USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 865 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 64 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -173:sc= -3.16! (180deg=-3.38!) USER MOD Set 2.1: A 47 GLN : amide:sc= -1.73! C(o=-2.7!,f=-3.3!) USER MOD Set 2.2: A 100 MET CE :methyl -165:sc= -0.941 (180deg=-1.51!) USER MOD Set 3.1: A 69 CYS SG : rot -16:sc= -4.25! USER MOD Set 3.2: A 107 ASN : amide:sc= -2.26! C(o=-6.5!,f=-14!) USER MOD Set 4.1: A 55 THR OG1 : rot 180:sc= 0.118 USER MOD Set 4.2: A 56 GLN :FLIP amide:sc= -3.93! C(o=-5.4!,f=-3.8!) USER MOD Set 5.1: A 52 ASN : amide:sc= -2.07! C(o=-5.1!,f=-16!) USER MOD Set 5.2: A 54 THR OG1 : rot 13:sc= -1.59 USER MOD Set 5.3: A 59 MET CE :methyl 171:sc= -1.42 (180deg=-0.00945) USER MOD Set 6.1: A 20 THR OG1 : rot 180:sc= -0.552 USER MOD Set 6.2: A 98 THR OG1 : rot 90:sc= 0.0542 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -3.36 F(o=-5.8!,f=-3.4) USER MOD Single : A 27 THR OG1 : rot -120:sc= -0.0237 USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= -0.509 (180deg=-2.67!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.65! X(o=-1.6!,f=-1.4) USER MOD Single : A 42 ASN :FLIP amide:sc= -1.67 F(o=-3.9,f=-1.7) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 136:sc= -0.735 (180deg=-1.86) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.0311 (180deg=-0.674) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -5.42! C(o=-5.4!,f=-8.3!) USER MOD Single : A 66 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.24) USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.384) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 124:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -153:sc= -1.07 (180deg=-1.81) USER MOD Single : A 81 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.7!) USER MOD Single : A 82 GLN :FLIP amide:sc= -1.4! C(o=-2.2!,f=-1.4!) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.77 F(o=-13!,f=-3.8) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 121:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 153:sc= -0.173 (180deg=-0.904) USER MOD Single : A 113 MET CE :methyl -170:sc= -0.0498 (180deg=-0.0687) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 14 0.373 -7.975 -3.572 1.00 0.00 N ATOM 157 CA TYR A 14 0.495 -7.076 -4.714 1.00 0.00 C ATOM 158 C TYR A 14 -0.635 -7.322 -5.709 1.00 0.00 C ATOM 159 O TYR A 14 -1.273 -8.375 -5.689 1.00 0.00 O ATOM 160 CB TYR A 14 1.843 -7.288 -5.407 1.00 0.00 C ATOM 161 CG TYR A 14 2.960 -6.977 -4.441 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.315 -5.647 -4.187 1.00 0.00 C ATOM 163 CD2 TYR A 14 3.642 -8.018 -3.800 1.00 0.00 C ATOM 164 CE1 TYR A 14 4.352 -5.357 -3.292 1.00 0.00 C ATOM 165 CE2 TYR A 14 4.679 -7.728 -2.904 1.00 0.00 C ATOM 166 CZ TYR A 14 5.033 -6.398 -2.650 1.00 0.00 C ATOM 167 OH TYR A 14 6.055 -6.113 -1.767 1.00 0.00 O ATOM 0 HA TYR A 14 0.432 -6.049 -4.353 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.926 -8.317 -5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.918 -6.646 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.789 -4.844 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.369 -9.044 -3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.626 -4.331 -3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.205 -8.531 -2.409 1.00 0.00 H new ATOM 0 HH TYR A 14 6.421 -6.949 -1.409 1.00 0.00 H new ATOM 177 N VAL A 15 -0.878 -6.346 -6.576 1.00 0.00 N ATOM 178 CA VAL A 15 -1.944 -6.464 -7.564 1.00 0.00 C ATOM 179 C VAL A 15 -1.516 -5.854 -8.894 1.00 0.00 C ATOM 180 O VAL A 15 -1.525 -6.524 -9.927 1.00 0.00 O ATOM 181 CB VAL A 15 -3.204 -5.758 -7.059 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.810 -4.631 -6.102 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.968 -5.171 -8.248 1.00 0.00 C ATOM 0 H VAL A 15 -0.356 -5.471 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.155 -7.522 -7.716 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.837 -6.474 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.708 -4.128 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.263 -5.047 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.178 -3.914 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.866 -4.667 -7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.334 -4.455 -8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.249 -5.972 -8.931 1.00 0.00 H new ATOM 193 N ASN A 16 -1.143 -4.579 -8.861 1.00 0.00 N ATOM 194 CA ASN A 16 -0.729 -3.884 -10.075 1.00 0.00 C ATOM 195 C ASN A 16 0.629 -4.392 -10.549 1.00 0.00 C ATOM 196 O ASN A 16 0.959 -4.298 -11.731 1.00 0.00 O ATOM 197 CB ASN A 16 -0.649 -2.379 -9.812 1.00 0.00 C ATOM 198 CG ASN A 16 -2.032 -1.837 -9.465 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.186 -1.103 -8.398 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.997 -2.090 -10.187 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.119 -4.010 -8.015 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.468 -4.079 -10.852 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.044 -2.180 -8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.259 -1.868 -10.692 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.873 -2.664 -11.021 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.920 -1.725 -9.951 1.00 0.00 H new ATOM 207 N GLY A 17 1.412 -4.930 -9.619 1.00 0.00 N ATOM 208 CA GLY A 17 2.732 -5.450 -9.956 1.00 0.00 C ATOM 209 C GLY A 17 3.616 -5.541 -8.717 1.00 0.00 C ATOM 210 O GLY A 17 3.255 -5.045 -7.649 1.00 0.00 O ATOM 0 H GLY A 17 1.158 -5.017 -8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.633 -6.436 -10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.203 -4.804 -10.697 1.00 0.00 H new ATOM 214 N ARG A 18 4.773 -6.177 -8.865 1.00 0.00 N ATOM 215 CA ARG A 18 5.700 -6.327 -7.750 1.00 0.00 C ATOM 216 C ARG A 18 6.823 -5.299 -7.846 1.00 0.00 C ATOM 217 O ARG A 18 7.412 -5.104 -8.909 1.00 0.00 O ATOM 218 CB ARG A 18 6.293 -7.737 -7.749 1.00 0.00 C ATOM 219 CG ARG A 18 5.235 -8.736 -8.219 1.00 0.00 C ATOM 220 CD ARG A 18 4.017 -8.662 -7.296 1.00 0.00 C ATOM 221 NE ARG A 18 3.278 -9.919 -7.333 1.00 0.00 N ATOM 222 CZ ARG A 18 3.685 -10.976 -6.640 1.00 0.00 C ATOM 223 NH1 ARG A 18 4.765 -10.902 -5.909 1.00 0.00 N ATOM 224 NH2 ARG A 18 3.008 -12.090 -6.690 1.00 0.00 N ATOM 0 H ARG A 18 5.090 -6.594 -9.740 1.00 0.00 H new ATOM 0 HA ARG A 18 5.152 -6.164 -6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.163 -7.777 -8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.636 -7.998 -6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.941 -8.515 -9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.646 -9.746 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.337 -8.450 -6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.368 -7.842 -7.603 1.00 0.00 H new ATOM 0 HE ARG A 18 2.434 -9.987 -7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.296 -10.032 -5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.077 -11.714 -5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.165 -12.149 -7.262 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.321 -12.902 -6.157 1.00 0.00 H new ATOM 238 N PRO A 19 7.121 -4.642 -6.757 1.00 0.00 N ATOM 239 CA PRO A 19 8.200 -3.615 -6.704 1.00 0.00 C ATOM 240 C PRO A 19 9.487 -4.095 -7.368 1.00 0.00 C ATOM 241 O PRO A 19 9.807 -5.284 -7.338 1.00 0.00 O ATOM 242 CB PRO A 19 8.406 -3.391 -5.206 1.00 0.00 C ATOM 243 CG PRO A 19 7.101 -3.738 -4.566 1.00 0.00 C ATOM 244 CD PRO A 19 6.435 -4.797 -5.449 1.00 0.00 C ATOM 0 HA PRO A 19 7.930 -2.707 -7.243 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.210 -4.019 -4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.682 -2.357 -4.998 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.256 -4.120 -3.557 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.468 -2.855 -4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.568 -5.800 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.362 -4.629 -5.537 1.00 0.00 H new ATOM 252 N THR A 20 10.221 -3.163 -7.966 1.00 0.00 N ATOM 253 CA THR A 20 11.486 -3.496 -8.610 1.00 0.00 C ATOM 254 C THR A 20 12.593 -3.647 -7.570 1.00 0.00 C ATOM 255 O THR A 20 13.708 -4.058 -7.891 1.00 0.00 O ATOM 256 CB THR A 20 11.868 -2.402 -9.609 1.00 0.00 C ATOM 257 OG1 THR A 20 12.178 -1.208 -8.905 1.00 0.00 O ATOM 258 CG2 THR A 20 10.697 -2.146 -10.562 1.00 0.00 C ATOM 0 H THR A 20 9.964 -2.177 -8.018 1.00 0.00 H new ATOM 0 HA THR A 20 11.366 -4.443 -9.137 1.00 0.00 H new ATOM 0 HB THR A 20 12.737 -2.722 -10.184 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.424 -0.506 -9.543 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.970 -1.366 -11.273 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.460 -3.063 -11.102 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.826 -1.826 -9.990 1.00 0.00 H new ATOM 266 N PHE A 21 12.275 -3.309 -6.325 1.00 0.00 N ATOM 267 CA PHE A 21 13.247 -3.415 -5.243 1.00 0.00 C ATOM 268 C PHE A 21 12.717 -4.319 -4.134 1.00 0.00 C ATOM 269 O PHE A 21 11.554 -4.221 -3.744 1.00 0.00 O ATOM 270 CB PHE A 21 13.547 -2.027 -4.674 1.00 0.00 C ATOM 271 CG PHE A 21 14.636 -2.132 -3.633 1.00 0.00 C ATOM 272 CD1 PHE A 21 15.970 -2.281 -4.028 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.310 -2.081 -2.272 1.00 0.00 C ATOM 274 CE1 PHE A 21 16.980 -2.378 -3.062 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.319 -2.177 -1.307 1.00 0.00 C ATOM 276 CZ PHE A 21 16.654 -2.326 -1.702 1.00 0.00 C ATOM 0 H PHE A 21 11.359 -2.962 -6.041 1.00 0.00 H new ATOM 0 HA PHE A 21 14.163 -3.849 -5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.858 -1.354 -5.473 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.646 -1.602 -4.231 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.221 -2.321 -5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.280 -1.968 -1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.010 -2.493 -3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.068 -2.136 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.432 -2.401 -0.957 1.00 0.00 H new ATOM 286 N VAL A 22 13.578 -5.198 -3.630 1.00 0.00 N ATOM 287 CA VAL A 22 13.180 -6.122 -2.574 1.00 0.00 C ATOM 288 C VAL A 22 14.156 -6.048 -1.403 1.00 0.00 C ATOM 289 O VAL A 22 15.367 -6.172 -1.584 1.00 0.00 O ATOM 290 CB VAL A 22 13.139 -7.551 -3.117 1.00 0.00 C ATOM 291 CG1 VAL A 22 12.123 -8.372 -2.321 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.728 -7.524 -4.591 1.00 0.00 C ATOM 0 H VAL A 22 14.548 -5.290 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 22 12.187 -5.839 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 22 14.126 -8.004 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.094 -9.390 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.414 -8.392 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.136 -7.920 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.698 -8.542 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.741 -7.071 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.451 -6.940 -5.160 1.00 0.00 H new ATOM 302 N GLY A 23 13.619 -5.847 -0.204 1.00 0.00 N ATOM 303 CA GLY A 23 14.453 -5.762 0.990 1.00 0.00 C ATOM 304 C GLY A 23 14.232 -6.967 1.897 1.00 0.00 C ATOM 305 O GLY A 23 14.604 -8.089 1.555 1.00 0.00 O ATOM 0 H GLY A 23 12.619 -5.741 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.503 -5.707 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.223 -4.846 1.534 1.00 0.00 H new ATOM 309 N GLU A 24 13.625 -6.727 3.054 1.00 0.00 N ATOM 310 CA GLU A 24 13.356 -7.803 4.001 1.00 0.00 C ATOM 311 C GLU A 24 12.053 -7.546 4.751 1.00 0.00 C ATOM 312 O GLU A 24 11.130 -8.358 4.710 1.00 0.00 O ATOM 313 CB GLU A 24 14.509 -7.920 5.000 1.00 0.00 C ATOM 314 CG GLU A 24 15.818 -8.154 4.245 1.00 0.00 C ATOM 315 CD GLU A 24 16.935 -8.492 5.228 1.00 0.00 C ATOM 316 OE1 GLU A 24 16.672 -8.475 6.419 1.00 0.00 O ATOM 317 OE2 GLU A 24 18.034 -8.762 4.775 1.00 0.00 O ATOM 0 H GLU A 24 13.312 -5.805 3.357 1.00 0.00 H new ATOM 0 HA GLU A 24 13.262 -8.735 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.579 -7.011 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.323 -8.743 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.694 -8.967 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.082 -7.264 3.674 1.00 0.00 H new ATOM 324 N GLU A 25 11.987 -6.409 5.438 1.00 0.00 N ATOM 325 CA GLU A 25 10.789 -6.052 6.188 1.00 0.00 C ATOM 326 C GLU A 25 9.876 -5.163 5.349 1.00 0.00 C ATOM 327 O GLU A 25 10.317 -4.161 4.785 1.00 0.00 O ATOM 328 CB GLU A 25 11.178 -5.319 7.474 1.00 0.00 C ATOM 329 CG GLU A 25 9.940 -5.146 8.357 1.00 0.00 C ATOM 330 CD GLU A 25 9.478 -6.502 8.877 1.00 0.00 C ATOM 331 OE1 GLU A 25 10.307 -7.393 8.969 1.00 0.00 O ATOM 332 OE2 GLU A 25 8.302 -6.630 9.177 1.00 0.00 O ATOM 0 H GLU A 25 12.742 -5.725 5.490 1.00 0.00 H new ATOM 0 HA GLU A 25 10.254 -6.968 6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.943 -5.882 8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.606 -4.346 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.169 -4.485 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.140 -4.674 7.787 1.00 0.00 H new ATOM 339 N VAL A 26 8.603 -5.536 5.273 1.00 0.00 N ATOM 340 CA VAL A 26 7.637 -4.765 4.499 1.00 0.00 C ATOM 341 C VAL A 26 6.529 -4.232 5.401 1.00 0.00 C ATOM 342 O VAL A 26 6.031 -4.943 6.274 1.00 0.00 O ATOM 343 CB VAL A 26 7.030 -5.639 3.401 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.336 -4.752 2.366 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.139 -6.444 2.720 1.00 0.00 C ATOM 0 H VAL A 26 8.218 -6.361 5.734 1.00 0.00 H new ATOM 0 HA VAL A 26 8.156 -3.921 4.045 1.00 0.00 H new ATOM 0 HB VAL A 26 6.302 -6.321 3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.904 -5.376 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.546 -4.178 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.063 -4.070 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.708 -7.068 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.867 -5.762 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.634 -7.077 3.457 1.00 0.00 H new ATOM 355 N THR A 27 6.147 -2.979 5.184 1.00 0.00 N ATOM 356 CA THR A 27 5.101 -2.358 5.988 1.00 0.00 C ATOM 357 C THR A 27 4.256 -1.419 5.132 1.00 0.00 C ATOM 358 O THR A 27 4.787 -0.614 4.369 1.00 0.00 O ATOM 359 CB THR A 27 5.727 -1.573 7.144 1.00 0.00 C ATOM 360 OG1 THR A 27 7.029 -2.078 7.404 1.00 0.00 O ATOM 361 CG2 THR A 27 4.861 -1.725 8.394 1.00 0.00 C ATOM 0 H THR A 27 6.543 -2.376 4.463 1.00 0.00 H new ATOM 0 HA THR A 27 4.460 -3.144 6.388 1.00 0.00 H new ATOM 0 HB THR A 27 5.791 -0.518 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.074 -2.408 8.326 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.308 -1.166 9.216 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.862 -1.339 8.193 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.795 -2.779 8.665 1.00 0.00 H new ATOM 369 N LYS A 28 2.938 -1.529 5.267 1.00 0.00 N ATOM 370 CA LYS A 28 2.030 -0.690 4.493 1.00 0.00 C ATOM 371 C LYS A 28 1.736 0.608 5.235 1.00 0.00 C ATOM 372 O LYS A 28 1.532 0.607 6.450 1.00 0.00 O ATOM 373 CB LYS A 28 0.723 -1.440 4.229 1.00 0.00 C ATOM 374 CG LYS A 28 0.526 -2.515 5.301 1.00 0.00 C ATOM 375 CD LYS A 28 0.401 -1.851 6.673 1.00 0.00 C ATOM 376 CE LYS A 28 -0.273 -2.817 7.648 1.00 0.00 C ATOM 377 NZ LYS A 28 -1.661 -3.101 7.188 1.00 0.00 N ATOM 0 H LYS A 28 2.478 -2.184 5.899 1.00 0.00 H new ATOM 0 HA LYS A 28 2.507 -0.450 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.116 -0.744 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.747 -1.898 3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.369 -3.099 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.368 -3.207 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.387 -1.571 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.181 -0.933 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.297 -3.744 7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.292 -2.386 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.325 -2.949 7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.903 -2.465 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.725 -4.088 6.867 1.00 0.00 H new ATOM 391 N GLY A 29 1.713 1.714 4.498 1.00 0.00 N ATOM 392 CA GLY A 29 1.436 3.014 5.097 1.00 0.00 C ATOM 393 C GLY A 29 -0.051 3.174 5.390 1.00 0.00 C ATOM 394 O GLY A 29 -0.473 3.148 6.546 1.00 0.00 O ATOM 0 H GLY A 29 1.882 1.736 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.006 3.122 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.765 3.806 4.424 1.00 0.00 H new ATOM 398 N PHE A 30 -0.842 3.340 4.334 1.00 0.00 N ATOM 399 CA PHE A 30 -2.284 3.494 4.489 1.00 0.00 C ATOM 400 C PHE A 30 -2.935 2.154 4.817 1.00 0.00 C ATOM 401 O PHE A 30 -2.610 1.131 4.215 1.00 0.00 O ATOM 402 CB PHE A 30 -2.889 4.056 3.202 1.00 0.00 C ATOM 403 CG PHE A 30 -2.070 5.235 2.734 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.217 6.481 3.357 1.00 0.00 C ATOM 405 CD2 PHE A 30 -1.164 5.084 1.678 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.459 7.574 2.924 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.406 6.177 1.244 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.553 7.422 1.867 1.00 0.00 C ATOM 0 H PHE A 30 -0.512 3.371 3.369 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.470 4.185 5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.911 3.286 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.921 4.362 3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.916 6.598 4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.050 4.123 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.572 8.535 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.292 6.060 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.033 8.266 1.532 1.00 0.00 H new ATOM 418 N GLU A 31 -3.853 2.168 5.777 1.00 0.00 N ATOM 419 CA GLU A 31 -4.549 0.950 6.174 1.00 0.00 C ATOM 420 C GLU A 31 -5.861 0.808 5.409 1.00 0.00 C ATOM 421 O GLU A 31 -6.929 0.677 6.006 1.00 0.00 O ATOM 422 CB GLU A 31 -4.833 0.978 7.676 1.00 0.00 C ATOM 423 CG GLU A 31 -5.208 -0.428 8.152 1.00 0.00 C ATOM 424 CD GLU A 31 -3.980 -1.332 8.126 1.00 0.00 C ATOM 425 OE1 GLU A 31 -2.881 -0.809 8.217 1.00 0.00 O ATOM 426 OE2 GLU A 31 -4.156 -2.534 8.013 1.00 0.00 O ATOM 0 H GLU A 31 -4.131 3.003 6.292 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.912 0.097 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.956 1.334 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.644 1.674 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.615 -0.382 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.988 -0.842 7.513 1.00 0.00 H new ATOM 433 N LYS A 32 -5.773 0.835 4.083 1.00 0.00 N ATOM 434 CA LYS A 32 -6.961 0.714 3.245 1.00 0.00 C ATOM 435 C LYS A 32 -6.640 -0.058 1.970 1.00 0.00 C ATOM 436 O LYS A 32 -5.543 0.056 1.423 1.00 0.00 O ATOM 437 CB LYS A 32 -7.490 2.103 2.884 1.00 0.00 C ATOM 438 CG LYS A 32 -8.879 1.972 2.255 1.00 0.00 C ATOM 439 CD LYS A 32 -9.919 1.746 3.354 1.00 0.00 C ATOM 440 CE LYS A 32 -11.319 1.996 2.791 1.00 0.00 C ATOM 441 NZ LYS A 32 -12.337 1.432 3.723 1.00 0.00 N ATOM 0 H LYS A 32 -4.898 0.939 3.568 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.723 0.170 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.540 2.728 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.809 2.594 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.121 2.873 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.893 1.141 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.845 0.727 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.728 2.415 4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.484 3.065 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.415 1.535 1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.289 1.602 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.183 0.409 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.250 1.892 4.652 1.00 0.00 H new ATOM 455 N ASP A 33 -7.604 -0.844 1.501 1.00 0.00 N ATOM 456 CA ASP A 33 -7.414 -1.627 0.285 1.00 0.00 C ATOM 457 C ASP A 33 -6.293 -2.643 0.473 1.00 0.00 C ATOM 458 O ASP A 33 -6.181 -3.272 1.525 1.00 0.00 O ATOM 459 CB ASP A 33 -7.076 -0.700 -0.884 1.00 0.00 C ATOM 460 CG ASP A 33 -7.273 -1.435 -2.206 1.00 0.00 C ATOM 461 OD1 ASP A 33 -8.024 -2.395 -2.221 1.00 0.00 O ATOM 462 OD2 ASP A 33 -6.668 -1.026 -3.184 1.00 0.00 O ATOM 0 H ASP A 33 -8.518 -0.955 1.940 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.340 -2.161 0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.711 0.185 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.045 -0.356 -0.800 1.00 0.00 H new ATOM 467 N ASN A 34 -5.464 -2.799 -0.553 1.00 0.00 N ATOM 468 CA ASN A 34 -4.356 -3.747 -0.491 1.00 0.00 C ATOM 469 C ASN A 34 -3.128 -3.096 0.138 1.00 0.00 C ATOM 470 O ASN A 34 -2.035 -3.661 0.116 1.00 0.00 O ATOM 471 CB ASN A 34 -4.010 -4.241 -1.897 1.00 0.00 C ATOM 472 CG ASN A 34 -5.199 -4.989 -2.493 1.00 0.00 C ATOM 473 OD1 ASN A 34 -6.090 -5.422 -1.764 1.00 0.00 O ATOM 474 ND2 ASN A 34 -5.264 -5.166 -3.784 1.00 0.00 N ATOM 0 H ASN A 34 -5.536 -2.286 -1.432 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.661 -4.593 0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.745 -3.397 -2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.140 -4.896 -1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.055 -5.665 -4.191 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.524 -4.806 -4.386 1.00 0.00 H new ATOM 481 N GLY A 35 -3.317 -1.905 0.696 1.00 0.00 N ATOM 482 CA GLY A 35 -2.214 -1.182 1.321 1.00 0.00 C ATOM 483 C GLY A 35 -1.731 -0.047 0.425 1.00 0.00 C ATOM 484 O GLY A 35 -1.136 0.920 0.899 1.00 0.00 O ATOM 0 H GLY A 35 -4.215 -1.423 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.535 -0.781 2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.391 -1.868 1.521 1.00 0.00 H new ATOM 488 N LEU A 36 -1.992 -0.173 -0.873 1.00 0.00 N ATOM 489 CA LEU A 36 -1.589 0.855 -1.825 1.00 0.00 C ATOM 490 C LEU A 36 -0.074 1.034 -1.814 1.00 0.00 C ATOM 491 O LEU A 36 0.621 0.581 -2.724 1.00 0.00 O ATOM 492 CB LEU A 36 -2.264 2.182 -1.477 1.00 0.00 C ATOM 493 CG LEU A 36 -3.742 1.938 -1.170 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.452 3.279 -0.973 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.388 1.188 -2.337 1.00 0.00 C ATOM 0 H LEU A 36 -2.477 -0.970 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.898 0.540 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.773 2.637 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.165 2.881 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.830 1.343 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.505 3.104 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.993 3.815 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.364 3.874 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.442 1.014 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.299 1.783 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.884 0.232 -2.479 1.00 0.00 H new ATOM 507 N LEU A 37 0.431 1.697 -0.779 1.00 0.00 N ATOM 508 CA LEU A 37 1.865 1.945 -0.669 1.00 0.00 C ATOM 509 C LEU A 37 2.507 0.958 0.300 1.00 0.00 C ATOM 510 O LEU A 37 2.022 0.762 1.414 1.00 0.00 O ATOM 511 CB LEU A 37 2.114 3.374 -0.183 1.00 0.00 C ATOM 512 CG LEU A 37 3.618 3.609 -0.036 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.302 3.401 -1.388 1.00 0.00 C ATOM 514 CD2 LEU A 37 3.866 5.040 0.445 1.00 0.00 C ATOM 0 H LEU A 37 -0.126 2.070 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 37 2.313 1.814 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.691 4.088 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.615 3.537 0.772 1.00 0.00 H new ATOM 0 HG LEU A 37 4.026 2.905 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.374 3.569 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.126 2.382 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.894 4.104 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.938 5.208 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.458 5.744 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.379 5.189 1.409 1.00 0.00 H new ATOM 526 N PHE A 38 3.604 0.342 -0.131 1.00 0.00 N ATOM 527 CA PHE A 38 4.316 -0.608 0.714 1.00 0.00 C ATOM 528 C PHE A 38 5.689 -0.060 1.094 1.00 0.00 C ATOM 529 O PHE A 38 6.436 0.415 0.240 1.00 0.00 O ATOM 530 CB PHE A 38 4.483 -1.939 -0.021 1.00 0.00 C ATOM 531 CG PHE A 38 3.126 -2.459 -0.431 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.318 -3.119 0.503 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.676 -2.283 -1.745 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.060 -3.601 0.123 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.418 -2.766 -2.125 1.00 0.00 C ATOM 536 CZ PHE A 38 0.610 -3.425 -1.191 1.00 0.00 C ATOM 0 H PHE A 38 4.016 0.483 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 38 3.734 -0.766 1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.114 -1.805 -0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.983 -2.663 0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.665 -3.256 1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.299 -1.775 -2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.436 -4.109 0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.071 -2.630 -3.139 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.360 -3.798 -1.484 1.00 0.00 H new ATOM 546 N ARG A 39 6.011 -0.128 2.382 1.00 0.00 N ATOM 547 CA ARG A 39 7.301 0.355 2.862 1.00 0.00 C ATOM 548 C ARG A 39 8.340 -0.761 2.826 1.00 0.00 C ATOM 549 O ARG A 39 8.346 -1.644 3.684 1.00 0.00 O ATOM 550 CB ARG A 39 7.162 0.881 4.292 1.00 0.00 C ATOM 551 CG ARG A 39 8.453 1.591 4.702 1.00 0.00 C ATOM 552 CD ARG A 39 8.306 2.141 6.120 1.00 0.00 C ATOM 553 NE ARG A 39 8.248 1.047 7.082 1.00 0.00 N ATOM 554 CZ ARG A 39 8.055 1.278 8.376 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.911 2.502 8.806 1.00 0.00 N ATOM 556 NH2 ARG A 39 8.007 0.282 9.218 1.00 0.00 N ATOM 0 H ARG A 39 5.403 -0.509 3.106 1.00 0.00 H new ATOM 0 HA ARG A 39 7.631 1.162 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.319 1.569 4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.955 0.057 4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.292 0.897 4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.671 2.402 4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.146 2.795 6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.402 2.746 6.191 1.00 0.00 H new ATOM 0 HE ARG A 39 8.358 0.087 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.947 3.281 8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.763 2.679 9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.118 -0.675 8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.859 0.461 10.211 1.00 0.00 H new ATOM 570 N ILE A 40 9.217 -0.713 1.830 1.00 0.00 N ATOM 571 CA ILE A 40 10.251 -1.731 1.686 1.00 0.00 C ATOM 572 C ILE A 40 11.520 -1.312 2.422 1.00 0.00 C ATOM 573 O ILE A 40 12.016 -0.200 2.239 1.00 0.00 O ATOM 574 CB ILE A 40 10.566 -1.950 0.205 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.265 -2.208 -0.559 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.494 -3.157 0.052 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.561 -2.291 -2.058 1.00 0.00 C ATOM 0 H ILE A 40 9.233 0.014 1.115 1.00 0.00 H new ATOM 0 HA ILE A 40 9.883 -2.661 2.120 1.00 0.00 H new ATOM 0 HB ILE A 40 11.056 -1.063 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.807 -3.136 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.551 -1.409 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.718 -3.312 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.421 -2.975 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.006 -4.045 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.635 -2.475 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.000 -1.352 -2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.260 -3.106 -2.246 1.00 0.00 H new ATOM 589 N VAL A 41 12.041 -2.209 3.252 1.00 0.00 N ATOM 590 CA VAL A 41 13.248 -1.916 4.017 1.00 0.00 C ATOM 591 C VAL A 41 14.241 -3.070 3.914 1.00 0.00 C ATOM 592 O VAL A 41 13.897 -4.222 4.174 1.00 0.00 O ATOM 593 CB VAL A 41 12.891 -1.676 5.484 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.156 -1.320 6.266 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.891 -0.522 5.582 1.00 0.00 C ATOM 0 H VAL A 41 11.651 -3.138 3.412 1.00 0.00 H new ATOM 0 HA VAL A 41 13.708 -1.018 3.604 1.00 0.00 H new ATOM 0 HB VAL A 41 12.448 -2.580 5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.901 -1.149 7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.870 -2.141 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.600 -0.416 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.636 -0.350 6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.335 0.381 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.989 -0.774 5.025 1.00 0.00 H new ATOM 605 N ASN A 42 15.473 -2.750 3.532 1.00 0.00 N ATOM 606 CA ASN A 42 16.512 -3.766 3.412 1.00 0.00 C ATOM 607 C ASN A 42 17.502 -3.658 4.568 1.00 0.00 C ATOM 608 O ASN A 42 18.350 -2.765 4.591 1.00 0.00 O ATOM 609 CB ASN A 42 17.255 -3.599 2.084 1.00 0.00 C ATOM 610 CG ASN A 42 18.029 -4.871 1.755 1.00 0.00 C ATOM 611 OD1 ASN A 42 17.479 -6.034 1.974 1.00 0.00 O flip ATOM 612 ND2 ASN A 42 19.167 -4.803 1.288 1.00 0.00 N flip ATOM 0 H ASN A 42 15.775 -1.803 3.302 1.00 0.00 H new ATOM 0 HA ASN A 42 16.040 -4.748 3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.546 -3.379 1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.939 -2.753 2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.595 -3.893 1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 42 19.681 -5.657 1.072 1.00 0.00 H new ATOM 619 N LYS A 43 17.389 -4.573 5.525 1.00 0.00 N ATOM 620 CA LYS A 43 18.271 -4.564 6.686 1.00 0.00 C ATOM 621 C LYS A 43 19.733 -4.577 6.252 1.00 0.00 C ATOM 622 O LYS A 43 20.595 -4.009 6.924 1.00 0.00 O ATOM 623 CB LYS A 43 17.988 -5.783 7.565 1.00 0.00 C ATOM 624 CG LYS A 43 16.570 -5.687 8.131 1.00 0.00 C ATOM 625 CD LYS A 43 16.343 -6.821 9.134 1.00 0.00 C ATOM 626 CE LYS A 43 14.883 -6.813 9.590 1.00 0.00 C ATOM 627 NZ LYS A 43 14.646 -7.955 10.516 1.00 0.00 N ATOM 0 H LYS A 43 16.700 -5.325 5.520 1.00 0.00 H new ATOM 0 HA LYS A 43 18.082 -3.653 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.097 -6.698 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.713 -5.834 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.426 -4.722 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.840 -5.749 7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.587 -7.780 8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.004 -6.700 9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.652 -5.872 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.221 -6.887 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.653 -7.950 10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.851 -8.849 10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.268 -7.865 11.344 1.00 0.00 H new ATOM 641 N LYS A 44 20.006 -5.227 5.126 1.00 0.00 N ATOM 642 CA LYS A 44 21.368 -5.301 4.611 1.00 0.00 C ATOM 643 C LYS A 44 22.020 -3.921 4.614 1.00 0.00 C ATOM 644 O LYS A 44 22.924 -3.654 5.405 1.00 0.00 O ATOM 645 CB LYS A 44 21.358 -5.859 3.186 1.00 0.00 C ATOM 646 CG LYS A 44 22.245 -7.102 3.118 1.00 0.00 C ATOM 647 CD LYS A 44 23.714 -6.690 3.232 1.00 0.00 C ATOM 648 CE LYS A 44 24.274 -6.400 1.838 1.00 0.00 C ATOM 649 NZ LYS A 44 25.658 -5.861 1.960 1.00 0.00 N ATOM 0 H LYS A 44 19.309 -5.706 4.557 1.00 0.00 H new ATOM 0 HA LYS A 44 21.944 -5.963 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.339 -6.110 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.717 -5.104 2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 44 21.986 -7.790 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 44 22.077 -7.631 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.807 -5.806 3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 44 24.289 -7.484 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 44 24.279 -7.311 1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 44 23.637 -5.682 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 26.039 -5.664 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 25.641 -4.982 2.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 26.262 -6.560 2.437 1.00 0.00 H new ATOM 663 N LYS A 45 21.554 -3.051 3.725 1.00 0.00 N ATOM 664 CA LYS A 45 22.087 -1.695 3.647 1.00 0.00 C ATOM 665 C LYS A 45 21.236 -0.735 4.473 1.00 0.00 C ATOM 666 O LYS A 45 21.558 0.446 4.595 1.00 0.00 O ATOM 667 CB LYS A 45 22.118 -1.231 2.189 1.00 0.00 C ATOM 668 CG LYS A 45 23.080 -2.115 1.394 1.00 0.00 C ATOM 669 CD LYS A 45 23.196 -1.589 -0.038 1.00 0.00 C ATOM 670 CE LYS A 45 24.061 -2.541 -0.864 1.00 0.00 C ATOM 671 NZ LYS A 45 23.492 -3.916 -0.795 1.00 0.00 N ATOM 0 H LYS A 45 20.815 -3.257 3.053 1.00 0.00 H new ATOM 0 HA LYS A 45 23.100 -1.698 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.118 -1.284 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.434 -0.189 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 45 24.061 -2.122 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.722 -3.144 1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.206 -1.500 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 45 23.635 -0.591 -0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 45 24.103 -2.205 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 45 25.084 -2.540 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.497 -4.342 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.066 -4.497 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 22.515 -3.870 -0.441 1.00 0.00 H new ATOM 685 N LYS A 46 20.150 -1.251 5.037 1.00 0.00 N ATOM 686 CA LYS A 46 19.258 -0.432 5.850 1.00 0.00 C ATOM 687 C LYS A 46 18.721 0.745 5.040 1.00 0.00 C ATOM 688 O LYS A 46 18.480 1.825 5.583 1.00 0.00 O ATOM 689 CB LYS A 46 20.006 0.091 7.078 1.00 0.00 C ATOM 690 CG LYS A 46 19.390 -0.509 8.344 1.00 0.00 C ATOM 691 CD LYS A 46 18.033 0.145 8.612 1.00 0.00 C ATOM 692 CE LYS A 46 17.549 -0.238 10.012 1.00 0.00 C ATOM 693 NZ LYS A 46 17.841 -1.677 10.262 1.00 0.00 N ATOM 0 H LYS A 46 19.867 -2.227 4.947 1.00 0.00 H new ATOM 0 HA LYS A 46 18.419 -1.050 6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.062 -0.173 7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.951 1.179 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.270 -1.586 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.055 -0.353 9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.117 1.229 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.308 -0.177 7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.044 0.380 10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.479 -0.052 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.225 -2.029 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.667 -2.223 9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.836 -1.785 10.545 1.00 0.00 H new ATOM 707 N GLN A 47 18.533 0.531 3.743 1.00 0.00 N ATOM 708 CA GLN A 47 18.026 1.585 2.872 1.00 0.00 C ATOM 709 C GLN A 47 16.521 1.436 2.674 1.00 0.00 C ATOM 710 O GLN A 47 16.034 0.354 2.347 1.00 0.00 O ATOM 711 CB GLN A 47 18.730 1.530 1.515 1.00 0.00 C ATOM 712 CG GLN A 47 18.421 0.197 0.831 1.00 0.00 C ATOM 713 CD GLN A 47 19.393 -0.036 -0.319 1.00 0.00 C ATOM 714 OE1 GLN A 47 19.411 -1.117 -0.909 1.00 0.00 O ATOM 715 NE2 GLN A 47 20.209 0.918 -0.676 1.00 0.00 N ATOM 0 H GLN A 47 18.722 -0.355 3.274 1.00 0.00 H new ATOM 0 HA GLN A 47 18.227 2.547 3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.398 2.358 0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.806 1.642 1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.496 -0.617 1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.397 0.199 0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.193 1.813 -0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.863 0.769 -1.445 1.00 0.00 H new ATOM 724 N TRP A 48 15.792 2.528 2.875 1.00 0.00 N ATOM 725 CA TRP A 48 14.341 2.503 2.725 1.00 0.00 C ATOM 726 C TRP A 48 13.948 2.727 1.268 1.00 0.00 C ATOM 727 O TRP A 48 14.559 3.533 0.567 1.00 0.00 O ATOM 728 CB TRP A 48 13.707 3.588 3.599 1.00 0.00 C ATOM 729 CG TRP A 48 13.819 3.200 5.038 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.623 2.225 5.521 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.121 3.761 6.187 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.462 2.152 6.894 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.547 3.079 7.351 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.168 4.787 6.331 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.046 3.402 8.613 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.663 5.114 7.600 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.101 4.423 8.739 1.00 0.00 C ATOM 0 H TRP A 48 16.177 3.435 3.140 1.00 0.00 H new ATOM 0 HA TRP A 48 13.979 1.524 3.040 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.205 4.543 3.429 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.660 3.722 3.328 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.283 1.605 4.932 1.00 0.00 H new ATOM 0 HE1 TRP A 48 14.959 1.494 7.494 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.823 5.326 5.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.387 2.866 9.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 10.932 5.903 7.699 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.708 4.680 9.712 1.00 0.00 H new ATOM 748 N ALA A 49 12.922 2.008 0.821 1.00 0.00 N ATOM 749 CA ALA A 49 12.446 2.143 -0.551 1.00 0.00 C ATOM 750 C ALA A 49 10.921 2.143 -0.586 1.00 0.00 C ATOM 751 O ALA A 49 10.274 1.442 0.192 1.00 0.00 O ATOM 752 CB ALA A 49 12.980 0.992 -1.406 1.00 0.00 C ATOM 0 H ALA A 49 12.408 1.331 1.385 1.00 0.00 H new ATOM 0 HA ALA A 49 12.809 3.089 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.620 1.101 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.070 1.011 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.632 0.043 -0.998 1.00 0.00 H new ATOM 758 N TYR A 50 10.352 2.933 -1.491 1.00 0.00 N ATOM 759 CA TYR A 50 8.901 3.021 -1.607 1.00 0.00 C ATOM 760 C TYR A 50 8.448 2.646 -3.014 1.00 0.00 C ATOM 761 O TYR A 50 9.047 3.069 -4.003 1.00 0.00 O ATOM 762 CB TYR A 50 8.436 4.441 -1.280 1.00 0.00 C ATOM 763 CG TYR A 50 8.499 4.658 0.213 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.578 4.020 1.052 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.477 5.497 0.757 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.635 4.223 2.436 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.534 5.699 2.141 1.00 0.00 C ATOM 768 CZ TYR A 50 8.613 5.062 2.981 1.00 0.00 C ATOM 769 OH TYR A 50 8.669 5.262 4.345 1.00 0.00 O ATOM 0 H TYR A 50 10.868 3.517 -2.149 1.00 0.00 H new ATOM 0 HA TYR A 50 8.458 2.321 -0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.066 5.169 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.418 4.594 -1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.824 3.371 0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.188 5.989 0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.924 3.732 3.083 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.289 6.347 2.561 1.00 0.00 H new ATOM 0 HH TYR A 50 9.407 5.871 4.556 1.00 0.00 H new ATOM 779 N TYR A 51 7.386 1.852 -3.094 1.00 0.00 N ATOM 780 CA TYR A 51 6.844 1.441 -4.384 1.00 0.00 C ATOM 781 C TYR A 51 5.362 1.792 -4.478 1.00 0.00 C ATOM 782 O TYR A 51 4.563 1.380 -3.637 1.00 0.00 O ATOM 783 CB TYR A 51 7.028 -0.067 -4.570 1.00 0.00 C ATOM 784 CG TYR A 51 6.129 -0.552 -5.681 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.571 -0.507 -7.009 1.00 0.00 C ATOM 786 CD2 TYR A 51 4.853 -1.047 -5.384 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.737 -0.957 -8.039 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.020 -1.497 -6.414 1.00 0.00 C ATOM 789 CZ TYR A 51 4.461 -1.452 -7.742 1.00 0.00 C ATOM 790 OH TYR A 51 3.639 -1.896 -8.758 1.00 0.00 O ATOM 0 H TYR A 51 6.886 1.482 -2.286 1.00 0.00 H new ATOM 0 HA TYR A 51 7.381 1.972 -5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.068 -0.290 -4.806 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.792 -0.590 -3.643 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.555 -0.125 -7.238 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.512 -1.081 -4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.078 -0.922 -9.063 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.036 -1.879 -6.185 1.00 0.00 H new ATOM 0 HH TYR A 51 2.790 -2.208 -8.380 1.00 0.00 H new ATOM 800 N ASN A 52 5.003 2.555 -5.505 1.00 0.00 N ATOM 801 CA ASN A 52 3.616 2.967 -5.689 1.00 0.00 C ATOM 802 C ASN A 52 2.846 1.920 -6.487 1.00 0.00 C ATOM 803 O ASN A 52 3.133 1.684 -7.661 1.00 0.00 O ATOM 804 CB ASN A 52 3.561 4.309 -6.421 1.00 0.00 C ATOM 805 CG ASN A 52 2.111 4.708 -6.668 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.197 3.924 -6.411 1.00 0.00 O ATOM 807 ND2 ASN A 52 1.843 5.889 -7.153 1.00 0.00 N ATOM 0 H ASN A 52 5.647 2.898 -6.217 1.00 0.00 H new ATOM 0 HA ASN A 52 3.156 3.070 -4.706 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.062 5.076 -5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.094 4.238 -7.369 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.875 6.164 -7.320 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.601 6.537 -7.365 1.00 0.00 H new ATOM 814 N ASP A 53 1.865 1.298 -5.842 1.00 0.00 N ATOM 815 CA ASP A 53 1.049 0.286 -6.504 1.00 0.00 C ATOM 816 C ASP A 53 -0.080 0.942 -7.292 1.00 0.00 C ATOM 817 O ASP A 53 -0.414 0.510 -8.395 1.00 0.00 O ATOM 818 CB ASP A 53 0.461 -0.673 -5.467 1.00 0.00 C ATOM 819 CG ASP A 53 -0.312 -1.786 -6.166 1.00 0.00 C ATOM 820 OD1 ASP A 53 0.326 -2.684 -6.691 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.531 -1.724 -6.167 1.00 0.00 O ATOM 0 H ASP A 53 1.616 1.475 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 53 1.683 -0.271 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.259 -1.099 -4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.199 -0.130 -4.790 1.00 0.00 H new ATOM 826 N THR A 54 -0.664 1.990 -6.718 1.00 0.00 N ATOM 827 CA THR A 54 -1.752 2.703 -7.376 1.00 0.00 C ATOM 828 C THR A 54 -1.297 3.244 -8.727 1.00 0.00 C ATOM 829 O THR A 54 -0.263 3.905 -8.825 1.00 0.00 O ATOM 830 CB THR A 54 -2.228 3.860 -6.494 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.101 4.537 -5.957 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.089 3.314 -5.354 1.00 0.00 C ATOM 0 H THR A 54 -0.404 2.362 -5.805 1.00 0.00 H new ATOM 0 HA THR A 54 -2.575 2.006 -7.535 1.00 0.00 H new ATOM 0 HB THR A 54 -2.819 4.554 -7.091 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.292 4.253 -6.432 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.427 4.139 -4.727 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.953 2.794 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.501 2.619 -4.754 1.00 0.00 H new ATOM 840 N THR A 55 -2.075 2.961 -9.766 1.00 0.00 N ATOM 841 CA THR A 55 -1.738 3.419 -11.109 1.00 0.00 C ATOM 842 C THR A 55 -2.591 4.624 -11.495 1.00 0.00 C ATOM 843 O THR A 55 -2.702 4.965 -12.674 1.00 0.00 O ATOM 844 CB THR A 55 -1.960 2.290 -12.116 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.262 1.748 -11.938 1.00 0.00 O ATOM 846 CG2 THR A 55 -0.915 1.194 -11.898 1.00 0.00 C ATOM 0 H THR A 55 -2.938 2.420 -9.705 1.00 0.00 H new ATOM 0 HA THR A 55 -0.689 3.714 -11.119 1.00 0.00 H new ATOM 0 HB THR A 55 -1.864 2.683 -13.128 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.407 1.025 -12.584 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.075 0.390 -12.617 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.083 1.610 -12.035 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.007 0.799 -10.886 1.00 0.00 H new ATOM 854 N GLN A 56 -3.190 5.264 -10.496 1.00 0.00 N ATOM 855 CA GLN A 56 -4.031 6.430 -10.745 1.00 0.00 C ATOM 856 C GLN A 56 -3.614 7.594 -9.853 1.00 0.00 C ATOM 857 O GLN A 56 -3.968 8.744 -10.111 1.00 0.00 O ATOM 858 CB GLN A 56 -5.497 6.081 -10.479 1.00 0.00 C ATOM 859 CG GLN A 56 -5.574 4.916 -9.490 1.00 0.00 C ATOM 860 CD GLN A 56 -5.245 3.608 -10.202 1.00 0.00 C ATOM 861 OE1 GLN A 56 -4.739 2.617 -9.521 1.00 0.00 O flip ATOM 862 NE2 GLN A 56 -5.455 3.486 -11.408 1.00 0.00 N flip ATOM 0 H GLN A 56 -3.110 4.998 -9.514 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.910 6.726 -11.787 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.021 6.948 -10.077 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.993 5.813 -11.412 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.876 5.078 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.572 4.862 -9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.851 4.263 -11.938 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.233 2.608 -11.878 1.00 0.00 H new ATOM 871 N TYR A 57 -2.862 7.287 -8.801 1.00 0.00 N ATOM 872 CA TYR A 57 -2.400 8.318 -7.879 1.00 0.00 C ATOM 873 C TYR A 57 -0.929 8.110 -7.531 1.00 0.00 C ATOM 874 O TYR A 57 -0.456 6.977 -7.444 1.00 0.00 O ATOM 875 CB TYR A 57 -3.237 8.286 -6.600 1.00 0.00 C ATOM 876 CG TYR A 57 -4.638 7.825 -6.926 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.510 8.672 -7.620 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.065 6.550 -6.535 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.809 8.244 -7.923 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.363 6.123 -6.837 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.235 6.969 -7.532 1.00 0.00 C ATOM 882 OH TYR A 57 -8.514 6.549 -7.830 1.00 0.00 O ATOM 0 H TYR A 57 -2.562 6.341 -8.567 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.512 9.288 -8.364 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.782 7.615 -5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.265 9.277 -6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.181 9.655 -7.922 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.392 5.896 -6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.482 8.898 -8.458 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.692 5.140 -6.534 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.648 5.640 -7.489 1.00 0.00 H new ATOM 892 N GLU A 58 -0.212 9.211 -7.331 1.00 0.00 N ATOM 893 CA GLU A 58 1.198 9.138 -6.965 1.00 0.00 C ATOM 894 C GLU A 58 1.355 9.141 -5.448 1.00 0.00 C ATOM 895 O GLU A 58 0.694 9.907 -4.748 1.00 0.00 O ATOM 896 CB GLU A 58 1.955 10.326 -7.562 1.00 0.00 C ATOM 897 CG GLU A 58 1.210 11.622 -7.237 1.00 0.00 C ATOM 898 CD GLU A 58 0.162 11.904 -8.308 1.00 0.00 C ATOM 899 OE1 GLU A 58 -0.341 10.952 -8.881 1.00 0.00 O ATOM 900 OE2 GLU A 58 -0.121 13.067 -8.540 1.00 0.00 O ATOM 0 H GLU A 58 -0.581 10.158 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 58 1.611 8.210 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.967 10.365 -7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.046 10.207 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.732 11.541 -6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.915 12.451 -7.179 1.00 0.00 H new ATOM 907 N MET A 59 2.233 8.278 -4.948 1.00 0.00 N ATOM 908 CA MET A 59 2.462 8.185 -3.511 1.00 0.00 C ATOM 909 C MET A 59 3.538 9.172 -3.070 1.00 0.00 C ATOM 910 O MET A 59 4.693 9.074 -3.485 1.00 0.00 O ATOM 911 CB MET A 59 2.891 6.764 -3.142 1.00 0.00 C ATOM 912 CG MET A 59 1.651 5.881 -2.984 1.00 0.00 C ATOM 913 SD MET A 59 0.442 6.302 -4.263 1.00 0.00 S ATOM 914 CE MET A 59 -1.008 5.590 -3.448 1.00 0.00 C ATOM 0 H MET A 59 2.793 7.638 -5.511 1.00 0.00 H new ATOM 0 HA MET A 59 1.531 8.430 -3.000 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.544 6.358 -3.915 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.463 6.775 -2.214 1.00 0.00 H new ATOM 0 HG2 MET A 59 1.928 4.830 -3.063 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.214 6.023 -1.995 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.908 5.876 -3.992 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.921 4.504 -3.435 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.069 5.961 -2.425 1.00 0.00 H new ATOM 924 N HIS A 60 3.151 10.123 -2.225 1.00 0.00 N ATOM 925 CA HIS A 60 4.093 11.119 -1.726 1.00 0.00 C ATOM 926 C HIS A 60 4.651 10.693 -0.373 1.00 0.00 C ATOM 927 O HIS A 60 3.899 10.332 0.532 1.00 0.00 O ATOM 928 CB HIS A 60 3.397 12.475 -1.592 1.00 0.00 C ATOM 929 CG HIS A 60 3.234 13.094 -2.952 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.922 14.236 -3.333 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.467 12.740 -4.034 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.558 14.526 -4.596 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.673 13.646 -5.071 1.00 0.00 N ATOM 0 H HIS A 60 2.199 10.225 -1.874 1.00 0.00 H new ATOM 0 HA HIS A 60 4.916 11.204 -2.436 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.423 12.350 -1.119 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.981 13.133 -0.949 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.583 14.761 -2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.804 11.888 -4.075 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.936 15.368 -5.157 1.00 0.00 H new ATOM 942 N VAL A 61 5.974 10.732 -0.244 1.00 0.00 N ATOM 943 CA VAL A 61 6.619 10.331 1.001 1.00 0.00 C ATOM 944 C VAL A 61 7.148 11.549 1.752 1.00 0.00 C ATOM 945 O VAL A 61 7.886 12.363 1.196 1.00 0.00 O ATOM 946 CB VAL A 61 7.772 9.371 0.705 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.564 9.111 1.987 1.00 0.00 C ATOM 948 CG2 VAL A 61 7.209 8.049 0.178 1.00 0.00 C ATOM 0 H VAL A 61 6.614 11.034 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 61 5.879 9.830 1.625 1.00 0.00 H new ATOM 0 HB VAL A 61 8.429 9.813 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.385 8.427 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.964 10.052 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.908 8.669 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.029 7.363 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.552 7.609 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.644 8.233 -0.736 1.00 0.00 H new ATOM 958 N LEU A 62 6.769 11.664 3.021 1.00 0.00 N ATOM 959 CA LEU A 62 7.223 12.776 3.849 1.00 0.00 C ATOM 960 C LEU A 62 7.467 12.306 5.280 1.00 0.00 C ATOM 961 O LEU A 62 6.550 12.286 6.101 1.00 0.00 O ATOM 962 CB LEU A 62 6.177 13.893 3.847 1.00 0.00 C ATOM 963 CG LEU A 62 6.706 15.088 4.641 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.839 15.758 3.862 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.574 16.095 4.858 1.00 0.00 C ATOM 0 H LEU A 62 6.152 11.005 3.496 1.00 0.00 H new ATOM 0 HA LEU A 62 8.157 13.157 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.952 14.193 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.246 13.535 4.286 1.00 0.00 H new ATOM 0 HG LEU A 62 7.081 14.746 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.216 16.610 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.645 15.042 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.464 16.101 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.949 16.948 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.201 16.436 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.765 15.619 5.412 1.00 0.00 H new ATOM 977 N VAL A 63 8.706 11.924 5.569 1.00 0.00 N ATOM 978 CA VAL A 63 9.053 11.434 6.899 1.00 0.00 C ATOM 979 C VAL A 63 10.052 12.366 7.575 1.00 0.00 C ATOM 980 O VAL A 63 11.043 12.776 6.971 1.00 0.00 O ATOM 981 CB VAL A 63 9.652 10.030 6.794 1.00 0.00 C ATOM 982 CG1 VAL A 63 9.973 9.506 8.194 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.645 9.096 6.120 1.00 0.00 C ATOM 0 H VAL A 63 9.482 11.943 4.907 1.00 0.00 H new ATOM 0 HA VAL A 63 8.145 11.401 7.501 1.00 0.00 H new ATOM 0 HB VAL A 63 10.566 10.069 6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.400 8.506 8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.690 10.171 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.059 9.467 8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.071 8.095 6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.731 9.058 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.415 9.468 5.122 1.00 0.00 H new ATOM 993 N THR A 64 9.786 12.693 8.836 1.00 0.00 N ATOM 994 CA THR A 64 10.674 13.568 9.593 1.00 0.00 C ATOM 995 C THR A 64 11.415 12.774 10.664 1.00 0.00 C ATOM 996 O THR A 64 10.835 11.910 11.322 1.00 0.00 O ATOM 997 CB THR A 64 9.868 14.689 10.252 1.00 0.00 C ATOM 998 OG1 THR A 64 9.156 15.407 9.253 1.00 0.00 O ATOM 999 CG2 THR A 64 10.815 15.637 10.988 1.00 0.00 C ATOM 0 H THR A 64 8.969 12.368 9.352 1.00 0.00 H new ATOM 0 HA THR A 64 11.401 14.002 8.906 1.00 0.00 H new ATOM 0 HB THR A 64 9.163 14.260 10.964 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.637 16.125 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.239 16.435 11.457 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.360 15.085 11.754 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.522 16.068 10.279 1.00 0.00 H new ATOM 1007 N PHE A 65 12.700 13.070 10.832 1.00 0.00 N ATOM 1008 CA PHE A 65 13.509 12.372 11.825 1.00 0.00 C ATOM 1009 C PHE A 65 14.113 13.358 12.819 1.00 0.00 C ATOM 1010 O PHE A 65 14.144 14.563 12.573 1.00 0.00 O ATOM 1011 CB PHE A 65 14.627 11.592 11.130 1.00 0.00 C ATOM 1012 CG PHE A 65 14.125 11.068 9.807 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.110 11.904 8.683 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.674 9.748 9.702 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.643 11.418 7.455 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.207 9.262 8.475 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.192 10.097 7.351 1.00 0.00 C ATOM 0 H PHE A 65 13.200 13.782 10.299 1.00 0.00 H new ATOM 0 HA PHE A 65 12.866 11.680 12.368 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.492 12.236 10.974 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.955 10.765 11.760 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.458 12.923 8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.686 9.103 10.568 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.631 12.063 6.588 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.858 8.243 8.395 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.833 9.722 6.404 1.00 0.00 H new ATOM 1027 N ASN A 66 14.592 12.835 13.943 1.00 0.00 N ATOM 1028 CA ASN A 66 15.200 13.677 14.969 1.00 0.00 C ATOM 1029 C ASN A 66 16.678 13.904 14.669 1.00 0.00 C ATOM 1030 O ASN A 66 17.314 13.101 13.987 1.00 0.00 O ATOM 1031 CB ASN A 66 15.052 13.016 16.341 1.00 0.00 C ATOM 1032 CG ASN A 66 15.386 14.018 17.441 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.698 15.027 17.592 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.408 13.798 18.223 1.00 0.00 N ATOM 0 H ASN A 66 14.572 11.840 14.166 1.00 0.00 H new ATOM 0 HA ASN A 66 14.689 14.640 14.972 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.034 12.649 16.469 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.713 12.152 16.411 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.638 14.463 18.961 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.977 12.961 18.096 1.00 0.00 H new ATOM 1041 N GLU A 67 17.218 15.003 15.185 1.00 0.00 N ATOM 1042 CA GLU A 67 18.622 15.327 14.966 1.00 0.00 C ATOM 1043 C GLU A 67 19.502 14.116 15.256 1.00 0.00 C ATOM 1044 O GLU A 67 20.410 13.797 14.489 1.00 0.00 O ATOM 1045 CB GLU A 67 19.038 16.489 15.870 1.00 0.00 C ATOM 1046 CG GLU A 67 20.565 16.564 15.938 1.00 0.00 C ATOM 1047 CD GLU A 67 20.998 17.942 16.425 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.136 18.702 16.834 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.186 18.217 16.382 1.00 0.00 O ATOM 0 H GLU A 67 16.709 15.680 15.754 1.00 0.00 H new ATOM 0 HA GLU A 67 18.750 15.615 13.923 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.634 17.425 15.485 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.626 16.351 16.870 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.945 15.795 16.611 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.991 16.366 14.954 1.00 0.00 H new ATOM 1056 N ASP A 68 19.223 13.442 16.367 1.00 0.00 N ATOM 1057 CA ASP A 68 20.000 12.270 16.754 1.00 0.00 C ATOM 1058 C ASP A 68 19.593 11.060 15.919 1.00 0.00 C ATOM 1059 O ASP A 68 18.980 10.121 16.426 1.00 0.00 O ATOM 1060 CB ASP A 68 19.782 11.965 18.237 1.00 0.00 C ATOM 1061 CG ASP A 68 20.396 13.068 19.092 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.121 13.882 18.543 1.00 0.00 O ATOM 1063 OD2 ASP A 68 20.131 13.084 20.283 1.00 0.00 O ATOM 0 H ASP A 68 18.470 13.685 17.011 1.00 0.00 H new ATOM 0 HA ASP A 68 21.055 12.482 16.578 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.716 11.882 18.447 1.00 0.00 H new ATOM 0 HB3 ASP A 68 20.232 11.005 18.489 1.00 0.00 H new ATOM 1068 N CYS A 69 19.937 11.090 14.635 1.00 0.00 N ATOM 1069 CA CYS A 69 19.614 9.983 13.742 1.00 0.00 C ATOM 1070 C CYS A 69 20.601 9.923 12.582 1.00 0.00 C ATOM 1071 O CYS A 69 20.623 10.808 11.726 1.00 0.00 O ATOM 1072 CB CYS A 69 18.193 10.148 13.198 1.00 0.00 C ATOM 1073 SG CYS A 69 17.059 10.488 14.567 1.00 0.00 S ATOM 0 H CYS A 69 20.435 11.862 14.193 1.00 0.00 H new ATOM 0 HA CYS A 69 19.681 9.054 14.308 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.161 10.963 12.475 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.886 9.243 12.673 1.00 0.00 H new ATOM 0 HG CYS A 69 17.635 10.186 15.693 1.00 0.00 H new ATOM 1079 N ASP A 70 21.415 8.873 12.558 1.00 0.00 N ATOM 1080 CA ASP A 70 22.403 8.709 11.496 1.00 0.00 C ATOM 1081 C ASP A 70 21.734 8.216 10.218 1.00 0.00 C ATOM 1082 O ASP A 70 21.746 7.021 9.919 1.00 0.00 O ATOM 1083 CB ASP A 70 23.477 7.710 11.932 1.00 0.00 C ATOM 1084 CG ASP A 70 24.680 7.800 10.999 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.650 8.626 10.102 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.616 7.043 11.196 1.00 0.00 O ATOM 0 H ASP A 70 21.412 8.128 13.255 1.00 0.00 H new ATOM 0 HA ASP A 70 22.866 9.676 11.301 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.784 7.918 12.957 1.00 0.00 H new ATOM 0 HB3 ASP A 70 23.071 6.698 11.920 1.00 0.00 H new ATOM 1091 N ILE A 71 21.148 9.144 9.468 1.00 0.00 N ATOM 1092 CA ILE A 71 20.458 8.791 8.232 1.00 0.00 C ATOM 1093 C ILE A 71 21.045 9.559 7.051 1.00 0.00 C ATOM 1094 O ILE A 71 21.692 10.592 7.231 1.00 0.00 O ATOM 1095 CB ILE A 71 18.967 9.106 8.360 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.788 10.595 8.668 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.365 8.276 9.494 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.297 10.918 8.782 1.00 0.00 C ATOM 0 H ILE A 71 21.137 10.139 9.692 1.00 0.00 H new ATOM 0 HA ILE A 71 20.590 7.723 8.056 1.00 0.00 H new ATOM 0 HB ILE A 71 18.462 8.863 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.298 10.849 9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.242 11.197 7.881 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.302 8.501 9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.494 7.216 9.277 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.869 8.519 10.430 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.170 11.978 9.001 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.800 10.680 7.841 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.857 10.326 9.585 1.00 0.00 H new ATOM 1110 N LYS A 72 20.817 9.049 5.845 1.00 0.00 N ATOM 1111 CA LYS A 72 21.328 9.697 4.644 1.00 0.00 C ATOM 1112 C LYS A 72 20.252 9.755 3.564 1.00 0.00 C ATOM 1113 O LYS A 72 19.242 9.055 3.642 1.00 0.00 O ATOM 1114 CB LYS A 72 22.541 8.929 4.114 1.00 0.00 C ATOM 1115 CG LYS A 72 23.317 9.813 3.134 1.00 0.00 C ATOM 1116 CD LYS A 72 24.570 9.073 2.662 1.00 0.00 C ATOM 1117 CE LYS A 72 25.109 9.738 1.394 1.00 0.00 C ATOM 1118 NZ LYS A 72 25.286 11.198 1.636 1.00 0.00 N ATOM 0 H LYS A 72 20.286 8.195 5.674 1.00 0.00 H new ATOM 0 HA LYS A 72 21.623 10.714 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 72 23.186 8.631 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.217 8.014 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.688 10.067 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.595 10.751 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 72 25.330 9.087 3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.335 8.027 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 72 26.060 9.288 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 72 24.420 9.577 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 25.933 11.592 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 24.365 11.675 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 25.684 11.347 2.585 1.00 0.00 H new ATOM 1132 N ALA A 73 20.475 10.594 2.556 1.00 0.00 N ATOM 1133 CA ALA A 73 19.511 10.745 1.473 1.00 0.00 C ATOM 1134 C ALA A 73 19.917 9.896 0.273 1.00 0.00 C ATOM 1135 O ALA A 73 21.102 9.773 -0.039 1.00 0.00 O ATOM 1136 CB ALA A 73 19.421 12.214 1.055 1.00 0.00 C ATOM 0 H ALA A 73 21.309 11.175 2.468 1.00 0.00 H new ATOM 0 HA ALA A 73 18.537 10.409 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.699 12.318 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.102 12.816 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.399 12.556 0.715 1.00 0.00 H new ATOM 1142 N LEU A 74 18.928 9.311 -0.395 1.00 0.00 N ATOM 1143 CA LEU A 74 19.195 8.485 -1.566 1.00 0.00 C ATOM 1144 C LEU A 74 18.501 9.058 -2.798 1.00 0.00 C ATOM 1145 O LEU A 74 17.642 9.932 -2.686 1.00 0.00 O ATOM 1146 CB LEU A 74 18.707 7.056 -1.318 1.00 0.00 C ATOM 1147 CG LEU A 74 19.190 6.583 0.053 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.560 5.229 0.379 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.714 6.444 0.034 1.00 0.00 C ATOM 0 H LEU A 74 17.942 9.393 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 74 20.270 8.476 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.619 7.019 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.082 6.392 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 74 18.898 7.310 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.905 4.893 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.474 5.326 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.850 4.501 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 74 21.061 6.107 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 74 21.004 5.717 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.165 7.409 -0.198 1.00 0.00 H new ATOM 1161 N GLY A 75 18.879 8.560 -3.970 1.00 0.00 N ATOM 1162 CA GLY A 75 18.274 9.020 -5.216 1.00 0.00 C ATOM 1163 C GLY A 75 18.222 10.542 -5.265 1.00 0.00 C ATOM 1164 O GLY A 75 19.211 11.216 -4.977 1.00 0.00 O ATOM 0 H GLY A 75 19.596 7.843 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.847 8.644 -6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.266 8.614 -5.307 1.00 0.00 H new ATOM 1168 N LYS A 76 17.063 11.079 -5.632 1.00 0.00 N ATOM 1169 CA LYS A 76 16.896 12.524 -5.723 1.00 0.00 C ATOM 1170 C LYS A 76 16.329 13.080 -4.421 1.00 0.00 C ATOM 1171 O LYS A 76 16.241 14.294 -4.239 1.00 0.00 O ATOM 1172 CB LYS A 76 15.957 12.870 -6.880 1.00 0.00 C ATOM 1173 CG LYS A 76 14.505 12.782 -6.404 1.00 0.00 C ATOM 1174 CD LYS A 76 13.578 12.646 -7.613 1.00 0.00 C ATOM 1175 CE LYS A 76 12.158 13.057 -7.218 1.00 0.00 C ATOM 1176 NZ LYS A 76 11.253 12.907 -8.392 1.00 0.00 N ATOM 0 H LYS A 76 16.231 10.539 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 76 17.873 12.973 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.170 13.874 -7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.120 12.185 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.380 11.927 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.245 13.672 -5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.935 13.273 -8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.583 11.618 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.805 12.439 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.151 14.090 -6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.288 13.186 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.587 13.515 -9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.252 11.915 -8.705 1.00 0.00 H new ATOM 1190 N THR A 77 15.946 12.183 -3.518 1.00 0.00 N ATOM 1191 CA THR A 77 15.367 12.594 -2.245 1.00 0.00 C ATOM 1192 C THR A 77 16.165 13.745 -1.642 1.00 0.00 C ATOM 1193 O THR A 77 17.375 13.637 -1.441 1.00 0.00 O ATOM 1194 CB THR A 77 15.356 11.413 -1.271 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.613 10.342 -1.837 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.712 11.843 0.048 1.00 0.00 C ATOM 0 H THR A 77 16.025 11.174 -3.643 1.00 0.00 H new ATOM 0 HA THR A 77 14.345 12.928 -2.422 1.00 0.00 H new ATOM 0 HB THR A 77 16.379 11.087 -1.083 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.174 9.539 -1.875 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.705 11.001 0.741 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.283 12.664 0.481 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.689 12.170 -0.136 1.00 0.00 H new ATOM 1204 N LYS A 78 15.480 14.847 -1.355 1.00 0.00 N ATOM 1205 CA LYS A 78 16.137 16.012 -0.771 1.00 0.00 C ATOM 1206 C LYS A 78 16.202 15.884 0.747 1.00 0.00 C ATOM 1207 O LYS A 78 15.197 15.602 1.400 1.00 0.00 O ATOM 1208 CB LYS A 78 15.373 17.283 -1.147 1.00 0.00 C ATOM 1209 CG LYS A 78 16.223 18.508 -0.800 1.00 0.00 C ATOM 1210 CD LYS A 78 15.350 19.764 -0.845 1.00 0.00 C ATOM 1211 CE LYS A 78 14.721 19.901 -2.233 1.00 0.00 C ATOM 1212 NZ LYS A 78 15.734 19.562 -3.272 1.00 0.00 N ATOM 0 H LYS A 78 14.479 14.958 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 78 17.153 16.070 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.139 17.279 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.424 17.322 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.660 18.391 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 78 17.050 18.601 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.570 19.705 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.950 20.645 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.859 19.240 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.359 20.918 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.507 20.062 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.678 19.850 -2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.726 18.536 -3.444 1.00 0.00 H new ATOM 1226 N LEU A 79 17.391 16.092 1.303 1.00 0.00 N ATOM 1227 CA LEU A 79 17.576 15.992 2.746 1.00 0.00 C ATOM 1228 C LEU A 79 18.099 17.309 3.312 1.00 0.00 C ATOM 1229 O LEU A 79 19.084 17.860 2.819 1.00 0.00 O ATOM 1230 CB LEU A 79 18.563 14.869 3.068 1.00 0.00 C ATOM 1231 CG LEU A 79 18.860 14.865 4.569 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.550 14.726 5.348 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.778 13.687 4.903 1.00 0.00 C ATOM 0 H LEU A 79 18.235 16.329 0.781 1.00 0.00 H new ATOM 0 HA LEU A 79 16.611 15.771 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.147 13.908 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.485 15.009 2.504 1.00 0.00 H new ATOM 0 HG LEU A 79 19.350 15.799 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.761 14.723 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.894 15.564 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.060 13.792 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.990 13.683 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.287 12.754 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.711 13.784 4.348 1.00 0.00 H new ATOM 1245 N GLU A 80 17.434 17.807 4.348 1.00 0.00 N ATOM 1246 CA GLU A 80 17.837 19.063 4.970 1.00 0.00 C ATOM 1247 C GLU A 80 17.458 19.074 6.448 1.00 0.00 C ATOM 1248 O GLU A 80 16.462 18.470 6.847 1.00 0.00 O ATOM 1249 CB GLU A 80 17.164 20.238 4.259 1.00 0.00 C ATOM 1250 CG GLU A 80 17.566 21.546 4.942 1.00 0.00 C ATOM 1251 CD GLU A 80 19.075 21.743 4.845 1.00 0.00 C ATOM 1252 OE1 GLU A 80 19.665 21.198 3.927 1.00 0.00 O ATOM 1253 OE2 GLU A 80 19.618 22.435 5.690 1.00 0.00 O ATOM 0 H GLU A 80 16.619 17.364 4.773 1.00 0.00 H new ATOM 0 HA GLU A 80 18.919 19.159 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.458 20.258 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.081 20.120 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.051 22.384 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.260 21.529 5.988 1.00 0.00 H new ATOM 1260 N GLN A 81 18.258 19.764 7.254 1.00 0.00 N ATOM 1261 CA GLN A 81 17.989 19.856 8.685 1.00 0.00 C ATOM 1262 C GLN A 81 17.400 21.219 9.032 1.00 0.00 C ATOM 1263 O GLN A 81 17.710 22.222 8.388 1.00 0.00 O ATOM 1264 CB GLN A 81 19.282 19.639 9.473 1.00 0.00 C ATOM 1265 CG GLN A 81 18.956 19.522 10.963 1.00 0.00 C ATOM 1266 CD GLN A 81 20.232 19.253 11.756 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.292 19.035 11.171 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.191 19.255 13.060 1.00 0.00 N ATOM 0 H GLN A 81 19.091 20.264 6.945 1.00 0.00 H new ATOM 0 HA GLN A 81 17.268 19.084 8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.784 18.735 9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 81 19.968 20.469 9.304 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.486 20.441 11.314 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.240 18.716 11.125 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.311 19.436 13.542 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.039 19.076 13.597 1.00 0.00 H new ATOM 1277 N GLN A 82 16.552 21.248 10.054 1.00 0.00 N ATOM 1278 CA GLN A 82 15.922 22.494 10.477 1.00 0.00 C ATOM 1279 C GLN A 82 16.616 23.052 11.715 1.00 0.00 C ATOM 1280 O GLN A 82 17.437 22.375 12.335 1.00 0.00 O ATOM 1281 CB GLN A 82 14.443 22.254 10.783 1.00 0.00 C ATOM 1282 CG GLN A 82 13.918 21.115 9.906 1.00 0.00 C ATOM 1283 CD GLN A 82 14.280 21.373 8.447 1.00 0.00 C ATOM 1284 OE1 GLN A 82 14.798 20.411 7.733 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 14.084 22.479 7.944 1.00 0.00 N flip ATOM 0 H GLN A 82 16.286 20.430 10.602 1.00 0.00 H new ATOM 0 HA GLN A 82 16.012 23.218 9.667 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.315 22.005 11.836 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.870 23.163 10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.344 20.167 10.233 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.836 21.032 10.012 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.679 23.229 8.504 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.326 22.645 6.967 1.00 0.00 H new ATOM 1294 N GLU A 83 16.282 24.288 12.069 1.00 0.00 N ATOM 1295 CA GLU A 83 16.880 24.926 13.236 1.00 0.00 C ATOM 1296 C GLU A 83 16.473 24.198 14.513 1.00 0.00 C ATOM 1297 O GLU A 83 17.272 24.053 15.438 1.00 0.00 O ATOM 1298 CB GLU A 83 16.436 26.388 13.318 1.00 0.00 C ATOM 1299 CG GLU A 83 16.835 27.115 12.032 1.00 0.00 C ATOM 1300 CD GLU A 83 16.486 28.595 12.140 1.00 0.00 C ATOM 1301 OE1 GLU A 83 15.801 28.954 13.083 1.00 0.00 O ATOM 1302 OE2 GLU A 83 16.909 29.348 11.278 1.00 0.00 O ATOM 0 H GLU A 83 15.605 24.865 11.569 1.00 0.00 H new ATOM 0 HA GLU A 83 17.964 24.880 13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.357 26.444 13.460 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.897 26.871 14.180 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.904 26.997 11.854 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.320 26.673 11.180 1.00 0.00 H new ATOM 1309 N ASN A 84 15.226 23.741 14.555 1.00 0.00 N ATOM 1310 CA ASN A 84 14.721 23.030 15.724 1.00 0.00 C ATOM 1311 C ASN A 84 15.582 21.806 16.021 1.00 0.00 C ATOM 1312 O ASN A 84 15.637 21.336 17.158 1.00 0.00 O ATOM 1313 CB ASN A 84 13.275 22.592 15.485 1.00 0.00 C ATOM 1314 CG ASN A 84 13.162 21.881 14.141 1.00 0.00 C ATOM 1315 OD1 ASN A 84 13.955 20.878 13.876 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.332 22.249 13.310 1.00 0.00 N flip ATOM 0 H ASN A 84 14.550 23.849 13.799 1.00 0.00 H new ATOM 0 HA ASN A 84 14.760 23.704 16.580 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.950 21.928 16.286 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.616 23.460 15.504 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.714 23.033 13.519 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.262 21.770 12.412 1.00 0.00 H new ATOM 1323 N GLY A 85 16.251 21.297 14.993 1.00 0.00 N ATOM 1324 CA GLY A 85 17.116 20.135 15.158 1.00 0.00 C ATOM 1325 C GLY A 85 16.418 18.866 14.681 1.00 0.00 C ATOM 1326 O GLY A 85 16.354 17.871 15.403 1.00 0.00 O ATOM 0 H GLY A 85 16.212 21.667 14.043 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.039 20.281 14.596 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.394 20.030 16.207 1.00 0.00 H new ATOM 1330 N GLU A 86 15.894 18.909 13.460 1.00 0.00 N ATOM 1331 CA GLU A 86 15.219 17.749 12.889 1.00 0.00 C ATOM 1332 C GLU A 86 15.592 17.582 11.419 1.00 0.00 C ATOM 1333 O GLU A 86 15.907 18.555 10.734 1.00 0.00 O ATOM 1334 CB GLU A 86 13.703 17.913 13.015 1.00 0.00 C ATOM 1335 CG GLU A 86 13.310 17.920 14.494 1.00 0.00 C ATOM 1336 CD GLU A 86 11.795 18.023 14.629 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.145 18.263 13.626 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.307 17.860 15.736 1.00 0.00 O ATOM 0 H GLU A 86 15.923 19.727 12.851 1.00 0.00 H new ATOM 0 HA GLU A 86 15.536 16.862 13.437 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.386 18.841 12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.195 17.100 12.497 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.666 17.010 14.978 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.787 18.758 15.002 1.00 0.00 H new ATOM 1345 N TRP A 87 15.553 16.342 10.941 1.00 0.00 N ATOM 1346 CA TRP A 87 15.885 16.059 9.549 1.00 0.00 C ATOM 1347 C TRP A 87 14.619 15.808 8.737 1.00 0.00 C ATOM 1348 O TRP A 87 13.682 15.167 9.214 1.00 0.00 O ATOM 1349 CB TRP A 87 16.798 14.833 9.467 1.00 0.00 C ATOM 1350 CG TRP A 87 18.131 15.163 10.057 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.489 14.940 11.342 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.290 15.762 9.408 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.793 15.365 11.524 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.331 15.876 10.360 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.539 16.211 8.098 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.571 16.420 10.026 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.786 16.761 7.759 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.798 16.867 8.722 1.00 0.00 C ATOM 0 H TRP A 87 15.297 15.523 11.492 1.00 0.00 H new ATOM 0 HA TRP A 87 16.403 16.925 9.136 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.349 13.996 10.002 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.915 14.522 8.429 1.00 0.00 H new ATOM 0 HD1 TRP A 87 17.860 14.502 12.102 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.295 15.308 12.410 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.766 16.132 7.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.350 16.495 10.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.966 17.104 6.751 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.754 17.294 8.456 1.00 0.00 H new ATOM 1369 N VAL A 88 14.597 16.317 7.510 1.00 0.00 N ATOM 1370 CA VAL A 88 13.439 16.140 6.642 1.00 0.00 C ATOM 1371 C VAL A 88 13.852 15.499 5.321 1.00 0.00 C ATOM 1372 O VAL A 88 14.833 15.908 4.701 1.00 0.00 O ATOM 1373 CB VAL A 88 12.778 17.493 6.370 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.630 17.310 5.376 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.231 18.064 7.680 1.00 0.00 C ATOM 0 H VAL A 88 15.361 16.851 7.097 1.00 0.00 H new ATOM 0 HA VAL A 88 12.729 15.483 7.145 1.00 0.00 H new ATOM 0 HB VAL A 88 13.514 18.180 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.159 18.274 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.018 16.902 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.893 16.624 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.760 19.028 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.495 17.377 8.097 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.048 18.195 8.389 1.00 0.00 H new ATOM 1385 N ALA A 89 13.096 14.490 4.898 1.00 0.00 N ATOM 1386 CA ALA A 89 13.391 13.800 3.647 1.00 0.00 C ATOM 1387 C ALA A 89 12.106 13.522 2.873 1.00 0.00 C ATOM 1388 O ALA A 89 11.322 12.649 3.247 1.00 0.00 O ATOM 1389 CB ALA A 89 14.111 12.481 3.935 1.00 0.00 C ATOM 0 H ALA A 89 12.281 14.134 5.398 1.00 0.00 H new ATOM 0 HA ALA A 89 14.034 14.440 3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.328 11.972 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 89 15.044 12.683 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.475 11.847 4.553 1.00 0.00 H new ATOM 1395 N SER A 90 11.895 14.270 1.796 1.00 0.00 N ATOM 1396 CA SER A 90 10.689 14.113 0.993 1.00 0.00 C ATOM 1397 C SER A 90 11.043 13.727 -0.439 1.00 0.00 C ATOM 1398 O SER A 90 12.048 14.182 -0.985 1.00 0.00 O ATOM 1399 CB SER A 90 9.890 15.417 0.989 1.00 0.00 C ATOM 1400 OG SER A 90 10.584 16.389 0.218 1.00 0.00 O ATOM 0 H SER A 90 12.539 14.987 1.461 1.00 0.00 H new ATOM 0 HA SER A 90 10.085 13.319 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.897 15.247 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.752 15.776 2.009 1.00 0.00 H new ATOM 0 HG SER A 90 10.074 17.226 0.211 1.00 0.00 H new ATOM 1406 N VAL A 91 10.209 12.888 -1.044 1.00 0.00 N ATOM 1407 CA VAL A 91 10.432 12.461 -2.420 1.00 0.00 C ATOM 1408 C VAL A 91 9.150 11.887 -3.015 1.00 0.00 C ATOM 1409 O VAL A 91 8.431 11.136 -2.355 1.00 0.00 O ATOM 1410 CB VAL A 91 11.536 11.406 -2.467 1.00 0.00 C ATOM 1411 CG1 VAL A 91 11.005 10.084 -1.909 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.986 11.203 -3.916 1.00 0.00 C ATOM 0 H VAL A 91 9.377 12.492 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 91 10.735 13.328 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 91 12.382 11.740 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.793 9.332 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.684 10.227 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.159 9.750 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.774 10.450 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 91 11.140 10.870 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.366 12.144 -4.314 1.00 0.00 H new ATOM 1422 N VAL A 92 8.870 12.245 -4.263 1.00 0.00 N ATOM 1423 CA VAL A 92 7.664 11.769 -4.932 1.00 0.00 C ATOM 1424 C VAL A 92 7.961 10.515 -5.748 1.00 0.00 C ATOM 1425 O VAL A 92 8.977 10.437 -6.439 1.00 0.00 O ATOM 1426 CB VAL A 92 7.114 12.860 -5.852 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.880 12.334 -6.588 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.727 14.082 -5.017 1.00 0.00 C ATOM 0 H VAL A 92 9.456 12.859 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 92 6.922 11.525 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 92 7.877 13.141 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.488 13.112 -7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.155 11.463 -7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.117 12.052 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.335 14.860 -5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.964 13.800 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.606 14.457 -4.493 1.00 0.00 H new ATOM 1438 N VAL A 93 7.066 9.536 -5.663 1.00 0.00 N ATOM 1439 CA VAL A 93 7.239 8.289 -6.400 1.00 0.00 C ATOM 1440 C VAL A 93 6.114 8.107 -7.412 1.00 0.00 C ATOM 1441 O VAL A 93 4.935 8.188 -7.065 1.00 0.00 O ATOM 1442 CB VAL A 93 7.250 7.106 -5.431 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.607 5.827 -6.190 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.291 7.355 -4.336 1.00 0.00 C ATOM 0 H VAL A 93 6.220 9.581 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 93 8.190 8.332 -6.931 1.00 0.00 H new ATOM 0 HB VAL A 93 6.264 6.997 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.615 4.984 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.868 5.649 -6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.593 5.935 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.300 6.513 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.277 7.463 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.038 8.266 -3.794 1.00 0.00 H new ATOM 1454 N TYR A 94 6.483 7.863 -8.665 1.00 0.00 N ATOM 1455 CA TYR A 94 5.494 7.680 -9.720 1.00 0.00 C ATOM 1456 C TYR A 94 5.107 6.209 -9.842 1.00 0.00 C ATOM 1457 O TYR A 94 5.885 5.321 -9.497 1.00 0.00 O ATOM 1458 CB TYR A 94 6.056 8.177 -11.054 1.00 0.00 C ATOM 1459 CG TYR A 94 6.155 9.683 -11.027 1.00 0.00 C ATOM 1460 CD1 TYR A 94 4.994 10.459 -10.922 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.407 10.303 -11.098 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.086 11.855 -10.891 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.500 11.699 -11.069 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.339 12.476 -10.965 1.00 0.00 C ATOM 1465 OH TYR A 94 6.430 13.852 -10.937 1.00 0.00 O ATOM 0 H TYR A 94 7.452 7.788 -8.973 1.00 0.00 H new ATOM 0 HA TYR A 94 4.605 8.257 -9.464 1.00 0.00 H new ATOM 0 HB2 TYR A 94 7.039 7.740 -11.232 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.412 7.859 -11.874 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.028 9.980 -10.865 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.302 9.704 -11.175 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.191 12.453 -10.810 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.467 12.177 -11.127 1.00 0.00 H new ATOM 0 HH TYR A 94 7.371 14.119 -10.996 1.00 0.00 H new ATOM 1475 N PRO A 95 3.922 5.946 -10.322 1.00 0.00 N ATOM 1476 CA PRO A 95 3.404 4.555 -10.472 1.00 0.00 C ATOM 1477 C PRO A 95 4.293 3.705 -11.375 1.00 0.00 C ATOM 1478 O PRO A 95 4.958 4.222 -12.273 1.00 0.00 O ATOM 1479 CB PRO A 95 2.013 4.739 -11.089 1.00 0.00 C ATOM 1480 CG PRO A 95 1.996 6.126 -11.643 1.00 0.00 C ATOM 1481 CD PRO A 95 2.938 6.957 -10.775 1.00 0.00 C ATOM 0 HA PRO A 95 3.380 4.027 -9.519 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.832 4.003 -11.872 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.232 4.607 -10.340 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.322 6.131 -12.683 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.987 6.538 -11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.411 7.760 -11.341 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.417 7.421 -9.938 1.00 0.00 H new ATOM 1489 N CYS A 96 4.298 2.399 -11.131 1.00 0.00 N ATOM 1490 CA CYS A 96 5.109 1.485 -11.928 1.00 0.00 C ATOM 1491 C CYS A 96 6.582 1.876 -11.853 1.00 0.00 C ATOM 1492 O CYS A 96 7.331 1.695 -12.813 1.00 0.00 O ATOM 1493 CB CYS A 96 4.644 1.511 -13.384 1.00 0.00 C ATOM 1494 SG CYS A 96 2.850 1.283 -13.449 1.00 0.00 S ATOM 0 H CYS A 96 3.754 1.952 -10.393 1.00 0.00 H new ATOM 0 HA CYS A 96 4.991 0.478 -11.528 1.00 0.00 H new ATOM 0 HB2 CYS A 96 4.918 2.459 -13.847 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.142 0.724 -13.950 1.00 0.00 H new ATOM 0 HG CYS A 96 2.454 1.307 -14.687 1.00 0.00 H new ATOM 1500 N GLU A 97 6.989 2.411 -10.707 1.00 0.00 N ATOM 1501 CA GLU A 97 8.375 2.822 -10.516 1.00 0.00 C ATOM 1502 C GLU A 97 8.779 2.678 -9.053 1.00 0.00 C ATOM 1503 O GLU A 97 7.933 2.705 -8.159 1.00 0.00 O ATOM 1504 CB GLU A 97 8.554 4.277 -10.956 1.00 0.00 C ATOM 1505 CG GLU A 97 10.041 4.567 -11.166 1.00 0.00 C ATOM 1506 CD GLU A 97 10.239 6.034 -11.534 1.00 0.00 C ATOM 1507 OE1 GLU A 97 9.260 6.764 -11.522 1.00 0.00 O ATOM 1508 OE2 GLU A 97 11.364 6.405 -11.823 1.00 0.00 O ATOM 0 H GLU A 97 6.384 2.569 -9.901 1.00 0.00 H new ATOM 0 HA GLU A 97 9.012 2.178 -11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.003 4.459 -11.879 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.144 4.949 -10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.597 4.333 -10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.437 3.929 -11.956 1.00 0.00 H new ATOM 1515 N THR A 98 10.078 2.527 -8.814 1.00 0.00 N ATOM 1516 CA THR A 98 10.585 2.386 -7.453 1.00 0.00 C ATOM 1517 C THR A 98 11.864 3.197 -7.273 1.00 0.00 C ATOM 1518 O THR A 98 12.867 2.948 -7.941 1.00 0.00 O ATOM 1519 CB THR A 98 10.865 0.912 -7.149 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.867 0.107 -7.760 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.848 0.690 -5.636 1.00 0.00 C ATOM 0 H THR A 98 10.795 2.499 -9.539 1.00 0.00 H new ATOM 0 HA THR A 98 9.830 2.761 -6.762 1.00 0.00 H new ATOM 0 HB THR A 98 11.844 0.638 -7.543 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.152 -0.137 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.047 -0.360 -5.420 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.614 1.309 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.870 0.963 -5.239 1.00 0.00 H new ATOM 1529 N GLU A 99 11.820 4.167 -6.365 1.00 0.00 N ATOM 1530 CA GLU A 99 12.975 5.025 -6.124 1.00 0.00 C ATOM 1531 C GLU A 99 13.512 4.820 -4.712 1.00 0.00 C ATOM 1532 O GLU A 99 12.830 4.260 -3.853 1.00 0.00 O ATOM 1533 CB GLU A 99 12.584 6.492 -6.316 1.00 0.00 C ATOM 1534 CG GLU A 99 12.015 6.690 -7.721 1.00 0.00 C ATOM 1535 CD GLU A 99 13.106 6.463 -8.763 1.00 0.00 C ATOM 1536 OE1 GLU A 99 14.267 6.479 -8.389 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.763 6.275 -9.919 1.00 0.00 O ATOM 0 H GLU A 99 11.005 4.378 -5.789 1.00 0.00 H new ATOM 0 HA GLU A 99 13.755 4.760 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.845 6.783 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.454 7.133 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.190 5.997 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.610 7.697 -7.820 1.00 0.00 H new ATOM 1544 N MET A 100 14.738 5.277 -4.479 1.00 0.00 N ATOM 1545 CA MET A 100 15.355 5.145 -3.163 1.00 0.00 C ATOM 1546 C MET A 100 14.914 6.282 -2.248 1.00 0.00 C ATOM 1547 O MET A 100 14.554 7.363 -2.714 1.00 0.00 O ATOM 1548 CB MET A 100 16.879 5.159 -3.298 1.00 0.00 C ATOM 1549 CG MET A 100 17.314 4.100 -4.312 1.00 0.00 C ATOM 1550 SD MET A 100 16.755 2.470 -3.758 1.00 0.00 S ATOM 1551 CE MET A 100 17.747 2.391 -2.247 1.00 0.00 C ATOM 0 H MET A 100 15.320 5.739 -5.178 1.00 0.00 H new ATOM 0 HA MET A 100 15.037 4.198 -2.726 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.217 6.144 -3.619 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.342 4.963 -2.331 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.895 4.326 -5.293 1.00 0.00 H new ATOM 0 HG3 MET A 100 18.399 4.107 -4.419 1.00 0.00 H new ATOM 0 HE1 MET A 100 17.767 1.366 -1.878 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.764 2.719 -2.462 1.00 0.00 H new ATOM 0 HE3 MET A 100 17.309 3.041 -1.490 1.00 0.00 H new ATOM 1561 N PHE A 101 14.947 6.031 -0.943 1.00 0.00 N ATOM 1562 CA PHE A 101 14.537 7.038 0.028 1.00 0.00 C ATOM 1563 C PHE A 101 15.708 7.422 0.927 1.00 0.00 C ATOM 1564 O PHE A 101 16.572 8.206 0.535 1.00 0.00 O ATOM 1565 CB PHE A 101 13.388 6.503 0.885 1.00 0.00 C ATOM 1566 CG PHE A 101 12.914 7.587 1.822 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.734 8.892 1.348 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.612 7.279 3.155 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.263 9.891 2.207 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.140 8.280 4.014 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.965 9.585 3.541 1.00 0.00 C ATOM 0 H PHE A 101 15.251 5.146 -0.536 1.00 0.00 H new ATOM 0 HA PHE A 101 14.203 7.923 -0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.567 6.174 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.718 5.634 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.959 9.128 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.743 6.271 3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.129 10.898 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.911 8.044 5.043 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.600 10.356 4.204 1.00 0.00 H new ATOM 1581 N ILE A 102 15.729 6.867 2.134 1.00 0.00 N ATOM 1582 CA ILE A 102 16.803 7.152 3.078 1.00 0.00 C ATOM 1583 C ILE A 102 17.363 5.858 3.659 1.00 0.00 C ATOM 1584 O ILE A 102 16.686 4.830 3.678 1.00 0.00 O ATOM 1585 CB ILE A 102 16.281 8.039 4.209 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.307 7.238 5.076 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.557 9.249 3.617 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.092 6.429 6.111 1.00 0.00 C ATOM 0 H ILE A 102 15.019 6.221 2.480 1.00 0.00 H new ATOM 0 HA ILE A 102 17.600 7.672 2.547 1.00 0.00 H new ATOM 0 HB ILE A 102 17.118 8.379 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.611 7.911 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.712 6.571 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.185 9.881 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.249 9.820 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.720 8.910 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.399 5.858 6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.770 5.745 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.667 7.106 6.742 1.00 0.00 H new ATOM 1600 N GLU A 103 18.604 5.917 4.134 1.00 0.00 N ATOM 1601 CA GLU A 103 19.239 4.747 4.729 1.00 0.00 C ATOM 1602 C GLU A 103 19.905 5.112 6.052 1.00 0.00 C ATOM 1603 O GLU A 103 19.820 6.253 6.507 1.00 0.00 O ATOM 1604 CB GLU A 103 20.285 4.177 3.770 1.00 0.00 C ATOM 1605 CG GLU A 103 21.437 5.171 3.619 1.00 0.00 C ATOM 1606 CD GLU A 103 22.462 4.635 2.626 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.282 3.521 2.163 1.00 0.00 O ATOM 1608 OE2 GLU A 103 23.412 5.346 2.343 1.00 0.00 O ATOM 0 H GLU A 103 19.185 6.755 4.119 1.00 0.00 H new ATOM 0 HA GLU A 103 18.471 3.997 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.659 3.225 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.833 3.979 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.056 6.133 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.910 5.342 4.586 1.00 0.00 H new ATOM 1615 N GLY A 104 20.566 4.136 6.666 1.00 0.00 N ATOM 1616 CA GLY A 104 21.250 4.369 7.933 1.00 0.00 C ATOM 1617 C GLY A 104 20.396 3.899 9.107 1.00 0.00 C ATOM 1618 O GLY A 104 19.531 3.037 8.951 1.00 0.00 O ATOM 0 H GLY A 104 20.642 3.183 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.204 3.842 7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.472 5.431 8.041 1.00 0.00 H new ATOM 1622 N ARG A 105 20.644 4.472 10.280 1.00 0.00 N ATOM 1623 CA ARG A 105 19.898 4.097 11.475 1.00 0.00 C ATOM 1624 C ARG A 105 18.753 5.074 11.718 1.00 0.00 C ATOM 1625 O ARG A 105 18.878 6.270 11.452 1.00 0.00 O ATOM 1626 CB ARG A 105 20.828 4.085 12.690 1.00 0.00 C ATOM 1627 CG ARG A 105 20.087 3.507 13.898 1.00 0.00 C ATOM 1628 CD ARG A 105 21.011 3.516 15.116 1.00 0.00 C ATOM 1629 NE ARG A 105 20.359 2.871 16.249 1.00 0.00 N ATOM 1630 CZ ARG A 105 21.051 2.498 17.321 1.00 0.00 C ATOM 1631 NH1 ARG A 105 22.338 2.707 17.371 1.00 0.00 N ATOM 1632 NH2 ARG A 105 20.443 1.920 18.321 1.00 0.00 N ATOM 0 H ARG A 105 21.351 5.193 10.428 1.00 0.00 H new ATOM 0 HA ARG A 105 19.485 3.099 11.325 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.715 3.489 12.476 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.169 5.097 12.910 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.192 4.094 14.103 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.760 2.490 13.684 1.00 0.00 H new ATOM 0 HD2 ARG A 105 21.941 2.999 14.880 1.00 0.00 H new ATOM 0 HD3 ARG A 105 21.274 4.542 15.374 1.00 0.00 H new ATOM 0 HE ARG A 105 19.353 2.703 16.219 1.00 0.00 H new ATOM 0 HH11 ARG A 105 22.813 3.156 16.588 1.00 0.00 H new ATOM 0 HH12 ARG A 105 22.870 2.421 18.193 1.00 0.00 H new ATOM 0 HH21 ARG A 105 19.437 1.755 18.280 1.00 0.00 H new ATOM 0 HH22 ARG A 105 20.974 1.634 19.144 1.00 0.00 H new ATOM 1646 N VAL A 106 17.635 4.559 12.222 1.00 0.00 N ATOM 1647 CA VAL A 106 16.475 5.400 12.495 1.00 0.00 C ATOM 1648 C VAL A 106 15.947 5.151 13.904 1.00 0.00 C ATOM 1649 O VAL A 106 15.856 4.008 14.352 1.00 0.00 O ATOM 1650 CB VAL A 106 15.370 5.109 11.478 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.354 6.253 11.485 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.985 4.985 10.081 1.00 0.00 C ATOM 0 H VAL A 106 17.508 3.572 12.448 1.00 0.00 H new ATOM 0 HA VAL A 106 16.781 6.443 12.414 1.00 0.00 H new ATOM 0 HB VAL A 106 14.870 4.177 11.742 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.567 6.045 10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.917 6.345 12.479 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.854 7.185 11.221 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.199 4.778 9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.484 5.918 9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.710 4.171 10.074 1.00 0.00 H new ATOM 1662 N ASN A 107 15.597 6.231 14.596 1.00 0.00 N ATOM 1663 CA ASN A 107 15.077 6.125 15.954 1.00 0.00 C ATOM 1664 C ASN A 107 14.011 7.189 16.198 1.00 0.00 C ATOM 1665 O ASN A 107 14.284 8.386 16.104 1.00 0.00 O ATOM 1666 CB ASN A 107 16.213 6.297 16.964 1.00 0.00 C ATOM 1667 CG ASN A 107 17.325 7.148 16.361 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.822 6.844 15.276 1.00 0.00 O ATOM 1669 ND2 ASN A 107 17.747 8.203 17.002 1.00 0.00 N ATOM 0 H ASN A 107 15.664 7.185 14.241 1.00 0.00 H new ATOM 0 HA ASN A 107 14.629 5.139 16.078 1.00 0.00 H new ATOM 0 HB2 ASN A 107 15.835 6.768 17.871 1.00 0.00 H new ATOM 0 HB3 ASN A 107 16.606 5.322 17.251 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.490 8.778 16.605 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.334 8.453 17.900 1.00 0.00 H new ATOM 1676 N GLY A 108 12.797 6.746 16.505 1.00 0.00 N ATOM 1677 CA GLY A 108 11.700 7.673 16.757 1.00 0.00 C ATOM 1678 C GLY A 108 11.592 8.696 15.632 1.00 0.00 C ATOM 1679 O GLY A 108 12.363 9.655 15.577 1.00 0.00 O ATOM 0 H GLY A 108 12.549 5.760 16.585 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.764 7.122 16.845 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.860 8.184 17.706 1.00 0.00 H new ATOM 1683 N PHE A 109 10.636 8.487 14.734 1.00 0.00 N ATOM 1684 CA PHE A 109 10.451 9.395 13.608 1.00 0.00 C ATOM 1685 C PHE A 109 8.971 9.547 13.273 1.00 0.00 C ATOM 1686 O PHE A 109 8.155 8.692 13.617 1.00 0.00 O ATOM 1687 CB PHE A 109 11.199 8.863 12.386 1.00 0.00 C ATOM 1688 CG PHE A 109 10.733 7.458 12.086 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.280 6.374 12.784 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.749 7.240 11.115 1.00 0.00 C ATOM 1691 CE1 PHE A 109 10.844 5.073 12.510 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.313 5.937 10.840 1.00 0.00 C ATOM 1693 CZ PHE A 109 9.861 4.855 11.537 1.00 0.00 C ATOM 0 H PHE A 109 9.982 7.704 14.762 1.00 0.00 H new ATOM 0 HA PHE A 109 10.848 10.372 13.885 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.020 9.509 11.526 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.273 8.870 12.572 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.039 6.542 13.534 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.326 8.076 10.578 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.266 4.237 13.049 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.554 5.768 10.090 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.526 3.851 11.324 1.00 0.00 H new ATOM 1703 N LYS A 110 8.635 10.640 12.594 1.00 0.00 N ATOM 1704 CA LYS A 110 7.253 10.889 12.199 1.00 0.00 C ATOM 1705 C LYS A 110 7.084 10.669 10.699 1.00 0.00 C ATOM 1706 O LYS A 110 7.831 11.223 9.892 1.00 0.00 O ATOM 1707 CB LYS A 110 6.857 12.323 12.556 1.00 0.00 C ATOM 1708 CG LYS A 110 5.373 12.535 12.250 1.00 0.00 C ATOM 1709 CD LYS A 110 4.973 13.965 12.619 1.00 0.00 C ATOM 1710 CE LYS A 110 5.100 14.865 11.388 1.00 0.00 C ATOM 1711 NZ LYS A 110 6.309 14.473 10.610 1.00 0.00 N ATOM 0 H LYS A 110 9.296 11.362 12.308 1.00 0.00 H new ATOM 0 HA LYS A 110 6.607 10.193 12.735 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.052 12.513 13.611 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.461 13.030 11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.180 12.354 11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.770 11.821 12.811 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.949 13.983 12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.610 14.337 13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.209 14.776 10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.173 15.909 11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.464 15.156 9.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.138 14.465 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.170 13.524 10.207 1.00 0.00 H new ATOM 1725 N SER A 111 6.102 9.852 10.333 1.00 0.00 N ATOM 1726 CA SER A 111 5.860 9.544 8.928 1.00 0.00 C ATOM 1727 C SER A 111 4.527 10.125 8.465 1.00 0.00 C ATOM 1728 O SER A 111 3.517 10.022 9.160 1.00 0.00 O ATOM 1729 CB SER A 111 5.857 8.030 8.722 1.00 0.00 C ATOM 1730 OG SER A 111 7.045 7.479 9.274 1.00 0.00 O ATOM 0 H SER A 111 5.465 9.394 10.984 1.00 0.00 H new ATOM 0 HA SER A 111 6.658 9.993 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.982 7.588 9.199 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.793 7.796 7.659 1.00 0.00 H new ATOM 0 HG SER A 111 6.812 6.825 9.965 1.00 0.00 H new ATOM 1736 N LYS A 112 4.537 10.731 7.282 1.00 0.00 N ATOM 1737 CA LYS A 112 3.322 11.306 6.714 1.00 0.00 C ATOM 1738 C LYS A 112 3.284 11.077 5.206 1.00 0.00 C ATOM 1739 O LYS A 112 4.215 11.447 4.491 1.00 0.00 O ATOM 1740 CB LYS A 112 3.263 12.807 7.007 1.00 0.00 C ATOM 1741 CG LYS A 112 1.915 13.364 6.548 1.00 0.00 C ATOM 1742 CD LYS A 112 1.862 14.868 6.824 1.00 0.00 C ATOM 1743 CE LYS A 112 0.459 15.394 6.516 1.00 0.00 C ATOM 1744 NZ LYS A 112 -0.530 14.724 7.406 1.00 0.00 N ATOM 0 H LYS A 112 5.368 10.837 6.700 1.00 0.00 H new ATOM 0 HA LYS A 112 2.461 10.817 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.398 12.986 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.075 13.321 6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.775 13.174 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.104 12.859 7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.116 15.067 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.599 15.387 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.424 16.473 6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.210 15.206 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -1.351 15.348 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.842 13.833 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.089 14.523 8.326 1.00 0.00 H new ATOM 1758 N MET A 113 2.207 10.460 4.730 1.00 0.00 N ATOM 1759 CA MET A 113 2.074 10.174 3.306 1.00 0.00 C ATOM 1760 C MET A 113 0.674 10.522 2.807 1.00 0.00 C ATOM 1761 O MET A 113 -0.249 10.716 3.598 1.00 0.00 O ATOM 1762 CB MET A 113 2.353 8.694 3.043 1.00 0.00 C ATOM 1763 CG MET A 113 3.746 8.337 3.564 1.00 0.00 C ATOM 1764 SD MET A 113 3.633 7.854 5.305 1.00 0.00 S ATOM 1765 CE MET A 113 3.233 6.111 5.031 1.00 0.00 C ATOM 0 H MET A 113 1.421 10.151 5.303 1.00 0.00 H new ATOM 0 HA MET A 113 2.798 10.786 2.769 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.600 8.078 3.535 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.288 8.485 1.975 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.168 7.522 2.976 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.416 9.189 3.455 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.943 5.651 5.976 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.409 6.034 4.322 1.00 0.00 H new ATOM 0 HE3 MET A 113 4.106 5.596 4.630 1.00 0.00 H new ATOM 1775 N ASP A 114 0.530 10.596 1.488 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.758 10.915 0.882 1.00 0.00 C ATOM 1777 C ASP A 114 -0.824 10.369 -0.542 1.00 0.00 C ATOM 1778 O ASP A 114 0.185 9.931 -1.094 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.964 12.431 0.861 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.450 12.754 0.732 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.000 12.502 -0.327 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -3.015 13.248 1.694 1.00 0.00 O ATOM 0 H ASP A 114 1.285 10.440 0.821 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.546 10.452 1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.565 12.873 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.414 12.869 0.028 1.00 0.00 H new ATOM 1787 N ALA A 115 -2.016 10.395 -1.129 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.194 9.899 -2.490 1.00 0.00 C ATOM 1789 C ALA A 115 -2.755 10.991 -3.394 1.00 0.00 C ATOM 1790 O ALA A 115 -3.968 11.177 -3.480 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.143 8.698 -2.489 1.00 0.00 C ATOM 0 H ALA A 115 -2.865 10.750 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.220 9.594 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.270 8.334 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.725 7.904 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.111 8.999 -2.088 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.863 11.708 -4.068 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.278 12.786 -4.958 1.00 0.00 C ATOM 1799 C LEU A 116 -2.483 12.259 -6.376 1.00 0.00 C ATOM 1800 O LEU A 116 -1.854 11.282 -6.784 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.219 13.890 -4.968 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.636 14.048 -3.563 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.326 15.238 -3.537 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.770 14.289 -2.564 1.00 0.00 C ATOM 0 H LEU A 116 -0.855 11.564 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.222 13.192 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.428 13.644 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.661 14.830 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.097 13.140 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.740 15.349 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.135 15.068 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.211 16.146 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.355 14.402 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.309 15.196 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.455 13.441 -2.580 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.349 12.886 -7.122 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.646 12.485 -8.529 1.00 0.00 C ATOM 1818 C PRO A 117 -2.531 12.890 -9.489 1.00 0.00 C ATOM 1819 O PRO A 117 -2.038 14.017 -9.444 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.945 13.226 -8.858 1.00 0.00 C ATOM 1821 CG PRO A 117 -4.943 14.443 -7.992 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.180 14.074 -6.721 1.00 0.00 C ATOM 0 HA PRO A 117 -3.732 11.403 -8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.986 13.496 -9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.815 12.602 -8.655 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.465 15.280 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.961 14.752 -7.756 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.556 14.899 -6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.860 13.828 -5.906 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.139 11.963 -10.359 1.00 0.00 N ATOM 1831 CA LEU A 118 -1.075 12.233 -11.318 1.00 0.00 C ATOM 1832 C LEU A 118 -1.392 13.487 -12.126 1.00 0.00 C ATOM 1833 O LEU A 118 -2.419 13.558 -12.802 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.907 11.044 -12.266 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.728 9.762 -11.452 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.064 8.553 -12.326 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.723 9.656 -10.977 1.00 0.00 C ATOM 0 H LEU A 118 -2.539 11.027 -10.419 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.147 12.390 -10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.779 10.957 -12.914 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.043 11.200 -12.912 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.393 9.785 -10.589 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.937 7.639 -11.747 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.097 8.626 -12.666 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.398 8.531 -13.189 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.850 8.742 -10.397 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.388 9.633 -11.841 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.966 10.517 -10.355 1.00 0.00 H new ATOM 1849 N SER A 119 -0.505 14.473 -12.051 1.00 0.00 N ATOM 1850 CA SER A 119 -0.702 15.721 -12.780 1.00 0.00 C ATOM 1851 C SER A 119 0.032 15.682 -14.115 1.00 0.00 C ATOM 1852 O SER A 119 0.422 14.614 -14.590 1.00 0.00 O ATOM 1853 CB SER A 119 -0.190 16.896 -11.948 1.00 0.00 C ATOM 1854 OG SER A 119 -0.895 16.941 -10.714 1.00 0.00 O ATOM 0 H SER A 119 0.351 14.434 -11.498 1.00 0.00 H new ATOM 0 HA SER A 119 -1.768 15.847 -12.968 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.879 16.788 -11.765 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.328 17.830 -12.493 1.00 0.00 H new ATOM 0 HG SER A 119 -0.567 17.693 -10.177 1.00 0.00 H new ATOM 1860 N GLU A 120 0.221 16.852 -14.717 1.00 0.00 N ATOM 1861 CA GLU A 120 0.907 16.938 -15.999 1.00 0.00 C ATOM 1862 C GLU A 120 2.348 16.455 -15.867 1.00 0.00 C ATOM 1863 O GLU A 120 2.906 15.875 -16.798 1.00 0.00 O ATOM 1864 CB GLU A 120 0.896 18.383 -16.503 1.00 0.00 C ATOM 1865 CG GLU A 120 1.716 19.261 -15.557 1.00 0.00 C ATOM 1866 CD GLU A 120 1.541 20.730 -15.927 1.00 0.00 C ATOM 1867 OE1 GLU A 120 0.896 20.995 -16.928 1.00 0.00 O ATOM 1868 OE2 GLU A 120 2.051 21.569 -15.203 1.00 0.00 O ATOM 0 H GLU A 120 -0.089 17.747 -14.340 1.00 0.00 H new ATOM 0 HA GLU A 120 0.385 16.301 -16.713 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.310 18.431 -17.510 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.128 18.751 -16.561 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.398 19.096 -14.527 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.769 18.986 -15.613 1.00 0.00 H new ATOM 1875 N GLU A 121 2.941 16.696 -14.702 1.00 0.00 N ATOM 1876 CA GLU A 121 4.320 16.286 -14.460 1.00 0.00 C ATOM 1877 C GLU A 121 4.483 14.790 -14.705 1.00 0.00 C ATOM 1878 O GLU A 121 5.491 14.347 -15.256 1.00 0.00 O ATOM 1879 CB GLU A 121 4.719 16.617 -13.021 1.00 0.00 C ATOM 1880 CG GLU A 121 4.701 18.133 -12.821 1.00 0.00 C ATOM 1881 CD GLU A 121 5.149 18.478 -11.405 1.00 0.00 C ATOM 1882 OE1 GLU A 121 5.258 17.567 -10.601 1.00 0.00 O ATOM 1883 OE2 GLU A 121 5.376 19.648 -11.145 1.00 0.00 O ATOM 0 H GLU A 121 2.493 17.169 -13.917 1.00 0.00 H new ATOM 0 HA GLU A 121 4.968 16.828 -15.149 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.031 16.140 -12.323 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.713 16.224 -12.809 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.359 18.611 -13.546 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.697 18.519 -12.998 1.00 0.00 H new ATOM 1890 N TYR A 122 3.484 14.015 -14.294 1.00 0.00 N ATOM 1891 CA TYR A 122 3.529 12.569 -14.477 1.00 0.00 C ATOM 1892 C TYR A 122 3.530 12.220 -15.961 1.00 0.00 C ATOM 1893 O TYR A 122 4.245 11.318 -16.396 1.00 0.00 O ATOM 1894 CB TYR A 122 2.323 11.917 -13.797 1.00 0.00 C ATOM 1895 CG TYR A 122 2.205 10.483 -14.251 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.147 9.536 -13.830 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.157 10.099 -15.096 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.039 8.206 -14.254 1.00 0.00 C ATOM 1899 CE2 TYR A 122 1.048 8.769 -15.518 1.00 0.00 C ATOM 1900 CZ TYR A 122 1.990 7.822 -15.097 1.00 0.00 C ATOM 1901 OH TYR A 122 1.883 6.511 -15.513 1.00 0.00 O ATOM 0 H TYR A 122 2.641 14.360 -13.836 1.00 0.00 H new ATOM 0 HA TYR A 122 4.446 12.192 -14.025 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.436 11.959 -12.714 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.413 12.464 -14.044 1.00 0.00 H new ATOM 0 HD1 TYR A 122 3.956 9.831 -13.179 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.432 10.830 -15.423 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.766 7.476 -13.930 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.238 8.473 -16.168 1.00 0.00 H new ATOM 0 HH TYR A 122 1.099 6.415 -16.092 1.00 0.00 H new