USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1153 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 128 LYS NZ :NH3+ -128:sc= 1.66 (180deg=0.4) USER MOD Set 1.2: A 130 SER OG : rot 50:sc= 0.535 USER MOD Set 2.1: A 86 THR OG1 : rot -137:sc= 0.145 USER MOD Set 2.2: A 88 HIS : no HD1:sc= -2.11! C(o=-2!,f=-4!) USER MOD Set 3.1: A 68 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-3.1!) USER MOD Set 3.2: A 70 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0406) USER MOD Set 4.1: A 43 LYS NZ :NH3+ 167:sc= 1.81 (180deg=0) USER MOD Set 4.2: A 58 MET CE :methyl -109:sc= -2.49! (180deg=-0.513) USER MOD Set 4.3: A 60 ASN : amide:sc= 0.75 K(o=-0.13,f=-19!) USER MOD Set 4.4: A 67 THR OG1 : rot -141:sc= -0.915! USER MOD Set 4.5: A 118 TYR OH : rot -177:sc= 1.91 USER MOD Set 4.6: A 127 MET CE :methyl 179:sc= -1.2 (180deg=-1.14) USER MOD Single : A 2 THR OG1 : rot 21:sc= 0.414 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0124 (180deg=-0.208) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.305 K(o=0.31,f=-3.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.11) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -173:sc= -1 (180deg=-1.25) USER MOD Single : A 34 GLN : amide:sc= -1.01 K(o=-1,f=-0.22) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= -0.137 (180deg=-1.82!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= -0.0191 (180deg=-0.206) USER MOD Single : A 56 TYR OH : rot 87:sc= 0.00156 USER MOD Single : A 62 THR OG1 : rot 155:sc= 0.769 USER MOD Single : A 63 THR OG1 : rot 150:sc= -0.891 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 3.03 (180deg=2.2) USER MOD Single : A 69 HIS : no HD1:sc= -0.428 K(o=1,f=-9.5!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.3) USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= -0.102 (180deg=-0.16) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 95 LYS NZ :NH3+ -151:sc= 1.16 (180deg=-0.447) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 101 THR OG1 : rot -18:sc= 0.618 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= -2.22 C(o=-1!,f=-14!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 111 THR OG1 : rot -9:sc= 1.21 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0519 USER MOD Single : A 116 TYR OH : rot 24:sc= 0.893 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 166:sc= -0.267 (180deg=-0.907) USER MOD Single : A 132 LYS NZ :NH3+ -176:sc= 0.828 (180deg=0.816) USER MOD Single : A 135 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 136 THR OG1 : rot 67:sc= 1.26 USER MOD Single : A 137 SER OG : rot 170:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot -140:sc= -1.06 USER MOD Single : A 141 LYS NZ :NH3+ -179:sc= 1.08 (180deg=1.08) USER MOD Single : A 142 LYS NZ :NH3+ 139:sc= 0.629 (180deg=0.5) USER MOD Single : A 143 GLN : amide:sc= -4.85! C(o=-4.8!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 2.567 -17.183 0.193 1.00 0.86 N ATOM 211 CA THR A 2 2.164 -16.804 1.532 1.00 0.81 C ATOM 212 C THR A 2 2.922 -15.568 1.987 1.00 0.66 C ATOM 213 O THR A 2 4.153 -15.523 1.932 1.00 0.64 O ATOM 214 CB THR A 2 2.397 -17.933 2.536 1.00 0.86 C ATOM 215 OG1 THR A 2 2.105 -19.197 1.922 1.00 0.99 O ATOM 216 CG2 THR A 2 1.516 -17.752 3.762 1.00 0.92 C ATOM 0 HA THR A 2 1.096 -16.589 1.495 1.00 0.81 H new ATOM 0 HB THR A 2 3.441 -17.907 2.847 1.00 0.86 H new ATOM 0 HG1 THR A 2 2.156 -19.107 0.947 1.00 0.99 H new ATOM 0 HG21 THR A 2 1.697 -18.566 4.464 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.750 -16.801 4.241 1.00 0.92 H new ATOM 0 HG23 THR A 2 0.468 -17.759 3.461 1.00 0.92 H new ATOM 224 N LEU A 3 2.172 -14.564 2.410 1.00 0.59 N ATOM 225 CA LEU A 3 2.757 -13.321 2.885 1.00 0.50 C ATOM 226 C LEU A 3 3.622 -13.546 4.108 1.00 0.49 C ATOM 227 O LEU A 3 3.166 -14.106 5.108 1.00 0.53 O ATOM 228 CB LEU A 3 1.684 -12.284 3.221 1.00 0.49 C ATOM 229 CG LEU A 3 1.320 -11.315 2.095 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.614 -10.099 2.664 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.559 -10.887 1.329 1.00 0.49 C ATOM 0 H LEU A 3 1.153 -14.586 2.434 1.00 0.59 H new ATOM 0 HA LEU A 3 3.376 -12.943 2.072 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.780 -12.810 3.528 1.00 0.49 H new ATOM 0 HB3 LEU A 3 2.022 -11.704 4.079 1.00 0.49 H new ATOM 0 HG LEU A 3 0.650 -11.827 1.404 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.359 -9.415 1.855 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.296 -10.413 3.175 1.00 0.51 H new ATOM 0 HD13 LEU A 3 1.272 -9.595 3.372 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.275 -10.198 0.533 1.00 0.49 H new ATOM 0 HD22 LEU A 3 3.253 -10.391 2.008 1.00 0.49 H new ATOM 0 HD23 LEU A 3 3.040 -11.764 0.895 1.00 0.49 H new ATOM 243 N PRO A 4 4.891 -13.131 4.027 1.00 0.50 N ATOM 244 CA PRO A 4 5.787 -13.106 5.177 1.00 0.54 C ATOM 245 C PRO A 4 5.231 -12.204 6.268 1.00 0.47 C ATOM 246 O PRO A 4 4.754 -11.101 5.988 1.00 0.42 O ATOM 247 CB PRO A 4 7.092 -12.526 4.619 1.00 0.60 C ATOM 248 CG PRO A 4 7.009 -12.718 3.144 1.00 0.61 C ATOM 249 CD PRO A 4 5.550 -12.660 2.799 1.00 0.52 C ATOM 0 HA PRO A 4 5.920 -14.090 5.626 1.00 0.54 H new ATOM 0 HB2 PRO A 4 7.194 -11.471 4.873 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.960 -13.039 5.034 1.00 0.60 H new ATOM 0 HG2 PRO A 4 7.565 -11.942 2.618 1.00 0.61 H new ATOM 0 HG3 PRO A 4 7.441 -13.675 2.850 1.00 0.61 H new ATOM 0 HD2 PRO A 4 5.239 -11.648 2.538 1.00 0.52 H new ATOM 0 HD3 PRO A 4 5.313 -13.296 1.946 1.00 0.52 H new ATOM 257 N ASP A 5 5.286 -12.686 7.507 1.00 0.51 N ATOM 258 CA ASP A 5 4.763 -11.957 8.664 1.00 0.51 C ATOM 259 C ASP A 5 5.362 -10.563 8.772 1.00 0.45 C ATOM 260 O ASP A 5 4.787 -9.683 9.411 1.00 0.44 O ATOM 261 CB ASP A 5 5.030 -12.734 9.954 1.00 0.63 C ATOM 262 CG ASP A 5 4.239 -14.023 10.035 1.00 1.50 C ATOM 263 OD1 ASP A 5 3.150 -14.022 10.652 1.00 2.09 O ATOM 264 OD2 ASP A 5 4.698 -15.043 9.476 1.00 2.19 O ATOM 0 H ASP A 5 5.694 -13.592 7.739 1.00 0.51 H new ATOM 0 HA ASP A 5 3.688 -11.853 8.520 1.00 0.51 H new ATOM 0 HB2 ASP A 5 6.094 -12.961 10.023 1.00 0.63 H new ATOM 0 HB3 ASP A 5 4.782 -12.106 10.810 1.00 0.63 H new ATOM 269 N LYS A 6 6.520 -10.369 8.155 1.00 0.45 N ATOM 270 CA LYS A 6 7.166 -9.065 8.110 1.00 0.45 C ATOM 271 C LYS A 6 6.293 -8.008 7.434 1.00 0.38 C ATOM 272 O LYS A 6 6.420 -6.822 7.731 1.00 0.42 O ATOM 273 CB LYS A 6 8.508 -9.159 7.389 1.00 0.56 C ATOM 274 CG LYS A 6 9.597 -9.824 8.211 1.00 1.10 C ATOM 275 CD LYS A 6 10.912 -9.868 7.456 1.00 1.64 C ATOM 276 CE LYS A 6 12.027 -10.461 8.304 1.00 2.01 C ATOM 277 NZ LYS A 6 12.332 -9.627 9.497 1.00 2.53 N ATOM 0 H LYS A 6 7.035 -11.107 7.674 1.00 0.45 H new ATOM 0 HA LYS A 6 7.324 -8.754 9.143 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.374 -9.716 6.462 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.834 -8.156 7.114 1.00 0.56 H new ATOM 0 HG2 LYS A 6 9.731 -9.281 9.147 1.00 1.10 H new ATOM 0 HG3 LYS A 6 9.291 -10.837 8.471 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.791 -10.459 6.548 1.00 1.64 H new ATOM 0 HD3 LYS A 6 11.187 -8.860 7.145 1.00 1.64 H new ATOM 0 HE2 LYS A 6 11.742 -11.462 8.627 1.00 2.01 H new ATOM 0 HE3 LYS A 6 12.926 -10.566 7.697 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 13.237 -9.930 9.910 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 12.397 -8.628 9.215 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 11.575 -9.739 10.201 1.00 2.53 H new ATOM 291 N PHE A 7 5.406 -8.418 6.534 1.00 0.36 N ATOM 292 CA PHE A 7 4.555 -7.462 5.841 1.00 0.35 C ATOM 293 C PHE A 7 3.176 -7.423 6.482 1.00 0.32 C ATOM 294 O PHE A 7 2.311 -6.664 6.059 1.00 0.35 O ATOM 295 CB PHE A 7 4.417 -7.824 4.355 1.00 0.39 C ATOM 296 CG PHE A 7 5.725 -7.926 3.618 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.724 -6.989 3.816 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.952 -8.961 2.721 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.923 -7.081 3.138 1.00 0.60 C ATOM 300 CE2 PHE A 7 7.148 -9.056 2.041 1.00 0.54 C ATOM 301 CZ PHE A 7 8.134 -8.116 2.252 1.00 0.57 C ATOM 0 H PHE A 7 5.259 -9.392 6.271 1.00 0.36 H new ATOM 0 HA PHE A 7 5.021 -6.480 5.920 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.892 -8.775 4.272 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.796 -7.073 3.866 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.564 -6.176 4.509 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.183 -9.701 2.554 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.695 -6.343 3.301 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.312 -9.865 1.345 1.00 0.54 H new ATOM 0 HZ PHE A 7 9.073 -8.190 1.723 1.00 0.57 H new ATOM 311 N LEU A 8 2.982 -8.235 7.511 1.00 0.30 N ATOM 312 CA LEU A 8 1.678 -8.384 8.130 1.00 0.29 C ATOM 313 C LEU A 8 1.592 -7.611 9.441 1.00 0.29 C ATOM 314 O LEU A 8 2.572 -7.499 10.182 1.00 0.33 O ATOM 315 CB LEU A 8 1.383 -9.869 8.340 1.00 0.34 C ATOM 316 CG LEU A 8 1.349 -10.680 7.044 1.00 0.37 C ATOM 317 CD1 LEU A 8 1.185 -12.163 7.320 1.00 0.46 C ATOM 318 CD2 LEU A 8 0.231 -10.183 6.147 1.00 0.35 C ATOM 0 H LEU A 8 3.716 -8.802 7.935 1.00 0.30 H new ATOM 0 HA LEU A 8 0.923 -7.963 7.466 1.00 0.29 H new ATOM 0 HB2 LEU A 8 2.140 -10.290 9.002 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.424 -9.971 8.847 1.00 0.34 H new ATOM 0 HG LEU A 8 2.303 -10.541 6.536 1.00 0.37 H new ATOM 0 HD11 LEU A 8 1.165 -12.709 6.377 1.00 0.46 H new ATOM 0 HD12 LEU A 8 2.021 -12.515 7.925 1.00 0.46 H new ATOM 0 HD13 LEU A 8 0.252 -12.332 7.857 1.00 0.46 H new ATOM 0 HD21 LEU A 8 0.216 -10.767 5.227 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.724 -10.291 6.662 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.397 -9.133 5.907 1.00 0.35 H new ATOM 330 N GLY A 9 0.411 -7.082 9.712 1.00 0.32 N ATOM 331 CA GLY A 9 0.199 -6.257 10.880 1.00 0.33 C ATOM 332 C GLY A 9 -0.428 -4.928 10.516 1.00 0.31 C ATOM 333 O GLY A 9 -0.811 -4.710 9.364 1.00 0.52 O ATOM 0 H GLY A 9 -0.418 -7.213 9.132 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.444 -6.783 11.586 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.151 -6.086 11.383 1.00 0.33 H new ATOM 337 N THR A 10 -0.554 -4.044 11.491 1.00 0.34 N ATOM 338 CA THR A 10 -1.080 -2.717 11.257 1.00 0.35 C ATOM 339 C THR A 10 0.027 -1.680 11.424 1.00 0.32 C ATOM 340 O THR A 10 0.670 -1.611 12.469 1.00 0.40 O ATOM 341 CB THR A 10 -2.235 -2.408 12.224 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.225 -3.441 12.138 1.00 1.05 O ATOM 343 CG2 THR A 10 -2.864 -1.066 11.898 1.00 0.99 C ATOM 0 H THR A 10 -0.295 -4.228 12.460 1.00 0.34 H new ATOM 0 HA THR A 10 -1.463 -2.675 10.237 1.00 0.35 H new ATOM 0 HB THR A 10 -1.838 -2.366 13.238 1.00 0.38 H new ATOM 0 HG1 THR A 10 -3.959 -3.243 12.756 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.679 -0.867 12.594 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.113 -0.281 11.985 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.253 -1.084 10.880 1.00 0.99 H new ATOM 351 N PHE A 11 0.252 -0.888 10.385 1.00 0.27 N ATOM 352 CA PHE A 11 1.353 0.069 10.369 1.00 0.27 C ATOM 353 C PHE A 11 0.836 1.504 10.247 1.00 0.28 C ATOM 354 O PHE A 11 -0.070 1.766 9.453 1.00 0.32 O ATOM 355 CB PHE A 11 2.286 -0.239 9.189 1.00 0.31 C ATOM 356 CG PHE A 11 2.750 -1.672 9.128 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.797 -2.111 9.922 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.141 -2.577 8.270 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.226 -3.424 9.867 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.567 -3.892 8.210 1.00 0.43 C ATOM 361 CZ PHE A 11 3.610 -4.315 9.010 1.00 0.44 C ATOM 0 H PHE A 11 -0.316 -0.889 9.538 1.00 0.27 H new ATOM 0 HA PHE A 11 1.897 -0.022 11.309 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.771 0.005 8.260 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.158 0.412 9.250 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.284 -1.419 10.592 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.325 -2.251 7.642 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.042 -3.753 10.493 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.084 -4.587 7.538 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.944 -5.341 8.966 1.00 0.44 H new ATOM 371 N LYS A 12 1.389 2.438 11.032 1.00 0.29 N ATOM 372 CA LYS A 12 1.032 3.848 10.858 1.00 0.33 C ATOM 373 C LYS A 12 2.109 4.614 10.077 1.00 0.27 C ATOM 374 O LYS A 12 3.309 4.488 10.345 1.00 0.69 O ATOM 375 CB LYS A 12 0.762 4.522 12.207 1.00 0.48 C ATOM 376 CG LYS A 12 1.934 4.519 13.167 1.00 0.78 C ATOM 377 CD LYS A 12 1.540 5.091 14.523 1.00 1.28 C ATOM 378 CE LYS A 12 1.046 6.527 14.411 1.00 1.72 C ATOM 379 NZ LYS A 12 0.732 7.117 15.739 1.00 2.19 N ATOM 0 H LYS A 12 2.065 2.250 11.772 1.00 0.29 H new ATOM 0 HA LYS A 12 0.113 3.876 10.272 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.461 5.554 12.027 1.00 0.48 H new ATOM 0 HB3 LYS A 12 -0.081 4.022 12.684 1.00 0.48 H new ATOM 0 HG2 LYS A 12 2.302 3.501 13.292 1.00 0.78 H new ATOM 0 HG3 LYS A 12 2.752 5.104 12.747 1.00 0.78 H new ATOM 0 HD2 LYS A 12 0.760 4.472 14.965 1.00 1.28 H new ATOM 0 HD3 LYS A 12 2.397 5.053 15.196 1.00 1.28 H new ATOM 0 HE2 LYS A 12 1.805 7.133 13.916 1.00 1.72 H new ATOM 0 HE3 LYS A 12 0.156 6.555 13.783 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 0.400 8.095 15.615 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 -0.011 6.555 16.202 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 1.587 7.115 16.331 1.00 2.19 H new ATOM 393 N LEU A 13 1.652 5.380 9.084 1.00 0.60 N ATOM 394 CA LEU A 13 2.516 6.240 8.274 1.00 0.50 C ATOM 395 C LEU A 13 3.257 7.244 9.151 1.00 0.46 C ATOM 396 O LEU A 13 2.648 7.932 9.972 1.00 0.52 O ATOM 397 CB LEU A 13 1.656 6.965 7.216 1.00 0.52 C ATOM 398 CG LEU A 13 2.385 7.852 6.189 1.00 0.55 C ATOM 399 CD1 LEU A 13 2.628 9.243 6.741 1.00 1.14 C ATOM 400 CD2 LEU A 13 3.699 7.225 5.750 1.00 1.04 C ATOM 0 H LEU A 13 0.668 5.421 8.818 1.00 0.60 H new ATOM 0 HA LEU A 13 3.265 5.628 7.772 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.092 6.211 6.668 1.00 0.52 H new ATOM 0 HB3 LEU A 13 0.931 7.586 7.741 1.00 0.52 H new ATOM 0 HG LEU A 13 1.737 7.935 5.316 1.00 0.55 H new ATOM 0 HD11 LEU A 13 3.144 9.846 5.994 1.00 1.14 H new ATOM 0 HD12 LEU A 13 1.674 9.709 6.987 1.00 1.14 H new ATOM 0 HD13 LEU A 13 3.241 9.176 7.640 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.188 7.876 5.025 1.00 1.04 H new ATOM 0 HD22 LEU A 13 4.347 7.094 6.616 1.00 1.04 H new ATOM 0 HD23 LEU A 13 3.504 6.255 5.293 1.00 1.04 H new ATOM 412 N GLU A 14 4.569 7.322 8.977 1.00 0.45 N ATOM 413 CA GLU A 14 5.385 8.233 9.759 1.00 0.48 C ATOM 414 C GLU A 14 5.847 9.428 8.926 1.00 0.45 C ATOM 415 O GLU A 14 5.742 10.572 9.366 1.00 0.49 O ATOM 416 CB GLU A 14 6.583 7.487 10.340 1.00 0.55 C ATOM 417 CG GLU A 14 7.454 8.342 11.239 1.00 0.67 C ATOM 418 CD GLU A 14 8.432 7.522 12.043 1.00 1.17 C ATOM 419 OE1 GLU A 14 9.614 7.434 11.648 1.00 2.08 O ATOM 420 OE2 GLU A 14 8.022 6.967 13.086 1.00 1.56 O ATOM 0 H GLU A 14 5.089 6.764 8.300 1.00 0.45 H new ATOM 0 HA GLU A 14 4.775 8.621 10.575 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.225 6.627 10.906 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.190 7.099 9.522 1.00 0.55 H new ATOM 0 HG2 GLU A 14 8.002 9.062 10.631 1.00 0.67 H new ATOM 0 HG3 GLU A 14 6.820 8.914 11.917 1.00 0.67 H new ATOM 427 N ARG A 15 6.348 9.165 7.723 1.00 0.42 N ATOM 428 CA ARG A 15 6.845 10.228 6.857 1.00 0.44 C ATOM 429 C ARG A 15 6.956 9.747 5.414 1.00 0.37 C ATOM 430 O ARG A 15 6.580 8.617 5.092 1.00 0.38 O ATOM 431 CB ARG A 15 8.217 10.694 7.328 1.00 0.51 C ATOM 432 CG ARG A 15 9.264 9.607 7.230 1.00 0.53 C ATOM 433 CD ARG A 15 10.660 10.163 7.393 1.00 0.77 C ATOM 434 NE ARG A 15 11.018 11.056 6.294 1.00 1.68 N ATOM 435 CZ ARG A 15 12.096 10.906 5.529 1.00 2.34 C ATOM 436 NH1 ARG A 15 12.959 9.921 5.764 1.00 2.45 N ATOM 437 NH2 ARG A 15 12.310 11.749 4.528 1.00 3.36 N ATOM 0 H ARG A 15 6.420 8.228 7.327 1.00 0.42 H new ATOM 0 HA ARG A 15 6.137 11.055 6.905 1.00 0.44 H new ATOM 0 HB2 ARG A 15 8.531 11.551 6.731 1.00 0.51 H new ATOM 0 HB3 ARG A 15 8.147 11.034 8.361 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.080 8.854 7.996 1.00 0.53 H new ATOM 0 HG3 ARG A 15 9.181 9.107 6.265 1.00 0.53 H new ATOM 0 HD2 ARG A 15 10.729 10.703 8.337 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.375 9.342 7.442 1.00 0.77 H new ATOM 0 HE ARG A 15 10.402 11.845 6.101 1.00 1.68 H new ATOM 0 HH11 ARG A 15 12.797 9.274 6.535 1.00 2.45 H new ATOM 0 HH12 ARG A 15 13.783 9.813 5.173 1.00 2.45 H new ATOM 0 HH21 ARG A 15 11.650 12.506 4.349 1.00 3.36 H new ATOM 0 HH22 ARG A 15 13.134 11.640 3.937 1.00 3.36 H new ATOM 451 N ASP A 16 7.508 10.600 4.562 1.00 0.38 N ATOM 452 CA ASP A 16 7.669 10.292 3.150 1.00 0.43 C ATOM 453 C ASP A 16 8.973 10.879 2.624 1.00 0.39 C ATOM 454 O ASP A 16 9.574 11.738 3.272 1.00 0.52 O ATOM 455 CB ASP A 16 6.492 10.845 2.345 1.00 0.66 C ATOM 456 CG ASP A 16 6.413 12.362 2.388 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.650 12.900 3.217 1.00 1.19 O ATOM 458 OD2 ASP A 16 7.118 13.026 1.600 1.00 0.72 O ATOM 0 H ASP A 16 7.855 11.521 4.830 1.00 0.38 H new ATOM 0 HA ASP A 16 7.697 9.208 3.038 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.581 10.519 1.309 1.00 0.66 H new ATOM 0 HB3 ASP A 16 5.563 10.426 2.732 1.00 0.66 H new ATOM 463 N GLU A 17 9.411 10.407 1.464 1.00 0.36 N ATOM 464 CA GLU A 17 10.643 10.884 0.857 1.00 0.38 C ATOM 465 C GLU A 17 10.523 10.896 -0.668 1.00 0.40 C ATOM 466 O GLU A 17 10.319 9.845 -1.277 1.00 0.83 O ATOM 467 CB GLU A 17 11.805 9.986 1.286 1.00 0.48 C ATOM 468 CG GLU A 17 13.164 10.476 0.828 1.00 1.18 C ATOM 469 CD GLU A 17 13.531 11.818 1.427 1.00 1.83 C ATOM 470 OE1 GLU A 17 13.196 12.856 0.820 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.156 11.841 2.508 1.00 2.13 O ATOM 0 H GLU A 17 8.927 9.690 0.923 1.00 0.36 H new ATOM 0 HA GLU A 17 10.830 11.904 1.193 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.807 9.906 2.373 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.640 8.983 0.892 1.00 0.48 H new ATOM 0 HG2 GLU A 17 13.922 9.741 1.100 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.171 10.553 -0.259 1.00 1.18 H new ATOM 478 N ASN A 18 10.646 12.089 -1.269 1.00 0.34 N ATOM 479 CA ASN A 18 10.566 12.276 -2.732 1.00 0.30 C ATOM 480 C ASN A 18 9.119 12.125 -3.212 1.00 0.28 C ATOM 481 O ASN A 18 8.847 11.878 -4.394 1.00 0.27 O ATOM 482 CB ASN A 18 11.481 11.282 -3.465 1.00 0.32 C ATOM 483 CG ASN A 18 11.917 11.771 -4.832 1.00 0.42 C ATOM 484 OD1 ASN A 18 12.119 12.965 -5.042 1.00 0.76 O ATOM 485 ND2 ASN A 18 12.069 10.854 -5.772 1.00 0.66 N ATOM 0 H ASN A 18 10.804 12.956 -0.756 1.00 0.34 H new ATOM 0 HA ASN A 18 10.907 13.285 -2.964 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.364 11.093 -2.855 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.960 10.331 -3.575 1.00 0.32 H new ATOM 0 HD21 ASN A 18 12.363 11.128 -6.709 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.892 9.872 -5.560 1.00 0.66 H new ATOM 492 N PHE A 19 8.195 12.319 -2.282 1.00 0.30 N ATOM 493 CA PHE A 19 6.790 12.038 -2.530 1.00 0.31 C ATOM 494 C PHE A 19 6.154 13.120 -3.393 1.00 0.31 C ATOM 495 O PHE A 19 5.385 12.819 -4.304 1.00 0.32 O ATOM 496 CB PHE A 19 6.039 11.888 -1.205 1.00 0.37 C ATOM 497 CG PHE A 19 4.682 11.254 -1.342 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.521 10.084 -2.065 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.573 11.823 -0.740 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.280 9.495 -2.188 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.329 11.237 -0.859 1.00 0.48 C ATOM 502 CZ PHE A 19 2.181 10.070 -1.585 1.00 0.44 C ATOM 0 H PHE A 19 8.395 12.671 -1.346 1.00 0.30 H new ATOM 0 HA PHE A 19 6.722 11.098 -3.078 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.642 11.289 -0.523 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.925 12.872 -0.750 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.378 9.627 -2.538 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.682 12.735 -0.171 1.00 0.45 H new ATOM 0 HE1 PHE A 19 3.169 8.584 -2.757 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.471 11.690 -0.385 1.00 0.48 H new ATOM 0 HZ PHE A 19 1.208 9.610 -1.680 1.00 0.44 H new ATOM 512 N ASP A 20 6.474 14.380 -3.111 1.00 0.33 N ATOM 513 CA ASP A 20 5.958 15.487 -3.909 1.00 0.37 C ATOM 514 C ASP A 20 6.406 15.356 -5.358 1.00 0.33 C ATOM 515 O ASP A 20 5.615 15.571 -6.275 1.00 0.33 O ATOM 516 CB ASP A 20 6.391 16.842 -3.332 1.00 0.46 C ATOM 517 CG ASP A 20 7.881 17.111 -3.452 1.00 1.08 C ATOM 518 OD1 ASP A 20 8.264 18.005 -4.235 1.00 1.22 O ATOM 519 OD2 ASP A 20 8.671 16.442 -2.754 1.00 2.04 O ATOM 0 H ASP A 20 7.083 14.658 -2.342 1.00 0.33 H new ATOM 0 HA ASP A 20 4.869 15.443 -3.875 1.00 0.37 H new ATOM 0 HB2 ASP A 20 5.846 17.635 -3.843 1.00 0.46 H new ATOM 0 HB3 ASP A 20 6.107 16.886 -2.281 1.00 0.46 H new ATOM 524 N GLU A 21 7.670 14.983 -5.557 1.00 0.34 N ATOM 525 CA GLU A 21 8.196 14.731 -6.894 1.00 0.35 C ATOM 526 C GLU A 21 7.333 13.715 -7.630 1.00 0.31 C ATOM 527 O GLU A 21 6.974 13.920 -8.791 1.00 0.34 O ATOM 528 CB GLU A 21 9.635 14.239 -6.819 1.00 0.41 C ATOM 529 CG GLU A 21 10.609 15.307 -6.370 1.00 0.51 C ATOM 530 CD GLU A 21 10.737 16.442 -7.363 1.00 1.14 C ATOM 531 OE1 GLU A 21 11.512 16.302 -8.332 1.00 1.65 O ATOM 532 OE2 GLU A 21 10.074 17.485 -7.182 1.00 1.79 O ATOM 0 H GLU A 21 8.348 14.849 -4.807 1.00 0.34 H new ATOM 0 HA GLU A 21 8.176 15.670 -7.448 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.688 13.396 -6.130 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.937 13.870 -7.799 1.00 0.41 H new ATOM 0 HG2 GLU A 21 10.285 15.706 -5.409 1.00 0.51 H new ATOM 0 HG3 GLU A 21 11.589 14.856 -6.213 1.00 0.51 H new ATOM 539 N TYR A 22 6.988 12.627 -6.944 1.00 0.29 N ATOM 540 CA TYR A 22 6.102 11.614 -7.513 1.00 0.28 C ATOM 541 C TYR A 22 4.758 12.226 -7.895 1.00 0.30 C ATOM 542 O TYR A 22 4.190 11.896 -8.935 1.00 0.33 O ATOM 543 CB TYR A 22 5.877 10.470 -6.520 1.00 0.30 C ATOM 544 CG TYR A 22 4.996 9.354 -7.054 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.608 9.443 -7.007 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.555 8.208 -7.602 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.808 8.428 -7.494 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.762 7.188 -8.089 1.00 0.44 C ATOM 549 CZ TYR A 22 3.391 7.301 -8.036 1.00 0.50 C ATOM 550 OH TYR A 22 2.600 6.284 -8.522 1.00 0.57 O ATOM 0 H TYR A 22 7.307 12.425 -5.997 1.00 0.29 H new ATOM 0 HA TYR A 22 6.582 11.219 -8.409 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.843 10.053 -6.237 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.426 10.873 -5.613 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.148 10.323 -6.582 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.630 8.112 -7.648 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.732 8.516 -7.451 1.00 0.48 H new ATOM 0 HE2 TYR A 22 5.216 6.303 -8.511 1.00 0.44 H new ATOM 0 HH TYR A 22 3.168 5.565 -8.869 1.00 0.57 H new ATOM 560 N LEU A 23 4.261 13.124 -7.055 1.00 0.28 N ATOM 561 CA LEU A 23 2.942 13.706 -7.259 1.00 0.30 C ATOM 562 C LEU A 23 2.932 14.589 -8.504 1.00 0.34 C ATOM 563 O LEU A 23 1.967 14.594 -9.267 1.00 0.37 O ATOM 564 CB LEU A 23 2.518 14.505 -6.026 1.00 0.30 C ATOM 565 CG LEU A 23 2.392 13.676 -4.746 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.963 14.542 -3.575 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.411 12.534 -4.952 1.00 0.32 C ATOM 0 H LEU A 23 4.750 13.465 -6.227 1.00 0.28 H new ATOM 0 HA LEU A 23 2.226 12.898 -7.410 1.00 0.30 H new ATOM 0 HB2 LEU A 23 3.243 15.302 -5.858 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.560 14.983 -6.230 1.00 0.30 H new ATOM 0 HG LEU A 23 3.372 13.258 -4.513 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.881 13.927 -2.679 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.703 15.325 -3.412 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.996 14.996 -3.793 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.331 11.953 -4.033 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.432 12.937 -5.212 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.765 11.892 -5.758 1.00 0.32 H new ATOM 579 N LYS A 24 4.023 15.316 -8.706 1.00 0.34 N ATOM 580 CA LYS A 24 4.184 16.160 -9.885 1.00 0.39 C ATOM 581 C LYS A 24 4.221 15.300 -11.142 1.00 0.40 C ATOM 582 O LYS A 24 3.500 15.555 -12.107 1.00 0.44 O ATOM 583 CB LYS A 24 5.477 16.969 -9.779 1.00 0.41 C ATOM 584 CG LYS A 24 5.576 17.806 -8.516 1.00 0.45 C ATOM 585 CD LYS A 24 6.962 18.406 -8.362 1.00 0.55 C ATOM 586 CE LYS A 24 7.110 19.131 -7.036 1.00 1.35 C ATOM 587 NZ LYS A 24 8.501 19.599 -6.815 1.00 1.88 N ATOM 0 H LYS A 24 4.815 15.339 -8.064 1.00 0.34 H new ATOM 0 HA LYS A 24 3.337 16.844 -9.943 1.00 0.39 H new ATOM 0 HB2 LYS A 24 6.326 16.286 -9.818 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.556 17.626 -10.646 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.833 18.603 -8.546 1.00 0.45 H new ATOM 0 HG3 LYS A 24 5.346 17.188 -7.648 1.00 0.45 H new ATOM 0 HD2 LYS A 24 7.711 17.617 -8.432 1.00 0.55 H new ATOM 0 HD3 LYS A 24 7.152 19.100 -9.181 1.00 0.55 H new ATOM 0 HE2 LYS A 24 6.431 19.984 -7.010 1.00 1.35 H new ATOM 0 HE3 LYS A 24 6.817 18.466 -6.224 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 8.705 19.613 -5.795 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 9.164 18.955 -7.291 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 8.611 20.558 -7.203 1.00 1.88 H new ATOM 601 N ALA A 25 5.068 14.279 -11.107 1.00 0.40 N ATOM 602 CA ALA A 25 5.197 13.336 -12.211 1.00 0.43 C ATOM 603 C ALA A 25 3.866 12.647 -12.501 1.00 0.43 C ATOM 604 O ALA A 25 3.521 12.388 -13.654 1.00 0.44 O ATOM 605 CB ALA A 25 6.270 12.303 -11.902 1.00 0.43 C ATOM 0 H ALA A 25 5.682 14.082 -10.317 1.00 0.40 H new ATOM 0 HA ALA A 25 5.491 13.894 -13.100 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.355 11.606 -12.736 1.00 0.43 H new ATOM 0 HB2 ALA A 25 7.226 12.805 -11.750 1.00 0.43 H new ATOM 0 HB3 ALA A 25 6.000 11.757 -10.998 1.00 0.43 H new ATOM 611 N ARG A 26 3.118 12.368 -11.442 1.00 0.43 N ATOM 612 CA ARG A 26 1.834 11.692 -11.558 1.00 0.45 C ATOM 613 C ARG A 26 0.785 12.606 -12.191 1.00 0.47 C ATOM 614 O ARG A 26 -0.247 12.143 -12.677 1.00 0.51 O ATOM 615 CB ARG A 26 1.360 11.228 -10.181 1.00 0.48 C ATOM 616 CG ARG A 26 0.121 10.353 -10.227 1.00 0.85 C ATOM 617 CD ARG A 26 0.419 8.980 -10.796 1.00 0.72 C ATOM 618 NE ARG A 26 -0.786 8.163 -10.895 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.290 7.451 -9.890 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.712 7.480 -8.696 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.381 6.724 -10.077 1.00 1.06 N ATOM 0 H ARG A 26 3.382 12.602 -10.485 1.00 0.43 H new ATOM 0 HA ARG A 26 1.965 10.825 -12.205 1.00 0.45 H new ATOM 0 HB2 ARG A 26 2.166 10.677 -9.695 1.00 0.48 H new ATOM 0 HB3 ARG A 26 1.154 12.102 -9.563 1.00 0.48 H new ATOM 0 HG2 ARG A 26 -0.287 10.249 -9.222 1.00 0.85 H new ATOM 0 HG3 ARG A 26 -0.644 10.839 -10.833 1.00 0.85 H new ATOM 0 HD2 ARG A 26 0.869 9.085 -11.783 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.150 8.475 -10.164 1.00 0.72 H new ATOM 0 HE ARG A 26 -1.273 8.136 -11.791 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.121 8.049 -8.546 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -1.101 6.933 -7.928 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.834 6.710 -10.991 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -2.768 6.178 -9.307 1.00 1.06 H new ATOM 635 N GLY A 27 1.058 13.902 -12.189 1.00 0.46 N ATOM 636 CA GLY A 27 0.138 14.853 -12.774 1.00 0.49 C ATOM 637 C GLY A 27 -0.791 15.473 -11.753 1.00 0.50 C ATOM 638 O GLY A 27 -1.913 15.858 -12.081 1.00 0.62 O ATOM 0 H GLY A 27 1.903 14.312 -11.791 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.704 15.642 -13.270 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.454 14.354 -13.542 1.00 0.49 H new ATOM 642 N TYR A 28 -0.337 15.563 -10.511 1.00 0.48 N ATOM 643 CA TYR A 28 -1.109 16.222 -9.471 1.00 0.53 C ATOM 644 C TYR A 28 -0.716 17.686 -9.367 1.00 0.56 C ATOM 645 O TYR A 28 0.469 18.019 -9.285 1.00 0.54 O ATOM 646 CB TYR A 28 -0.910 15.538 -8.118 1.00 0.51 C ATOM 647 CG TYR A 28 -1.637 14.221 -7.990 1.00 0.53 C ATOM 648 CD1 TYR A 28 -0.942 13.026 -7.877 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.024 14.178 -7.980 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.612 11.824 -7.763 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.700 12.982 -7.862 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.989 11.807 -7.755 1.00 0.60 C ATOM 653 OH TYR A 28 -3.657 10.611 -7.653 1.00 0.64 O ATOM 0 H TYR A 28 0.560 15.189 -10.201 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.162 16.150 -9.743 1.00 0.53 H new ATOM 0 HB2 TYR A 28 0.155 15.372 -7.958 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.250 16.208 -7.329 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.138 13.036 -7.878 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.584 15.098 -8.066 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.058 10.901 -7.680 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.780 12.967 -7.854 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.623 10.774 -7.661 1.00 0.64 H new ATOM 663 N GLY A 29 -1.717 18.551 -9.388 1.00 0.68 N ATOM 664 CA GLY A 29 -1.482 19.969 -9.235 1.00 0.80 C ATOM 665 C GLY A 29 -1.165 20.338 -7.801 1.00 0.88 C ATOM 666 O GLY A 29 -1.167 19.477 -6.921 1.00 1.54 O ATOM 0 H GLY A 29 -2.696 18.292 -9.509 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.656 20.271 -9.879 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.362 20.520 -9.566 1.00 0.80 H new ATOM 670 N TRP A 30 -0.908 21.619 -7.573 1.00 0.54 N ATOM 671 CA TRP A 30 -0.513 22.124 -6.262 1.00 0.56 C ATOM 672 C TRP A 30 -1.464 21.654 -5.159 1.00 0.54 C ATOM 673 O TRP A 30 -1.021 21.056 -4.184 1.00 0.52 O ATOM 674 CB TRP A 30 -0.446 23.655 -6.302 1.00 0.65 C ATOM 675 CG TRP A 30 -0.062 24.284 -4.997 1.00 0.75 C ATOM 676 CD1 TRP A 30 1.200 24.501 -4.525 1.00 0.84 C ATOM 677 CD2 TRP A 30 -0.956 24.787 -4.000 1.00 0.86 C ATOM 678 NE1 TRP A 30 1.143 25.105 -3.293 1.00 0.98 N ATOM 679 CE2 TRP A 30 -0.170 25.288 -2.947 1.00 0.99 C ATOM 680 CE3 TRP A 30 -2.344 24.857 -3.896 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -0.730 25.853 -1.807 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -2.898 25.417 -2.765 1.00 1.07 C ATOM 683 CH2 TRP A 30 -2.096 25.908 -1.734 1.00 1.18 C ATOM 0 H TRP A 30 -0.967 22.340 -8.292 1.00 0.54 H new ATOM 0 HA TRP A 30 0.472 21.723 -6.025 1.00 0.56 H new ATOM 0 HB2 TRP A 30 0.272 23.957 -7.064 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -1.418 24.043 -6.608 1.00 0.65 H new ATOM 0 HD1 TRP A 30 2.110 24.237 -5.044 1.00 0.84 H new ATOM 0 HE1 TRP A 30 1.948 25.374 -2.727 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -2.974 24.479 -4.687 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -0.111 26.234 -1.009 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -3.973 25.477 -2.675 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -2.562 26.340 -0.861 1.00 1.18 H new ATOM 694 N ILE A 31 -2.762 21.912 -5.319 1.00 0.60 N ATOM 695 CA ILE A 31 -3.756 21.526 -4.314 1.00 0.63 C ATOM 696 C ILE A 31 -3.657 20.047 -3.951 1.00 0.53 C ATOM 697 O ILE A 31 -3.519 19.698 -2.779 1.00 0.51 O ATOM 698 CB ILE A 31 -5.193 21.874 -4.780 1.00 0.76 C ATOM 699 CG1 ILE A 31 -5.576 23.263 -4.277 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.207 20.843 -4.298 1.00 0.69 C ATOM 701 CD1 ILE A 31 -5.680 23.332 -2.772 1.00 2.16 C ATOM 0 H ILE A 31 -3.151 22.386 -6.134 1.00 0.60 H new ATOM 0 HA ILE A 31 -3.536 22.103 -3.416 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.205 21.863 -5.870 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -4.835 23.985 -4.619 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -6.530 23.553 -4.716 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.202 21.122 -4.645 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -5.946 19.862 -4.696 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -6.199 20.807 -3.209 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -5.955 24.343 -2.472 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -6.441 22.632 -2.427 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -4.719 23.071 -2.329 1.00 2.16 H new ATOM 713 N MET A 32 -3.725 19.184 -4.953 1.00 0.48 N ATOM 714 CA MET A 32 -3.587 17.751 -4.734 1.00 0.43 C ATOM 715 C MET A 32 -2.271 17.434 -4.047 1.00 0.38 C ATOM 716 O MET A 32 -2.237 16.681 -3.078 1.00 0.39 O ATOM 717 CB MET A 32 -3.683 16.986 -6.054 1.00 0.48 C ATOM 718 CG MET A 32 -5.107 16.838 -6.562 1.00 0.55 C ATOM 719 SD MET A 32 -5.778 15.181 -6.334 1.00 0.97 S ATOM 720 CE MET A 32 -5.736 15.041 -4.552 1.00 0.48 C ATOM 0 H MET A 32 -3.875 19.450 -5.926 1.00 0.48 H new ATOM 0 HA MET A 32 -4.405 17.434 -4.087 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.088 17.501 -6.808 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.246 15.996 -5.924 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.746 17.555 -6.046 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.135 17.091 -7.622 1.00 0.55 H new ATOM 0 HE1 MET A 32 -6.003 14.025 -4.260 1.00 0.48 H new ATOM 0 HE2 MET A 32 -4.733 15.270 -4.193 1.00 0.48 H new ATOM 0 HE3 MET A 32 -6.447 15.743 -4.115 1.00 0.48 H new ATOM 730 N ARG A 33 -1.200 18.049 -4.520 1.00 0.39 N ATOM 731 CA ARG A 33 0.126 17.801 -3.985 1.00 0.41 C ATOM 732 C ARG A 33 0.223 18.278 -2.536 1.00 0.45 C ATOM 733 O ARG A 33 1.075 17.827 -1.773 1.00 0.60 O ATOM 734 CB ARG A 33 1.169 18.495 -4.861 1.00 0.49 C ATOM 735 CG ARG A 33 2.598 18.164 -4.482 1.00 0.90 C ATOM 736 CD ARG A 33 3.585 18.750 -5.473 1.00 0.71 C ATOM 737 NE ARG A 33 3.685 20.202 -5.348 1.00 0.77 N ATOM 738 CZ ARG A 33 3.517 21.061 -6.352 1.00 0.99 C ATOM 739 NH1 ARG A 33 3.163 20.633 -7.559 1.00 1.87 N ATOM 740 NH2 ARG A 33 3.688 22.358 -6.139 1.00 1.03 N ATOM 0 H ARG A 33 -1.225 18.729 -5.280 1.00 0.39 H new ATOM 0 HA ARG A 33 0.318 16.728 -3.992 1.00 0.41 H new ATOM 0 HB2 ARG A 33 1.003 18.213 -5.901 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.026 19.574 -4.796 1.00 0.49 H new ATOM 0 HG2 ARG A 33 2.810 18.549 -3.485 1.00 0.90 H new ATOM 0 HG3 ARG A 33 2.723 17.082 -4.439 1.00 0.90 H new ATOM 0 HD2 ARG A 33 4.567 18.304 -5.315 1.00 0.71 H new ATOM 0 HD3 ARG A 33 3.278 18.493 -6.487 1.00 0.71 H new ATOM 0 HE ARG A 33 3.899 20.585 -4.427 1.00 0.77 H new ATOM 0 HH11 ARG A 33 3.017 19.637 -7.724 1.00 1.87 H new ATOM 0 HH12 ARG A 33 3.037 21.300 -8.320 1.00 1.87 H new ATOM 0 HH21 ARG A 33 3.947 22.693 -5.211 1.00 1.03 H new ATOM 0 HH22 ARG A 33 3.561 23.021 -6.903 1.00 1.03 H new ATOM 754 N GLN A 34 -0.674 19.178 -2.163 1.00 0.41 N ATOM 755 CA GLN A 34 -0.735 19.677 -0.801 1.00 0.46 C ATOM 756 C GLN A 34 -1.546 18.730 0.074 1.00 0.47 C ATOM 757 O GLN A 34 -1.176 18.460 1.215 1.00 0.58 O ATOM 758 CB GLN A 34 -1.346 21.079 -0.770 1.00 0.51 C ATOM 759 CG GLN A 34 -0.468 22.138 -1.418 1.00 0.80 C ATOM 760 CD GLN A 34 0.881 22.297 -0.738 1.00 1.39 C ATOM 761 OE1 GLN A 34 1.879 22.604 -1.388 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.917 22.114 0.573 1.00 1.97 N ATOM 0 H GLN A 34 -1.372 19.578 -2.789 1.00 0.41 H new ATOM 0 HA GLN A 34 0.281 19.733 -0.409 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -2.310 21.058 -1.278 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -1.537 21.361 0.266 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -0.311 21.879 -2.465 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -0.991 23.094 -1.401 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.067 21.860 1.076 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.795 22.227 1.080 1.00 1.97 H new ATOM 771 N VAL A 35 -2.628 18.198 -0.482 1.00 0.42 N ATOM 772 CA VAL A 35 -3.538 17.327 0.254 1.00 0.42 C ATOM 773 C VAL A 35 -2.919 15.949 0.479 1.00 0.40 C ATOM 774 O VAL A 35 -2.800 15.485 1.613 1.00 0.44 O ATOM 775 CB VAL A 35 -4.870 17.171 -0.518 1.00 0.45 C ATOM 776 CG1 VAL A 35 -5.740 16.075 0.081 1.00 0.68 C ATOM 777 CG2 VAL A 35 -5.625 18.491 -0.551 1.00 0.65 C ATOM 0 H VAL A 35 -2.899 18.357 -1.452 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.729 17.787 1.224 1.00 0.42 H new ATOM 0 HB VAL A 35 -4.627 16.879 -1.540 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -6.667 15.995 -0.487 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.207 15.125 0.042 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -5.970 16.319 1.118 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -6.559 18.362 -1.098 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -5.842 18.811 0.468 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.015 19.247 -1.047 1.00 0.65 H new ATOM 787 N ILE A 36 -2.556 15.307 -0.621 1.00 0.38 N ATOM 788 CA ILE A 36 -1.934 13.983 -0.631 1.00 0.39 C ATOM 789 C ILE A 36 -0.776 13.836 0.367 1.00 0.46 C ATOM 790 O ILE A 36 -0.614 12.777 0.973 1.00 0.51 O ATOM 791 CB ILE A 36 -1.473 13.672 -2.060 1.00 0.42 C ATOM 792 CG1 ILE A 36 -2.684 13.789 -2.995 1.00 0.47 C ATOM 793 CG2 ILE A 36 -0.884 12.285 -2.127 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.357 13.778 -4.467 1.00 0.51 C ATOM 0 H ILE A 36 -2.687 15.697 -1.554 1.00 0.38 H new ATOM 0 HA ILE A 36 -2.683 13.262 -0.304 1.00 0.39 H new ATOM 0 HB ILE A 36 -0.702 14.378 -2.367 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.368 12.967 -2.784 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.215 14.712 -2.763 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.560 12.076 -3.147 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.029 12.220 -1.454 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -1.637 11.555 -1.828 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.277 13.865 -5.045 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -1.701 14.617 -4.700 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -1.856 12.844 -4.721 1.00 0.51 H new ATOM 806 N LYS A 37 0.009 14.891 0.570 1.00 0.52 N ATOM 807 CA LYS A 37 1.132 14.821 1.511 1.00 0.67 C ATOM 808 C LYS A 37 0.659 14.914 2.964 1.00 0.66 C ATOM 809 O LYS A 37 1.355 14.482 3.884 1.00 0.79 O ATOM 810 CB LYS A 37 2.155 15.923 1.239 1.00 0.91 C ATOM 811 CG LYS A 37 2.820 15.832 -0.124 1.00 0.75 C ATOM 812 CD LYS A 37 4.092 16.668 -0.180 1.00 0.94 C ATOM 813 CE LYS A 37 3.849 18.105 0.254 1.00 0.70 C ATOM 814 NZ LYS A 37 5.119 18.865 0.395 1.00 0.97 N ATOM 0 H LYS A 37 -0.105 15.792 0.106 1.00 0.52 H new ATOM 0 HA LYS A 37 1.606 13.851 1.359 1.00 0.67 H new ATOM 0 HB2 LYS A 37 1.662 16.891 1.326 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.925 15.887 2.010 1.00 0.91 H new ATOM 0 HG2 LYS A 37 3.057 14.791 -0.346 1.00 0.75 H new ATOM 0 HG3 LYS A 37 2.126 16.172 -0.892 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.850 16.219 0.462 1.00 0.94 H new ATOM 0 HD3 LYS A 37 4.488 16.658 -1.195 1.00 0.94 H new ATOM 0 HE2 LYS A 37 3.208 18.601 -0.475 1.00 0.70 H new ATOM 0 HE3 LYS A 37 3.315 18.112 1.204 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 4.909 19.839 0.692 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 5.720 18.407 1.109 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 5.617 18.881 -0.518 1.00 0.97 H new ATOM 828 N LEU A 38 -0.525 15.471 3.171 1.00 0.63 N ATOM 829 CA LEU A 38 -1.072 15.624 4.513 1.00 0.70 C ATOM 830 C LEU A 38 -1.897 14.403 4.889 1.00 0.65 C ATOM 831 O LEU A 38 -2.247 14.202 6.053 1.00 0.91 O ATOM 832 CB LEU A 38 -1.941 16.876 4.585 1.00 0.82 C ATOM 833 CG LEU A 38 -1.209 18.186 4.327 1.00 1.08 C ATOM 834 CD1 LEU A 38 -2.209 19.294 4.070 1.00 2.08 C ATOM 835 CD2 LEU A 38 -0.304 18.539 5.499 1.00 1.61 C ATOM 0 H LEU A 38 -1.126 15.825 2.427 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.245 15.722 5.216 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -2.749 16.781 3.860 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.402 16.923 5.572 1.00 0.82 H new ATOM 0 HG LEU A 38 -0.582 18.068 3.444 1.00 1.08 H new ATOM 0 HD11 LEU A 38 -1.678 20.228 3.886 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -2.814 19.043 3.199 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -2.856 19.409 4.940 1.00 2.08 H new ATOM 0 HD21 LEU A 38 0.209 19.478 5.293 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -0.904 18.644 6.403 1.00 1.61 H new ATOM 0 HD23 LEU A 38 0.432 17.748 5.642 1.00 1.61 H new ATOM 847 N ALA A 39 -2.202 13.594 3.888 1.00 0.52 N ATOM 848 CA ALA A 39 -3.001 12.403 4.085 1.00 0.53 C ATOM 849 C ALA A 39 -2.184 11.299 4.738 1.00 0.60 C ATOM 850 O ALA A 39 -1.278 10.731 4.123 1.00 1.03 O ATOM 851 CB ALA A 39 -3.575 11.928 2.759 1.00 0.55 C ATOM 0 H ALA A 39 -1.904 13.745 2.924 1.00 0.52 H new ATOM 0 HA ALA A 39 -3.824 12.652 4.754 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.174 11.032 2.922 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.202 12.711 2.333 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -2.761 11.701 2.071 1.00 0.55 H new ATOM 857 N GLY A 40 -2.495 11.020 5.992 1.00 0.43 N ATOM 858 CA GLY A 40 -1.875 9.909 6.674 1.00 0.46 C ATOM 859 C GLY A 40 -2.507 8.609 6.243 1.00 0.46 C ATOM 860 O GLY A 40 -3.655 8.599 5.803 1.00 0.84 O ATOM 0 H GLY A 40 -3.168 11.545 6.550 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -0.807 9.891 6.457 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -1.979 10.032 7.752 1.00 0.46 H new ATOM 864 N VAL A 41 -1.773 7.516 6.352 1.00 0.44 N ATOM 865 CA VAL A 41 -2.265 6.235 5.880 1.00 0.45 C ATOM 866 C VAL A 41 -2.020 5.148 6.918 1.00 0.36 C ATOM 867 O VAL A 41 -0.928 5.033 7.477 1.00 0.41 O ATOM 868 CB VAL A 41 -1.603 5.827 4.544 1.00 0.67 C ATOM 869 CG1 VAL A 41 -2.203 4.531 4.018 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.730 6.934 3.504 1.00 1.30 C ATOM 0 H VAL A 41 -0.839 7.490 6.761 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.337 6.345 5.715 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.542 5.665 4.736 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.722 4.263 3.077 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -2.045 3.735 4.746 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -3.272 4.665 3.854 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -1.255 6.617 2.576 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.784 7.141 3.320 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -1.242 7.836 3.872 1.00 1.30 H new ATOM 880 N THR A 42 -3.054 4.373 7.193 1.00 0.31 N ATOM 881 CA THR A 42 -2.955 3.243 8.092 1.00 0.30 C ATOM 882 C THR A 42 -3.007 1.944 7.295 1.00 0.29 C ATOM 883 O THR A 42 -4.058 1.573 6.768 1.00 0.32 O ATOM 884 CB THR A 42 -4.098 3.259 9.124 1.00 0.35 C ATOM 885 OG1 THR A 42 -4.173 4.548 9.747 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.887 2.194 10.190 1.00 0.45 C ATOM 0 H THR A 42 -3.984 4.511 6.798 1.00 0.31 H new ATOM 0 HA THR A 42 -2.006 3.311 8.624 1.00 0.30 H new ATOM 0 HB THR A 42 -5.030 3.047 8.601 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.903 4.553 10.401 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.709 2.228 10.906 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.855 1.211 9.721 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.946 2.380 10.709 1.00 0.45 H new ATOM 894 N LYS A 43 -1.864 1.281 7.185 1.00 0.31 N ATOM 895 CA LYS A 43 -1.774 0.020 6.463 1.00 0.35 C ATOM 896 C LYS A 43 -2.179 -1.131 7.372 1.00 0.33 C ATOM 897 O LYS A 43 -1.685 -1.244 8.492 1.00 0.41 O ATOM 898 CB LYS A 43 -0.344 -0.208 5.962 1.00 0.50 C ATOM 899 CG LYS A 43 0.157 0.855 4.997 1.00 0.77 C ATOM 900 CD LYS A 43 -0.544 0.773 3.652 1.00 0.53 C ATOM 901 CE LYS A 43 -0.063 1.864 2.712 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.704 1.790 1.371 1.00 0.79 N ATOM 0 H LYS A 43 -0.982 1.598 7.589 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.449 0.064 5.608 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.327 -0.249 6.820 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.294 -1.180 5.472 1.00 0.50 H new ATOM 0 HG2 LYS A 43 -0.002 1.843 5.430 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.231 0.739 4.854 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -0.361 -0.203 3.203 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.621 0.862 3.795 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.270 2.838 3.156 1.00 0.59 H new ATOM 0 HE3 LYS A 43 1.018 1.789 2.598 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.516 2.669 0.847 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -0.314 0.982 0.844 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -1.731 1.667 1.483 1.00 0.79 H new ATOM 916 N LYS A 44 -3.079 -1.973 6.899 1.00 0.31 N ATOM 917 CA LYS A 44 -3.504 -3.131 7.666 1.00 0.35 C ATOM 918 C LYS A 44 -3.407 -4.397 6.828 1.00 0.34 C ATOM 919 O LYS A 44 -4.217 -4.622 5.931 1.00 0.47 O ATOM 920 CB LYS A 44 -4.935 -2.952 8.176 1.00 0.44 C ATOM 921 CG LYS A 44 -5.081 -1.882 9.245 1.00 0.90 C ATOM 922 CD LYS A 44 -6.533 -1.658 9.662 1.00 0.88 C ATOM 923 CE LYS A 44 -7.094 -2.810 10.493 1.00 1.39 C ATOM 924 NZ LYS A 44 -7.476 -3.991 9.666 1.00 1.96 N ATOM 0 H LYS A 44 -3.530 -1.878 5.989 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.838 -3.225 8.524 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.581 -2.701 7.335 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.288 -3.902 8.577 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.496 -2.166 10.120 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.665 -0.945 8.874 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.603 -0.734 10.236 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -7.146 -1.527 8.770 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.351 -3.114 11.231 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -7.967 -2.462 11.045 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.252 -4.504 10.131 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -7.786 -3.671 8.726 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -6.656 -4.623 9.563 1.00 1.96 H new ATOM 938 N PHE A 45 -2.409 -5.207 7.125 1.00 0.29 N ATOM 939 CA PHE A 45 -2.226 -6.483 6.454 1.00 0.29 C ATOM 940 C PHE A 45 -2.532 -7.608 7.426 1.00 0.30 C ATOM 941 O PHE A 45 -1.900 -7.708 8.475 1.00 0.37 O ATOM 942 CB PHE A 45 -0.793 -6.635 5.950 1.00 0.32 C ATOM 943 CG PHE A 45 -0.373 -5.633 4.914 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.100 -4.385 5.287 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.428 -5.950 3.566 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.507 -3.472 4.338 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.025 -5.038 2.613 1.00 0.52 C ATOM 948 CZ PHE A 45 0.445 -3.800 3.000 1.00 0.54 C ATOM 0 H PHE A 45 -1.705 -5.002 7.834 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.902 -6.524 5.600 1.00 0.29 H new ATOM 0 HB2 PHE A 45 -0.115 -6.561 6.801 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.675 -7.636 5.534 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.150 -4.125 6.334 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.790 -6.920 3.259 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.873 -2.502 4.641 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.077 -5.293 1.565 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.765 -3.087 2.254 1.00 0.54 H new ATOM 958 N ARG A 46 -3.498 -8.445 7.100 1.00 0.31 N ATOM 959 CA ARG A 46 -3.872 -9.529 7.992 1.00 0.33 C ATOM 960 C ARG A 46 -4.377 -10.729 7.211 1.00 0.31 C ATOM 961 O ARG A 46 -4.712 -10.621 6.035 1.00 0.33 O ATOM 962 CB ARG A 46 -4.950 -9.058 8.974 1.00 0.39 C ATOM 963 CG ARG A 46 -6.251 -8.647 8.299 1.00 0.50 C ATOM 964 CD ARG A 46 -7.285 -8.176 9.309 1.00 0.64 C ATOM 965 NE ARG A 46 -7.618 -9.217 10.276 1.00 1.51 N ATOM 966 CZ ARG A 46 -8.594 -9.122 11.176 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.351 -8.033 11.240 1.00 1.85 N ATOM 968 NH2 ARG A 46 -8.814 -10.127 12.013 1.00 3.17 N ATOM 0 H ARG A 46 -4.034 -8.398 6.234 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.984 -9.829 8.548 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.156 -9.858 9.685 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.565 -8.214 9.546 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -6.053 -7.850 7.582 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.651 -9.490 7.736 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -6.905 -7.300 9.835 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -8.189 -7.866 8.785 1.00 0.64 H new ATOM 0 HE ARG A 46 -7.066 -10.075 10.261 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -9.187 -7.259 10.596 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -10.096 -7.970 11.933 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -8.237 -10.967 11.965 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -9.560 -10.060 12.705 1.00 3.17 H new ATOM 982 N ASN A 47 -4.407 -11.871 7.878 1.00 0.33 N ATOM 983 CA ASN A 47 -5.029 -13.070 7.330 1.00 0.37 C ATOM 984 C ASN A 47 -6.523 -12.800 7.210 1.00 0.39 C ATOM 985 O ASN A 47 -7.075 -12.101 8.064 1.00 0.54 O ATOM 986 CB ASN A 47 -4.773 -14.269 8.247 1.00 0.50 C ATOM 987 CG ASN A 47 -4.605 -15.564 7.479 1.00 0.92 C ATOM 988 OD1 ASN A 47 -5.577 -16.251 7.168 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.361 -15.921 7.193 1.00 1.44 N ATOM 0 H ASN A 47 -4.005 -11.995 8.807 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.607 -13.306 6.353 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -3.877 -14.084 8.840 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -5.603 -14.371 8.946 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -3.182 -16.794 6.697 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -2.582 -15.322 7.469 1.00 1.44 H new ATOM 996 N ALA A 48 -7.176 -13.328 6.166 1.00 0.36 N ATOM 997 CA ALA A 48 -8.571 -12.983 5.867 1.00 0.41 C ATOM 998 C ALA A 48 -9.449 -13.044 7.103 1.00 0.64 C ATOM 999 O ALA A 48 -9.462 -14.036 7.838 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.125 -13.883 4.773 1.00 0.49 C ATOM 0 H ALA A 48 -6.761 -13.995 5.515 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.580 -11.953 5.512 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.160 -13.610 4.567 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.531 -13.763 3.867 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.082 -14.922 5.100 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.198 -11.971 7.290 1.00 0.83 N ATOM 1007 CA ALA A 49 -10.929 -11.728 8.517 1.00 1.18 C ATOM 1008 C ALA A 49 -12.046 -12.735 8.713 1.00 1.17 C ATOM 1009 O ALA A 49 -12.348 -13.125 9.840 1.00 1.46 O ATOM 1010 CB ALA A 49 -11.481 -10.319 8.503 1.00 1.48 C ATOM 0 H ALA A 49 -10.315 -11.240 6.588 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.241 -11.843 9.355 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -12.031 -10.135 9.426 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -10.659 -9.607 8.422 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.150 -10.199 7.651 1.00 1.48 H new ATOM 1016 N SER A 50 -12.654 -13.161 7.615 1.00 1.12 N ATOM 1017 CA SER A 50 -13.728 -14.143 7.652 1.00 1.50 C ATOM 1018 C SER A 50 -13.215 -15.553 7.978 1.00 1.66 C ATOM 1019 O SER A 50 -13.936 -16.536 7.809 1.00 2.19 O ATOM 1020 CB SER A 50 -14.437 -14.139 6.298 1.00 1.77 C ATOM 1021 OG SER A 50 -14.855 -12.827 5.949 1.00 2.37 O ATOM 0 H SER A 50 -12.418 -12.837 6.677 1.00 1.12 H new ATOM 0 HA SER A 50 -14.420 -13.868 8.448 1.00 1.50 H new ATOM 0 HB2 SER A 50 -13.767 -14.528 5.531 1.00 1.77 H new ATOM 0 HB3 SER A 50 -15.301 -14.803 6.333 1.00 1.77 H new ATOM 0 HG SER A 50 -15.305 -12.848 5.078 1.00 2.37 H new ATOM 1027 N GLY A 51 -11.972 -15.645 8.438 1.00 1.42 N ATOM 1028 CA GLY A 51 -11.420 -16.926 8.835 1.00 1.68 C ATOM 1029 C GLY A 51 -11.032 -17.797 7.656 1.00 1.70 C ATOM 1030 O GLY A 51 -11.081 -19.024 7.741 1.00 1.91 O ATOM 0 H GLY A 51 -11.337 -14.854 8.543 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -10.543 -16.759 9.460 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -12.151 -17.456 9.446 1.00 1.68 H new ATOM 1034 N LYS A 52 -10.668 -17.168 6.551 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.216 -17.899 5.377 1.00 1.60 C ATOM 1036 C LYS A 52 -8.700 -18.036 5.398 1.00 1.44 C ATOM 1037 O LYS A 52 -7.985 -17.039 5.491 1.00 1.37 O ATOM 1038 CB LYS A 52 -10.655 -17.188 4.097 1.00 1.62 C ATOM 1039 CG LYS A 52 -12.158 -16.999 3.984 1.00 1.92 C ATOM 1040 CD LYS A 52 -12.528 -16.246 2.718 1.00 1.94 C ATOM 1041 CE LYS A 52 -14.029 -16.039 2.604 1.00 2.59 C ATOM 1042 NZ LYS A 52 -14.766 -17.327 2.542 1.00 3.17 N ATOM 0 H LYS A 52 -10.676 -16.154 6.441 1.00 1.54 H new ATOM 0 HA LYS A 52 -10.666 -18.892 5.396 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -10.171 -16.212 4.051 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -10.305 -17.759 3.237 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -12.650 -17.972 3.988 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -12.524 -16.454 4.854 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -12.026 -15.279 2.710 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -12.170 -16.798 1.849 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -14.381 -15.461 3.458 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -14.247 -15.453 1.711 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -15.752 -17.150 2.263 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -14.315 -17.952 1.843 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -14.748 -17.783 3.477 1.00 3.17 H new ATOM 1056 N PRO A 53 -8.189 -19.273 5.339 1.00 1.49 N ATOM 1057 CA PRO A 53 -6.752 -19.530 5.307 1.00 1.40 C ATOM 1058 C PRO A 53 -6.156 -19.236 3.936 1.00 1.15 C ATOM 1059 O PRO A 53 -6.830 -19.403 2.913 1.00 1.15 O ATOM 1060 CB PRO A 53 -6.659 -21.020 5.626 1.00 1.68 C ATOM 1061 CG PRO A 53 -7.929 -21.588 5.104 1.00 1.84 C ATOM 1062 CD PRO A 53 -8.974 -20.521 5.300 1.00 1.76 C ATOM 0 HA PRO A 53 -6.199 -18.899 6.003 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -5.793 -21.476 5.147 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -6.557 -21.192 6.698 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -7.834 -21.852 4.051 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -8.197 -22.499 5.638 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -9.698 -20.514 4.486 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -9.534 -20.672 6.223 1.00 1.76 H new ATOM 1070 N ASP A 54 -4.907 -18.761 3.938 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.163 -18.415 2.721 1.00 0.90 C ATOM 1072 C ASP A 54 -4.624 -17.060 2.212 1.00 0.68 C ATOM 1073 O ASP A 54 -3.818 -16.165 1.958 1.00 0.97 O ATOM 1074 CB ASP A 54 -4.319 -19.487 1.631 1.00 1.06 C ATOM 1075 CG ASP A 54 -3.628 -19.114 0.336 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -4.297 -18.569 -0.570 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -2.414 -19.377 0.208 1.00 1.60 O ATOM 0 H ASP A 54 -4.377 -18.604 4.795 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.103 -18.367 2.971 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -3.913 -20.431 1.995 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -5.379 -19.650 1.438 1.00 1.06 H new ATOM 1082 N ARG A 55 -5.926 -16.946 2.045 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.583 -15.692 1.721 1.00 0.47 C ATOM 1084 C ARG A 55 -6.245 -14.621 2.759 1.00 0.41 C ATOM 1085 O ARG A 55 -6.300 -14.877 3.962 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.094 -15.938 1.676 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.900 -14.802 1.080 1.00 1.24 C ATOM 1088 CD ARG A 55 -8.578 -14.599 -0.390 1.00 1.87 C ATOM 1089 NE ARG A 55 -8.819 -15.797 -1.192 1.00 2.57 N ATOM 1090 CZ ARG A 55 -9.363 -15.779 -2.407 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -9.782 -14.634 -2.932 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -9.503 -16.908 -3.092 1.00 4.10 N ATOM 0 H ARG A 55 -6.569 -17.733 2.132 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.235 -15.333 0.752 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.285 -16.843 1.099 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.449 -16.125 2.689 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -9.964 -15.011 1.195 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -8.695 -13.883 1.628 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -9.181 -13.779 -0.780 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -7.534 -14.303 -0.491 1.00 1.87 H new ATOM 0 HE ARG A 55 -8.555 -16.700 -0.798 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -9.687 -13.766 -2.404 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -10.199 -14.622 -3.863 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -9.193 -17.792 -2.687 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -9.920 -16.891 -4.023 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.871 -13.436 2.299 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.546 -12.343 3.204 1.00 0.32 C ATOM 1108 C TYR A 56 -6.543 -11.195 3.088 1.00 0.33 C ATOM 1109 O TYR A 56 -7.398 -11.177 2.201 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.130 -11.825 2.932 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.030 -12.702 3.490 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.299 -13.557 2.675 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.726 -12.669 4.843 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.297 -14.354 3.198 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.726 -13.460 5.371 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.015 -14.302 4.547 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.019 -15.093 5.077 1.00 0.97 O ATOM 0 H TYR A 56 -5.785 -13.207 1.309 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.601 -12.737 4.219 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.991 -11.729 1.855 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -4.033 -10.826 3.357 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.516 -13.600 1.618 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.282 -12.012 5.495 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -0.737 -15.015 2.552 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.502 -13.418 6.427 1.00 0.69 H new ATOM 0 HH TYR A 56 0.840 -14.627 5.008 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.424 -10.248 4.006 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.240 -9.040 4.015 1.00 0.34 C ATOM 1129 C ASP A 57 -6.328 -7.837 4.224 1.00 0.29 C ATOM 1130 O ASP A 57 -5.427 -7.875 5.062 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.293 -9.117 5.132 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.160 -7.873 5.232 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.738 -6.891 5.880 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.283 -7.878 4.687 1.00 0.99 O ATOM 0 H ASP A 57 -5.753 -10.295 4.773 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.764 -8.941 3.065 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.932 -9.983 4.959 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.789 -9.277 6.085 1.00 0.43 H new ATOM 1139 N MET A 58 -6.538 -6.780 3.455 1.00 0.27 N ATOM 1140 CA MET A 58 -5.669 -5.608 3.527 1.00 0.26 C ATOM 1141 C MET A 58 -6.492 -4.351 3.319 1.00 0.27 C ATOM 1142 O MET A 58 -7.420 -4.345 2.524 1.00 0.33 O ATOM 1143 CB MET A 58 -4.547 -5.708 2.475 1.00 0.30 C ATOM 1144 CG MET A 58 -3.459 -4.643 2.593 1.00 0.51 C ATOM 1145 SD MET A 58 -3.938 -3.048 1.910 1.00 0.98 S ATOM 1146 CE MET A 58 -2.505 -2.061 2.335 1.00 0.36 C ATOM 0 H MET A 58 -7.296 -6.706 2.777 1.00 0.27 H new ATOM 0 HA MET A 58 -5.205 -5.564 4.512 1.00 0.26 H new ATOM 0 HB2 MET A 58 -4.083 -6.691 2.552 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.993 -5.643 1.482 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.199 -4.516 3.644 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.562 -4.993 2.082 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.770 -1.356 3.123 1.00 0.36 H new ATOM 0 HE2 MET A 58 -1.705 -2.713 2.685 1.00 0.36 H new ATOM 0 HE3 MET A 58 -2.167 -1.512 1.456 1.00 0.36 H new ATOM 1156 N GLU A 59 -6.161 -3.292 4.032 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.907 -2.055 3.901 1.00 0.32 C ATOM 1158 C GLU A 59 -6.030 -0.841 4.155 1.00 0.31 C ATOM 1159 O GLU A 59 -4.981 -0.938 4.798 1.00 0.31 O ATOM 1160 CB GLU A 59 -8.132 -2.055 4.828 1.00 0.46 C ATOM 1161 CG GLU A 59 -7.798 -2.146 6.304 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.034 -2.202 7.180 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.273 -3.260 7.807 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -9.771 -1.198 7.249 1.00 1.11 O ATOM 0 H GLU A 59 -5.391 -3.262 4.700 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.259 -1.991 2.871 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.705 -1.145 4.653 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -8.775 -2.893 4.561 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -7.191 -3.034 6.481 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -7.194 -1.285 6.590 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.470 0.296 3.630 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.736 1.547 3.748 1.00 0.42 C ATOM 1173 C ASN A 60 -6.664 2.639 4.233 1.00 0.46 C ATOM 1174 O ASN A 60 -7.429 3.203 3.449 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.139 1.980 2.404 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.238 0.940 1.784 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.051 0.911 2.055 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -4.790 0.094 0.932 1.00 1.02 N ATOM 0 H ASN A 60 -7.345 0.375 3.111 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.925 1.386 4.458 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -5.949 2.207 1.711 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.574 2.901 2.546 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -4.218 -0.616 0.475 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -5.788 0.151 0.731 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.616 2.921 5.518 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.411 3.999 6.079 1.00 0.39 C ATOM 1187 C LEU A 61 -6.604 5.283 6.082 1.00 0.39 C ATOM 1188 O LEU A 61 -5.493 5.319 6.603 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.875 3.650 7.492 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.855 2.484 7.572 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -9.189 2.174 9.017 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -10.118 2.801 6.783 1.00 1.66 C ATOM 0 H LEU A 61 -6.038 2.422 6.194 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.298 4.141 5.461 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -7.001 3.414 8.099 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -8.342 4.530 7.934 1.00 0.42 H new ATOM 0 HG LEU A 61 -8.388 1.603 7.133 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.889 1.340 9.058 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -8.277 1.909 9.552 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.641 3.050 9.482 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -10.809 1.960 6.849 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -10.591 3.692 7.196 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.860 2.978 5.739 1.00 1.66 H new ATOM 1204 N THR A 62 -7.149 6.328 5.483 1.00 0.34 N ATOM 1205 CA THR A 62 -6.425 7.573 5.353 1.00 0.35 C ATOM 1206 C THR A 62 -7.258 8.717 5.903 1.00 0.37 C ATOM 1207 O THR A 62 -8.171 8.497 6.700 1.00 0.43 O ATOM 1208 CB THR A 62 -6.039 7.857 3.881 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.197 8.183 3.106 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.355 6.650 3.259 1.00 0.45 C ATOM 0 H THR A 62 -8.087 6.336 5.082 1.00 0.34 H new ATOM 0 HA THR A 62 -5.503 7.485 5.928 1.00 0.35 H new ATOM 0 HB THR A 62 -5.352 8.703 3.881 1.00 0.36 H new ATOM 0 HG1 THR A 62 -6.932 8.728 2.336 1.00 0.34 H new ATOM 0 HG21 THR A 62 -5.093 6.873 2.225 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.450 6.415 3.820 1.00 0.45 H new ATOM 0 HG23 THR A 62 -6.031 5.795 3.286 1.00 0.45 H new ATOM 1218 N THR A 63 -6.961 9.926 5.479 1.00 0.42 N ATOM 1219 CA THR A 63 -7.677 11.081 5.961 1.00 0.46 C ATOM 1220 C THR A 63 -8.766 11.490 4.974 1.00 0.46 C ATOM 1221 O THR A 63 -9.864 11.892 5.366 1.00 0.54 O ATOM 1222 CB THR A 63 -6.699 12.244 6.191 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.070 12.611 4.955 1.00 0.52 O ATOM 1224 CG2 THR A 63 -5.634 11.831 7.191 1.00 0.50 C ATOM 0 H THR A 63 -6.228 10.132 4.801 1.00 0.42 H new ATOM 0 HA THR A 63 -8.154 10.826 6.907 1.00 0.46 H new ATOM 0 HB THR A 63 -7.255 13.097 6.580 1.00 0.50 H new ATOM 0 HG1 THR A 63 -5.854 13.567 4.969 1.00 0.52 H new ATOM 0 HG21 THR A 63 -4.944 12.659 7.350 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.106 11.566 8.137 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.086 10.971 6.805 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.465 11.340 3.689 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.365 11.774 2.630 1.00 0.50 C ATOM 1234 C LYS A 64 -10.121 10.599 2.027 1.00 0.49 C ATOM 1235 O LYS A 64 -11.206 10.767 1.470 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.573 12.489 1.534 1.00 0.59 C ATOM 1237 CG LYS A 64 -7.979 13.817 1.970 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.065 14.838 2.260 1.00 0.88 C ATOM 1239 CE LYS A 64 -8.483 16.199 2.605 1.00 1.64 C ATOM 1240 NZ LYS A 64 -9.543 17.223 2.793 1.00 2.24 N ATOM 0 H LYS A 64 -7.598 10.918 3.355 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.091 12.459 3.068 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -7.768 11.836 1.196 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.227 12.658 0.678 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.368 13.670 2.861 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.319 14.196 1.190 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.717 14.931 1.392 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -9.683 14.487 3.087 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -7.889 16.120 3.516 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -7.808 16.517 1.811 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -9.105 18.137 3.027 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -10.094 17.317 1.916 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -10.173 16.932 3.568 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.552 9.410 2.143 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.125 8.237 1.512 1.00 0.49 C ATOM 1256 C LYS A 65 -10.050 7.044 2.453 1.00 0.52 C ATOM 1257 O LYS A 65 -10.104 7.195 3.677 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.414 7.964 0.168 1.00 0.73 C ATOM 1259 CG LYS A 65 -10.185 7.043 -0.787 1.00 1.18 C ATOM 1260 CD LYS A 65 -11.593 7.541 -1.069 1.00 1.22 C ATOM 1261 CE LYS A 65 -12.433 6.473 -1.753 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.603 5.264 -0.898 1.00 1.82 N ATOM 0 H LYS A 65 -8.695 9.234 2.668 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.179 8.414 1.298 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -9.234 8.915 -0.332 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -8.439 7.521 0.371 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -9.638 6.960 -1.726 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -10.237 6.042 -0.358 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -12.070 7.838 -0.135 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -11.547 8.429 -1.699 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -13.412 6.884 -1.999 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -11.962 6.188 -2.694 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -13.338 4.651 -1.305 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -11.704 4.742 -0.852 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -12.885 5.553 0.060 1.00 1.82 H new ATOM 1276 N ASP A 66 -9.866 5.889 1.863 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.063 4.601 2.516 1.00 0.39 C ATOM 1278 C ASP A 66 -10.161 3.520 1.451 1.00 0.43 C ATOM 1279 O ASP A 66 -10.630 3.781 0.343 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.348 4.583 3.358 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.612 4.588 2.512 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -13.380 3.604 2.579 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -12.840 5.566 1.764 1.00 2.12 O ATOM 0 H ASP A 66 -9.568 5.807 0.891 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.217 4.423 3.180 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.347 3.698 3.994 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -11.356 5.450 4.018 1.00 0.57 H new ATOM 1288 N THR A 67 -9.693 2.330 1.780 1.00 0.35 N ATOM 1289 CA THR A 67 -9.841 1.163 0.921 1.00 0.32 C ATOM 1290 C THR A 67 -9.896 -0.071 1.797 1.00 0.26 C ATOM 1291 O THR A 67 -9.306 -0.077 2.877 1.00 0.30 O ATOM 1292 CB THR A 67 -8.665 0.990 -0.067 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.424 1.090 0.634 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.705 2.019 -1.180 1.00 0.56 C ATOM 0 H THR A 67 -9.198 2.142 2.652 1.00 0.35 H new ATOM 0 HA THR A 67 -10.752 1.301 0.338 1.00 0.32 H new ATOM 0 HB THR A 67 -8.758 0.003 -0.521 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.777 1.582 0.086 1.00 0.38 H new ATOM 0 HG21 THR A 67 -7.861 1.862 -1.852 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.636 1.916 -1.737 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.647 3.020 -0.752 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.592 -1.104 1.360 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.601 -2.348 2.100 1.00 0.23 C ATOM 1304 C HIS A 68 -10.643 -3.523 1.139 1.00 0.22 C ATOM 1305 O HIS A 68 -11.699 -3.905 0.640 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.773 -2.416 3.082 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.588 -3.463 4.141 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.049 -3.326 5.432 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -10.983 -4.674 4.090 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -11.733 -4.405 6.126 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.086 -5.235 5.333 1.00 1.95 N ATOM 0 H HIS A 68 -11.151 -1.106 0.507 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.683 -2.396 2.686 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.899 -1.443 3.558 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.691 -2.622 2.531 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.507 -5.115 3.227 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -11.965 -4.577 7.166 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -10.721 -6.148 5.603 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.479 -4.096 0.908 1.00 0.23 N ATOM 1321 CA HIS A 69 -9.335 -5.237 0.024 1.00 0.26 C ATOM 1322 C HIS A 69 -9.754 -6.504 0.764 1.00 0.29 C ATOM 1323 O HIS A 69 -8.909 -7.212 1.317 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.878 -5.375 -0.439 1.00 0.32 C ATOM 1325 CG HIS A 69 -7.237 -4.097 -0.901 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.913 -3.102 -1.571 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.959 -3.661 -0.787 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -7.081 -2.116 -1.853 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.885 -2.429 -1.390 1.00 0.39 N ATOM 0 H HIS A 69 -8.604 -3.783 1.329 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.969 -5.090 -0.850 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -7.289 -5.784 0.382 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.838 -6.099 -1.252 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -5.146 -4.187 -0.309 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.336 -1.206 -2.375 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -5.047 -1.853 -1.467 1.00 0.39 H new ATOM 1338 N LYS A 70 -11.058 -6.751 0.823 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.585 -7.929 1.502 1.00 0.37 C ATOM 1340 C LYS A 70 -11.303 -9.211 0.738 1.00 0.31 C ATOM 1341 O LYS A 70 -11.684 -9.348 -0.429 1.00 0.33 O ATOM 1342 CB LYS A 70 -13.081 -7.788 1.723 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.406 -6.738 2.739 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.888 -6.492 2.847 1.00 1.00 C ATOM 1345 CE LYS A 70 -15.122 -5.406 3.853 1.00 1.43 C ATOM 1346 NZ LYS A 70 -14.979 -5.903 5.250 1.00 2.30 N ATOM 0 H LYS A 70 -11.770 -6.150 0.408 1.00 0.31 H new ATOM 0 HA LYS A 70 -11.074 -7.995 2.463 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.564 -7.539 0.778 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -13.490 -8.745 2.048 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -13.018 -7.043 3.711 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -12.903 -5.808 2.472 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.295 -6.204 1.878 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.402 -7.405 3.150 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.415 -4.594 3.682 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -16.121 -4.993 3.715 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.279 -5.162 5.915 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -15.573 -6.747 5.381 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -13.985 -6.148 5.431 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.616 -10.128 1.411 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.406 -11.486 0.917 1.00 0.37 C ATOM 1362 C ASP A 71 -9.678 -11.482 -0.421 1.00 0.33 C ATOM 1363 O ASP A 71 -10.244 -11.833 -1.460 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.734 -12.246 0.780 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.516 -12.315 2.073 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -12.102 -13.049 2.991 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -13.563 -11.636 2.175 1.00 2.07 O ATOM 0 H ASP A 71 -10.187 -9.950 2.319 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.786 -11.998 1.653 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.345 -11.762 0.018 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.532 -13.258 0.431 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.418 -11.095 -0.393 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.598 -11.108 -1.587 1.00 0.30 C ATOM 1374 C TRP A 72 -6.560 -12.211 -1.487 1.00 0.31 C ATOM 1375 O TRP A 72 -6.065 -12.514 -0.397 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.914 -9.755 -1.794 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.986 -9.359 -0.685 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.303 -8.644 0.429 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.585 -9.645 -0.591 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.191 -8.477 1.213 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.124 -9.079 0.607 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.673 -10.328 -1.396 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.795 -9.176 1.010 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.358 -10.412 -0.980 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.937 -9.843 0.206 1.00 0.43 C ATOM 0 H TRP A 72 -7.939 -10.767 0.446 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.241 -11.298 -2.446 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.354 -9.783 -2.729 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.679 -8.987 -1.904 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.287 -8.264 0.661 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.164 -7.983 2.105 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.988 -10.781 -2.324 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.460 -8.732 1.936 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.642 -10.935 -1.597 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.901 -9.933 0.497 1.00 0.43 H new ATOM 1396 N ALA A 73 -6.255 -12.840 -2.602 1.00 0.41 N ATOM 1397 CA ALA A 73 -5.233 -13.858 -2.626 1.00 0.50 C ATOM 1398 C ALA A 73 -4.048 -13.356 -3.423 1.00 0.48 C ATOM 1399 O ALA A 73 -4.220 -12.718 -4.457 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.787 -15.139 -3.225 1.00 0.55 C ATOM 0 H ALA A 73 -6.701 -12.663 -3.502 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.907 -14.076 -1.609 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -5.008 -15.901 -3.239 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.626 -15.489 -2.624 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -6.125 -14.948 -4.243 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.851 -13.582 -2.919 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.658 -13.176 -3.631 1.00 0.67 C ATOM 1408 C LEU A 74 -1.578 -13.903 -4.974 1.00 0.57 C ATOM 1409 O LEU A 74 -1.699 -15.127 -5.048 1.00 0.56 O ATOM 1410 CB LEU A 74 -0.426 -13.438 -2.763 1.00 0.95 C ATOM 1411 CG LEU A 74 0.838 -12.689 -3.178 1.00 0.68 C ATOM 1412 CD1 LEU A 74 1.757 -12.496 -1.985 1.00 1.28 C ATOM 1413 CD2 LEU A 74 1.560 -13.441 -4.278 1.00 1.71 C ATOM 0 H LEU A 74 -2.680 -14.042 -2.025 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.697 -12.107 -3.840 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -0.664 -13.171 -1.733 1.00 0.95 H new ATOM 0 HB3 LEU A 74 -0.215 -14.507 -2.775 1.00 0.95 H new ATOM 0 HG LEU A 74 0.549 -11.709 -3.556 1.00 0.68 H new ATOM 0 HD11 LEU A 74 2.653 -11.960 -2.299 1.00 1.28 H new ATOM 0 HD12 LEU A 74 1.240 -11.920 -1.217 1.00 1.28 H new ATOM 0 HD13 LEU A 74 2.038 -13.469 -1.581 1.00 1.28 H new ATOM 0 HD21 LEU A 74 2.459 -12.894 -4.563 1.00 1.71 H new ATOM 0 HD22 LEU A 74 1.837 -14.433 -3.920 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.904 -13.538 -5.143 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.359 -13.133 -6.027 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.442 -13.655 -7.375 1.00 0.56 C ATOM 1427 C GLY A 75 -2.832 -13.492 -7.961 1.00 0.51 C ATOM 1428 O GLY A 75 -3.139 -14.038 -9.021 1.00 0.59 O ATOM 0 H GLY A 75 -1.122 -12.142 -5.971 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.719 -13.141 -8.008 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.171 -14.711 -7.373 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.672 -12.739 -7.265 1.00 0.42 N ATOM 1433 CA GLU A 76 -5.043 -12.514 -7.697 1.00 0.40 C ATOM 1434 C GLU A 76 -5.321 -11.014 -7.807 1.00 0.36 C ATOM 1435 O GLU A 76 -4.548 -10.193 -7.307 1.00 0.47 O ATOM 1436 CB GLU A 76 -6.019 -13.185 -6.717 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.468 -13.198 -7.180 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.621 -13.779 -8.567 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -7.749 -12.995 -9.530 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -7.594 -15.019 -8.702 1.00 1.59 O ATOM 0 H GLU A 76 -3.425 -12.271 -6.393 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.186 -12.959 -8.682 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.696 -14.212 -6.548 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.962 -12.671 -5.758 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -8.067 -13.778 -6.477 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.860 -12.181 -7.169 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.424 -10.674 -8.457 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.820 -9.289 -8.644 1.00 0.43 C ATOM 1449 C GLU A 77 -8.286 -9.150 -8.270 1.00 0.44 C ATOM 1450 O GLU A 77 -9.072 -10.082 -8.450 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.616 -8.849 -10.092 1.00 0.53 C ATOM 1452 CG GLU A 77 -7.575 -9.517 -11.051 1.00 0.74 C ATOM 1453 CD GLU A 77 -7.170 -9.351 -12.497 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -6.050 -9.767 -12.858 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.967 -8.797 -13.283 1.00 0.90 O ATOM 0 H GLU A 77 -7.068 -11.350 -8.868 1.00 0.39 H new ATOM 0 HA GLU A 77 -6.202 -8.654 -8.010 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -6.738 -7.768 -10.158 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -5.593 -9.074 -10.394 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.636 -10.580 -10.815 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -8.572 -9.101 -10.908 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.648 -8.012 -7.736 1.00 0.39 N ATOM 1463 CA PHE A 78 -10.010 -7.787 -7.274 1.00 0.41 C ATOM 1464 C PHE A 78 -10.468 -6.365 -7.566 1.00 0.42 C ATOM 1465 O PHE A 78 -9.649 -5.465 -7.736 1.00 0.42 O ATOM 1466 CB PHE A 78 -10.071 -8.051 -5.769 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.935 -7.418 -5.019 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.768 -8.126 -4.790 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.026 -6.117 -4.563 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.712 -7.545 -4.121 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -7.977 -5.531 -3.891 1.00 0.57 C ATOM 1472 CZ PHE A 78 -6.817 -6.247 -3.669 1.00 0.52 C ATOM 0 H PHE A 78 -8.021 -7.218 -7.606 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.676 -8.467 -7.806 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -11.015 -7.672 -5.377 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -10.061 -9.127 -5.593 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.684 -9.145 -5.139 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -9.931 -5.553 -4.736 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.805 -8.105 -3.951 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.061 -4.514 -3.538 1.00 0.57 H new ATOM 0 HZ PHE A 78 -5.993 -5.790 -3.142 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.779 -6.176 -7.636 1.00 0.46 N ATOM 1483 CA GLN A 79 -12.355 -4.846 -7.784 1.00 0.51 C ATOM 1484 C GLN A 79 -12.361 -4.145 -6.431 1.00 0.50 C ATOM 1485 O GLN A 79 -12.621 -4.779 -5.404 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.780 -4.939 -8.335 1.00 0.62 C ATOM 1487 CG GLN A 79 -14.401 -3.593 -8.669 1.00 1.00 C ATOM 1488 CD GLN A 79 -15.861 -3.715 -9.053 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -16.746 -3.643 -8.202 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -16.122 -3.906 -10.334 1.00 1.94 N ATOM 0 H GLN A 79 -12.465 -6.929 -7.593 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.752 -4.272 -8.488 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -13.772 -5.557 -9.233 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -14.409 -5.447 -7.604 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -14.308 -2.929 -7.810 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -13.849 -3.134 -9.489 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -15.358 -3.960 -11.008 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -17.088 -4.000 -10.649 1.00 1.94 H new ATOM 1499 N ASP A 80 -12.087 -2.849 -6.424 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.944 -2.116 -5.173 1.00 0.49 C ATOM 1501 C ASP A 80 -12.247 -0.635 -5.379 1.00 0.52 C ATOM 1502 O ASP A 80 -12.171 -0.131 -6.506 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.516 -2.287 -4.647 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.383 -2.004 -3.163 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.454 -2.968 -2.369 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -10.180 -0.835 -2.783 1.00 1.26 O ATOM 0 H ASP A 80 -11.960 -2.285 -7.264 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.654 -2.513 -4.447 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.183 -3.305 -4.846 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.852 -1.621 -5.197 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.580 0.050 -4.290 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.786 1.490 -4.311 1.00 0.65 C ATOM 1513 C GLU A 81 -11.519 2.155 -3.800 1.00 0.63 C ATOM 1514 O GLU A 81 -11.400 2.492 -2.619 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.986 1.884 -3.443 1.00 0.81 C ATOM 1516 CG GLU A 81 -14.325 3.365 -3.504 1.00 1.64 C ATOM 1517 CD GLU A 81 -15.371 3.763 -2.485 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -16.574 3.564 -2.750 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -14.994 4.284 -1.415 1.00 1.81 O ATOM 0 H GLU A 81 -12.714 -0.377 -3.373 1.00 0.53 H new ATOM 0 HA GLU A 81 -13.000 1.817 -5.329 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.856 1.308 -3.758 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.780 1.610 -2.408 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -13.420 3.949 -3.337 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -14.684 3.611 -4.503 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.588 2.332 -4.714 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.214 2.661 -4.384 1.00 0.67 C ATOM 1528 C ALA A 82 -9.039 4.053 -3.779 1.00 0.60 C ATOM 1529 O ALA A 82 -9.972 4.861 -3.767 1.00 0.59 O ATOM 1530 CB ALA A 82 -8.366 2.509 -5.621 1.00 0.95 C ATOM 0 H ALA A 82 -10.763 2.251 -5.716 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.893 1.966 -3.608 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -7.331 2.754 -5.385 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -8.423 1.480 -5.977 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -8.730 3.183 -6.397 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.831 4.321 -3.271 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.509 5.612 -2.664 1.00 0.58 C ATOM 1538 C LEU A 83 -7.816 6.744 -3.629 1.00 0.59 C ATOM 1539 O LEU A 83 -8.292 7.808 -3.234 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.028 5.696 -2.254 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.592 4.848 -1.047 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.570 4.999 0.110 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -5.421 3.387 -1.436 1.00 1.34 C ATOM 0 H LEU A 83 -7.058 3.655 -3.270 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.125 5.707 -1.770 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.421 5.404 -3.111 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -5.794 6.739 -2.039 1.00 0.66 H new ATOM 0 HG LEU A 83 -4.622 5.217 -0.713 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -6.237 4.389 0.950 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.613 6.044 0.416 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.561 4.672 -0.206 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -5.112 2.812 -0.563 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.367 2.997 -1.811 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.661 3.304 -2.213 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.577 6.487 -4.905 1.00 0.60 N ATOM 1556 CA ASP A 84 -7.736 7.510 -5.928 1.00 0.67 C ATOM 1557 C ASP A 84 -9.202 7.709 -6.313 1.00 0.69 C ATOM 1558 O ASP A 84 -9.509 8.279 -7.360 1.00 0.78 O ATOM 1559 CB ASP A 84 -6.873 7.204 -7.157 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.327 5.990 -7.948 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.312 4.862 -7.403 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -7.687 6.164 -9.134 1.00 1.39 O ATOM 0 H ASP A 84 -7.272 5.580 -5.258 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.387 8.450 -5.501 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -6.875 8.074 -7.814 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -5.843 7.050 -6.835 1.00 0.70 H new ATOM 1567 N SER A 85 -10.097 7.237 -5.445 1.00 0.67 N ATOM 1568 CA SER A 85 -11.526 7.530 -5.534 1.00 0.74 C ATOM 1569 C SER A 85 -12.140 7.008 -6.829 1.00 0.77 C ATOM 1570 O SER A 85 -13.053 7.618 -7.390 1.00 1.09 O ATOM 1571 CB SER A 85 -11.754 9.038 -5.396 1.00 0.84 C ATOM 1572 OG SER A 85 -11.126 9.534 -4.222 1.00 1.21 O ATOM 0 H SER A 85 -9.849 6.638 -4.657 1.00 0.67 H new ATOM 0 HA SER A 85 -12.026 7.012 -4.716 1.00 0.74 H new ATOM 0 HB2 SER A 85 -11.358 9.553 -6.272 1.00 0.84 H new ATOM 0 HB3 SER A 85 -12.823 9.248 -5.359 1.00 0.84 H new ATOM 0 HG SER A 85 -11.281 10.499 -4.151 1.00 1.21 H new ATOM 1578 N THR A 86 -11.640 5.881 -7.296 1.00 0.67 N ATOM 1579 CA THR A 86 -12.172 5.249 -8.485 1.00 0.67 C ATOM 1580 C THR A 86 -12.458 3.785 -8.217 1.00 0.66 C ATOM 1581 O THR A 86 -12.066 3.245 -7.178 1.00 0.76 O ATOM 1582 CB THR A 86 -11.191 5.352 -9.662 1.00 0.76 C ATOM 1583 OG1 THR A 86 -9.901 4.891 -9.254 1.00 0.86 O ATOM 1584 CG2 THR A 86 -11.100 6.775 -10.180 1.00 0.93 C ATOM 0 H THR A 86 -10.861 5.382 -6.866 1.00 0.67 H new ATOM 0 HA THR A 86 -13.093 5.770 -8.746 1.00 0.67 H new ATOM 0 HB THR A 86 -11.561 4.725 -10.474 1.00 0.76 H new ATOM 0 HG1 THR A 86 -9.213 5.499 -9.596 1.00 0.86 H new ATOM 0 HG21 THR A 86 -10.398 6.815 -11.013 1.00 0.93 H new ATOM 0 HG22 THR A 86 -12.083 7.103 -10.518 1.00 0.93 H new ATOM 0 HG23 THR A 86 -10.754 7.431 -9.382 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.126 3.142 -9.155 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.404 1.722 -9.055 1.00 0.76 C ATOM 1594 C GLN A 87 -12.553 1.005 -10.076 1.00 0.66 C ATOM 1595 O GLN A 87 -12.667 1.276 -11.271 1.00 0.89 O ATOM 1596 CB GLN A 87 -14.874 1.430 -9.349 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.837 2.430 -8.742 1.00 0.98 C ATOM 1598 CD GLN A 87 -15.860 2.397 -7.226 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.082 3.421 -6.578 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -15.655 1.223 -6.647 1.00 1.33 N ATOM 0 H GLN A 87 -13.488 3.584 -10.000 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.180 1.384 -8.043 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.020 1.410 -10.429 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.117 0.435 -8.976 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.565 3.432 -9.073 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -16.841 2.232 -9.118 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -15.474 0.397 -7.218 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -15.678 1.145 -5.630 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.678 0.128 -9.627 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.844 -0.611 -10.556 1.00 0.53 C ATOM 1611 C HIS A 88 -10.258 -1.857 -9.932 1.00 0.49 C ATOM 1612 O HIS A 88 -10.435 -2.108 -8.743 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.725 0.269 -11.120 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.893 0.979 -10.098 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -7.950 0.350 -9.309 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.854 2.284 -9.757 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.375 1.246 -8.526 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.904 2.427 -8.782 1.00 0.97 N ATOM 0 H HIS A 88 -11.526 -0.089 -8.642 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.494 -0.922 -11.374 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.069 -0.352 -11.730 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.169 1.012 -11.783 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.462 3.072 -10.177 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.602 1.045 -7.799 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.647 3.303 -8.328 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.546 -2.620 -10.749 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.967 -3.870 -10.314 1.00 0.49 C ATOM 1629 C LYS A 89 -7.652 -3.612 -9.597 1.00 0.45 C ATOM 1630 O LYS A 89 -6.980 -2.602 -9.839 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.761 -4.809 -11.507 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.945 -4.195 -12.631 1.00 1.06 C ATOM 1633 CD LYS A 89 -7.459 -5.237 -13.622 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.288 -6.029 -13.064 1.00 1.15 C ATOM 1635 NZ LYS A 89 -5.820 -7.073 -14.012 1.00 1.49 N ATOM 0 H LYS A 89 -9.358 -2.387 -11.724 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.653 -4.353 -9.618 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.265 -5.716 -11.163 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -9.735 -5.106 -11.897 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -8.549 -3.453 -13.153 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -7.088 -3.669 -12.210 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -8.275 -5.916 -13.868 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -7.161 -4.748 -14.549 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -5.466 -5.350 -12.838 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -6.582 -6.498 -12.125 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -5.043 -7.612 -13.579 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -6.606 -7.717 -14.235 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -5.483 -6.622 -14.887 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.309 -4.514 -8.705 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.101 -4.405 -7.916 1.00 0.35 C ATOM 1651 C ILE A 90 -5.493 -5.781 -7.719 1.00 0.34 C ATOM 1652 O ILE A 90 -6.158 -6.696 -7.238 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.378 -3.755 -6.544 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.741 -2.278 -6.724 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.177 -3.917 -5.623 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.078 -1.569 -5.436 1.00 0.54 C ATOM 0 H ILE A 90 -7.862 -5.348 -8.505 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.402 -3.766 -8.455 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.225 -4.260 -6.079 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.907 -1.765 -7.202 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.592 -2.203 -7.402 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.391 -3.452 -4.661 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.971 -4.977 -5.476 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.307 -3.437 -6.072 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.324 -0.528 -5.647 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.933 -2.055 -4.966 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.221 -1.610 -4.763 1.00 0.54 H new ATOM 1668 N THR A 91 -4.245 -5.922 -8.111 1.00 0.30 N ATOM 1669 CA THR A 91 -3.563 -7.196 -8.023 1.00 0.30 C ATOM 1670 C THR A 91 -2.464 -7.146 -6.965 1.00 0.28 C ATOM 1671 O THR A 91 -1.759 -6.145 -6.831 1.00 0.31 O ATOM 1672 CB THR A 91 -2.952 -7.570 -9.384 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.930 -7.408 -10.423 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.437 -9.003 -9.388 1.00 0.37 C ATOM 0 H THR A 91 -3.679 -5.166 -8.496 1.00 0.30 H new ATOM 0 HA THR A 91 -4.294 -7.953 -7.738 1.00 0.30 H new ATOM 0 HB THR A 91 -2.109 -6.903 -9.565 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.533 -7.646 -11.286 1.00 0.43 H new ATOM 0 HG21 THR A 91 -2.012 -9.234 -10.365 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.670 -9.116 -8.622 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.260 -9.686 -9.180 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.332 -8.229 -6.223 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.268 -8.366 -5.239 1.00 0.33 C ATOM 1684 C PHE A 92 -0.353 -9.504 -5.650 1.00 0.39 C ATOM 1685 O PHE A 92 -0.828 -10.531 -6.129 1.00 0.50 O ATOM 1686 CB PHE A 92 -1.830 -8.659 -3.850 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.068 -7.448 -2.989 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.353 -7.011 -2.725 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.005 -6.768 -2.419 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.575 -5.922 -1.907 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.219 -5.675 -1.604 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.506 -5.252 -1.345 1.00 0.52 C ATOM 0 H PHE A 92 -2.954 -9.036 -6.282 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.718 -7.426 -5.198 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -2.772 -9.197 -3.962 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.142 -9.326 -3.330 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.193 -7.528 -3.164 1.00 0.49 H new ATOM 0 HD2 PHE A 92 0.005 -7.097 -2.615 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.584 -5.594 -1.706 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -0.380 -5.152 -1.170 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.677 -4.399 -0.705 1.00 0.52 H new ATOM 1702 N ASP A 93 0.946 -9.330 -5.465 1.00 0.37 N ATOM 1703 CA ASP A 93 1.903 -10.378 -5.807 1.00 0.43 C ATOM 1704 C ASP A 93 3.261 -10.049 -5.204 1.00 0.36 C ATOM 1705 O ASP A 93 3.493 -8.922 -4.768 1.00 0.39 O ATOM 1706 CB ASP A 93 2.031 -10.516 -7.329 1.00 0.58 C ATOM 1707 CG ASP A 93 2.403 -11.925 -7.771 1.00 0.80 C ATOM 1708 OD1 ASP A 93 2.016 -12.314 -8.895 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.069 -12.651 -7.001 1.00 1.24 O ATOM 0 H ASP A 93 1.363 -8.481 -5.083 1.00 0.37 H new ATOM 0 HA ASP A 93 1.544 -11.324 -5.401 1.00 0.43 H new ATOM 0 HB2 ASP A 93 1.087 -10.233 -7.794 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.786 -9.817 -7.689 1.00 0.58 H new ATOM 1714 N LEU A 94 4.153 -11.027 -5.176 1.00 0.42 N ATOM 1715 CA LEU A 94 5.498 -10.816 -4.664 1.00 0.51 C ATOM 1716 C LEU A 94 6.482 -10.707 -5.811 1.00 0.56 C ATOM 1717 O LEU A 94 6.540 -11.580 -6.680 1.00 0.63 O ATOM 1718 CB LEU A 94 5.948 -11.948 -3.729 1.00 0.61 C ATOM 1719 CG LEU A 94 5.316 -11.969 -2.334 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.270 -12.588 -1.336 1.00 1.02 C ATOM 1721 CD2 LEU A 94 4.925 -10.576 -1.881 1.00 1.12 C ATOM 0 H LEU A 94 3.969 -11.976 -5.502 1.00 0.42 H new ATOM 0 HA LEU A 94 5.478 -9.889 -4.092 1.00 0.51 H new ATOM 0 HB2 LEU A 94 5.733 -12.899 -4.216 1.00 0.61 H new ATOM 0 HB3 LEU A 94 7.030 -11.886 -3.613 1.00 0.61 H new ATOM 0 HG LEU A 94 4.410 -12.573 -2.389 1.00 0.64 H new ATOM 0 HD11 LEU A 94 5.808 -12.597 -0.349 1.00 1.02 H new ATOM 0 HD12 LEU A 94 6.500 -13.610 -1.638 1.00 1.02 H new ATOM 0 HD13 LEU A 94 7.190 -12.004 -1.301 1.00 1.02 H new ATOM 0 HD21 LEU A 94 4.480 -10.628 -0.887 1.00 1.12 H new ATOM 0 HD22 LEU A 94 5.811 -9.942 -1.849 1.00 1.12 H new ATOM 0 HD23 LEU A 94 4.203 -10.155 -2.581 1.00 1.12 H new ATOM 1733 N LYS A 95 7.262 -9.640 -5.802 1.00 0.58 N ATOM 1734 CA LYS A 95 8.335 -9.473 -6.765 1.00 0.66 C ATOM 1735 C LYS A 95 9.532 -10.239 -6.242 1.00 0.69 C ATOM 1736 O LYS A 95 10.175 -11.012 -6.951 1.00 0.78 O ATOM 1737 CB LYS A 95 8.684 -7.989 -6.923 1.00 0.70 C ATOM 1738 CG LYS A 95 9.924 -7.738 -7.762 1.00 0.91 C ATOM 1739 CD LYS A 95 10.355 -6.283 -7.693 1.00 1.61 C ATOM 1740 CE LYS A 95 11.670 -6.059 -8.421 1.00 2.08 C ATOM 1741 NZ LYS A 95 12.737 -6.976 -7.938 1.00 3.03 N ATOM 0 H LYS A 95 7.171 -8.874 -5.135 1.00 0.58 H new ATOM 0 HA LYS A 95 8.034 -9.848 -7.743 1.00 0.66 H new ATOM 0 HB2 LYS A 95 7.838 -7.473 -7.377 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.830 -7.552 -5.935 1.00 0.70 H new ATOM 0 HG2 LYS A 95 10.736 -8.376 -7.414 1.00 0.91 H new ATOM 0 HG3 LYS A 95 9.725 -8.011 -8.798 1.00 0.91 H new ATOM 0 HD2 LYS A 95 9.582 -5.652 -8.132 1.00 1.61 H new ATOM 0 HD3 LYS A 95 10.459 -5.982 -6.651 1.00 1.61 H new ATOM 0 HE2 LYS A 95 11.522 -6.207 -9.491 1.00 2.08 H new ATOM 0 HE3 LYS A 95 11.990 -5.026 -8.283 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 13.665 -6.520 -8.053 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 12.580 -7.193 -6.933 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 12.714 -7.857 -8.490 1.00 3.03 H new ATOM 1755 N ASP A 96 9.792 -10.011 -4.969 1.00 0.65 N ATOM 1756 CA ASP A 96 10.776 -10.752 -4.213 1.00 0.70 C ATOM 1757 C ASP A 96 10.141 -11.076 -2.872 1.00 0.65 C ATOM 1758 O ASP A 96 9.118 -10.486 -2.528 1.00 0.60 O ATOM 1759 CB ASP A 96 12.047 -9.915 -3.988 1.00 0.76 C ATOM 1760 CG ASP A 96 12.613 -9.321 -5.262 1.00 1.09 C ATOM 1761 OD1 ASP A 96 12.369 -8.124 -5.530 1.00 1.03 O ATOM 1762 OD2 ASP A 96 13.311 -10.043 -6.000 1.00 1.79 O ATOM 0 H ASP A 96 9.315 -9.292 -4.424 1.00 0.65 H new ATOM 0 HA ASP A 96 11.067 -11.653 -4.753 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.823 -9.109 -3.289 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.807 -10.541 -3.520 1.00 0.76 H new ATOM 1767 N PRO A 97 10.719 -11.990 -2.084 1.00 0.73 N ATOM 1768 CA PRO A 97 10.216 -12.303 -0.743 1.00 0.76 C ATOM 1769 C PRO A 97 10.486 -11.152 0.225 1.00 0.66 C ATOM 1770 O PRO A 97 10.265 -11.257 1.431 1.00 0.73 O ATOM 1771 CB PRO A 97 11.009 -13.554 -0.337 1.00 0.91 C ATOM 1772 CG PRO A 97 11.663 -14.031 -1.592 1.00 0.98 C ATOM 1773 CD PRO A 97 11.890 -12.804 -2.420 1.00 0.87 C ATOM 0 HA PRO A 97 9.138 -12.461 -0.725 1.00 0.76 H new ATOM 0 HB2 PRO A 97 11.750 -13.319 0.428 1.00 0.91 H new ATOM 0 HB3 PRO A 97 10.352 -14.318 0.079 1.00 0.91 H new ATOM 0 HG2 PRO A 97 12.604 -14.537 -1.376 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.029 -14.746 -2.117 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.823 -12.304 -2.161 1.00 0.87 H new ATOM 0 HD3 PRO A 97 11.936 -13.033 -3.485 1.00 0.87 H new ATOM 1781 N ASN A 98 10.978 -10.056 -0.336 1.00 0.57 N ATOM 1782 CA ASN A 98 11.268 -8.847 0.412 1.00 0.55 C ATOM 1783 C ASN A 98 10.481 -7.677 -0.161 1.00 0.46 C ATOM 1784 O ASN A 98 10.716 -6.526 0.199 1.00 0.50 O ATOM 1785 CB ASN A 98 12.765 -8.529 0.354 1.00 0.68 C ATOM 1786 CG ASN A 98 13.607 -9.509 1.140 1.00 1.38 C ATOM 1787 OD1 ASN A 98 14.041 -10.538 0.617 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.854 -9.195 2.399 1.00 1.91 N ATOM 0 H ASN A 98 11.188 -9.983 -1.332 1.00 0.57 H new ATOM 0 HA ASN A 98 10.977 -9.007 1.450 1.00 0.55 H new ATOM 0 HB2 ASN A 98 13.091 -8.530 -0.686 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.933 -7.523 0.739 1.00 0.68 H new ATOM 0 HD21 ASN A 98 14.423 -9.814 2.977 1.00 1.91 H new ATOM 0 HD22 ASN A 98 13.476 -8.334 2.793 1.00 1.91 H new ATOM 1795 N THR A 99 9.555 -7.969 -1.070 1.00 0.43 N ATOM 1796 CA THR A 99 8.772 -6.921 -1.708 1.00 0.39 C ATOM 1797 C THR A 99 7.417 -7.431 -2.198 1.00 0.33 C ATOM 1798 O THR A 99 7.330 -8.200 -3.161 1.00 0.37 O ATOM 1799 CB THR A 99 9.527 -6.293 -2.897 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.802 -5.803 -2.463 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.722 -5.153 -3.501 1.00 0.51 C ATOM 0 H THR A 99 9.331 -8.915 -1.378 1.00 0.43 H new ATOM 0 HA THR A 99 8.607 -6.163 -0.942 1.00 0.39 H new ATOM 0 HB THR A 99 9.672 -7.061 -3.657 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.276 -5.407 -3.224 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.272 -4.723 -4.338 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.762 -5.532 -3.853 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.554 -4.386 -2.745 1.00 0.51 H new ATOM 1809 N LEU A 100 6.371 -6.990 -1.519 1.00 0.28 N ATOM 1810 CA LEU A 100 4.999 -7.226 -1.942 1.00 0.26 C ATOM 1811 C LEU A 100 4.581 -6.108 -2.892 1.00 0.27 C ATOM 1812 O LEU A 100 4.998 -4.981 -2.712 1.00 0.34 O ATOM 1813 CB LEU A 100 4.099 -7.252 -0.699 1.00 0.28 C ATOM 1814 CG LEU A 100 2.591 -7.181 -0.948 1.00 0.45 C ATOM 1815 CD1 LEU A 100 2.118 -8.391 -1.726 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.843 -7.071 0.369 1.00 1.10 C ATOM 0 H LEU A 100 6.449 -6.455 -0.654 1.00 0.28 H new ATOM 0 HA LEU A 100 4.909 -8.180 -2.461 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.311 -8.166 -0.143 1.00 0.28 H new ATOM 0 HB3 LEU A 100 4.379 -6.416 -0.057 1.00 0.28 H new ATOM 0 HG LEU A 100 2.383 -6.291 -1.542 1.00 0.45 H new ATOM 0 HD11 LEU A 100 1.043 -8.320 -1.892 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.631 -8.429 -2.687 1.00 1.10 H new ATOM 0 HD13 LEU A 100 2.339 -9.296 -1.160 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.771 -7.021 0.176 1.00 1.10 H new ATOM 0 HD22 LEU A 100 2.061 -7.944 0.985 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.159 -6.169 0.893 1.00 1.10 H new ATOM 1828 N THR A 101 3.793 -6.397 -3.911 1.00 0.29 N ATOM 1829 CA THR A 101 3.369 -5.353 -4.831 1.00 0.31 C ATOM 1830 C THR A 101 1.856 -5.237 -4.885 1.00 0.30 C ATOM 1831 O THR A 101 1.148 -6.246 -4.971 1.00 0.31 O ATOM 1832 CB THR A 101 3.908 -5.588 -6.255 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.697 -6.950 -6.652 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.387 -5.243 -6.333 1.00 0.41 C ATOM 0 H THR A 101 3.437 -7.329 -4.122 1.00 0.29 H new ATOM 0 HA THR A 101 3.786 -4.422 -4.447 1.00 0.31 H new ATOM 0 HB THR A 101 3.364 -4.935 -6.937 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.523 -7.499 -5.859 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.748 -5.416 -7.347 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.530 -4.195 -6.071 1.00 0.41 H new ATOM 0 HG23 THR A 101 5.944 -5.871 -5.637 1.00 0.41 H new ATOM 1842 N GLU A 102 1.373 -4.005 -4.811 1.00 0.31 N ATOM 1843 CA GLU A 102 -0.045 -3.723 -4.958 1.00 0.33 C ATOM 1844 C GLU A 102 -0.262 -2.951 -6.252 1.00 0.35 C ATOM 1845 O GLU A 102 -0.028 -1.739 -6.317 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.574 -2.922 -3.763 1.00 0.39 C ATOM 1847 CG GLU A 102 -2.092 -2.806 -3.735 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.619 -2.021 -2.544 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -1.956 -2.000 -1.492 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.720 -1.430 -2.665 1.00 0.98 O ATOM 0 H GLU A 102 1.949 -3.179 -4.649 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.594 -4.664 -4.993 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.236 -3.395 -2.841 1.00 0.39 H new ATOM 0 HB3 GLU A 102 -0.141 -1.922 -3.786 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.429 -2.326 -4.654 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.525 -3.806 -3.721 1.00 0.56 H new ATOM 1857 N THR A 103 -0.690 -3.655 -7.283 1.00 0.36 N ATOM 1858 CA THR A 103 -0.835 -3.067 -8.599 1.00 0.39 C ATOM 1859 C THR A 103 -2.273 -2.620 -8.838 1.00 0.39 C ATOM 1860 O THR A 103 -3.187 -3.439 -8.938 1.00 0.42 O ATOM 1861 CB THR A 103 -0.407 -4.068 -9.688 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.919 -4.543 -9.411 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.437 -3.425 -11.069 1.00 0.46 C ATOM 0 H THR A 103 -0.945 -4.641 -7.232 1.00 0.36 H new ATOM 0 HA THR A 103 -0.187 -2.192 -8.650 1.00 0.39 H new ATOM 0 HB THR A 103 -1.110 -4.901 -9.681 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.189 -5.181 -10.104 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.130 -4.156 -11.817 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.448 -3.083 -11.289 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.246 -2.576 -11.090 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.465 -1.314 -8.915 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.780 -0.740 -9.143 1.00 0.45 C ATOM 1873 C HIS A 104 -3.991 -0.507 -10.632 1.00 0.40 C ATOM 1874 O HIS A 104 -3.378 0.383 -11.217 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.931 0.598 -8.406 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.701 0.542 -6.927 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -3.404 1.657 -6.176 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.754 -0.488 -6.053 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -3.290 1.319 -4.911 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -3.497 0.023 -4.809 1.00 1.69 N ATOM 0 H HIS A 104 -1.718 -0.625 -8.822 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.523 -1.441 -8.763 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.232 1.314 -8.839 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.935 0.983 -8.587 1.00 0.70 H new ATOM 0 HD1 HIS A 104 -3.290 2.601 -6.545 1.00 1.17 H new ATOM 0 HD2 HIS A 104 -3.960 -1.521 -6.291 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -3.065 1.990 -4.095 1.00 1.60 H new ATOM 1889 N ILE A 105 -4.845 -1.307 -11.247 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.135 -1.143 -12.661 1.00 0.52 C ATOM 1891 C ILE A 105 -6.555 -0.647 -12.870 1.00 0.54 C ATOM 1892 O ILE A 105 -7.521 -1.286 -12.456 1.00 0.55 O ATOM 1893 CB ILE A 105 -4.928 -2.446 -13.450 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.463 -2.872 -13.377 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.376 -2.276 -14.899 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.142 -4.053 -14.255 1.00 0.75 C ATOM 0 H ILE A 105 -5.346 -2.071 -10.794 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.432 -0.401 -13.039 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.540 -3.229 -13.003 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.832 -2.031 -13.666 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.214 -3.117 -12.345 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.221 -3.210 -15.440 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.434 -2.013 -14.924 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.794 -1.483 -15.369 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.086 -4.304 -14.156 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.748 -4.907 -13.952 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.360 -3.804 -15.294 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.665 0.522 -13.468 1.00 0.59 N ATOM 1909 CA LYS A 106 -7.962 1.098 -13.785 1.00 0.63 C ATOM 1910 C LYS A 106 -8.722 0.248 -14.801 1.00 0.67 C ATOM 1911 O LYS A 106 -8.293 0.080 -15.937 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.793 2.535 -14.274 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.309 3.466 -13.174 1.00 0.81 C ATOM 1914 CD LYS A 106 -7.148 4.892 -13.659 1.00 1.05 C ATOM 1915 CE LYS A 106 -6.829 5.828 -12.505 1.00 1.47 C ATOM 1916 NZ LYS A 106 -6.651 7.228 -12.959 1.00 1.61 N ATOM 0 H LYS A 106 -5.869 1.096 -13.747 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.561 1.112 -12.875 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.083 2.554 -15.101 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.744 2.899 -14.662 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -8.016 3.444 -12.345 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.355 3.105 -12.789 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.351 4.939 -14.401 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -8.064 5.217 -14.153 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -7.633 5.785 -11.770 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -5.921 5.491 -12.005 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -6.435 7.833 -12.141 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -5.867 7.275 -13.641 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -7.526 7.559 -13.413 1.00 1.61 H new ATOM 1930 N VAL A 107 -9.843 -0.307 -14.343 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.707 -1.133 -15.180 1.00 0.78 C ATOM 1932 C VAL A 107 -11.197 -0.375 -16.414 1.00 0.86 C ATOM 1933 O VAL A 107 -11.569 -0.983 -17.419 1.00 0.92 O ATOM 1934 CB VAL A 107 -11.923 -1.664 -14.411 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.510 -2.723 -13.403 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.629 -0.522 -13.736 1.00 1.11 C ATOM 0 H VAL A 107 -10.176 -0.197 -13.385 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.093 -1.976 -15.496 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.608 -2.135 -15.115 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.391 -3.083 -12.871 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -11.035 -3.555 -13.923 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -10.807 -2.292 -12.690 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.493 -0.900 -13.190 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -11.947 -0.032 -13.041 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -12.960 0.196 -14.487 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.206 0.949 -16.325 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.624 1.791 -17.440 1.00 1.00 C ATOM 1948 C ASP A 108 -10.480 1.971 -18.429 1.00 0.97 C ATOM 1949 O ASP A 108 -10.675 1.901 -19.644 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.087 3.159 -16.937 1.00 1.05 C ATOM 1951 CG ASP A 108 -12.504 4.078 -18.068 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -11.702 4.957 -18.463 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -13.636 3.925 -18.572 1.00 2.50 O ATOM 0 H ASP A 108 -10.928 1.465 -15.490 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.456 1.298 -17.943 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -12.924 3.027 -16.252 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -11.282 3.627 -16.370 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.288 2.182 -17.898 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.110 2.403 -18.717 1.00 0.92 C ATOM 1960 C ASP A 109 -6.884 1.809 -18.044 1.00 0.84 C ATOM 1961 O ASP A 109 -6.287 2.410 -17.150 1.00 0.85 O ATOM 1962 CB ASP A 109 -7.895 3.893 -18.979 1.00 1.03 C ATOM 1963 CG ASP A 109 -6.680 4.145 -19.844 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -5.565 4.247 -19.298 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -6.833 4.239 -21.081 1.00 1.94 O ATOM 0 H ASP A 109 -9.110 2.205 -16.894 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.266 1.908 -19.675 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.778 4.307 -19.465 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -7.779 4.415 -18.029 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.509 0.604 -18.468 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.392 -0.144 -17.890 1.00 0.78 C ATOM 1972 C PRO A 110 -4.015 0.379 -18.306 1.00 0.86 C ATOM 1973 O PRO A 110 -3.015 -0.330 -18.177 1.00 0.90 O ATOM 1974 CB PRO A 110 -5.615 -1.553 -18.435 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.297 -1.340 -19.736 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.182 -0.150 -19.536 1.00 0.83 C ATOM 0 HA PRO A 110 -5.382 -0.070 -16.803 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -4.672 -2.084 -18.563 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.227 -2.149 -17.758 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -5.575 -1.162 -20.533 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -6.878 -2.217 -20.022 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.273 0.440 -20.448 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.190 -0.444 -19.245 1.00 0.83 H new ATOM 1984 N THR A 111 -3.950 1.603 -18.817 1.00 0.93 N ATOM 1985 CA THR A 111 -2.661 2.194 -19.141 1.00 1.05 C ATOM 1986 C THR A 111 -2.309 3.296 -18.148 1.00 0.94 C ATOM 1987 O THR A 111 -1.146 3.674 -18.011 1.00 0.98 O ATOM 1988 CB THR A 111 -2.609 2.743 -20.585 1.00 1.30 C ATOM 1989 OG1 THR A 111 -3.524 3.834 -20.765 1.00 1.33 O ATOM 1990 CG2 THR A 111 -2.933 1.640 -21.579 1.00 1.47 C ATOM 0 H THR A 111 -4.758 2.194 -19.012 1.00 0.93 H new ATOM 0 HA THR A 111 -1.922 1.396 -19.070 1.00 1.05 H new ATOM 0 HB THR A 111 -1.598 3.110 -20.762 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.100 3.911 -19.976 1.00 1.33 H new ATOM 0 HG21 THR A 111 -2.893 2.040 -22.592 1.00 1.47 H new ATOM 0 HG22 THR A 111 -2.206 0.834 -21.478 1.00 1.47 H new ATOM 0 HG23 THR A 111 -3.933 1.254 -21.381 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.315 3.782 -17.429 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.109 4.816 -16.417 1.00 0.86 C ATOM 2000 C ASP A 112 -3.046 4.159 -15.039 1.00 0.79 C ATOM 2001 O ASP A 112 -3.671 4.600 -14.075 1.00 1.18 O ATOM 2002 CB ASP A 112 -4.248 5.841 -16.482 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.981 7.092 -15.669 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -4.695 7.325 -14.674 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -3.077 7.868 -16.037 1.00 1.40 O ATOM 0 H ASP A 112 -4.283 3.477 -17.527 1.00 0.86 H new ATOM 0 HA ASP A 112 -2.171 5.339 -16.603 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.415 6.122 -17.522 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -5.167 5.375 -16.126 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.315 3.050 -14.997 1.00 0.66 N ATOM 2011 CA VAL A 113 -2.148 2.250 -13.793 1.00 0.68 C ATOM 2012 C VAL A 113 -1.409 2.973 -12.672 1.00 0.60 C ATOM 2013 O VAL A 113 -1.114 4.163 -12.750 1.00 0.79 O ATOM 2014 CB VAL A 113 -1.390 0.949 -14.111 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -2.224 0.053 -15.000 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.045 1.249 -14.758 1.00 1.23 C ATOM 0 H VAL A 113 -1.818 2.679 -15.807 1.00 0.66 H new ATOM 0 HA VAL A 113 -3.159 2.041 -13.443 1.00 0.68 H new ATOM 0 HB VAL A 113 -1.203 0.425 -13.173 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -1.672 -0.862 -15.215 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -3.157 -0.196 -14.494 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.445 0.571 -15.933 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.472 0.314 -14.973 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -0.202 1.799 -15.686 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.560 1.850 -14.079 1.00 1.23 H new ATOM 2026 N GLU A 114 -1.121 2.215 -11.628 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.420 2.708 -10.455 1.00 0.47 C ATOM 2028 C GLU A 114 0.061 1.514 -9.642 1.00 0.44 C ATOM 2029 O GLU A 114 -0.622 0.494 -9.584 1.00 0.48 O ATOM 2030 CB GLU A 114 -1.358 3.577 -9.618 1.00 0.64 C ATOM 2031 CG GLU A 114 -0.790 3.988 -8.274 1.00 0.96 C ATOM 2032 CD GLU A 114 -1.835 4.629 -7.392 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -2.844 3.963 -7.091 1.00 2.78 O ATOM 2034 OE2 GLU A 114 -1.647 5.793 -6.990 1.00 2.10 O ATOM 0 H GLU A 114 -1.371 1.228 -11.570 1.00 0.45 H new ATOM 0 HA GLU A 114 0.434 3.315 -10.755 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.606 4.474 -10.185 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -2.289 3.035 -9.456 1.00 0.64 H new ATOM 0 HG2 GLU A 114 -0.378 3.113 -7.771 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.034 4.685 -8.426 1.00 0.96 H new ATOM 2041 N THR A 115 1.236 1.601 -9.042 1.00 0.45 N ATOM 2042 CA THR A 115 1.746 0.483 -8.263 1.00 0.45 C ATOM 2043 C THR A 115 2.527 0.944 -7.035 1.00 0.44 C ATOM 2044 O THR A 115 3.393 1.815 -7.120 1.00 0.51 O ATOM 2045 CB THR A 115 2.628 -0.441 -9.132 1.00 0.49 C ATOM 2046 OG1 THR A 115 1.884 -0.864 -10.282 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.090 -1.665 -8.348 1.00 0.53 C ATOM 0 H THR A 115 1.846 2.418 -9.077 1.00 0.45 H new ATOM 0 HA THR A 115 0.878 -0.077 -7.915 1.00 0.45 H new ATOM 0 HB THR A 115 3.511 0.119 -9.440 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.442 -1.449 -10.836 1.00 0.53 H new ATOM 0 HG21 THR A 115 3.708 -2.295 -8.988 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.671 -1.345 -7.483 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.221 -2.231 -8.012 1.00 0.53 H new ATOM 2055 N TYR A 116 2.191 0.347 -5.900 1.00 0.41 N ATOM 2056 CA TYR A 116 2.936 0.537 -4.664 1.00 0.43 C ATOM 2057 C TYR A 116 3.628 -0.781 -4.361 1.00 0.38 C ATOM 2058 O TYR A 116 3.201 -1.816 -4.879 1.00 0.39 O ATOM 2059 CB TYR A 116 2.014 0.896 -3.488 1.00 0.54 C ATOM 2060 CG TYR A 116 1.050 2.043 -3.728 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.342 3.073 -4.613 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.158 2.094 -3.043 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.456 4.116 -4.810 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.048 3.133 -3.235 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.738 4.142 -4.120 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.624 5.179 -4.312 1.00 0.96 O ATOM 0 H TYR A 116 1.394 -0.283 -5.810 1.00 0.41 H new ATOM 0 HA TYR A 116 3.641 1.359 -4.788 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.436 0.011 -3.221 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.635 1.143 -2.627 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.276 3.059 -5.156 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.406 1.306 -2.347 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.698 4.909 -5.503 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.982 3.154 -2.694 1.00 0.91 H new ATOM 0 HH TYR A 116 -1.469 5.584 -5.191 1.00 0.96 H new ATOM 2076 N GLU A 117 4.662 -0.792 -3.536 1.00 0.37 N ATOM 2077 CA GLU A 117 5.292 -2.047 -3.169 1.00 0.35 C ATOM 2078 C GLU A 117 5.728 -1.989 -1.709 1.00 0.34 C ATOM 2079 O GLU A 117 6.226 -0.964 -1.237 1.00 0.44 O ATOM 2080 CB GLU A 117 6.470 -2.377 -4.095 1.00 0.44 C ATOM 2081 CG GLU A 117 7.603 -1.370 -4.053 1.00 0.92 C ATOM 2082 CD GLU A 117 8.685 -1.670 -5.071 1.00 0.83 C ATOM 2083 OE1 GLU A 117 9.737 -2.219 -4.689 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.492 -1.343 -6.261 1.00 1.18 O ATOM 0 H GLU A 117 5.077 0.039 -3.114 1.00 0.37 H new ATOM 0 HA GLU A 117 4.567 -2.852 -3.287 1.00 0.35 H new ATOM 0 HB2 GLU A 117 6.862 -3.358 -3.828 1.00 0.44 H new ATOM 0 HB3 GLU A 117 6.102 -2.449 -5.119 1.00 0.44 H new ATOM 0 HG2 GLU A 117 7.204 -0.372 -4.235 1.00 0.92 H new ATOM 0 HG3 GLU A 117 8.040 -1.362 -3.055 1.00 0.92 H new ATOM 2091 N TYR A 118 5.501 -3.080 -1.000 1.00 0.29 N ATOM 2092 CA TYR A 118 5.718 -3.148 0.431 1.00 0.29 C ATOM 2093 C TYR A 118 6.952 -3.977 0.762 1.00 0.31 C ATOM 2094 O TYR A 118 6.996 -5.180 0.503 1.00 0.41 O ATOM 2095 CB TYR A 118 4.479 -3.745 1.108 1.00 0.32 C ATOM 2096 CG TYR A 118 3.215 -2.963 0.827 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.998 -1.743 1.442 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.245 -3.431 -0.057 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.863 -1.012 1.190 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.108 -2.703 -0.308 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.925 -1.497 0.318 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.194 -0.769 0.049 1.00 0.60 O ATOM 0 H TYR A 118 5.158 -3.950 -1.406 1.00 0.29 H new ATOM 0 HA TYR A 118 5.886 -2.138 0.805 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.347 -4.772 0.769 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.644 -3.783 2.185 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.734 -1.359 2.132 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.389 -4.380 -0.552 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.711 -0.060 1.677 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.363 -3.078 -0.994 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.778 -1.277 -0.553 1.00 0.60 H new ATOM 2112 N ARG A 119 7.951 -3.319 1.324 1.00 0.31 N ATOM 2113 CA ARG A 119 9.173 -3.983 1.747 1.00 0.35 C ATOM 2114 C ARG A 119 9.412 -3.725 3.231 1.00 0.35 C ATOM 2115 O ARG A 119 9.001 -2.696 3.761 1.00 0.42 O ATOM 2116 CB ARG A 119 10.366 -3.506 0.907 1.00 0.46 C ATOM 2117 CG ARG A 119 10.616 -2.009 0.968 1.00 1.14 C ATOM 2118 CD ARG A 119 11.653 -1.578 -0.056 1.00 1.30 C ATOM 2119 NE ARG A 119 11.894 -0.136 -0.020 1.00 1.83 N ATOM 2120 CZ ARG A 119 12.307 0.577 -1.068 1.00 2.50 C ATOM 2121 NH1 ARG A 119 12.532 -0.013 -2.237 1.00 2.76 N ATOM 2122 NH2 ARG A 119 12.494 1.884 -0.949 1.00 3.41 N ATOM 0 H ARG A 119 7.939 -2.314 1.500 1.00 0.31 H new ATOM 0 HA ARG A 119 9.066 -5.057 1.592 1.00 0.35 H new ATOM 0 HB2 ARG A 119 11.263 -4.026 1.243 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.202 -3.793 -0.132 1.00 0.46 H new ATOM 0 HG2 ARG A 119 9.683 -1.475 0.790 1.00 1.14 H new ATOM 0 HG3 ARG A 119 10.954 -1.735 1.968 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.588 -2.106 0.131 1.00 1.30 H new ATOM 0 HD3 ARG A 119 11.319 -1.865 -1.053 1.00 1.30 H new ATOM 0 HE ARG A 119 11.737 0.354 0.861 1.00 1.83 H new ATOM 0 HH11 ARG A 119 12.389 -1.018 -2.337 1.00 2.76 H new ATOM 0 HH12 ARG A 119 12.848 0.539 -3.034 1.00 2.76 H new ATOM 0 HH21 ARG A 119 12.322 2.345 -0.055 1.00 3.41 H new ATOM 0 HH22 ARG A 119 12.810 2.429 -1.751 1.00 3.41 H new ATOM 2136 N ARG A 120 10.058 -4.661 3.904 1.00 0.36 N ATOM 2137 CA ARG A 120 10.251 -4.553 5.343 1.00 0.41 C ATOM 2138 C ARG A 120 11.680 -4.134 5.668 1.00 0.46 C ATOM 2139 O ARG A 120 12.638 -4.823 5.309 1.00 0.63 O ATOM 2140 CB ARG A 120 9.934 -5.884 6.026 1.00 0.49 C ATOM 2141 CG ARG A 120 10.076 -5.845 7.539 1.00 1.06 C ATOM 2142 CD ARG A 120 8.911 -5.131 8.210 1.00 0.97 C ATOM 2143 NE ARG A 120 9.078 -5.098 9.663 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.098 -5.302 10.546 1.00 1.56 C ATOM 2145 NH1 ARG A 120 6.861 -5.549 10.138 1.00 1.62 N ATOM 2146 NH2 ARG A 120 8.366 -5.287 11.844 1.00 1.96 N ATOM 0 H ARG A 120 10.456 -5.500 3.482 1.00 0.36 H new ATOM 0 HA ARG A 120 9.569 -3.789 5.718 1.00 0.41 H new ATOM 0 HB2 ARG A 120 8.915 -6.178 5.773 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.596 -6.653 5.628 1.00 0.49 H new ATOM 0 HG2 ARG A 120 10.144 -6.863 7.922 1.00 1.06 H new ATOM 0 HG3 ARG A 120 11.007 -5.343 7.802 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.835 -4.113 7.827 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.978 -5.636 7.960 1.00 0.97 H new ATOM 0 HE ARG A 120 10.011 -4.905 10.028 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.651 -5.585 9.141 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.120 -5.703 10.822 1.00 1.62 H new ATOM 0 HH21 ARG A 120 9.319 -5.120 12.166 1.00 1.96 H new ATOM 0 HH22 ARG A 120 7.619 -5.443 12.521 1.00 1.96 H new ATOM 2160 N ASP A 121 11.816 -3.005 6.341 1.00 0.49 N ATOM 2161 CA ASP A 121 13.118 -2.528 6.775 1.00 0.59 C ATOM 2162 C ASP A 121 13.159 -2.469 8.294 1.00 0.66 C ATOM 2163 O ASP A 121 12.736 -1.485 8.903 1.00 1.08 O ATOM 2164 CB ASP A 121 13.415 -1.154 6.172 1.00 0.67 C ATOM 2165 CG ASP A 121 14.820 -0.675 6.477 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.754 -1.045 5.732 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.001 0.086 7.449 1.00 0.88 O ATOM 0 H ASP A 121 11.037 -2.399 6.600 1.00 0.49 H new ATOM 0 HA ASP A 121 13.885 -3.220 6.427 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.277 -1.198 5.092 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.697 -0.430 6.556 1.00 0.67 H new ATOM 2172 N GLY A 122 13.644 -3.541 8.904 1.00 0.73 N ATOM 2173 CA GLY A 122 13.669 -3.625 10.348 1.00 0.83 C ATOM 2174 C GLY A 122 12.272 -3.695 10.928 1.00 0.78 C ATOM 2175 O GLY A 122 11.543 -4.658 10.687 1.00 0.92 O ATOM 0 H GLY A 122 14.022 -4.356 8.422 1.00 0.73 H new ATOM 0 HA2 GLY A 122 14.234 -4.506 10.652 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.189 -2.757 10.754 1.00 0.83 H new ATOM 2179 N ASP A 123 11.889 -2.669 11.673 1.00 0.70 N ATOM 2180 CA ASP A 123 10.548 -2.603 12.248 1.00 0.78 C ATOM 2181 C ASP A 123 9.654 -1.704 11.410 1.00 0.64 C ATOM 2182 O ASP A 123 8.503 -1.445 11.764 1.00 0.75 O ATOM 2183 CB ASP A 123 10.582 -2.066 13.685 1.00 0.98 C ATOM 2184 CG ASP A 123 11.324 -2.968 14.647 1.00 1.67 C ATOM 2185 OD1 ASP A 123 10.824 -4.073 14.949 1.00 2.17 O ATOM 2186 OD2 ASP A 123 12.401 -2.560 15.130 1.00 2.31 O ATOM 0 H ASP A 123 12.484 -1.871 11.895 1.00 0.70 H new ATOM 0 HA ASP A 123 10.150 -3.618 12.258 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.051 -1.082 13.686 1.00 0.98 H new ATOM 0 HB3 ASP A 123 9.560 -1.932 14.039 1.00 0.98 H new ATOM 2191 N TYR A 124 10.187 -1.218 10.302 1.00 0.48 N ATOM 2192 CA TYR A 124 9.464 -0.274 9.471 1.00 0.36 C ATOM 2193 C TYR A 124 8.985 -0.917 8.184 1.00 0.33 C ATOM 2194 O TYR A 124 9.740 -1.604 7.494 1.00 0.39 O ATOM 2195 CB TYR A 124 10.339 0.943 9.167 1.00 0.32 C ATOM 2196 CG TYR A 124 10.564 1.815 10.379 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.571 1.527 11.287 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.752 2.911 10.625 1.00 0.49 C ATOM 2199 CE1 TYR A 124 11.762 2.308 12.408 1.00 0.53 C ATOM 2200 CE2 TYR A 124 9.937 3.699 11.743 1.00 0.58 C ATOM 2201 CZ TYR A 124 10.943 3.393 12.632 1.00 0.56 C ATOM 2202 OH TYR A 124 11.131 4.172 13.748 1.00 0.67 O ATOM 0 H TYR A 124 11.116 -1.462 9.959 1.00 0.48 H new ATOM 0 HA TYR A 124 8.583 0.052 10.025 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.302 0.606 8.783 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.871 1.535 8.380 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.216 0.678 11.114 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.961 3.152 9.930 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.550 2.070 13.107 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.297 4.551 11.919 1.00 0.58 H new ATOM 0 HH TYR A 124 10.471 4.896 13.756 1.00 0.67 H new ATOM 2212 N LEU A 125 7.717 -0.706 7.883 1.00 0.30 N ATOM 2213 CA LEU A 125 7.136 -1.125 6.627 1.00 0.30 C ATOM 2214 C LEU A 125 7.375 -0.008 5.616 1.00 0.27 C ATOM 2215 O LEU A 125 6.838 1.089 5.752 1.00 0.31 O ATOM 2216 CB LEU A 125 5.634 -1.396 6.844 1.00 0.36 C ATOM 2217 CG LEU A 125 4.860 -2.112 5.721 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.520 -1.167 4.580 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.642 -3.309 5.201 1.00 0.88 C ATOM 0 H LEU A 125 7.061 -0.237 8.507 1.00 0.30 H new ATOM 0 HA LEU A 125 7.587 -2.043 6.251 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.529 -1.989 7.753 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.145 -0.440 7.029 1.00 0.36 H new ATOM 0 HG LEU A 125 3.923 -2.466 6.151 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.974 -1.710 3.808 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.902 -0.351 4.955 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.439 -0.761 4.157 1.00 1.03 H new ATOM 0 HD21 LEU A 125 5.075 -3.798 4.409 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.601 -2.973 4.806 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.811 -4.014 6.015 1.00 0.88 H new ATOM 2231 N VAL A 126 8.180 -0.278 4.613 1.00 0.29 N ATOM 2232 CA VAL A 126 8.613 0.766 3.706 1.00 0.34 C ATOM 2233 C VAL A 126 8.003 0.540 2.339 1.00 0.36 C ATOM 2234 O VAL A 126 7.981 -0.581 1.834 1.00 0.43 O ATOM 2235 CB VAL A 126 10.153 0.834 3.590 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.577 1.972 2.671 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.787 0.995 4.964 1.00 0.47 C ATOM 0 H VAL A 126 8.548 -1.206 4.404 1.00 0.29 H new ATOM 0 HA VAL A 126 8.273 1.719 4.112 1.00 0.34 H new ATOM 0 HB VAL A 126 10.502 -0.103 3.156 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.665 2.000 2.605 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.157 1.813 1.678 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.213 2.918 3.072 1.00 0.46 H new ATOM 0 HG21 VAL A 126 11.871 1.041 4.861 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.427 1.915 5.425 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.518 0.145 5.591 1.00 0.47 H new ATOM 2247 N MET A 127 7.486 1.597 1.755 1.00 0.38 N ATOM 2248 CA MET A 127 6.837 1.491 0.469 1.00 0.46 C ATOM 2249 C MET A 127 7.644 2.171 -0.603 1.00 0.33 C ATOM 2250 O MET A 127 8.407 3.094 -0.333 1.00 0.33 O ATOM 2251 CB MET A 127 5.445 2.097 0.515 1.00 0.65 C ATOM 2252 CG MET A 127 4.493 1.313 1.384 1.00 0.87 C ATOM 2253 SD MET A 127 2.904 2.130 1.583 1.00 1.08 S ATOM 2254 CE MET A 127 2.305 2.127 -0.104 1.00 0.66 C ATOM 0 H MET A 127 7.502 2.538 2.149 1.00 0.38 H new ATOM 0 HA MET A 127 6.757 0.430 0.230 1.00 0.46 H new ATOM 0 HB2 MET A 127 5.511 3.119 0.887 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.044 2.152 -0.497 1.00 0.65 H new ATOM 0 HG2 MET A 127 4.338 0.326 0.948 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.944 1.160 2.365 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.317 2.586 -0.140 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.991 2.692 -0.735 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.241 1.101 -0.466 1.00 0.66 H new ATOM 2264 N LYS A 128 7.469 1.702 -1.813 1.00 0.33 N ATOM 2265 CA LYS A 128 8.068 2.322 -2.972 1.00 0.35 C ATOM 2266 C LYS A 128 7.025 2.436 -4.070 1.00 0.35 C ATOM 2267 O LYS A 128 6.259 1.501 -4.316 1.00 0.44 O ATOM 2268 CB LYS A 128 9.282 1.523 -3.463 1.00 0.55 C ATOM 2269 CG LYS A 128 9.748 1.908 -4.861 1.00 0.82 C ATOM 2270 CD LYS A 128 10.873 1.008 -5.346 1.00 0.99 C ATOM 2271 CE LYS A 128 11.043 1.084 -6.857 1.00 1.42 C ATOM 2272 NZ LYS A 128 9.834 0.600 -7.580 1.00 2.20 N ATOM 0 H LYS A 128 6.906 0.878 -2.024 1.00 0.33 H new ATOM 0 HA LYS A 128 8.420 3.317 -2.698 1.00 0.35 H new ATOM 0 HB2 LYS A 128 10.106 1.666 -2.764 1.00 0.55 H new ATOM 0 HB3 LYS A 128 9.035 0.461 -3.452 1.00 0.55 H new ATOM 0 HG2 LYS A 128 8.909 1.847 -5.554 1.00 0.82 H new ATOM 0 HG3 LYS A 128 10.086 2.944 -4.860 1.00 0.82 H new ATOM 0 HD2 LYS A 128 11.805 1.296 -4.860 1.00 0.99 H new ATOM 0 HD3 LYS A 128 10.667 -0.022 -5.054 1.00 0.99 H new ATOM 0 HE2 LYS A 128 11.251 2.114 -7.147 1.00 1.42 H new ATOM 0 HE3 LYS A 128 11.906 0.489 -7.155 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 10.112 -0.118 -8.280 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 9.168 0.181 -6.900 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 9.377 1.398 -8.066 1.00 2.20 H new ATOM 2286 N MET A 129 6.977 3.594 -4.688 1.00 0.36 N ATOM 2287 CA MET A 129 6.083 3.847 -5.801 1.00 0.41 C ATOM 2288 C MET A 129 6.809 4.722 -6.811 1.00 0.35 C ATOM 2289 O MET A 129 7.422 5.723 -6.439 1.00 0.40 O ATOM 2290 CB MET A 129 4.786 4.498 -5.297 1.00 0.49 C ATOM 2291 CG MET A 129 5.022 5.592 -4.271 1.00 1.02 C ATOM 2292 SD MET A 129 3.571 5.980 -3.270 1.00 1.11 S ATOM 2293 CE MET A 129 2.519 6.794 -4.467 1.00 0.50 C ATOM 0 H MET A 129 7.559 4.392 -4.434 1.00 0.36 H new ATOM 0 HA MET A 129 5.801 2.914 -6.289 1.00 0.41 H new ATOM 0 HB2 MET A 129 4.244 4.916 -6.145 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.149 3.730 -4.859 1.00 0.49 H new ATOM 0 HG2 MET A 129 5.836 5.289 -3.612 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.348 6.496 -4.786 1.00 1.02 H new ATOM 0 HE1 MET A 129 1.506 6.867 -4.071 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.903 7.794 -4.668 1.00 0.50 H new ATOM 0 HE3 MET A 129 2.506 6.217 -5.392 1.00 0.50 H new ATOM 2303 N SER A 130 6.784 4.324 -8.072 1.00 0.34 N ATOM 2304 CA SER A 130 7.578 4.987 -9.091 1.00 0.33 C ATOM 2305 C SER A 130 6.751 5.324 -10.327 1.00 0.33 C ATOM 2306 O SER A 130 6.109 4.455 -10.922 1.00 0.38 O ATOM 2307 CB SER A 130 8.776 4.109 -9.454 1.00 0.39 C ATOM 2308 OG SER A 130 8.488 2.735 -9.223 1.00 1.06 O ATOM 0 H SER A 130 6.222 3.545 -8.414 1.00 0.34 H new ATOM 0 HA SER A 130 7.935 5.934 -8.686 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.037 4.259 -10.502 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.642 4.407 -8.864 1.00 0.39 H new ATOM 0 HG SER A 130 7.630 2.507 -9.637 1.00 1.06 H new ATOM 2314 N TRP A 131 6.770 6.598 -10.697 1.00 0.32 N ATOM 2315 CA TRP A 131 6.034 7.082 -11.852 1.00 0.34 C ATOM 2316 C TRP A 131 6.920 8.002 -12.673 1.00 0.34 C ATOM 2317 O TRP A 131 7.479 8.965 -12.148 1.00 0.33 O ATOM 2318 CB TRP A 131 4.771 7.819 -11.393 1.00 0.36 C ATOM 2319 CG TRP A 131 3.764 8.040 -12.479 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.508 9.205 -13.140 1.00 0.46 C ATOM 2321 CD2 TRP A 131 2.873 7.064 -13.029 1.00 0.47 C ATOM 2322 NE1 TRP A 131 2.508 9.015 -14.062 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.105 7.706 -14.017 1.00 0.54 C ATOM 2324 CE3 TRP A 131 2.653 5.708 -12.780 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.133 7.037 -14.756 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 1.690 5.045 -13.514 1.00 0.73 C ATOM 2327 CH2 TRP A 131 0.940 5.710 -14.494 1.00 0.76 C ATOM 0 H TRP A 131 7.295 7.321 -10.205 1.00 0.32 H new ATOM 0 HA TRP A 131 5.736 6.237 -12.473 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.304 7.251 -10.589 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.058 8.784 -10.976 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.017 10.141 -12.964 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.127 9.732 -14.680 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.226 5.187 -12.027 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 0.552 7.549 -15.509 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 1.511 3.996 -13.330 1.00 0.73 H new ATOM 0 HH2 TRP A 131 0.195 5.163 -15.053 1.00 0.76 H new ATOM 2338 N LYS A 132 7.047 7.690 -13.960 1.00 0.37 N ATOM 2339 CA LYS A 132 7.898 8.445 -14.874 1.00 0.40 C ATOM 2340 C LYS A 132 9.321 8.584 -14.335 1.00 0.39 C ATOM 2341 O LYS A 132 9.916 9.662 -14.382 1.00 0.42 O ATOM 2342 CB LYS A 132 7.293 9.825 -15.151 1.00 0.44 C ATOM 2343 CG LYS A 132 5.922 9.762 -15.801 1.00 0.68 C ATOM 2344 CD LYS A 132 5.309 11.143 -15.941 1.00 1.22 C ATOM 2345 CE LYS A 132 3.925 11.071 -16.563 1.00 1.43 C ATOM 2346 NZ LYS A 132 3.216 12.373 -16.487 1.00 1.96 N ATOM 0 H LYS A 132 6.563 6.907 -14.398 1.00 0.37 H new ATOM 0 HA LYS A 132 7.953 7.889 -15.810 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.218 10.376 -14.213 1.00 0.44 H new ATOM 0 HB3 LYS A 132 7.968 10.387 -15.797 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.005 9.298 -16.784 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.264 9.130 -15.205 1.00 0.68 H new ATOM 0 HD2 LYS A 132 5.246 11.616 -14.961 1.00 1.22 H new ATOM 0 HD3 LYS A 132 5.955 11.769 -16.556 1.00 1.22 H new ATOM 0 HE2 LYS A 132 4.011 10.765 -17.606 1.00 1.43 H new ATOM 0 HE3 LYS A 132 3.337 10.307 -16.054 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 2.251 12.265 -16.860 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 3.171 12.686 -15.496 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 3.728 13.081 -17.051 1.00 1.96 H new ATOM 2360 N GLY A 133 9.859 7.487 -13.820 1.00 0.40 N ATOM 2361 CA GLY A 133 11.209 7.497 -13.286 1.00 0.42 C ATOM 2362 C GLY A 133 11.269 7.952 -11.838 1.00 0.40 C ATOM 2363 O GLY A 133 12.126 7.502 -11.075 1.00 0.53 O ATOM 0 H GLY A 133 9.384 6.586 -13.762 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.633 6.496 -13.365 1.00 0.42 H new ATOM 0 HA3 GLY A 133 11.830 8.155 -13.894 1.00 0.42 H new ATOM 2367 N VAL A 134 10.349 8.825 -11.453 1.00 0.35 N ATOM 2368 CA VAL A 134 10.351 9.380 -10.109 1.00 0.34 C ATOM 2369 C VAL A 134 9.847 8.352 -9.109 1.00 0.36 C ATOM 2370 O VAL A 134 8.656 8.044 -9.062 1.00 0.40 O ATOM 2371 CB VAL A 134 9.490 10.654 -9.994 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.672 11.287 -8.623 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.834 11.642 -11.096 1.00 0.43 C ATOM 0 H VAL A 134 9.595 9.163 -12.051 1.00 0.35 H new ATOM 0 HA VAL A 134 11.384 9.648 -9.887 1.00 0.34 H new ATOM 0 HB VAL A 134 8.443 10.376 -10.112 1.00 0.38 H new ATOM 0 HG11 VAL A 134 9.059 12.186 -8.553 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.367 10.579 -7.852 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.720 11.550 -8.480 1.00 0.38 H new ATOM 0 HG21 VAL A 134 9.213 12.532 -10.993 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.885 11.921 -11.019 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.651 11.182 -12.067 1.00 0.43 H new ATOM 2383 N SER A 135 10.765 7.797 -8.338 1.00 0.38 N ATOM 2384 CA SER A 135 10.423 6.844 -7.322 1.00 0.42 C ATOM 2385 C SER A 135 10.441 7.502 -5.953 1.00 0.40 C ATOM 2386 O SER A 135 11.332 8.291 -5.640 1.00 0.51 O ATOM 2387 CB SER A 135 11.423 5.710 -7.351 1.00 0.50 C ATOM 2388 OG SER A 135 11.893 5.481 -8.669 1.00 1.14 O ATOM 0 H SER A 135 11.762 8.000 -8.406 1.00 0.38 H new ATOM 0 HA SER A 135 9.420 6.462 -7.513 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.263 5.944 -6.697 1.00 0.50 H new ATOM 0 HB3 SER A 135 10.960 4.802 -6.963 1.00 0.50 H new ATOM 0 HG SER A 135 12.540 4.745 -8.662 1.00 1.14 H new ATOM 2394 N THR A 136 9.464 7.168 -5.149 1.00 0.35 N ATOM 2395 CA THR A 136 9.371 7.694 -3.803 1.00 0.34 C ATOM 2396 C THR A 136 9.170 6.562 -2.810 1.00 0.31 C ATOM 2397 O THR A 136 8.492 5.574 -3.105 1.00 0.34 O ATOM 2398 CB THR A 136 8.234 8.733 -3.673 1.00 0.38 C ATOM 2399 OG1 THR A 136 8.057 9.115 -2.305 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.929 8.189 -4.212 1.00 0.39 C ATOM 0 H THR A 136 8.712 6.527 -5.403 1.00 0.35 H new ATOM 0 HA THR A 136 10.309 8.203 -3.579 1.00 0.34 H new ATOM 0 HB THR A 136 8.520 9.605 -4.261 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.847 9.606 -1.998 1.00 0.40 H new ATOM 0 HG21 THR A 136 6.149 8.943 -4.106 1.00 0.39 H new ATOM 0 HG22 THR A 136 7.048 7.935 -5.265 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.648 7.296 -3.653 1.00 0.39 H new ATOM 2408 N SER A 137 9.796 6.694 -1.654 1.00 0.33 N ATOM 2409 CA SER A 137 9.671 5.708 -0.602 1.00 0.32 C ATOM 2410 C SER A 137 8.975 6.318 0.607 1.00 0.31 C ATOM 2411 O SER A 137 9.463 7.284 1.194 1.00 0.40 O ATOM 2412 CB SER A 137 11.053 5.184 -0.210 1.00 0.39 C ATOM 2413 OG SER A 137 11.761 4.726 -1.350 1.00 0.79 O ATOM 0 H SER A 137 10.400 7.482 -1.422 1.00 0.33 H new ATOM 0 HA SER A 137 9.070 4.875 -0.967 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.620 5.974 0.282 1.00 0.39 H new ATOM 0 HB3 SER A 137 10.948 4.371 0.509 1.00 0.39 H new ATOM 0 HG SER A 137 12.693 4.547 -1.106 1.00 0.79 H new ATOM 2419 N ARG A 138 7.820 5.775 0.961 1.00 0.35 N ATOM 2420 CA ARG A 138 7.104 6.238 2.135 1.00 0.44 C ATOM 2421 C ARG A 138 7.473 5.369 3.326 1.00 0.39 C ATOM 2422 O ARG A 138 7.616 4.153 3.193 1.00 0.43 O ATOM 2423 CB ARG A 138 5.590 6.221 1.911 1.00 0.63 C ATOM 2424 CG ARG A 138 5.143 6.999 0.683 1.00 1.08 C ATOM 2425 CD ARG A 138 3.645 7.262 0.702 1.00 0.88 C ATOM 2426 NE ARG A 138 3.288 8.351 1.617 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.060 8.546 2.103 1.00 1.07 C ATOM 2428 NH1 ARG A 138 1.097 7.673 1.856 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.802 9.611 2.858 1.00 1.63 N ATOM 0 H ARG A 138 7.362 5.018 0.454 1.00 0.35 H new ATOM 0 HA ARG A 138 7.393 7.270 2.332 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.258 5.187 1.816 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.097 6.634 2.791 1.00 0.63 H new ATOM 0 HG2 ARG A 138 5.679 7.947 0.637 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.404 6.442 -0.217 1.00 1.08 H new ATOM 0 HD2 ARG A 138 3.308 7.510 -0.305 1.00 0.88 H new ATOM 0 HD3 ARG A 138 3.121 6.353 0.999 1.00 0.88 H new ATOM 0 HE ARG A 138 4.023 8.999 1.899 1.00 0.82 H new ATOM 0 HH11 ARG A 138 1.291 6.846 1.292 1.00 1.84 H new ATOM 0 HH12 ARG A 138 0.161 7.827 2.230 1.00 1.84 H new ATOM 0 HH21 ARG A 138 2.543 10.280 3.066 1.00 1.63 H new ATOM 0 HH22 ARG A 138 0.863 9.758 3.228 1.00 1.63 H new ATOM 2443 N TYR A 139 7.635 5.991 4.481 1.00 0.39 N ATOM 2444 CA TYR A 139 8.102 5.283 5.659 1.00 0.36 C ATOM 2445 C TYR A 139 6.976 5.045 6.647 1.00 0.34 C ATOM 2446 O TYR A 139 6.463 5.979 7.273 1.00 0.39 O ATOM 2447 CB TYR A 139 9.238 6.050 6.335 1.00 0.42 C ATOM 2448 CG TYR A 139 10.511 6.081 5.522 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.761 7.099 4.610 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.465 5.083 5.668 1.00 0.50 C ATOM 2451 CE1 TYR A 139 11.926 7.120 3.867 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.631 5.098 4.931 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.859 6.117 4.032 1.00 0.56 C ATOM 2454 OH TYR A 139 14.023 6.134 3.298 1.00 0.64 O ATOM 0 H TYR A 139 7.450 6.983 4.628 1.00 0.39 H new ATOM 0 HA TYR A 139 8.476 4.313 5.330 1.00 0.36 H new ATOM 0 HB2 TYR A 139 8.913 7.073 6.525 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.446 5.596 7.304 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.033 7.886 4.480 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.291 4.281 6.370 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.105 7.917 3.161 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.363 4.314 5.058 1.00 0.56 H new ATOM 0 HH TYR A 139 14.571 5.357 3.536 1.00 0.64 H new ATOM 2464 N TYR A 140 6.591 3.790 6.767 1.00 0.29 N ATOM 2465 CA TYR A 140 5.616 3.368 7.749 1.00 0.27 C ATOM 2466 C TYR A 140 6.308 2.523 8.801 1.00 0.29 C ATOM 2467 O TYR A 140 7.350 1.932 8.540 1.00 0.37 O ATOM 2468 CB TYR A 140 4.512 2.521 7.097 1.00 0.27 C ATOM 2469 CG TYR A 140 3.635 3.250 6.104 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.300 3.486 6.389 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.133 3.690 4.884 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.485 4.140 5.491 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.321 4.349 3.980 1.00 0.52 C ATOM 2474 CZ TYR A 140 1.998 4.571 4.289 1.00 0.48 C ATOM 2475 OH TYR A 140 1.184 5.229 3.401 1.00 0.60 O ATOM 0 H TYR A 140 6.948 3.033 6.184 1.00 0.29 H new ATOM 0 HA TYR A 140 5.168 4.256 8.194 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.978 1.675 6.592 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.878 2.113 7.884 1.00 0.27 H new ATOM 0 HD1 TYR A 140 1.891 3.152 7.331 1.00 0.39 H new ATOM 0 HD2 TYR A 140 5.170 3.515 4.638 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.446 4.314 5.730 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.722 4.688 3.036 1.00 0.52 H new ATOM 0 HH TYR A 140 1.385 4.930 2.490 1.00 0.60 H new ATOM 2485 N LYS A 141 5.749 2.480 9.986 1.00 0.37 N ATOM 2486 CA LYS A 141 6.109 1.451 10.943 1.00 0.48 C ATOM 2487 C LYS A 141 4.831 0.930 11.531 1.00 0.45 C ATOM 2488 O LYS A 141 3.775 1.424 11.180 1.00 0.54 O ATOM 2489 CB LYS A 141 7.051 1.939 12.049 1.00 0.69 C ATOM 2490 CG LYS A 141 6.377 2.653 13.208 1.00 0.72 C ATOM 2491 CD LYS A 141 5.911 4.038 12.826 1.00 0.97 C ATOM 2492 CE LYS A 141 5.431 4.795 14.051 1.00 1.45 C ATOM 2493 NZ LYS A 141 5.348 6.258 13.803 1.00 1.92 N ATOM 0 H LYS A 141 5.045 3.141 10.314 1.00 0.37 H new ATOM 0 HA LYS A 141 6.665 0.671 10.423 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.599 1.082 12.441 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.786 2.612 11.607 1.00 0.69 H new ATOM 0 HG2 LYS A 141 5.525 2.065 13.550 1.00 0.72 H new ATOM 0 HG3 LYS A 141 7.072 2.722 14.045 1.00 0.72 H new ATOM 0 HD2 LYS A 141 6.726 4.584 12.350 1.00 0.97 H new ATOM 0 HD3 LYS A 141 5.105 3.968 12.096 1.00 0.97 H new ATOM 0 HE2 LYS A 141 4.451 4.421 14.347 1.00 1.45 H new ATOM 0 HE3 LYS A 141 6.109 4.606 14.883 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 5.033 6.740 14.669 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 6.285 6.617 13.528 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 4.668 6.442 13.038 1.00 1.92 H new ATOM 2507 N LYS A 142 4.914 -0.061 12.391 1.00 0.44 N ATOM 2508 CA LYS A 142 3.728 -0.588 13.063 1.00 0.43 C ATOM 2509 C LYS A 142 2.915 0.541 13.736 1.00 0.36 C ATOM 2510 O LYS A 142 3.330 1.699 13.774 1.00 0.34 O ATOM 2511 CB LYS A 142 4.152 -1.643 14.097 1.00 0.54 C ATOM 2512 CG LYS A 142 2.990 -2.358 14.768 1.00 0.87 C ATOM 2513 CD LYS A 142 3.464 -3.423 15.744 1.00 1.30 C ATOM 2514 CE LYS A 142 2.302 -4.009 16.531 1.00 1.43 C ATOM 2515 NZ LYS A 142 1.689 -3.011 17.451 1.00 2.13 N ATOM 0 H LYS A 142 5.786 -0.524 12.647 1.00 0.44 H new ATOM 0 HA LYS A 142 3.083 -1.053 12.318 1.00 0.43 H new ATOM 0 HB2 LYS A 142 4.785 -2.383 13.607 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.759 -1.161 14.863 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.373 -1.631 15.296 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.359 -2.818 14.007 1.00 0.87 H new ATOM 0 HD2 LYS A 142 3.974 -4.217 15.199 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.191 -2.991 16.432 1.00 1.30 H new ATOM 0 HE2 LYS A 142 1.545 -4.377 15.839 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.650 -4.866 17.107 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 0.654 -3.107 17.428 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 2.030 -3.176 18.419 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 1.954 -2.052 17.149 1.00 2.13 H new ATOM 2529 N GLN A 143 1.695 0.234 14.123 1.00 0.44 N ATOM 2530 CA GLN A 143 1.009 1.034 15.123 1.00 0.53 C ATOM 2531 C GLN A 143 1.638 0.772 16.483 1.00 0.68 C ATOM 2532 O GLN A 143 2.434 1.607 16.949 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.477 0.677 15.174 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.262 1.106 13.955 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.747 2.535 14.035 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -2.014 3.063 15.115 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -1.866 3.163 12.887 1.00 1.28 N ATOM 2538 OXT GLN A 143 1.363 -0.302 17.064 1.00 1.19 O ATOM 0 H GLN A 143 1.159 -0.557 13.766 1.00 0.44 H new ATOM 0 HA GLN A 143 1.104 2.087 14.860 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.576 -0.402 15.294 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -0.919 1.138 16.057 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.638 0.989 13.069 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.119 0.444 13.831 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -1.633 2.684 12.017 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -2.192 4.129 12.866 1.00 1.28 H new