATOM 0 H CYS A 27 0.642 -7.654 6.335 1.00 0.00 H new ATOM 0 HA CYS A 27 1.790 -5.417 4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.584 -4.583 4.529 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.168 -5.972 3.544 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.686 -5.706 5.575 1.00 0.00 H new ATOM 399 N SER A 28 1.396 -3.836 6.689 1.00 0.00 N ATOM 400 CA SER A 28 1.381 -3.003 7.886 1.00 0.00 C ATOM 401 C SER A 28 1.211 -1.532 7.521 1.00 0.00 C ATOM 402 O SER A 28 2.036 -0.957 6.812 1.00 0.00 O ATOM 403 CB SER A 28 2.672 -3.197 8.684 1.00 0.00 C ATOM 404 OG SER A 28 2.635 -2.466 9.897 1.00 0.00 O ATOM 0 H SER A 28 1.839 -3.402 5.879 1.00 0.00 H new ATOM 0 HA SER A 28 0.534 -3.307 8.501 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.816 -4.256 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.525 -2.874 8.087 1.00 0.00 H new ATOM 0 HG SER A 28 3.470 -2.607 10.390 1.00 0.00 H new ATOM 410 N VAL A 29 0.134 -0.927 8.013 1.00 0.00 N ATOM 411 CA VAL A 29 -0.146 0.478 7.741 1.00 0.00 C ATOM 412 C VAL A 29 0.149 1.343 8.961 1.00 0.00 C ATOM 413 O VAL A 29 -0.476 1.187 10.011 1.00 0.00 O ATOM 414 CB VAL A 29 -1.612 0.687 7.320 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.964 2.167 7.327 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.864 0.077 5.949 1.00 0.00 C ATOM 0 H VAL A 29 -0.559 -1.388 8.602 1.00 0.00 H new ATOM 0 HA VAL A 29 0.506 0.777 6.920 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.255 0.182 8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.004 2.295 7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.824 2.570 8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.317 2.698 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.905 0.234 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.214 0.552 5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.654 -0.992 5.982 1.00 0.00 H new ATOM 426 N ARG A 30 1.105 2.255 8.816 1.00 0.00 N ATOM 427 CA ARG A 30 1.484 3.145 9.907 1.00 0.00 C ATOM 428 C ARG A 30 2.357 4.288 9.398 1.00 0.00 C ATOM 429 O ARG A 30 3.190 4.099 8.511 1.00 0.00 O ATOM 430 CB ARG A 30 2.227 2.366 10.994 1.00 0.00 C ATOM 431 CG ARG A 30 2.282 3.088 12.331 1.00 0.00 C ATOM 432 CD ARG A 30 3.534 2.721 13.111 1.00 0.00 C ATOM 433 NE ARG A 30 3.899 3.753 14.078 1.00 0.00 N ATOM 434 CZ ARG A 30 4.624 3.518 15.166 1.00 0.00 C ATOM 435 NH1 ARG A 30 5.058 2.292 15.425 1.00 0.00 N ATOM 436 NH2 ARG A 30 4.915 4.509 15.998 1.00 0.00 N ATOM 0 H ARG A 30 1.631 2.397 7.954 1.00 0.00 H new ATOM 0 HA ARG A 30 0.573 3.568 10.331 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.742 1.400 11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.244 2.167 10.656 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.258 4.165 12.165 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.399 2.836 12.918 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.373 1.777 13.632 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.360 2.565 12.418 1.00 0.00 H new ATOM 0 HE ARG A 30 3.580 4.707 13.909 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.835 1.527 14.788 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.615 2.114 16.261 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.582 5.453 15.803 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.472 4.327 16.833 1.00 0.00 H new ATOM 450 N ASP A 31 2.160 5.473 9.964 1.00 0.00 N ATOM 451 CA ASP A 31 2.929 6.647 9.568 1.00 0.00 C ATOM 452 C ASP A 31 2.641 7.022 8.118 1.00 0.00 C ATOM 453 O ASP A 31 3.517 7.512 7.408 1.00 0.00 O ATOM 454 CB ASP A 31 4.425 6.389 9.754 1.00 0.00 C ATOM 455 CG ASP A 31 5.254 7.649 9.599 1.00 0.00 C ATOM 456 OD1 ASP A 31 5.304 8.447 10.559 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.851 7.838 8.519 1.00 0.00 O ATOM 0 H ASP A 31 1.474 5.646 10.699 1.00 0.00 H new ATOM 0 HA ASP A 31 2.630 7.479 10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.597 5.964 10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.756 5.648 9.026 1.00 0.00 H new ATOM 462 N ASN A 32 1.406 6.787 7.686 1.00 0.00 N ATOM 463 CA ASN A 32 1.003 7.099 6.319 1.00 0.00 C ATOM 464 C ASN A 32 1.868 6.348 5.312 1.00 0.00 C ATOM 465 O ASN A 32 2.238 6.889 4.269 1.00 0.00 O ATOM 466 CB ASN A 32 1.099 8.605 6.068 1.00 0.00 C ATOM 467 CG ASN A 32 0.075 9.390 6.864 1.00 0.00 C ATOM 468 OD1 ASN A 32 0.409 10.045 7.852 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.181 9.328 6.437 1.00 0.00 N ATOM 0 H ASN A 32 0.668 6.382 8.262 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.032 6.781 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.100 8.951 6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.959 8.803 5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.914 9.836 6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.413 8.773 5.613 1.00 0.00 H new ATOM 476 N HIS A 33 2.187 5.097 5.630 1.00 0.00 N ATOM 477 CA HIS A 33 3.008 4.270 4.752 1.00 0.00 C ATOM 478 C HIS A 33 2.650 2.795 4.905 1.00 0.00 C ATOM 479 O HIS A 33 2.515 2.290 6.020 1.00 0.00 O ATOM 480 CB HIS A 33 4.491 4.482 5.058 1.00 0.00 C ATOM 481 CG HIS A 33 5.070 5.698 4.403 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.736 6.983 4.773 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.968 5.819 3.397 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.402 7.842 4.022 1.00 0.00 C ATOM 485 NE2 HIS A 33 6.157 7.161 3.179 1.00 0.00 N ATOM 0 H HIS A 33 1.890 4.634 6.489 1.00 0.00 H new ATOM 0 HA HIS A 33 2.811 4.568 3.722 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.623 4.563 6.137 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.050 3.604 4.734 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.078 7.232 5.511 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.447 5.010 2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.340 8.918 4.086 1.00 0.00 H new ATOM 494 N LEU A 34 2.497 2.109 3.777 1.00 0.00 N ATOM 495 CA LEU A 34 2.154 0.691 3.785 1.00 0.00 C ATOM 496 C LEU A 34 3.405 -0.172 3.662 1.00 0.00 C ATOM 497 O LEU A 34 3.979 -0.303 2.580 1.00 0.00 O ATOM 498 CB LEU A 34 1.187 0.374 2.642 1.00 0.00 C ATOM 499 CG LEU A 34 1.105 -1.094 2.221 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.971 -1.992 3.440 1.00 0.00 C ATOM 501 CD2 LEU A 34 -0.061 -1.310 1.267 1.00 0.00 C ATOM 0 H LEU A 34 2.605 2.512 2.846 1.00 0.00 H new ATOM 0 HA LEU A 34 1.671 0.464 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.190 0.704 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.477 0.965 1.773 1.00 0.00 H new ATOM 0 HG LEU A 34 2.027 -1.356 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.914 -3.033 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.837 -1.858 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.065 -1.730 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.105 -2.360 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.992 -1.031 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.077 -0.694 0.378 1.00 0.00 H new ATOM 513 N HIS A 35 3.822 -0.763 4.778 1.00 0.00 N ATOM 514 CA HIS A 35 5.005 -1.617 4.795 1.00 0.00 C ATOM 515 C HIS A 35 4.642 -3.054 4.433 1.00 0.00 C ATOM 516 O HIS A 35 3.469 -3.430 4.443 1.00 0.00 O ATOM 517 CB HIS A 35 5.668 -1.578 6.171 1.00 0.00 C ATOM 518 CG HIS A 35 6.208 -0.230 6.538 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.556 0.061 6.561 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.573 0.911 6.896 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.727 1.321 6.919 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.539 1.859 7.127 1.00 0.00 N ATOM 0 H HIS A 35 3.359 -0.666 5.681 1.00 0.00 H new ATOM 0 HA HIS A 35 5.707 -1.239 4.051 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.942 -1.887 6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.480 -2.304 6.194 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.506 1.050 6.984 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.676 1.825 7.024 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.367 2.823 7.413 1.00 0.00 H new ATOM 531 N PHE A 36 5.655 -3.852 4.112 1.00 0.00 N ATOM 532 CA PHE A 36 5.442 -5.247 3.745 1.00 0.00 C ATOM 533 C PHE A 36 6.441 -6.155 4.457 1.00 0.00 C ATOM 534 O PHE A 36 7.643 -5.890 4.462 1.00 0.00 O ATOM 535 CB PHE A 36 5.566 -5.422 2.230 1.00 0.00 C ATOM 536 CG PHE A 36 4.540 -4.650 1.451 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.671 -3.283 1.271 1.00 0.00 C ATOM 538 CD2 PHE A 36 3.442 -5.292 0.900 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.729 -2.570 0.555 1.00 0.00 C ATOM 540 CE2 PHE A 36 2.497 -4.584 0.182 1.00 0.00 C ATOM 541 CZ PHE A 36 2.640 -3.221 0.010 1.00 0.00 C ATOM 0 H PHE A 36 6.631 -3.557 4.099 1.00 0.00 H new ATOM 0 HA PHE A 36 4.436 -5.529 4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.561 -5.107 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.475 -6.480 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.520 -2.768 1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.324 -6.357 1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.844 -1.504 0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.647 -5.096 -0.244 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.902 -2.666 -0.549 1.00 0.00 H new ATOM 551 N TYR A 37 5.934 -7.226 5.057 1.00 0.00 N ATOM 552 CA TYR A 37 6.780 -8.172 5.775 1.00 0.00 C ATOM 553 C TYR A 37 6.490 -9.604 5.335 1.00 0.00 C ATOM 554 O TYR A 37 5.459 -9.880 4.723 1.00 0.00 O ATOM 555 CB TYR A 37 6.565 -8.038 7.283 1.00 0.00 C ATOM 556 CG TYR A 37 6.811 -6.641 7.807 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.879 -5.629 7.610 1.00 0.00 C ATOM 558 CD2 TYR A 37 7.975 -6.332 8.501 1.00 0.00 C ATOM 559 CE1 TYR A 37 6.099 -4.352 8.086 1.00 0.00 C ATOM 560 CE2 TYR A 37 8.203 -5.058 8.982 1.00 0.00 C ATOM 561 CZ TYR A 37 7.262 -4.071 8.772 1.00 0.00 C ATOM 562 OH TYR A 37 7.485 -2.799 9.249 1.00 0.00 O ATOM 0 H TYR A 37 4.941 -7.461 5.060 1.00 0.00 H new ATOM 0 HA TYR A 37 7.819 -7.941 5.541 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.544 -8.333 7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.227 -8.733 7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.966 -5.846 7.075 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.714 -7.102 8.667 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.365 -3.577 7.922 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.113 -4.835 9.520 1.00 0.00 H new ATOM 0 HH TYR A 37 8.350 -2.769 9.709 1.00 0.00 H new ATOM 572 N GLN A 38 7.409 -10.511 5.652 1.00 0.00 N ATOM 573 CA GLN A 38 7.254 -11.914 5.290 1.00 0.00 C ATOM 574 C GLN A 38 6.548 -12.688 6.399 1.00 0.00 C ATOM 575 O GLN A 38 5.649 -13.487 6.136 1.00 0.00 O ATOM 576 CB GLN A 38 8.618 -12.543 5.002 1.00 0.00 C ATOM 577 CG GLN A 38 9.149 -12.234 3.611 1.00 0.00 C ATOM 578 CD GLN A 38 10.032 -13.339 3.065 1.00 0.00 C ATOM 579 OE1 GLN A 38 9.541 -14.346 2.555 1.00 0.00 O ATOM 580 NE2 GLN A 38 11.343 -13.155 3.168 1.00 0.00 N ATOM 0 H GLN A 38 8.268 -10.299 6.159 1.00 0.00 H new ATOM 0 HA GLN A 38 6.642 -11.965 4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.335 -12.190 5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.543 -13.624 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.310 -12.076 2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.715 -11.303 3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.706 -12.305 3.598 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.987 -13.864 2.817 1.00 0.00 H new ATOM 712 N ALA A 46 9.858 -7.601 3.600 1.00 0.00 N ATOM 713 CA ALA A 46 9.741 -8.247 2.299 1.00 0.00 C ATOM 714 C ALA A 46 10.265 -7.343 1.188 1.00 0.00 C ATOM 715 O ALA A 46 10.976 -7.796 0.291 1.00 0.00 O ATOM 716 CB ALA A 46 8.295 -8.634 2.029 1.00 0.00 C ATOM 0 HA ALA A 46 10.350 -9.151 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.223 -9.115 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.953 -9.324 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.671 -7.740 2.039 1.00 0.00 H new ATOM 722 N GLN A 47 9.909 -6.064 1.255 1.00 0.00 N ATOM 723 CA GLN A 47 10.342 -5.098 0.254 1.00 0.00 C ATOM 724 C GLN A 47 10.059 -3.672 0.715 1.00 0.00 C ATOM 725 O GLN A 47 9.241 -3.450 1.607 1.00 0.00 O ATOM 726 CB GLN A 47 9.642 -5.364 -1.080 1.00 0.00 C ATOM 727 CG GLN A 47 8.127 -5.253 -1.004 1.00 0.00 C ATOM 728 CD GLN A 47 7.487 -5.075 -2.367 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.155 -4.719 -3.338 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.184 -5.322 -2.445 1.00 0.00 N ATOM 0 H GLN A 47 9.322 -5.674 1.992 1.00 0.00 H new ATOM 0 HA GLN A 47 11.418 -5.210 0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.013 -4.658 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.908 -6.362 -1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.724 -6.149 -0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.860 -4.409 -0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.670 -5.615 -1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.698 -5.219 -3.336 1.00 0.00 H new ATOM 739 N GLN A 48 10.740 -2.710 0.100 1.00 0.00 N ATOM 740 CA GLN A 48 10.561 -1.306 0.449 1.00 0.00 C ATOM 741 C GLN A 48 9.094 -0.996 0.726 1.00 0.00 C ATOM 742 O GLN A 48 8.192 -1.487 0.047 1.00 0.00 O ATOM 743 CB GLN A 48 11.081 -0.409 -0.676 1.00 0.00 C ATOM 744 CG GLN A 48 11.439 0.996 -0.217 1.00 0.00 C ATOM 745 CD GLN A 48 12.110 1.811 -1.305 1.00 0.00 C ATOM 746 OE1 GLN A 48 12.780 1.266 -2.182 1.00 0.00 O ATOM 747 NE2 GLN A 48 11.933 3.126 -1.254 1.00 0.00 N ATOM 0 H GLN A 48 11.420 -2.877 -0.642 1.00 0.00 H new ATOM 0 HA GLN A 48 11.132 -1.108 1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.961 -0.872 -1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.324 -0.345 -1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.535 1.509 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.101 0.935 0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.370 3.536 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.360 3.726 -1.960 1.00 0.00 H new ATOM 756 N PRO A 49 8.846 -0.161 1.746 1.00 0.00 N ATOM 757 CA PRO A 49 7.489 0.233 2.136 1.00 0.00 C ATOM 758 C PRO A 49 6.831 1.143 1.104 1.00 0.00 C ATOM 759 O PRO A 49 7.464 1.554 0.131 1.00 0.00 O ATOM 760 CB PRO A 49 7.702 0.983 3.453 1.00 0.00 C ATOM 761 CG PRO A 49 9.101 1.490 3.378 1.00 0.00 C ATOM 762 CD PRO A 49 9.873 0.462 2.598 1.00 0.00 C ATOM 0 HA PRO A 49 6.824 -0.626 2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.990 1.801 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.565 0.324 4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.138 2.462 2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.522 1.621 4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.665 0.919 2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.348 -0.268 3.254 1.00 0.00 H new ATOM 770 N LEU A 50 5.559 1.455 1.324 1.00 0.00 N ATOM 771 CA LEU A 50 4.815 2.318 0.413 1.00 0.00 C ATOM 772 C LEU A 50 4.422 3.623 1.097 1.00 0.00 C ATOM 773 O LEU A 50 4.220 3.662 2.311 1.00 0.00 O ATOM 774 CB LEU A 50 3.564 1.598 -0.095 1.00 0.00 C ATOM 775 CG LEU A 50 3.763 0.670 -1.293 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.489 -0.109 -1.582 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.195 1.463 -2.517 1.00 0.00 C ATOM 0 H LEU A 50 5.021 1.124 2.125 1.00 0.00 H new ATOM 0 HA LEU A 50 5.460 2.554 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.147 1.014 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.821 2.349 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 50 4.552 -0.041 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.650 -0.764 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.223 -0.708 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.680 0.587 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.332 0.785 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.429 2.198 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.134 1.974 -2.306 1.00 0.00 H new ATOM 789 N SER A 51 4.315 4.689 0.311 1.00 0.00 N ATOM 790 CA SER A 51 3.948 5.997 0.841 1.00 0.00 C ATOM 791 C SER A 51 2.551 6.399 0.378 1.00 0.00 C ATOM 792 O SER A 51 2.394 7.292 -0.456 1.00 0.00 O ATOM 793 CB SER A 51 4.966 7.052 0.405 1.00 0.00 C ATOM 794 OG SER A 51 4.892 8.203 1.227 1.00 0.00 O ATOM 0 H SER A 51 4.477 4.673 -0.696 1.00 0.00 H new ATOM 0 HA SER A 51 3.946 5.933 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.971 6.633 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.784 7.330 -0.633 1.00 0.00 H new ATOM 0 HG SER A 51 5.712 8.279 1.758 1.00 0.00 H new ATOM 800 N LEU A 52 1.539 5.733 0.923 1.00 0.00 N ATOM 801 CA LEU A 52 0.154 6.020 0.567 1.00 0.00 C ATOM 802 C LEU A 52 -0.026 7.496 0.227 1.00 0.00 C ATOM 803 O LEU A 52 -0.793 7.848 -0.669 1.00 0.00 O ATOM 804 CB LEU A 52 -0.780 5.631 1.714 1.00 0.00 C ATOM 805 CG LEU A 52 -0.701 4.177 2.180 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.542 3.971 3.430 1.00 0.00 C ATOM 807 CD2 LEU A 52 -1.150 3.237 1.072 1.00 0.00 C ATOM 0 H LEU A 52 1.652 4.990 1.613 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.098 5.430 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.565 6.277 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.805 5.838 1.407 1.00 0.00 H new ATOM 0 HG LEU A 52 0.337 3.949 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.474 2.930 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.174 4.618 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.582 4.217 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.087 2.206 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.180 3.465 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.505 3.365 0.203 1.00 0.00 H new ATOM 819 N VAL A 53 0.687 8.355 0.948 1.00 0.00 N ATOM 820 CA VAL A 53 0.608 9.794 0.721 1.00 0.00 C ATOM 821 C VAL A 53 0.739 10.124 -0.761 1.00 0.00 C ATOM 822 O VAL A 53 1.814 9.994 -1.345 1.00 0.00 O ATOM 823 CB VAL A 53 1.702 10.546 1.502 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.541 12.049 1.334 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.668 10.159 2.973 1.00 0.00 C ATOM 0 H VAL A 53 1.326 8.080 1.694 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.370 10.118 1.077 1.00 0.00 H new ATOM 0 HB VAL A 53 2.673 10.261 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.323 12.563 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.620 12.308 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.565 12.355 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.448 10.700 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.695 10.413 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.837 9.087 3.071 1.00 0.00 H new ATOM 835 N GLY A 54 -0.365 10.553 -1.366 1.00 0.00 N ATOM 836 CA GLY A 54 -0.353 10.896 -2.776 1.00 0.00 C ATOM 837 C GLY A 54 -1.030 9.846 -3.634 1.00 0.00 C ATOM 838 O GLY A 54 -1.741 10.175 -4.585 1.00 0.00 O ATOM 0 H GLY A 54 -1.267 10.669 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.853 11.854 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.678 11.022 -3.107 1.00 0.00 H new ATOM 842 N CYS A 55 -0.809 8.579 -3.301 1.00 0.00 N ATOM 843 CA CYS A 55 -1.402 7.476 -4.050 1.00 0.00 C ATOM 844 C CYS A 55 -2.919 7.467 -3.894 1.00 0.00 C ATOM 845 O CYS A 55 -3.489 8.330 -3.227 1.00 0.00 O ATOM 846 CB CYS A 55 -0.821 6.142 -3.579 1.00 0.00 C ATOM 847 SG CYS A 55 0.963 6.176 -3.288 1.00 0.00 S ATOM 0 H CYS A 55 -0.224 8.290 -2.517 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.164 7.616 -5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.323 5.844 -2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.042 5.378 -4.324 1.00 0.00 H new ATOM 0 HG CYS A 55 1.201 6.662 -2.106 1.00 0.00 H new ATOM 853 N GLU A 56 -3.567 6.487 -4.516 1.00 0.00 N ATOM 854 CA GLU A 56 -5.018 6.368 -4.449 1.00 0.00 C ATOM 855 C GLU A 56 -5.452 4.911 -4.583 1.00 0.00 C ATOM 856 O GLU A 56 -5.103 4.235 -5.551 1.00 0.00 O ATOM 857 CB GLU A 56 -5.673 7.209 -5.546 1.00 0.00 C ATOM 858 CG GLU A 56 -7.167 6.972 -5.685 1.00 0.00 C ATOM 859 CD GLU A 56 -7.787 7.795 -6.798 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.233 7.794 -7.917 1.00 0.00 O ATOM 861 OE2 GLU A 56 -8.828 8.439 -6.549 1.00 0.00 O ATOM 0 H GLU A 56 -3.110 5.764 -5.072 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.342 6.738 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.499 8.264 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.189 6.990 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.347 5.914 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.659 7.213 -4.743 1.00 0.00 H new ATOM 868 N VAL A 57 -6.214 4.433 -3.605 1.00 0.00 N ATOM 869 CA VAL A 57 -6.696 3.057 -3.613 1.00 0.00 C ATOM 870 C VAL A 57 -8.033 2.948 -4.338 1.00 0.00 C ATOM 871 O VAL A 57 -9.006 3.605 -3.970 1.00 0.00 O ATOM 872 CB VAL A 57 -6.853 2.509 -2.182 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.296 1.054 -2.213 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.554 2.663 -1.407 1.00 0.00 C ATOM 0 H VAL A 57 -6.511 4.979 -2.796 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.950 2.463 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.624 3.088 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.402 0.684 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.253 0.976 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.551 0.458 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.683 2.271 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.761 2.111 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.285 3.718 -1.354 1.00 0.00 H new ATOM 884 N VAL A 58 -8.073 2.111 -5.370 1.00 0.00 N ATOM 885 CA VAL A 58 -9.291 1.913 -6.146 1.00 0.00 C ATOM 886 C VAL A 58 -9.641 0.433 -6.252 1.00 0.00 C ATOM 887 O VAL A 58 -8.777 -0.423 -6.441 1.00 0.00 O ATOM 888 CB VAL A 58 -9.155 2.500 -7.564 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.474 3.987 -7.559 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.759 2.247 -8.112 1.00 0.00 C ATOM 0 H VAL A 58 -7.276 1.559 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.090 2.435 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.872 2.002 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.373 4.384 -8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.495 4.139 -7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.783 4.505 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.680 2.668 -9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.022 2.718 -7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.573 1.174 -8.154 1.00 0.00 H new ATOM 900 N PRO A 59 -10.940 0.122 -6.128 1.00 0.00 N ATOM 901 CA PRO A 59 -11.435 -1.256 -6.207 1.00 0.00 C ATOM 902 C PRO A 59 -11.332 -1.829 -7.616 1.00 0.00 C ATOM 903 O PRO A 59 -12.255 -1.695 -8.420 1.00 0.00 O ATOM 904 CB PRO A 59 -12.901 -1.131 -5.787 1.00 0.00 C ATOM 905 CG PRO A 59 -13.270 0.275 -6.114 1.00 0.00 C ATOM 906 CD PRO A 59 -12.025 1.090 -5.901 1.00 0.00 C ATOM 0 HA PRO A 59 -10.854 -1.934 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.529 -1.841 -6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.027 -1.336 -4.724 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.619 0.358 -7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.080 0.625 -5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.969 1.927 -6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.986 1.509 -4.895 1.00 0.00 H new ATOM 914 N ASP A 60 -10.204 -2.467 -7.909 1.00 0.00 N ATOM 915 CA ASP A 60 -9.981 -3.062 -9.222 1.00 0.00 C ATOM 916 C ASP A 60 -10.075 -4.583 -9.152 1.00 0.00 C ATOM 917 O ASP A 60 -9.069 -5.293 -9.163 1.00 0.00 O ATOM 918 CB ASP A 60 -8.614 -2.647 -9.768 1.00 0.00 C ATOM 919 CG ASP A 60 -8.529 -2.779 -11.276 1.00 0.00 C ATOM 920 OD1 ASP A 60 -8.234 -3.892 -11.758 1.00 0.00 O ATOM 921 OD2 ASP A 60 -8.756 -1.768 -11.974 1.00 0.00 O ATOM 0 H ASP A 60 -9.430 -2.585 -7.255 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.757 -2.699 -9.895 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.411 -1.614 -9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.840 -3.262 -9.308 1.00 0.00 H new ATOM 926 N PRO A 61 -11.312 -5.097 -9.078 1.00 0.00 N ATOM 927 CA PRO A 61 -11.566 -6.539 -9.004 1.00 0.00 C ATOM 928 C PRO A 61 -11.243 -7.252 -10.312 1.00 0.00 C ATOM 929 O PRO A 61 -10.852 -6.621 -11.295 1.00 0.00 O ATOM 930 CB PRO A 61 -13.066 -6.619 -8.708 1.00 0.00 C ATOM 931 CG PRO A 61 -13.627 -5.349 -9.247 1.00 0.00 C ATOM 932 CD PRO A 61 -12.556 -4.311 -9.060 1.00 0.00 C ATOM 0 HA PRO A 61 -10.942 -7.025 -8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.518 -7.487 -9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.254 -6.712 -7.638 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.889 -5.454 -10.300 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.538 -5.069 -8.718 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.573 -3.568 -9.857 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.678 -3.773 -8.120 1.00 0.00 H new ATOM 940 N SER A 62 -11.408 -8.571 -10.319 1.00 0.00 N ATOM 941 CA SER A 62 -11.130 -9.371 -11.506 1.00 0.00 C ATOM 942 C SER A 62 -12.159 -10.487 -11.662 1.00 0.00 C ATOM 943 O SER A 62 -12.939 -10.778 -10.755 1.00 0.00 O ATOM 944 CB SER A 62 -9.723 -9.966 -11.428 1.00 0.00 C ATOM 945 OG SER A 62 -8.808 -9.217 -12.209 1.00 0.00 O ATOM 0 H SER A 62 -11.733 -9.108 -9.515 1.00 0.00 H new ATOM 0 HA SER A 62 -11.193 -8.718 -12.377 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.390 -9.985 -10.390 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.742 -10.999 -11.775 1.00 0.00 H new ATOM 0 HG SER A 62 -7.916 -9.617 -12.141 1.00 0.00 H new ATOM 951 N PRO A 63 -12.161 -11.127 -12.841 1.00 0.00 N ATOM 952 CA PRO A 63 -13.088 -12.221 -13.145 1.00 0.00 C ATOM 953 C PRO A 63 -12.775 -13.484 -12.349 1.00 0.00 C ATOM 954 O PRO A 63 -13.414 -14.520 -12.535 1.00 0.00 O ATOM 955 CB PRO A 63 -12.870 -12.465 -14.641 1.00 0.00 C ATOM 956 CG PRO A 63 -11.485 -11.986 -14.905 1.00 0.00 C ATOM 957 CD PRO A 63 -11.259 -10.832 -13.967 1.00 0.00 C ATOM 0 HA PRO A 63 -14.116 -11.968 -12.885 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.978 -13.521 -14.890 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.599 -11.920 -15.241 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.758 -12.779 -14.730 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.372 -11.673 -15.943 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.219 -10.774 -13.645 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.501 -9.879 -14.437 1.00 0.00 H new ATOM 965 N ASP A 64 -11.791 -13.390 -11.462 1.00 0.00 N ATOM 966 CA ASP A 64 -11.395 -14.524 -10.636 1.00 0.00 C ATOM 967 C ASP A 64 -11.425 -14.156 -9.156 1.00 0.00 C ATOM 968 O ASP A 64 -11.344 -15.025 -8.287 1.00 0.00 O ATOM 969 CB ASP A 64 -9.996 -15.003 -11.027 1.00 0.00 C ATOM 970 CG ASP A 64 -10.022 -15.989 -12.179 1.00 0.00 C ATOM 971 OD1 ASP A 64 -10.618 -15.661 -13.226 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.446 -17.086 -12.033 1.00 0.00 O ATOM 0 H ASP A 64 -11.253 -12.540 -11.297 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.108 -15.331 -10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.385 -14.144 -11.302 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.521 -15.469 -10.164 1.00 0.00 H new ATOM 977 N HIS A 65 -11.541 -12.861 -8.876 1.00 0.00 N ATOM 978 CA HIS A 65 -11.581 -12.377 -7.501 1.00 0.00 C ATOM 979 C HIS A 65 -12.107 -10.947 -7.443 1.00 0.00 C ATOM 980 O HIS A 65 -11.406 -10.001 -7.807 1.00 0.00 O ATOM 981 CB HIS A 65 -10.189 -12.447 -6.872 1.00 0.00 C ATOM 982 CG HIS A 65 -9.875 -13.775 -6.256 1.00 0.00 C ATOM 983 ND1 HIS A 65 -10.409 -14.192 -5.055 1.00 0.00 N ATOM 984 CD2 HIS A 65 -9.079 -14.784 -6.682 1.00 0.00 C ATOM 985 CE1 HIS A 65 -9.953 -15.399 -4.768 1.00 0.00 C ATOM 986 NE2 HIS A 65 -9.144 -15.780 -5.740 1.00 0.00 N ATOM 0 H HIS A 65 -11.609 -12.129 -9.583 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.259 -13.017 -6.937 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.443 -12.225 -7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.105 -11.673 -6.109 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.500 -14.802 -7.594 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.200 -15.975 -3.889 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -8.648 -16.670 -5.784 1.00 0.00 H new ATOM 995 N LEU A 66 -13.345 -10.795 -6.985 1.00 0.00 N ATOM 996 CA LEU A 66 -13.966 -9.479 -6.881 1.00 0.00 C ATOM 997 C LEU A 66 -13.540 -8.776 -5.596 1.00 0.00 C ATOM 998 O LEU A 66 -14.215 -7.861 -5.124 1.00 0.00 O ATOM 999 CB LEU A 66 -15.489 -9.607 -6.925 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.048 -10.642 -7.901 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.365 -11.205 -7.387 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.231 -10.029 -9.282 1.00 0.00 C ATOM 0 H LEU A 66 -13.938 -11.567 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.634 -8.880 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.842 -9.854 -5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.908 -8.634 -7.180 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.333 -11.461 -7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.748 -11.940 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.204 -11.682 -6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.088 -10.397 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.630 -10.780 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.925 -9.191 -9.219 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.269 -9.676 -9.654 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.415 -9.208 -5.037 1.00 0.00 N ATOM 1015 CA TYR A 67 -11.899 -8.621 -3.806 1.00 0.00 C ATOM 1016 C TYR A 67 -10.436 -8.217 -3.967 1.00 0.00 C ATOM 1017 O TYR A 67 -9.623 -8.415 -3.065 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.043 -9.607 -2.646 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.257 -10.501 -2.758 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.505 -9.976 -3.069 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.155 -11.872 -2.555 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.617 -10.789 -3.171 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.262 -12.693 -2.657 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.490 -12.147 -2.965 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.595 -12.960 -3.068 1.00 0.00 O ATOM 0 H TYR A 67 -11.843 -9.962 -5.417 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.482 -7.727 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.149 -10.228 -2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.098 -9.049 -1.711 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.608 -8.914 -3.234 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.195 -12.303 -2.314 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.580 -10.364 -3.411 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.166 -13.757 -2.496 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.335 -13.889 -2.895 1.00 0.00 H new ATOM 1035 N SER A 68 -10.110 -7.649 -5.124 1.00 0.00 N ATOM 1036 CA SER A 68 -8.745 -7.220 -5.406 1.00 0.00 C ATOM 1037 C SER A 68 -8.694 -5.721 -5.687 1.00 0.00 C ATOM 1038 O SER A 68 -9.316 -5.233 -6.631 1.00 0.00 O ATOM 1039 CB SER A 68 -8.181 -7.993 -6.600 1.00 0.00 C ATOM 1040 OG SER A 68 -9.142 -8.105 -7.635 1.00 0.00 O ATOM 0 H SER A 68 -10.772 -7.475 -5.880 1.00 0.00 H new ATOM 0 HA SER A 68 -8.136 -7.429 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.292 -7.487 -6.978 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.870 -8.987 -6.279 1.00 0.00 H new ATOM 0 HG SER A 68 -9.762 -8.835 -7.428 1.00 0.00 H new ATOM 1046 N PHE A 69 -7.949 -4.996 -4.860 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.817 -3.552 -5.017 1.00 0.00 C ATOM 1048 C PHE A 69 -6.380 -3.172 -5.361 1.00 0.00 C ATOM 1049 O PHE A 69 -5.440 -3.902 -5.045 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.253 -2.836 -3.737 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.743 -3.485 -2.483 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.336 -4.638 -1.993 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.669 -2.944 -1.794 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.868 -5.236 -0.838 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.197 -3.539 -0.640 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.796 -4.687 -0.162 1.00 0.00 C ATOM 0 H PHE A 69 -7.427 -5.384 -4.074 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.464 -3.240 -5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.903 -1.804 -3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.342 -2.802 -3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.172 -5.074 -2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.195 -2.047 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.341 -6.132 -0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.360 -3.106 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.427 -5.155 0.739 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.217 -2.024 -6.011 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.895 -1.547 -6.399 1.00 0.00 C ATOM 1068 C ARG A 70 -4.741 -0.061 -6.091 1.00 0.00 C ATOM 1069 O ARG A 70 -5.730 0.658 -5.941 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.657 -1.797 -7.890 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.740 -1.217 -8.785 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.456 -1.491 -10.253 1.00 0.00 C ATOM 1073 NE ARG A 70 -5.992 -0.445 -11.120 1.00 0.00 N ATOM 1074 CZ ARG A 70 -6.021 -0.531 -12.445 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.547 -1.610 -13.053 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -6.524 0.463 -13.165 1.00 0.00 N ATOM 0 H ARG A 70 -6.984 -1.407 -6.280 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.153 -2.099 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.696 -1.368 -8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.591 -2.871 -8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.705 -1.645 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.811 -0.142 -8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.380 -1.571 -10.405 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.890 -2.451 -10.533 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.365 0.398 -10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.159 -2.376 -12.503 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.570 -1.674 -14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.889 1.295 -12.701 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.546 0.396 -14.183 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.496 0.393 -5.996 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.213 1.793 -5.706 1.00 0.00 C ATOM 1092 C ILE A 71 -2.631 2.500 -6.925 1.00 0.00 C ATOM 1093 O ILE A 71 -1.922 1.893 -7.729 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.233 1.937 -4.526 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.455 0.814 -3.511 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.396 3.297 -3.865 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.454 0.818 -2.377 1.00 0.00 C ATOM 0 H ILE A 71 -2.667 -0.189 -6.116 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.162 2.258 -5.438 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.215 1.861 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.460 0.902 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.405 -0.145 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.697 3.383 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.193 4.082 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.416 3.401 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.672 -0.005 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.448 0.699 -2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.520 1.763 -1.837 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.933 3.787 -7.055 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.438 4.580 -8.175 1.00 0.00 C ATOM 1111 C LEU A 72 -2.074 5.991 -7.726 1.00 0.00 C ATOM 1112 O LEU A 72 -2.745 6.574 -6.873 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.488 4.641 -9.286 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.256 3.346 -9.555 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.678 3.651 -10.000 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.536 2.507 -10.602 1.00 0.00 C ATOM 0 H LEU A 72 -3.518 4.304 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.539 4.098 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.207 5.421 -9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.994 4.946 -10.209 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.302 2.774 -8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.209 2.718 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.192 4.211 -9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.654 4.244 -10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.096 1.589 -10.781 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.459 3.072 -11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.537 2.258 -10.245 1.00 0.00 H new ATOM 1128 N HIS A 73 -1.010 6.536 -8.306 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.559 7.881 -7.967 1.00 0.00 C ATOM 1130 C HIS A 73 -1.011 8.887 -9.021 1.00 0.00 C ATOM 1131 O HIS A 73 -1.849 9.749 -8.753 1.00 0.00 O ATOM 1132 CB HIS A 73 0.964 7.913 -7.836 1.00 0.00 C ATOM 1133 CG HIS A 73 1.504 9.256 -7.452 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.653 9.790 -7.999 1.00 0.00 N ATOM 1135 CD2 HIS A 73 1.046 10.177 -6.572 1.00 0.00 C ATOM 1136 CE1 HIS A 73 2.878 10.979 -7.470 1.00 0.00 C ATOM 1137 NE2 HIS A 73 1.917 11.238 -6.602 1.00 0.00 N ATOM 0 H HIS A 73 -0.444 6.067 -9.013 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.005 8.157 -7.011 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.272 7.180 -7.090 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.408 7.609 -8.784 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.160 10.093 -5.960 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.707 11.629 -7.707 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.835 12.088 -6.044 1.00 0.00 H new ATOM 1146 N LYS A 74 -0.450 8.774 -10.220 1.00 0.00 N ATOM 1147 CA LYS A 74 -0.795 9.672 -11.315 1.00 0.00 C ATOM 1148 C LYS A 74 -1.277 8.888 -12.532 1.00 0.00 C ATOM 1149 O LYS A 74 -0.920 9.202 -13.666 1.00 0.00 O ATOM 1150 CB LYS A 74 0.411 10.533 -11.696 1.00 0.00 C ATOM 1151 CG LYS A 74 1.314 10.868 -10.521 1.00 0.00 C ATOM 1152 CD LYS A 74 0.920 12.186 -9.874 1.00 0.00 C ATOM 1153 CE LYS A 74 1.600 13.365 -10.552 1.00 0.00 C ATOM 1154 NZ LYS A 74 1.273 14.654 -9.883 1.00 0.00 N ATOM 0 H LYS A 74 0.247 8.068 -10.458 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.604 10.319 -10.978 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.994 10.011 -12.455 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.057 11.460 -12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.262 10.069 -9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.349 10.923 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.162 12.309 -9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.188 12.168 -8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.680 13.215 -10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.292 13.410 -11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.756 15.433 -10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.245 14.810 -9.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.589 14.621 -8.893 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.092 7.866 -12.287 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.611 7.054 -13.372 1.00 0.00 C ATOM 1170 C GLY A 75 -1.852 5.753 -13.536 1.00 0.00 C ATOM 1171 O GLY A 75 -2.229 4.905 -14.343 1.00 0.00 O ATOM 0 H GLY A 75 -2.402 7.586 -11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.663 6.837 -13.188 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.560 7.620 -14.302 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.778 5.595 -12.769 1.00 0.00 N ATOM 1176 CA GLU A 76 0.037 4.388 -12.835 1.00 0.00 C ATOM 1177 C GLU A 76 -0.319 3.427 -11.704 1.00 0.00 C ATOM 1178 O GLU A 76 -1.142 3.743 -10.846 1.00 0.00 O ATOM 1179 CB GLU A 76 1.524 4.744 -12.767 1.00 0.00 C ATOM 1180 CG GLU A 76 2.190 4.843 -14.129 1.00 0.00 C ATOM 1181 CD GLU A 76 3.434 5.710 -14.109 1.00 0.00 C ATOM 1182 OE1 GLU A 76 4.337 5.431 -13.293 1.00 0.00 O ATOM 1183 OE2 GLU A 76 3.504 6.666 -14.908 1.00 0.00 O ATOM 0 H GLU A 76 -0.452 6.288 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.168 3.895 -13.785 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.638 5.695 -12.247 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.042 3.991 -12.173 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.454 3.843 -14.474 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.479 5.251 -14.848 1.00 0.00 H new ATOM 1190 N GLU A 77 0.306 2.254 -11.713 1.00 0.00 N ATOM 1191 CA GLU A 77 0.053 1.247 -10.689 1.00 0.00 C ATOM 1192 C GLU A 77 1.287 1.039 -9.815 1.00 0.00 C ATOM 1193 O GLU A 77 2.354 0.667 -10.306 1.00 0.00 O ATOM 1194 CB GLU A 77 -0.357 -0.077 -11.335 1.00 0.00 C ATOM 1195 CG GLU A 77 -0.649 -1.180 -10.330 1.00 0.00 C ATOM 1196 CD GLU A 77 -0.827 -2.535 -10.987 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -1.455 -2.593 -12.065 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -0.339 -3.537 -10.423 1.00 0.00 O ATOM 0 H GLU A 77 0.990 1.978 -12.417 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.762 1.603 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.242 0.087 -11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.438 -0.407 -12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.166 -1.234 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.552 -0.929 -9.773 1.00 0.00 H new ATOM 1205 N LEU A 78 1.134 1.282 -8.518 1.00 0.00 N ATOM 1206 CA LEU A 78 2.234 1.121 -7.574 1.00 0.00 C ATOM 1207 C LEU A 78 2.231 -0.278 -6.967 1.00 0.00 C ATOM 1208 O LEU A 78 3.262 -0.949 -6.924 1.00 0.00 O ATOM 1209 CB LEU A 78 2.139 2.171 -6.466 1.00 0.00 C ATOM 1210 CG LEU A 78 2.101 3.629 -6.924 1.00 0.00 C ATOM 1211 CD1 LEU A 78 2.013 4.563 -5.727 1.00 0.00 C ATOM 1212 CD2 LEU A 78 3.324 3.955 -7.768 1.00 0.00 C ATOM 0 H LEU A 78 0.258 1.591 -8.096 1.00 0.00 H new ATOM 0 HA LEU A 78 3.169 1.259 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.242 1.972 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.991 2.043 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 78 1.212 3.774 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.987 5.596 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.106 4.346 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.883 4.417 -5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.280 4.997 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.227 3.793 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.343 3.309 -8.646 1.00 0.00 H new ATOM 1224 N ALA A 79 1.065 -0.712 -6.500 1.00 0.00 N ATOM 1225 CA ALA A 79 0.927 -2.033 -5.899 1.00 0.00 C ATOM 1226 C ALA A 79 -0.480 -2.584 -6.102 1.00 0.00 C ATOM 1227 O ALA A 79 -1.405 -1.845 -6.440 1.00 0.00 O ATOM 1228 CB ALA A 79 1.265 -1.976 -4.417 1.00 0.00 C ATOM 0 H ALA A 79 0.202 -0.168 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 79 1.627 -2.706 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.158 -2.969 -3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.292 -1.633 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.588 -1.285 -3.916 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.636 -3.887 -5.894 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.931 -4.538 -6.054 1.00 0.00 C ATOM 1236 C LYS A 80 -2.171 -5.552 -4.940 1.00 0.00 C ATOM 1237 O LYS A 80 -1.512 -6.591 -4.879 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.011 -5.233 -7.415 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.329 -5.949 -7.656 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.671 -6.006 -9.135 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.961 -6.774 -9.380 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.483 -6.556 -10.757 1.00 0.00 N ATOM 0 H LYS A 80 0.119 -4.513 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.704 -3.772 -5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.860 -4.493 -8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.196 -5.953 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.273 -6.961 -7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.126 -5.437 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.769 -4.993 -9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.855 -6.480 -9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.786 -7.838 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.712 -6.464 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.363 -7.096 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.675 -5.544 -10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.777 -6.876 -11.451 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.118 -5.245 -4.061 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.447 -6.130 -2.949 1.00 0.00 C ATOM 1258 C LEU A 81 -4.769 -6.849 -3.197 1.00 0.00 C ATOM 1259 O LEU A 81 -5.544 -6.458 -4.069 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.522 -5.336 -1.644 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.230 -4.650 -1.200 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.033 -5.555 -1.448 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.056 -3.322 -1.922 1.00 0.00 C ATOM 0 H LEU A 81 -3.672 -4.389 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.658 -6.878 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.296 -4.576 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.843 -6.010 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.295 -4.453 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.122 -5.050 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.154 -6.480 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.964 -5.784 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.131 -2.848 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.013 -3.495 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.899 -2.670 -1.693 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.020 -7.900 -2.423 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.249 -8.672 -2.559 1.00 0.00 C ATOM 1277 C GLU A 82 -6.722 -9.186 -1.202 1.00 0.00 C ATOM 1278 O GLU A 82 -5.925 -9.666 -0.397 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.037 -9.847 -3.516 1.00 0.00 C ATOM 1280 CG GLU A 82 -7.039 -10.974 -3.329 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.972 -12.005 -4.438 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -7.099 -11.615 -5.618 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -6.794 -13.201 -4.128 1.00 0.00 O ATOM 0 H GLU A 82 -4.389 -8.236 -1.696 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.017 -8.015 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.098 -9.484 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.030 -10.241 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.856 -11.463 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.045 -10.557 -3.286 1.00 0.00 H new ATOM 1290 N ALA A 83 -8.024 -9.081 -0.958 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.604 -9.535 0.300 1.00 0.00 C ATOM 1292 C ALA A 83 -9.151 -10.953 0.171 1.00 0.00 C ATOM 1293 O ALA A 83 -8.986 -11.602 -0.861 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.702 -8.583 0.750 1.00 0.00 C ATOM 0 H ALA A 83 -8.697 -8.686 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.816 -9.544 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.126 -8.935 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.284 -7.586 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.484 -8.545 -0.008 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.803 -11.428 1.227 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.376 -12.769 1.233 1.00 0.00 C ATOM 1302 C LYS A 84 -11.853 -12.732 0.855 1.00 0.00 C ATOM 1303 O LYS A 84 -12.384 -13.689 0.291 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.208 -13.412 2.612 1.00 0.00 C ATOM 1305 CG LYS A 84 -11.131 -12.832 3.670 1.00 0.00 C ATOM 1306 CD LYS A 84 -12.450 -13.584 3.730 1.00 0.00 C ATOM 1307 CE LYS A 84 -12.358 -14.800 4.639 1.00 0.00 C ATOM 1308 NZ LYS A 84 -11.405 -15.815 4.112 1.00 0.00 N ATOM 0 H LYS A 84 -9.948 -10.904 2.090 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.844 -13.367 0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.392 -14.483 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.175 -13.290 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.642 -12.874 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.320 -11.781 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.234 -12.918 4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.736 -13.899 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.041 -14.487 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.345 -15.249 4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.587 -16.732 4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.531 -15.909 3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.430 -15.515 4.315 1.00 0.00 H new ATOM 1322 N SER A 85 -12.512 -11.620 1.168 1.00 0.00 N ATOM 1323 CA SER A 85 -13.928 -11.459 0.863 1.00 0.00 C ATOM 1324 C SER A 85 -14.270 -9.991 0.629 1.00 0.00 C ATOM 1325 O SER A 85 -13.476 -9.101 0.933 1.00 0.00 O ATOM 1326 CB SER A 85 -14.784 -12.019 2.002 1.00 0.00 C ATOM 1327 OG SER A 85 -14.824 -13.435 1.961 1.00 0.00 O ATOM 0 H SER A 85 -12.087 -10.818 1.633 1.00 0.00 H new ATOM 0 HA SER A 85 -14.143 -12.014 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.380 -11.691 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.796 -11.621 1.930 1.00 0.00 H new ATOM 0 HG SER A 85 -15.375 -13.768 2.699 1.00 0.00 H new ATOM 1333 N SER A 86 -15.459 -9.746 0.087 1.00 0.00 N ATOM 1334 CA SER A 86 -15.906 -8.386 -0.193 1.00 0.00 C ATOM 1335 C SER A 86 -15.724 -7.493 1.030 1.00 0.00 C ATOM 1336 O SER A 86 -15.234 -6.369 0.923 1.00 0.00 O ATOM 1337 CB SER A 86 -17.374 -8.388 -0.623 1.00 0.00 C ATOM 1338 OG SER A 86 -17.546 -9.082 -1.847 1.00 0.00 O ATOM 0 H SER A 86 -16.130 -10.471 -0.167 1.00 0.00 H new ATOM 0 HA SER A 86 -15.297 -7.989 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.983 -8.854 0.152 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.726 -7.362 -0.730 1.00 0.00 H new ATOM 0 HG SER A 86 -16.853 -9.770 -1.933 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.122 -8.002 2.192 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.003 -7.249 3.436 1.00 0.00 C ATOM 1346 C GLU A 87 -14.555 -6.843 3.690 1.00 0.00 C ATOM 1347 O GLU A 87 -14.250 -5.662 3.850 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.526 -8.079 4.611 1.00 0.00 C ATOM 1349 CG GLU A 87 -17.971 -8.520 4.450 1.00 0.00 C ATOM 1350 CD GLU A 87 -18.382 -9.558 5.476 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.556 -9.187 6.656 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -18.529 -10.739 5.101 1.00 0.00 O ATOM 0 H GLU A 87 -16.529 -8.931 2.298 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.604 -6.344 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.897 -8.961 4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.433 -7.495 5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.624 -7.651 4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.113 -8.928 3.449 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.666 -7.832 3.725 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.250 -7.577 3.962 1.00 0.00 C ATOM 1361 C GLU A 88 -11.756 -6.414 3.105 1.00 0.00 C ATOM 1362 O GLU A 88 -11.221 -5.434 3.621 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.427 -8.831 3.662 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.075 -8.852 4.355 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.539 -10.257 4.547 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -9.996 -10.944 5.485 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.663 -10.671 3.759 1.00 0.00 O ATOM 0 H GLU A 88 -13.902 -8.816 3.592 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.125 -7.311 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.995 -9.710 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.275 -8.907 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.362 -8.272 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.161 -8.364 5.326 1.00 0.00 H new ATOM 1374 N MET A 89 -11.940 -6.533 1.794 1.00 0.00 N ATOM 1375 CA MET A 89 -11.514 -5.492 0.866 1.00 0.00 C ATOM 1376 C MET A 89 -12.189 -4.164 1.192 1.00 0.00 C ATOM 1377 O MET A 89 -11.609 -3.097 0.994 1.00 0.00 O ATOM 1378 CB MET A 89 -11.833 -5.900 -0.573 1.00 0.00 C ATOM 1379 CG MET A 89 -13.321 -5.911 -0.886 1.00 0.00 C ATOM 1380 SD MET A 89 -13.664 -5.647 -2.637 1.00 0.00 S ATOM 1381 CE MET A 89 -12.782 -4.116 -2.928 1.00 0.00 C ATOM 0 H MET A 89 -12.381 -7.339 1.351 1.00 0.00 H new ATOM 0 HA MET A 89 -10.436 -5.367 0.970 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.331 -5.214 -1.256 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.423 -6.893 -0.760 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.747 -6.865 -0.576 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.817 -5.136 -0.302 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.388 -3.460 -3.554 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.581 -3.625 -1.976 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.839 -4.329 -3.432 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.419 -4.237 1.692 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.152 -3.033 2.037 1.00 0.00 C ATOM 1393 C GLY A 90 -13.598 -2.350 3.271 1.00 0.00 C ATOM 1394 O GLY A 90 -13.762 -1.142 3.448 1.00 0.00 O ATOM 0 H GLY A 90 -13.921 -5.108 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.121 -2.339 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.199 -3.284 2.204 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.942 -3.124 4.130 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.363 -2.586 5.356 1.00 0.00 C ATOM 1400 C HIS A 91 -11.016 -1.927 5.077 1.00 0.00 C ATOM 1401 O HIS A 91 -10.629 -0.973 5.752 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.197 -3.695 6.395 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.144 -3.403 7.419 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.427 -2.873 8.660 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.801 -3.571 7.382 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.304 -2.726 9.341 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.303 -3.143 8.588 1.00 0.00 N ATOM 0 H HIS A 91 -12.798 -4.125 4.000 1.00 0.00 H new ATOM 0 HA HIS A 91 -13.042 -1.830 5.749 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.150 -3.854 6.900 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.948 -4.625 5.885 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.228 -3.968 6.557 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.220 -2.332 10.343 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.319 -3.147 8.858 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.306 -2.444 4.081 1.00 0.00 N ATOM 1417 CA TRP A 92 -9.000 -1.906 3.714 1.00 0.00 C ATOM 1418 C TRP A 92 -9.148 -0.704 2.787 1.00 0.00 C ATOM 1419 O TRP A 92 -8.419 0.281 2.911 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.153 -2.985 3.038 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.428 -3.865 4.011 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.874 -5.042 4.541 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.129 -3.638 4.570 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -6.931 -5.560 5.396 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.851 -4.718 5.430 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.174 -2.628 4.426 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.659 -4.814 6.143 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -3.991 -2.725 5.134 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.742 -3.811 5.983 1.00 0.00 C ATOM 0 H TRP A 92 -10.612 -3.234 3.513 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.500 -1.579 4.626 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.796 -3.602 2.410 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.427 -2.508 2.379 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.828 -5.499 4.321 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.021 -6.430 5.920 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.357 -1.787 3.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.465 -5.650 6.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.246 -1.950 5.031 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.807 -3.858 6.522 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.095 -0.791 1.859 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.338 0.291 0.911 1.00 0.00 C ATOM 1442 C LEU A 93 -10.365 1.641 1.620 1.00 0.00 C ATOM 1443 O LEU A 93 -9.546 2.516 1.342 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.659 0.062 0.175 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.585 -0.802 -1.085 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.937 -0.849 -1.780 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.515 -0.276 -2.030 1.00 0.00 C ATOM 0 H LEU A 93 -10.707 -1.599 1.743 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.522 0.298 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.362 -0.401 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.073 1.033 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.315 -1.817 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.865 -1.468 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.679 -1.273 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.237 0.161 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.476 -0.903 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.754 0.748 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.547 -0.296 -1.530 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.312 1.802 2.540 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.426 3.047 3.277 1.00 0.00 C ATOM 1461 C GLY A 94 -10.235 3.298 4.180 1.00 0.00 C ATOM 1462 O GLY A 94 -9.850 4.446 4.408 1.00 0.00 O ATOM 0 H GLY A 94 -12.002 1.093 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.525 3.874 2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.336 3.028 3.877 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.650 2.224 4.697 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.496 2.332 5.583 1.00 0.00 C ATOM 1468 C LEU A 95 -7.316 2.978 4.863 1.00 0.00 C ATOM 1469 O LEU A 95 -6.630 3.836 5.419 1.00 0.00 O ATOM 1470 CB LEU A 95 -8.096 0.951 6.104 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.701 0.844 6.721 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.749 1.166 8.207 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -6.121 -0.544 6.492 1.00 0.00 C ATOM 0 H LEU A 95 -9.956 1.267 4.518 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.774 2.964 6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.827 0.641 6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.162 0.241 5.280 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.052 1.571 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.747 1.085 8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.121 2.181 8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.413 0.463 8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.128 -0.602 6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.769 -1.290 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.050 -0.736 5.421 1.00 0.00 H new ATOM 1485 N LEU A 96 -7.088 2.562 3.622 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.992 3.102 2.824 1.00 0.00 C ATOM 1487 C LEU A 96 -6.371 4.451 2.221 1.00 0.00 C ATOM 1488 O LEU A 96 -5.645 5.435 2.369 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.614 2.121 1.712 1.00 0.00 C ATOM 1490 CG LEU A 96 -5.123 0.746 2.168 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.366 -0.293 1.086 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.648 0.802 2.536 1.00 0.00 C ATOM 0 H LEU A 96 -7.647 1.853 3.147 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.134 3.247 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.483 1.980 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.836 2.578 1.101 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.687 0.455 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.010 -1.265 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.433 -0.352 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.829 -0.008 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.316 -0.185 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.068 1.115 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.502 1.516 3.346 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.512 4.490 1.542 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.989 5.719 0.917 1.00 0.00 C ATOM 1506 C LEU A 97 -7.758 6.918 1.831 1.00 0.00 C ATOM 1507 O LEU A 97 -7.118 7.895 1.441 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.476 5.599 0.580 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.807 5.059 -0.812 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.134 4.317 -0.796 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.839 6.191 -1.829 1.00 0.00 C ATOM 0 H LEU A 97 -8.124 3.685 1.410 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.426 5.873 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.945 4.951 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.932 6.583 0.684 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.026 4.357 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.352 3.940 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.075 3.482 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.927 4.996 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.076 5.789 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.599 6.917 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.865 6.679 -1.861 1.00 0.00 H new ATOM 1523 N SER A 98 -8.283 6.837 3.050 1.00 0.00 N ATOM 1524 CA SER A 98 -8.136 7.917 4.019 1.00 0.00 C ATOM 1525 C SER A 98 -6.674 8.333 4.151 1.00 0.00 C ATOM 1526 O SER A 98 -6.355 9.521 4.164 1.00 0.00 O ATOM 1527 CB SER A 98 -8.681 7.485 5.381 1.00 0.00 C ATOM 1528 OG SER A 98 -8.690 8.569 6.294 1.00 0.00 O ATOM 0 H SER A 98 -8.814 6.035 3.390 1.00 0.00 H new ATOM 0 HA SER A 98 -8.708 8.774 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.692 7.095 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.071 6.675 5.780 1.00 0.00 H new ATOM 0 HG SER A 98 -9.044 8.267 7.157 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.791 7.344 4.249 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.363 7.607 4.381 1.00 0.00 C ATOM 1536 C GLU A 99 -3.810 8.259 3.117 1.00 0.00 C ATOM 1537 O GLU A 99 -3.246 9.352 3.166 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.607 6.308 4.670 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.981 5.669 5.997 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.620 6.538 7.185 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -4.382 7.481 7.485 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.575 6.275 7.817 1.00 0.00 O ATOM 0 H GLU A 99 -6.039 6.355 4.239 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.222 8.295 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.802 5.598 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.536 6.511 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.052 5.469 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.476 4.707 6.088 1.00 0.00 H new ATOM 1549 N SER A 100 -3.976 7.580 1.987 1.00 0.00 N ATOM 1550 CA SER A 100 -3.491 8.091 0.710 1.00 0.00 C ATOM 1551 C SER A 100 -4.061 9.477 0.427 1.00 0.00 C ATOM 1552 O SER A 100 -4.995 9.924 1.091 1.00 0.00 O ATOM 1553 CB SER A 100 -3.865 7.132 -0.422 1.00 0.00 C ATOM 1554 OG SER A 100 -3.675 5.783 -0.032 1.00 0.00 O ATOM 0 H SER A 100 -4.443 6.675 1.929 1.00 0.00 H new ATOM 0 HA SER A 100 -2.405 8.169 0.767 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.906 7.288 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.258 7.348 -1.301 1.00 0.00 H new ATOM 0 HG SER A 100 -3.768 5.200 -0.814 1.00 0.00 H new