USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=49 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 103 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 86 THR OG1 : rot 14:sc= 1.23 USER MOD Set 2.2: A 88 HIS : no HD1:sc= -1.32! C(o=-0.094!,f=-4.8!) USER MOD Set 3.1: A 43 LYS NZ :NH3+ -172:sc= 0.812 (180deg=0) USER MOD Set 3.2: A 58 MET CE :methyl -123:sc= -1.12 (180deg=-2.76!) USER MOD Set 3.3: A 60 ASN : amide:sc= -0.803 K(o=-0.94,f=-7.1!) USER MOD Set 3.4: A 118 TYR OH : rot -165:sc= 2.14 USER MOD Set 3.5: A 127 MET CE :methyl -153:sc= -1.97! (180deg=-2.59) USER MOD Single : A 2 THR OG1 : rot 28:sc= 0.489 USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.12) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0356) USER MOD Single : A 18 ASN : amide:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0343 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.0505 (180deg=-0.374) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -167:sc= -0.393 (180deg=-0.708) USER MOD Single : A 34 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.088) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.02) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 1.34 (180deg=1.33) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -29:sc= 0.604 USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= -0.105 (180deg=-1.72!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 62 THR OG1 : rot 145:sc= 0.589 USER MOD Single : A 63 THR OG1 : rot 170:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0913) USER MOD Single : A 67 THR OG1 : rot -168:sc= -3.2! USER MOD Single : A 68 HIS : no HE2:sc= -0.922 K(o=-0.92,f=-4.8!) USER MOD Single : A 69 HIS : +bothHN:sc= 1.71 K(o=1.7,f=-7.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0162 F(o=-1.3!,f=-0.016) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0112 F(o=-1.3!,f=-0.011) USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= 0.492 (180deg=-0.333) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.1) USER MOD Single : A 98 ASN : amide:sc= -2.79! C(o=-2.8!,f=-6!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 101 THR OG1 : rot -37:sc= 0.843 USER MOD Single : A 104 HIS : +bothHN:sc= -1.1! C(o=-1.1!,f=-11!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 73:sc= 0.856 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -139:sc= -1.92 (180deg=-6.76!) USER MOD Single : A 130 SER OG : rot 40:sc= 0.00666 USER MOD Single : A 132 LYS NZ :NH3+ 156:sc= 0.0505 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 52:sc= 1.36 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot -140:sc= -0.155 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -167:sc= -0.0221 (180deg=-0.193) USER MOD Single : A 143 GLN :FLIP amide:sc= -1.29 F(o=-3.3!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 2.139 -18.240 1.050 1.00 0.86 N ATOM 211 CA THR A 2 1.646 -17.730 2.315 1.00 0.81 C ATOM 212 C THR A 2 2.360 -16.428 2.654 1.00 0.66 C ATOM 213 O THR A 2 3.589 -16.373 2.660 1.00 0.64 O ATOM 214 CB THR A 2 1.862 -18.743 3.446 1.00 0.86 C ATOM 215 OG1 THR A 2 1.730 -20.080 2.939 1.00 0.99 O ATOM 216 CG2 THR A 2 0.849 -18.525 4.560 1.00 0.92 C ATOM 0 HA THR A 2 0.575 -17.553 2.216 1.00 0.81 H new ATOM 0 HB THR A 2 2.866 -18.601 3.846 1.00 0.86 H new ATOM 0 HG1 THR A 2 1.972 -20.095 1.990 1.00 0.99 H new ATOM 0 HG21 THR A 2 1.018 -19.253 5.353 1.00 0.92 H new ATOM 0 HG22 THR A 2 0.961 -17.518 4.962 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.159 -18.647 4.164 1.00 0.92 H new ATOM 224 N LEU A 3 1.580 -15.384 2.908 1.00 0.59 N ATOM 225 CA LEU A 3 2.125 -14.060 3.176 1.00 0.50 C ATOM 226 C LEU A 3 3.081 -14.098 4.360 1.00 0.49 C ATOM 227 O LEU A 3 2.697 -14.497 5.461 1.00 0.53 O ATOM 228 CB LEU A 3 1.007 -13.061 3.474 1.00 0.49 C ATOM 229 CG LEU A 3 0.967 -11.812 2.587 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.102 -10.752 3.226 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.357 -11.258 2.340 1.00 0.49 C ATOM 0 H LEU A 3 0.561 -15.431 2.934 1.00 0.59 H new ATOM 0 HA LEU A 3 2.665 -13.743 2.284 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.052 -13.578 3.383 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.099 -12.742 4.512 1.00 0.49 H new ATOM 0 HG LEU A 3 0.543 -12.101 1.625 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.079 -9.868 2.589 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.911 -11.135 3.351 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.512 -10.486 4.200 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.289 -10.373 1.707 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.816 -10.989 3.291 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.967 -12.013 1.843 1.00 0.49 H new ATOM 243 N PRO A 4 4.343 -13.704 4.139 1.00 0.50 N ATOM 244 CA PRO A 4 5.327 -13.576 5.209 1.00 0.54 C ATOM 245 C PRO A 4 4.830 -12.636 6.298 1.00 0.47 C ATOM 246 O PRO A 4 4.484 -11.484 6.023 1.00 0.42 O ATOM 247 CB PRO A 4 6.556 -12.985 4.511 1.00 0.60 C ATOM 248 CG PRO A 4 6.389 -13.336 3.074 1.00 0.61 C ATOM 249 CD PRO A 4 4.907 -13.356 2.825 1.00 0.52 C ATOM 0 HA PRO A 4 5.533 -14.527 5.701 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.608 -11.905 4.650 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.478 -13.403 4.915 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.883 -12.605 2.433 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.835 -14.306 2.854 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.545 -12.389 2.476 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.637 -14.090 2.065 1.00 0.52 H new ATOM 257 N ASP A 5 4.790 -13.143 7.527 1.00 0.51 N ATOM 258 CA ASP A 5 4.305 -12.384 8.680 1.00 0.51 C ATOM 259 C ASP A 5 5.006 -11.038 8.826 1.00 0.45 C ATOM 260 O ASP A 5 4.481 -10.127 9.466 1.00 0.44 O ATOM 261 CB ASP A 5 4.474 -13.199 9.965 1.00 0.63 C ATOM 262 CG ASP A 5 3.462 -14.319 10.087 1.00 1.50 C ATOM 263 OD1 ASP A 5 2.417 -14.115 10.741 1.00 2.09 O ATOM 264 OD2 ASP A 5 3.707 -15.409 9.530 1.00 2.19 O ATOM 0 H ASP A 5 5.092 -14.091 7.754 1.00 0.51 H new ATOM 0 HA ASP A 5 3.247 -12.187 8.507 1.00 0.51 H new ATOM 0 HB2 ASP A 5 5.479 -13.619 9.994 1.00 0.63 H new ATOM 0 HB3 ASP A 5 4.381 -12.536 10.825 1.00 0.63 H new ATOM 269 N LYS A 6 6.196 -10.921 8.241 1.00 0.45 N ATOM 270 CA LYS A 6 6.943 -9.666 8.233 1.00 0.45 C ATOM 271 C LYS A 6 6.099 -8.498 7.714 1.00 0.38 C ATOM 272 O LYS A 6 6.272 -7.364 8.156 1.00 0.42 O ATOM 273 CB LYS A 6 8.203 -9.794 7.371 1.00 0.56 C ATOM 274 CG LYS A 6 9.174 -10.858 7.854 1.00 1.10 C ATOM 275 CD LYS A 6 10.439 -10.906 7.006 1.00 1.64 C ATOM 276 CE LYS A 6 10.138 -11.216 5.547 1.00 2.01 C ATOM 277 NZ LYS A 6 11.380 -11.420 4.751 1.00 2.53 N ATOM 0 H LYS A 6 6.667 -11.689 7.762 1.00 0.45 H new ATOM 0 HA LYS A 6 7.220 -9.458 9.267 1.00 0.45 H new ATOM 0 HB2 LYS A 6 7.909 -10.023 6.347 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.715 -8.832 7.348 1.00 0.56 H new ATOM 0 HG2 LYS A 6 9.441 -10.660 8.892 1.00 1.10 H new ATOM 0 HG3 LYS A 6 8.685 -11.832 7.831 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.957 -9.949 7.074 1.00 1.64 H new ATOM 0 HD3 LYS A 6 11.114 -11.663 7.405 1.00 1.64 H new ATOM 0 HE2 LYS A 6 9.518 -12.111 5.487 1.00 2.01 H new ATOM 0 HE3 LYS A 6 9.561 -10.399 5.115 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 11.144 -11.443 3.738 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 12.042 -10.639 4.934 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 11.823 -12.321 5.023 1.00 2.53 H new ATOM 291 N PHE A 7 5.181 -8.766 6.788 1.00 0.36 N ATOM 292 CA PHE A 7 4.403 -7.698 6.171 1.00 0.35 C ATOM 293 C PHE A 7 3.091 -7.458 6.907 1.00 0.32 C ATOM 294 O PHE A 7 2.345 -6.551 6.558 1.00 0.35 O ATOM 295 CB PHE A 7 4.097 -8.031 4.705 1.00 0.39 C ATOM 296 CG PHE A 7 5.314 -8.226 3.850 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.312 -7.267 3.814 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.457 -9.367 3.076 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.432 -7.443 3.026 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.574 -9.548 2.287 1.00 0.54 C ATOM 301 CZ PHE A 7 7.562 -8.585 2.263 1.00 0.57 C ATOM 0 H PHE A 7 4.960 -9.703 6.452 1.00 0.36 H new ATOM 0 HA PHE A 7 5.006 -6.792 6.227 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.493 -8.937 4.669 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.494 -7.229 4.280 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.213 -6.371 4.409 1.00 0.52 H new ATOM 0 HD2 PHE A 7 4.685 -10.123 3.091 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.204 -6.688 3.007 1.00 0.60 H new ATOM 0 HE2 PHE A 7 6.675 -10.442 1.689 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.438 -8.725 1.647 1.00 0.57 H new ATOM 311 N LEU A 8 2.820 -8.246 7.938 1.00 0.30 N ATOM 312 CA LEU A 8 1.513 -8.219 8.574 1.00 0.29 C ATOM 313 C LEU A 8 1.503 -7.296 9.785 1.00 0.29 C ATOM 314 O LEU A 8 2.478 -7.221 10.536 1.00 0.33 O ATOM 315 CB LEU A 8 1.101 -9.634 8.978 1.00 0.34 C ATOM 316 CG LEU A 8 1.004 -10.627 7.817 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.678 -12.016 8.327 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.043 -10.174 6.814 1.00 0.35 C ATOM 0 H LEU A 8 3.481 -8.905 8.348 1.00 0.30 H new ATOM 0 HA LEU A 8 0.793 -7.828 7.855 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.820 -10.014 9.704 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.135 -9.587 9.480 1.00 0.34 H new ATOM 0 HG LEU A 8 1.972 -10.662 7.317 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.614 -12.707 7.486 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.462 -12.347 9.009 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.276 -11.996 8.854 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.098 -10.892 5.996 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.014 -10.109 7.306 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.230 -9.195 6.420 1.00 0.35 H new ATOM 330 N GLY A 9 0.393 -6.594 9.957 1.00 0.32 N ATOM 331 CA GLY A 9 0.243 -5.683 11.072 1.00 0.33 C ATOM 332 C GLY A 9 -0.378 -4.368 10.654 1.00 0.31 C ATOM 333 O GLY A 9 -0.623 -4.137 9.469 1.00 0.52 O ATOM 0 H GLY A 9 -0.415 -6.641 9.336 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.376 -6.148 11.839 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.219 -5.496 11.521 1.00 0.33 H new ATOM 337 N THR A 10 -0.650 -3.517 11.629 1.00 0.34 N ATOM 338 CA THR A 10 -1.161 -2.184 11.375 1.00 0.35 C ATOM 339 C THR A 10 -0.039 -1.158 11.539 1.00 0.32 C ATOM 340 O THR A 10 0.561 -1.058 12.608 1.00 0.40 O ATOM 341 CB THR A 10 -2.312 -1.864 12.346 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.327 -2.873 12.250 1.00 1.05 O ATOM 343 CG2 THR A 10 -2.915 -0.506 12.049 1.00 0.99 C ATOM 0 H THR A 10 -0.522 -3.732 12.618 1.00 0.34 H new ATOM 0 HA THR A 10 -1.540 -2.139 10.354 1.00 0.35 H new ATOM 0 HB THR A 10 -1.907 -1.847 13.358 1.00 0.38 H new ATOM 0 HG1 THR A 10 -4.055 -2.664 12.871 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.725 -0.307 12.750 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.149 0.263 12.152 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.305 -0.496 11.031 1.00 0.99 H new ATOM 351 N PHE A 11 0.254 -0.413 10.481 1.00 0.27 N ATOM 352 CA PHE A 11 1.371 0.530 10.491 1.00 0.27 C ATOM 353 C PHE A 11 0.890 1.961 10.269 1.00 0.28 C ATOM 354 O PHE A 11 0.068 2.203 9.389 1.00 0.32 O ATOM 355 CB PHE A 11 2.374 0.184 9.380 1.00 0.31 C ATOM 356 CG PHE A 11 2.754 -1.270 9.292 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.789 -1.782 10.056 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.080 -2.121 8.430 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.143 -3.116 9.964 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.428 -3.455 8.334 1.00 0.43 C ATOM 361 CZ PHE A 11 3.461 -3.953 9.103 1.00 0.44 C ATOM 0 H PHE A 11 -0.265 -0.442 9.603 1.00 0.27 H new ATOM 0 HA PHE A 11 1.847 0.455 11.469 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.953 0.492 8.423 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.279 0.771 9.534 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.326 -1.132 10.731 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.272 -1.736 7.825 1.00 0.38 H new ATOM 0 HE1 PHE A 11 4.952 -3.503 10.565 1.00 0.47 H new ATOM 0 HE2 PHE A 11 1.893 -4.107 7.659 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.735 -4.995 9.031 1.00 0.44 H new ATOM 371 N LYS A 12 1.399 2.913 11.056 1.00 0.29 N ATOM 372 CA LYS A 12 1.164 4.323 10.752 1.00 0.33 C ATOM 373 C LYS A 12 2.324 4.897 9.932 1.00 0.27 C ATOM 374 O LYS A 12 3.488 4.545 10.147 1.00 0.69 O ATOM 375 CB LYS A 12 0.930 5.145 12.034 1.00 0.48 C ATOM 376 CG LYS A 12 2.027 5.044 13.096 1.00 0.78 C ATOM 377 CD LYS A 12 3.248 5.902 12.774 1.00 1.28 C ATOM 378 CE LYS A 12 2.924 7.391 12.759 1.00 1.72 C ATOM 379 NZ LYS A 12 2.601 7.911 14.113 1.00 2.19 N ATOM 0 H LYS A 12 1.963 2.738 11.888 1.00 0.29 H new ATOM 0 HA LYS A 12 0.256 4.390 10.153 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.814 6.193 11.756 1.00 0.48 H new ATOM 0 HB3 LYS A 12 -0.013 4.828 12.480 1.00 0.48 H new ATOM 0 HG2 LYS A 12 1.620 5.347 14.061 1.00 0.78 H new ATOM 0 HG3 LYS A 12 2.336 4.003 13.194 1.00 0.78 H new ATOM 0 HD2 LYS A 12 4.028 5.710 13.511 1.00 1.28 H new ATOM 0 HD3 LYS A 12 3.648 5.610 11.803 1.00 1.28 H new ATOM 0 HE2 LYS A 12 3.773 7.941 12.354 1.00 1.72 H new ATOM 0 HE3 LYS A 12 2.080 7.570 12.092 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 2.471 8.942 14.067 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 1.726 7.466 14.456 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 3.380 7.689 14.765 1.00 2.19 H new ATOM 393 N LEU A 13 1.989 5.727 8.949 1.00 0.60 N ATOM 394 CA LEU A 13 2.983 6.439 8.148 1.00 0.50 C ATOM 395 C LEU A 13 3.918 7.257 9.040 1.00 0.46 C ATOM 396 O LEU A 13 3.499 8.230 9.670 1.00 0.52 O ATOM 397 CB LEU A 13 2.262 7.350 7.139 1.00 0.52 C ATOM 398 CG LEU A 13 3.096 7.845 5.947 1.00 0.55 C ATOM 399 CD1 LEU A 13 2.185 8.369 4.852 1.00 1.14 C ATOM 400 CD2 LEU A 13 4.063 8.937 6.365 1.00 1.04 C ATOM 0 H LEU A 13 1.024 5.926 8.685 1.00 0.60 H new ATOM 0 HA LEU A 13 3.592 5.714 7.609 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.397 6.812 6.751 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.882 8.220 7.675 1.00 0.52 H new ATOM 0 HG LEU A 13 3.672 6.999 5.572 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.787 8.717 4.013 1.00 1.14 H new ATOM 0 HD12 LEU A 13 1.523 7.571 4.517 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.590 9.196 5.239 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.638 9.265 5.499 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.505 9.781 6.771 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.742 8.551 7.125 1.00 1.04 H new ATOM 412 N GLU A 14 5.185 6.856 9.090 1.00 0.45 N ATOM 413 CA GLU A 14 6.184 7.553 9.886 1.00 0.48 C ATOM 414 C GLU A 14 6.643 8.808 9.150 1.00 0.45 C ATOM 415 O GLU A 14 6.609 9.906 9.705 1.00 0.49 O ATOM 416 CB GLU A 14 7.365 6.608 10.168 1.00 0.55 C ATOM 417 CG GLU A 14 8.376 7.122 11.191 1.00 0.67 C ATOM 418 CD GLU A 14 9.393 8.085 10.607 1.00 1.17 C ATOM 419 OE1 GLU A 14 10.320 7.623 9.906 1.00 2.08 O ATOM 420 OE2 GLU A 14 9.285 9.301 10.866 1.00 1.56 O ATOM 0 H GLU A 14 5.543 6.046 8.584 1.00 0.45 H new ATOM 0 HA GLU A 14 5.754 7.858 10.840 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.971 5.654 10.517 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.887 6.414 9.231 1.00 0.55 H new ATOM 0 HG2 GLU A 14 7.841 7.618 12.001 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.901 6.273 11.629 1.00 0.67 H new ATOM 427 N ARG A 15 7.047 8.644 7.893 1.00 0.42 N ATOM 428 CA ARG A 15 7.473 9.773 7.072 1.00 0.44 C ATOM 429 C ARG A 15 7.468 9.378 5.595 1.00 0.37 C ATOM 430 O ARG A 15 7.206 8.221 5.255 1.00 0.38 O ATOM 431 CB ARG A 15 8.868 10.242 7.486 1.00 0.51 C ATOM 432 CG ARG A 15 9.988 9.366 6.958 1.00 0.53 C ATOM 433 CD ARG A 15 11.321 9.756 7.565 1.00 0.77 C ATOM 434 NE ARG A 15 12.440 9.113 6.882 1.00 1.68 N ATOM 435 CZ ARG A 15 12.949 7.934 7.229 1.00 2.34 C ATOM 436 NH1 ARG A 15 12.411 7.241 8.223 1.00 2.45 N ATOM 437 NH2 ARG A 15 13.986 7.443 6.564 1.00 3.36 N ATOM 0 H ARG A 15 7.088 7.741 7.421 1.00 0.42 H new ATOM 0 HA ARG A 15 6.773 10.595 7.222 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.019 11.262 7.132 1.00 0.51 H new ATOM 0 HB3 ARG A 15 8.924 10.271 8.574 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.774 8.321 7.184 1.00 0.53 H new ATOM 0 HG3 ARG A 15 10.040 9.453 5.873 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.439 10.838 7.516 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.334 9.482 8.620 1.00 0.77 H new ATOM 0 HE ARG A 15 12.858 9.599 6.088 1.00 1.68 H new ATOM 0 HH11 ARG A 15 11.604 7.611 8.725 1.00 2.45 H new ATOM 0 HH12 ARG A 15 12.804 6.337 8.486 1.00 2.45 H new ATOM 0 HH21 ARG A 15 14.391 7.969 5.789 1.00 3.36 H new ATOM 0 HH22 ARG A 15 14.379 6.539 6.827 1.00 3.36 H new ATOM 451 N ASP A 16 7.779 10.331 4.727 1.00 0.38 N ATOM 452 CA ASP A 16 7.756 10.095 3.289 1.00 0.43 C ATOM 453 C ASP A 16 9.008 10.651 2.636 1.00 0.39 C ATOM 454 O ASP A 16 9.674 11.517 3.196 1.00 0.52 O ATOM 455 CB ASP A 16 6.519 10.734 2.652 1.00 0.66 C ATOM 456 CG ASP A 16 6.542 12.251 2.710 1.00 0.68 C ATOM 457 OD1 ASP A 16 6.012 12.830 3.684 1.00 1.19 O ATOM 458 OD2 ASP A 16 7.092 12.876 1.781 1.00 0.72 O ATOM 0 H ASP A 16 8.051 11.277 4.994 1.00 0.38 H new ATOM 0 HA ASP A 16 7.719 9.017 3.129 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.447 10.416 1.612 1.00 0.66 H new ATOM 0 HB3 ASP A 16 5.626 10.369 3.159 1.00 0.66 H new ATOM 463 N GLU A 17 9.325 10.151 1.451 1.00 0.36 N ATOM 464 CA GLU A 17 10.496 10.607 0.721 1.00 0.38 C ATOM 465 C GLU A 17 10.189 10.691 -0.768 1.00 0.40 C ATOM 466 O GLU A 17 9.868 9.680 -1.387 1.00 0.83 O ATOM 467 CB GLU A 17 11.670 9.654 0.958 1.00 0.48 C ATOM 468 CG GLU A 17 12.965 10.137 0.331 1.00 1.18 C ATOM 469 CD GLU A 17 14.105 9.156 0.486 1.00 1.83 C ATOM 470 OE1 GLU A 17 14.181 8.203 -0.315 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.919 9.317 1.422 1.00 2.13 O ATOM 0 H GLU A 17 8.786 9.428 0.975 1.00 0.36 H new ATOM 0 HA GLU A 17 10.767 11.599 1.082 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.817 9.528 2.031 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.421 8.673 0.553 1.00 0.48 H new ATOM 0 HG2 GLU A 17 12.799 10.326 -0.730 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.248 11.087 0.784 1.00 1.18 H new ATOM 478 N ASN A 18 10.267 11.902 -1.324 1.00 0.34 N ATOM 479 CA ASN A 18 10.075 12.136 -2.763 1.00 0.30 C ATOM 480 C ASN A 18 8.618 11.896 -3.167 1.00 0.28 C ATOM 481 O ASN A 18 8.309 11.609 -4.327 1.00 0.27 O ATOM 482 CB ASN A 18 11.013 11.240 -3.584 1.00 0.32 C ATOM 483 CG ASN A 18 11.326 11.811 -4.954 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.409 13.026 -5.127 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.514 10.942 -5.932 1.00 0.66 N ATOM 0 H ASN A 18 10.465 12.750 -0.792 1.00 0.34 H new ATOM 0 HA ASN A 18 10.318 13.178 -2.971 1.00 0.30 H new ATOM 0 HB2 ASN A 18 11.943 11.097 -3.035 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.557 10.257 -3.701 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.737 11.272 -6.871 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.436 9.942 -5.747 1.00 0.66 H new ATOM 492 N PHE A 19 7.725 12.048 -2.201 1.00 0.30 N ATOM 493 CA PHE A 19 6.310 11.772 -2.415 1.00 0.31 C ATOM 494 C PHE A 19 5.658 12.894 -3.208 1.00 0.31 C ATOM 495 O PHE A 19 4.834 12.642 -4.088 1.00 0.32 O ATOM 496 CB PHE A 19 5.583 11.579 -1.083 1.00 0.37 C ATOM 497 CG PHE A 19 4.176 11.072 -1.242 1.00 0.36 C ATOM 498 CD1 PHE A 19 3.900 9.955 -2.015 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.127 11.722 -0.615 1.00 0.45 C ATOM 500 CE1 PHE A 19 2.602 9.502 -2.161 1.00 0.49 C ATOM 501 CE2 PHE A 19 1.831 11.272 -0.755 1.00 0.48 C ATOM 502 CZ PHE A 19 1.588 10.108 -1.541 1.00 0.44 C ATOM 0 H PHE A 19 7.955 12.362 -1.258 1.00 0.30 H new ATOM 0 HA PHE A 19 6.233 10.848 -2.988 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.147 10.878 -0.467 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.562 12.528 -0.548 1.00 0.37 H new ATOM 0 HD1 PHE A 19 4.707 9.433 -2.508 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.326 12.593 -0.008 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.406 8.644 -2.787 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.014 11.793 -0.277 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.585 9.718 -1.634 1.00 0.44 H new ATOM 512 N ASP A 20 6.015 14.134 -2.884 1.00 0.33 N ATOM 513 CA ASP A 20 5.517 15.293 -3.618 1.00 0.37 C ATOM 514 C ASP A 20 5.806 15.145 -5.105 1.00 0.33 C ATOM 515 O ASP A 20 4.908 15.261 -5.940 1.00 0.33 O ATOM 516 CB ASP A 20 6.165 16.573 -3.085 1.00 0.46 C ATOM 517 CG ASP A 20 5.566 17.831 -3.688 1.00 1.08 C ATOM 518 OD1 ASP A 20 6.027 18.246 -4.769 1.00 1.22 O ATOM 519 OD2 ASP A 20 4.621 18.392 -3.099 1.00 2.04 O ATOM 0 H ASP A 20 6.648 14.362 -2.117 1.00 0.33 H new ATOM 0 HA ASP A 20 4.438 15.355 -3.476 1.00 0.37 H new ATOM 0 HB2 ASP A 20 6.054 16.607 -2.001 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.234 16.548 -3.295 1.00 0.46 H new ATOM 524 N GLU A 21 7.069 14.869 -5.420 1.00 0.34 N ATOM 525 CA GLU A 21 7.494 14.638 -6.798 1.00 0.35 C ATOM 526 C GLU A 21 6.655 13.554 -7.466 1.00 0.31 C ATOM 527 O GLU A 21 6.248 13.702 -8.620 1.00 0.34 O ATOM 528 CB GLU A 21 8.968 14.256 -6.842 1.00 0.41 C ATOM 529 CG GLU A 21 9.893 15.383 -6.432 1.00 0.51 C ATOM 530 CD GLU A 21 9.771 16.593 -7.334 1.00 1.14 C ATOM 531 OE1 GLU A 21 10.107 16.491 -8.529 1.00 1.65 O ATOM 532 OE2 GLU A 21 9.338 17.657 -6.847 1.00 1.79 O ATOM 0 H GLU A 21 7.821 14.800 -4.734 1.00 0.34 H new ATOM 0 HA GLU A 21 7.348 15.567 -7.349 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.134 13.402 -6.185 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.223 13.936 -7.852 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.671 15.675 -5.406 1.00 0.51 H new ATOM 0 HG3 GLU A 21 10.923 15.026 -6.446 1.00 0.51 H new ATOM 539 N TYR A 22 6.395 12.467 -6.739 1.00 0.29 N ATOM 540 CA TYR A 22 5.539 11.402 -7.250 1.00 0.28 C ATOM 541 C TYR A 22 4.160 11.945 -7.604 1.00 0.30 C ATOM 542 O TYR A 22 3.593 11.589 -8.631 1.00 0.33 O ATOM 543 CB TYR A 22 5.403 10.266 -6.231 1.00 0.30 C ATOM 544 CG TYR A 22 4.438 9.176 -6.660 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.117 9.182 -6.233 1.00 0.41 C ATOM 546 CD2 TYR A 22 4.853 8.140 -7.490 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.237 8.186 -6.621 1.00 0.48 C ATOM 548 CE2 TYR A 22 3.980 7.143 -7.880 1.00 0.44 C ATOM 549 CZ TYR A 22 2.663 7.185 -7.455 1.00 0.50 C ATOM 550 OH TYR A 22 1.798 6.183 -7.837 1.00 0.57 O ATOM 0 H TYR A 22 6.763 12.303 -5.802 1.00 0.29 H new ATOM 0 HA TYR A 22 6.007 11.005 -8.151 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.384 9.824 -6.060 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.070 10.681 -5.280 1.00 0.30 H new ATOM 0 HD1 TYR A 22 2.770 9.976 -5.588 1.00 0.41 H new ATOM 0 HD2 TYR A 22 5.876 8.115 -7.836 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.217 8.198 -6.267 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.322 6.337 -8.512 1.00 0.44 H new ATOM 0 HH TYR A 22 2.264 5.557 -8.430 1.00 0.57 H new ATOM 560 N LEU A 23 3.632 12.821 -6.758 1.00 0.28 N ATOM 561 CA LEU A 23 2.303 13.382 -6.969 1.00 0.30 C ATOM 562 C LEU A 23 2.284 14.246 -8.225 1.00 0.34 C ATOM 563 O LEU A 23 1.339 14.194 -9.012 1.00 0.37 O ATOM 564 CB LEU A 23 1.872 14.207 -5.757 1.00 0.30 C ATOM 565 CG LEU A 23 1.767 13.422 -4.450 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.342 14.332 -3.310 1.00 0.33 C ATOM 567 CD2 LEU A 23 0.794 12.268 -4.608 1.00 0.32 C ATOM 0 H LEU A 23 4.104 13.158 -5.919 1.00 0.28 H new ATOM 0 HA LEU A 23 1.600 12.559 -7.099 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.583 15.022 -5.619 1.00 0.30 H new ATOM 0 HB3 LEU A 23 0.904 14.661 -5.970 1.00 0.30 H new ATOM 0 HG LEU A 23 2.749 13.016 -4.209 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.273 13.753 -2.389 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.077 15.127 -3.185 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.370 14.770 -3.537 1.00 0.33 H new ATOM 0 HD21 LEU A 23 0.728 11.717 -3.670 1.00 0.32 H new ATOM 0 HD22 LEU A 23 -0.190 12.655 -4.871 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.144 11.602 -5.397 1.00 0.32 H new ATOM 579 N LYS A 24 3.347 15.023 -8.413 1.00 0.34 N ATOM 580 CA LYS A 24 3.494 15.866 -9.597 1.00 0.39 C ATOM 581 C LYS A 24 3.532 14.999 -10.846 1.00 0.40 C ATOM 582 O LYS A 24 2.769 15.203 -11.792 1.00 0.44 O ATOM 583 CB LYS A 24 4.786 16.685 -9.512 1.00 0.41 C ATOM 584 CG LYS A 24 4.917 17.500 -8.236 1.00 0.45 C ATOM 585 CD LYS A 24 6.259 18.212 -8.155 1.00 0.55 C ATOM 586 CE LYS A 24 6.363 19.353 -9.156 1.00 1.35 C ATOM 587 NZ LYS A 24 5.333 20.399 -8.921 1.00 1.88 N ATOM 0 H LYS A 24 4.125 15.087 -7.756 1.00 0.34 H new ATOM 0 HA LYS A 24 2.643 16.545 -9.647 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.638 16.010 -9.589 1.00 0.41 H new ATOM 0 HB3 LYS A 24 4.835 17.358 -10.368 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.113 18.234 -8.190 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.801 16.845 -7.373 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.402 18.601 -7.147 1.00 0.55 H new ATOM 0 HD3 LYS A 24 7.060 17.496 -8.338 1.00 0.55 H new ATOM 0 HE2 LYS A 24 7.355 19.801 -9.093 1.00 1.35 H new ATOM 0 HE3 LYS A 24 6.255 18.959 -10.167 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 5.614 21.277 -9.402 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 4.418 20.076 -9.296 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 5.245 20.577 -7.900 1.00 1.88 H new ATOM 601 N ALA A 25 4.430 14.024 -10.821 1.00 0.40 N ATOM 602 CA ALA A 25 4.585 13.077 -11.915 1.00 0.43 C ATOM 603 C ALA A 25 3.283 12.336 -12.190 1.00 0.43 C ATOM 604 O ALA A 25 2.914 12.118 -13.345 1.00 0.44 O ATOM 605 CB ALA A 25 5.695 12.088 -11.601 1.00 0.43 C ATOM 0 H ALA A 25 5.070 13.868 -10.043 1.00 0.40 H new ATOM 0 HA ALA A 25 4.851 13.638 -12.811 1.00 0.43 H new ATOM 0 HB1 ALA A 25 5.801 11.385 -12.427 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.632 12.626 -11.460 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.449 11.542 -10.690 1.00 0.43 H new ATOM 611 N ARG A 26 2.588 11.974 -11.117 1.00 0.43 N ATOM 612 CA ARG A 26 1.350 11.208 -11.201 1.00 0.45 C ATOM 613 C ARG A 26 0.231 12.034 -11.838 1.00 0.47 C ATOM 614 O ARG A 26 -0.747 11.484 -12.345 1.00 0.51 O ATOM 615 CB ARG A 26 0.939 10.741 -9.802 1.00 0.48 C ATOM 616 CG ARG A 26 -0.205 9.742 -9.782 1.00 0.85 C ATOM 617 CD ARG A 26 0.135 8.485 -10.560 1.00 0.72 C ATOM 618 NE ARG A 26 -0.914 7.476 -10.453 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.716 7.120 -11.452 1.00 0.78 C ATOM 620 NH1 ARG A 26 -1.666 7.758 -12.617 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.594 6.147 -11.277 1.00 1.06 N ATOM 0 H ARG A 26 2.868 12.204 -10.163 1.00 0.43 H new ATOM 0 HA ARG A 26 1.523 10.339 -11.836 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.804 10.293 -9.314 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.655 11.612 -9.211 1.00 0.48 H new ATOM 0 HG2 ARG A 26 -0.441 9.479 -8.751 1.00 0.85 H new ATOM 0 HG3 ARG A 26 -1.098 10.202 -10.206 1.00 0.85 H new ATOM 0 HD2 ARG A 26 0.289 8.738 -11.609 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.074 8.073 -10.191 1.00 0.72 H new ATOM 0 HE ARG A 26 -1.040 7.014 -9.553 1.00 0.76 H new ATOM 0 HH11 ARG A 26 -1.009 8.527 -12.750 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -2.285 7.479 -13.378 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.655 5.671 -10.377 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -3.210 5.872 -12.042 1.00 1.06 H new ATOM 635 N GLY A 27 0.394 13.351 -11.837 1.00 0.46 N ATOM 636 CA GLY A 27 -0.600 14.219 -12.436 1.00 0.49 C ATOM 637 C GLY A 27 -1.477 14.924 -11.421 1.00 0.50 C ATOM 638 O GLY A 27 -2.605 15.300 -11.730 1.00 0.62 O ATOM 0 H GLY A 27 1.197 13.833 -11.432 1.00 0.46 H new ATOM 0 HA2 GLY A 27 -0.096 14.966 -13.050 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -1.230 13.631 -13.103 1.00 0.49 H new ATOM 642 N TYR A 28 -0.972 15.110 -10.212 1.00 0.48 N ATOM 643 CA TYR A 28 -1.722 15.818 -9.186 1.00 0.53 C ATOM 644 C TYR A 28 -1.259 17.264 -9.083 1.00 0.56 C ATOM 645 O TYR A 28 -0.065 17.540 -8.948 1.00 0.54 O ATOM 646 CB TYR A 28 -1.587 15.115 -7.834 1.00 0.51 C ATOM 647 CG TYR A 28 -2.315 13.794 -7.781 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.624 12.595 -7.657 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.698 13.746 -7.878 1.00 0.59 C ATOM 650 CE1 TYR A 28 -2.294 11.387 -7.632 1.00 0.54 C ATOM 651 CE2 TYR A 28 -4.375 12.546 -7.847 1.00 0.63 C ATOM 652 CZ TYR A 28 -3.670 11.368 -7.727 1.00 0.60 C ATOM 653 OH TYR A 28 -4.343 10.167 -7.722 1.00 0.64 O ATOM 0 H TYR A 28 -0.052 14.783 -9.918 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.774 15.813 -9.471 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.531 14.950 -7.620 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.973 15.768 -7.051 1.00 0.51 H new ATOM 0 HD1 TYR A 28 -0.547 12.607 -7.579 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -4.254 14.666 -7.980 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.743 10.463 -7.539 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -5.453 12.529 -7.916 1.00 0.63 H new ATOM 0 HH TYR A 28 -5.306 10.332 -7.795 1.00 0.64 H new ATOM 663 N GLY A 29 -2.217 18.179 -9.166 1.00 0.68 N ATOM 664 CA GLY A 29 -1.917 19.592 -9.093 1.00 0.80 C ATOM 665 C GLY A 29 -1.606 20.048 -7.683 1.00 0.88 C ATOM 666 O GLY A 29 -1.671 19.255 -6.741 1.00 1.54 O ATOM 0 H GLY A 29 -3.207 17.962 -9.284 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -1.067 19.813 -9.738 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.765 20.160 -9.476 1.00 0.80 H new ATOM 670 N TRP A 30 -1.293 21.334 -7.547 1.00 0.54 N ATOM 671 CA TRP A 30 -0.869 21.918 -6.276 1.00 0.56 C ATOM 672 C TRP A 30 -1.814 21.548 -5.131 1.00 0.54 C ATOM 673 O TRP A 30 -1.366 21.065 -4.094 1.00 0.52 O ATOM 674 CB TRP A 30 -0.775 23.442 -6.421 1.00 0.65 C ATOM 675 CG TRP A 30 -0.431 24.157 -5.150 1.00 0.75 C ATOM 676 CD1 TRP A 30 0.813 24.382 -4.643 1.00 0.84 C ATOM 677 CD2 TRP A 30 -1.353 24.748 -4.231 1.00 0.86 C ATOM 678 NE1 TRP A 30 0.721 25.070 -3.457 1.00 0.98 N ATOM 679 CE2 TRP A 30 -0.600 25.307 -3.183 1.00 0.99 C ATOM 680 CE3 TRP A 30 -2.744 24.854 -4.192 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -1.196 25.962 -2.109 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -3.332 25.505 -3.129 1.00 1.07 C ATOM 683 CH2 TRP A 30 -2.562 26.051 -2.100 1.00 1.18 C ATOM 0 H TRP A 30 -1.326 22.003 -8.317 1.00 0.54 H new ATOM 0 HA TRP A 30 0.111 21.510 -6.026 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.023 23.679 -7.174 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -1.728 23.820 -6.792 1.00 0.65 H new ATOM 0 HD1 TRP A 30 1.736 24.066 -5.105 1.00 0.84 H new ATOM 0 HE1 TRP A 30 1.508 25.357 -2.875 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -3.349 24.433 -4.981 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -0.602 26.385 -1.312 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -4.408 25.594 -3.091 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -3.054 26.554 -1.280 1.00 1.18 H new ATOM 694 N ILE A 31 -3.113 21.764 -5.330 1.00 0.60 N ATOM 695 CA ILE A 31 -4.109 21.474 -4.299 1.00 0.63 C ATOM 696 C ILE A 31 -4.007 20.037 -3.804 1.00 0.53 C ATOM 697 O ILE A 31 -3.885 19.794 -2.603 1.00 0.51 O ATOM 698 CB ILE A 31 -5.545 21.763 -4.809 1.00 0.76 C ATOM 699 CG1 ILE A 31 -5.941 23.195 -4.464 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.558 20.778 -4.228 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.055 23.430 -2.978 1.00 2.16 C ATOM 0 H ILE A 31 -3.501 22.139 -6.196 1.00 0.60 H new ATOM 0 HA ILE A 31 -3.898 22.136 -3.459 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.549 21.638 -5.892 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -5.203 23.881 -4.880 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -6.895 23.427 -4.938 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.552 21.012 -4.608 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.288 19.763 -4.520 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -6.558 20.855 -3.141 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -6.339 24.466 -2.794 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -6.813 22.766 -2.562 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.095 23.227 -2.503 1.00 2.16 H new ATOM 713 N MET A 32 -4.054 19.094 -4.728 1.00 0.48 N ATOM 714 CA MET A 32 -3.956 17.688 -4.379 1.00 0.43 C ATOM 715 C MET A 32 -2.661 17.400 -3.638 1.00 0.38 C ATOM 716 O MET A 32 -2.657 16.666 -2.656 1.00 0.39 O ATOM 717 CB MET A 32 -4.058 16.800 -5.619 1.00 0.48 C ATOM 718 CG MET A 32 -5.430 16.814 -6.273 1.00 0.55 C ATOM 719 SD MET A 32 -6.776 16.669 -5.082 1.00 0.97 S ATOM 720 CE MET A 32 -6.290 15.197 -4.194 1.00 0.48 C ATOM 0 H MET A 32 -4.159 19.276 -5.726 1.00 0.48 H new ATOM 0 HA MET A 32 -4.794 17.457 -3.721 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.315 17.123 -6.348 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.808 15.776 -5.342 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.549 17.739 -6.837 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.494 15.994 -6.988 1.00 0.55 H new ATOM 0 HE1 MET A 32 -7.124 14.846 -3.587 1.00 0.48 H new ATOM 0 HE2 MET A 32 -6.007 14.420 -4.904 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.442 15.425 -3.548 1.00 0.48 H new ATOM 730 N ARG A 33 -1.572 18.008 -4.083 1.00 0.39 N ATOM 731 CA ARG A 33 -0.273 17.787 -3.458 1.00 0.41 C ATOM 732 C ARG A 33 -0.231 18.379 -2.052 1.00 0.45 C ATOM 733 O ARG A 33 0.640 18.043 -1.255 1.00 0.60 O ATOM 734 CB ARG A 33 0.845 18.370 -4.320 1.00 0.49 C ATOM 735 CG ARG A 33 0.864 17.803 -5.726 1.00 0.90 C ATOM 736 CD ARG A 33 2.108 18.210 -6.491 1.00 0.71 C ATOM 737 NE ARG A 33 2.282 19.661 -6.561 1.00 0.77 N ATOM 738 CZ ARG A 33 2.111 20.382 -7.668 1.00 0.99 C ATOM 739 NH1 ARG A 33 1.595 19.827 -8.759 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.425 21.670 -7.675 1.00 1.03 N ATOM 0 H ARG A 33 -1.559 18.656 -4.871 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.120 16.711 -3.374 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.730 19.453 -4.372 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.805 18.174 -3.842 1.00 0.49 H new ATOM 0 HG2 ARG A 33 0.809 16.715 -5.678 1.00 0.90 H new ATOM 0 HG3 ARG A 33 -0.020 18.144 -6.265 1.00 0.90 H new ATOM 0 HD2 ARG A 33 2.983 17.766 -6.015 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.056 17.806 -7.502 1.00 0.71 H new ATOM 0 HE ARG A 33 2.551 20.152 -5.708 1.00 0.77 H new ATOM 0 HH11 ARG A 33 1.327 18.843 -8.753 1.00 1.87 H new ATOM 0 HH12 ARG A 33 1.467 20.385 -9.603 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.797 22.109 -6.833 1.00 1.03 H new ATOM 0 HH22 ARG A 33 2.294 22.222 -8.523 1.00 1.03 H new ATOM 754 N GLN A 34 -1.184 19.249 -1.744 1.00 0.41 N ATOM 755 CA GLN A 34 -1.281 19.826 -0.411 1.00 0.46 C ATOM 756 C GLN A 34 -2.158 18.960 0.483 1.00 0.47 C ATOM 757 O GLN A 34 -2.129 19.085 1.707 1.00 0.58 O ATOM 758 CB GLN A 34 -1.846 21.249 -0.476 1.00 0.51 C ATOM 759 CG GLN A 34 -0.988 22.218 -1.275 1.00 0.80 C ATOM 760 CD GLN A 34 0.406 22.392 -0.702 1.00 1.39 C ATOM 761 OE1 GLN A 34 0.642 23.265 0.133 1.00 1.88 O ATOM 762 NE2 GLN A 34 1.344 21.577 -1.160 1.00 1.97 N ATOM 0 H GLN A 34 -1.899 19.569 -2.397 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.278 19.868 0.013 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -2.843 21.214 -0.916 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -1.959 21.631 0.539 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -0.910 21.862 -2.302 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -1.483 23.188 -1.310 1.00 0.80 H new ATOM 0 HE21 GLN A 34 1.108 20.866 -1.852 1.00 1.97 H new ATOM 0 HE22 GLN A 34 2.302 21.660 -0.821 1.00 1.97 H new ATOM 771 N VAL A 35 -2.953 18.095 -0.128 1.00 0.42 N ATOM 772 CA VAL A 35 -3.798 17.172 0.613 1.00 0.42 C ATOM 773 C VAL A 35 -3.111 15.818 0.778 1.00 0.40 C ATOM 774 O VAL A 35 -2.799 15.395 1.892 1.00 0.44 O ATOM 775 CB VAL A 35 -5.153 16.976 -0.114 1.00 0.45 C ATOM 776 CG1 VAL A 35 -5.970 15.853 0.509 1.00 0.68 C ATOM 777 CG2 VAL A 35 -5.948 18.269 -0.106 1.00 0.65 C ATOM 0 H VAL A 35 -3.030 18.013 -1.142 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.976 17.601 1.599 1.00 0.42 H new ATOM 0 HB VAL A 35 -4.936 16.695 -1.145 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -6.912 15.747 -0.029 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.411 14.919 0.448 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.173 16.087 1.554 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -6.897 18.116 -0.620 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.138 18.573 0.923 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.381 19.048 -0.616 1.00 0.65 H new ATOM 787 N ILE A 36 -2.878 15.161 -0.354 1.00 0.38 N ATOM 788 CA ILE A 36 -2.339 13.802 -0.422 1.00 0.39 C ATOM 789 C ILE A 36 -1.137 13.548 0.500 1.00 0.46 C ATOM 790 O ILE A 36 -1.131 12.566 1.243 1.00 0.51 O ATOM 791 CB ILE A 36 -1.965 13.472 -1.867 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.150 13.790 -2.783 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.613 12.008 -1.966 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.907 13.511 -4.241 1.00 0.51 C ATOM 0 H ILE A 36 -3.062 15.566 -1.272 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.131 13.144 -0.063 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.107 14.069 -2.175 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -4.012 13.210 -2.454 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.410 14.842 -2.666 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -1.345 11.767 -2.995 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.769 11.792 -1.311 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.470 11.406 -1.664 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.799 13.765 -4.814 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.067 14.111 -4.591 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.679 12.454 -4.376 1.00 0.51 H new ATOM 806 N LYS A 37 -0.128 14.419 0.481 1.00 0.52 N ATOM 807 CA LYS A 37 1.097 14.140 1.237 1.00 0.67 C ATOM 808 C LYS A 37 0.982 14.588 2.697 1.00 0.66 C ATOM 809 O LYS A 37 1.916 14.419 3.480 1.00 0.79 O ATOM 810 CB LYS A 37 2.323 14.785 0.575 1.00 0.91 C ATOM 811 CG LYS A 37 2.337 16.295 0.643 1.00 0.75 C ATOM 812 CD LYS A 37 3.578 16.880 -0.007 1.00 0.94 C ATOM 813 CE LYS A 37 3.615 18.393 0.143 1.00 0.70 C ATOM 814 NZ LYS A 37 4.825 18.985 -0.475 1.00 0.97 N ATOM 0 H LYS A 37 -0.129 15.300 -0.033 1.00 0.52 H new ATOM 0 HA LYS A 37 1.231 13.058 1.229 1.00 0.67 H new ATOM 0 HB2 LYS A 37 3.225 14.402 1.053 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.362 14.478 -0.470 1.00 0.91 H new ATOM 0 HG2 LYS A 37 1.449 16.689 0.149 1.00 0.75 H new ATOM 0 HG3 LYS A 37 2.289 16.612 1.685 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.469 16.445 0.446 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.597 16.616 -1.064 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.726 18.824 -0.317 1.00 0.70 H new ATOM 0 HE3 LYS A 37 3.585 18.653 1.201 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 5.011 19.916 -0.051 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 5.640 18.360 -0.310 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.674 19.094 -1.498 1.00 0.97 H new ATOM 828 N LEU A 38 -0.163 15.148 3.061 1.00 0.63 N ATOM 829 CA LEU A 38 -0.408 15.552 4.443 1.00 0.70 C ATOM 830 C LEU A 38 -1.451 14.648 5.081 1.00 0.65 C ATOM 831 O LEU A 38 -1.836 14.837 6.234 1.00 0.91 O ATOM 832 CB LEU A 38 -0.858 17.017 4.541 1.00 0.82 C ATOM 833 CG LEU A 38 0.244 18.073 4.367 1.00 1.08 C ATOM 834 CD1 LEU A 38 1.482 17.706 5.169 1.00 2.08 C ATOM 835 CD2 LEU A 38 0.586 18.265 2.900 1.00 1.61 C ATOM 0 H LEU A 38 -0.936 15.334 2.422 1.00 0.63 H new ATOM 0 HA LEU A 38 0.535 15.456 4.981 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -1.624 17.192 3.786 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -1.328 17.168 5.513 1.00 0.82 H new ATOM 0 HG LEU A 38 -0.136 19.020 4.751 1.00 1.08 H new ATOM 0 HD11 LEU A 38 2.247 18.470 5.028 1.00 2.08 H new ATOM 0 HD12 LEU A 38 1.225 17.641 6.226 1.00 2.08 H new ATOM 0 HD13 LEU A 38 1.864 16.743 4.829 1.00 2.08 H new ATOM 0 HD21 LEU A 38 1.369 19.018 2.804 1.00 1.61 H new ATOM 0 HD22 LEU A 38 0.937 17.322 2.482 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -0.302 18.594 2.359 1.00 1.61 H new ATOM 847 N ALA A 39 -1.907 13.665 4.320 1.00 0.52 N ATOM 848 CA ALA A 39 -2.886 12.715 4.804 1.00 0.53 C ATOM 849 C ALA A 39 -2.197 11.581 5.545 1.00 0.60 C ATOM 850 O ALA A 39 -1.304 10.929 5.000 1.00 1.03 O ATOM 851 CB ALA A 39 -3.708 12.171 3.644 1.00 0.55 C ATOM 0 H ALA A 39 -1.609 13.507 3.357 1.00 0.52 H new ATOM 0 HA ALA A 39 -3.557 13.224 5.496 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.441 11.457 4.021 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.224 12.993 3.147 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.049 11.673 2.933 1.00 0.55 H new ATOM 857 N GLY A 40 -2.589 11.375 6.792 1.00 0.43 N ATOM 858 CA GLY A 40 -2.079 10.257 7.554 1.00 0.46 C ATOM 859 C GLY A 40 -2.548 8.943 6.972 1.00 0.46 C ATOM 860 O GLY A 40 -3.740 8.772 6.713 1.00 0.84 O ATOM 0 H GLY A 40 -3.254 11.965 7.291 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -0.989 10.286 7.563 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.409 10.338 8.590 1.00 0.46 H new ATOM 864 N VAL A 41 -1.624 8.024 6.766 1.00 0.44 N ATOM 865 CA VAL A 41 -1.939 6.767 6.111 1.00 0.45 C ATOM 866 C VAL A 41 -1.611 5.593 7.021 1.00 0.36 C ATOM 867 O VAL A 41 -0.488 5.464 7.508 1.00 0.41 O ATOM 868 CB VAL A 41 -1.179 6.608 4.775 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.617 5.339 4.058 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.385 7.823 3.881 1.00 1.30 C ATOM 0 H VAL A 41 -0.647 8.124 7.043 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.008 6.777 5.897 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.115 6.530 5.000 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.071 5.244 3.119 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.408 4.474 4.688 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.686 5.388 3.852 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.839 7.685 2.948 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.447 7.941 3.666 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -1.016 8.715 4.388 1.00 1.30 H new ATOM 880 N THR A 42 -2.600 4.751 7.255 1.00 0.31 N ATOM 881 CA THR A 42 -2.425 3.581 8.091 1.00 0.30 C ATOM 882 C THR A 42 -2.584 2.310 7.261 1.00 0.29 C ATOM 883 O THR A 42 -3.664 2.032 6.732 1.00 0.32 O ATOM 884 CB THR A 42 -3.440 3.582 9.248 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.446 4.868 9.884 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.097 2.514 10.274 1.00 0.45 C ATOM 0 H THR A 42 -3.540 4.858 6.874 1.00 0.31 H new ATOM 0 HA THR A 42 -1.419 3.609 8.511 1.00 0.30 H new ATOM 0 HB THR A 42 -4.426 3.366 8.838 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.094 4.866 10.619 1.00 0.40 H new ATOM 0 HG21 THR A 42 -3.830 2.536 11.081 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.111 1.534 9.798 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.104 2.705 10.680 1.00 0.45 H new ATOM 894 N LYS A 43 -1.498 1.560 7.129 1.00 0.31 N ATOM 895 CA LYS A 43 -1.504 0.318 6.364 1.00 0.35 C ATOM 896 C LYS A 43 -1.880 -0.846 7.268 1.00 0.33 C ATOM 897 O LYS A 43 -1.406 -0.935 8.399 1.00 0.41 O ATOM 898 CB LYS A 43 -0.128 0.079 5.733 1.00 0.50 C ATOM 899 CG LYS A 43 0.253 1.116 4.685 1.00 0.77 C ATOM 900 CD LYS A 43 -0.589 0.969 3.428 1.00 0.53 C ATOM 901 CE LYS A 43 -0.295 2.064 2.419 1.00 0.59 C ATOM 902 NZ LYS A 43 -1.027 1.853 1.141 1.00 0.79 N ATOM 0 H LYS A 43 -0.596 1.791 7.544 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.243 0.397 5.566 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.627 0.076 6.519 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.115 -0.910 5.274 1.00 0.50 H new ATOM 0 HG2 LYS A 43 0.123 2.117 5.097 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.308 1.010 4.433 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -0.398 -0.004 2.974 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.646 0.994 3.694 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.572 3.030 2.841 1.00 0.59 H new ATOM 0 HE3 LYS A 43 0.777 2.098 2.222 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.698 2.542 0.435 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -0.849 0.889 0.794 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -2.047 1.981 1.300 1.00 0.79 H new ATOM 916 N LYS A 44 -2.743 -1.726 6.780 1.00 0.31 N ATOM 917 CA LYS A 44 -3.230 -2.834 7.589 1.00 0.35 C ATOM 918 C LYS A 44 -3.180 -4.147 6.816 1.00 0.34 C ATOM 919 O LYS A 44 -4.066 -4.435 6.013 1.00 0.47 O ATOM 920 CB LYS A 44 -4.670 -2.574 8.032 1.00 0.44 C ATOM 921 CG LYS A 44 -4.866 -1.268 8.777 1.00 0.90 C ATOM 922 CD LYS A 44 -6.326 -1.051 9.134 1.00 0.88 C ATOM 923 CE LYS A 44 -6.535 0.261 9.866 1.00 1.39 C ATOM 924 NZ LYS A 44 -7.960 0.457 10.239 1.00 1.96 N ATOM 0 H LYS A 44 -3.119 -1.695 5.832 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.581 -2.913 8.462 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.315 -2.578 7.153 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -4.996 -3.396 8.670 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.264 -1.271 9.685 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.512 -0.440 8.163 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.928 -1.061 8.226 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.675 -1.875 9.757 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -5.917 0.280 10.764 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.206 1.087 9.235 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.070 1.371 10.723 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.548 0.446 9.381 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -8.261 -0.309 10.875 1.00 1.96 H new ATOM 938 N PHE A 45 -2.158 -4.945 7.081 1.00 0.29 N ATOM 939 CA PHE A 45 -2.046 -6.266 6.474 1.00 0.29 C ATOM 940 C PHE A 45 -2.380 -7.331 7.501 1.00 0.30 C ATOM 941 O PHE A 45 -1.847 -7.324 8.611 1.00 0.37 O ATOM 942 CB PHE A 45 -0.643 -6.518 5.920 1.00 0.32 C ATOM 943 CG PHE A 45 -0.309 -5.730 4.687 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.237 -4.456 4.790 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.548 -6.253 3.428 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.537 -3.726 3.659 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.250 -5.525 2.294 1.00 0.52 C ATOM 948 CZ PHE A 45 0.326 -4.280 2.407 1.00 0.54 C ATOM 0 H PHE A 45 -1.394 -4.703 7.712 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.751 -6.310 5.644 1.00 0.29 H new ATOM 0 HB2 PHE A 45 0.087 -6.283 6.695 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.540 -7.580 5.696 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.428 -4.034 5.765 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.972 -7.242 3.332 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.935 -2.726 3.749 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.469 -5.932 1.318 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.613 -3.735 1.520 1.00 0.54 H new ATOM 958 N ARG A 46 -3.261 -8.242 7.142 1.00 0.31 N ATOM 959 CA ARG A 46 -3.672 -9.292 8.055 1.00 0.33 C ATOM 960 C ARG A 46 -4.198 -10.492 7.285 1.00 0.31 C ATOM 961 O ARG A 46 -4.346 -10.437 6.071 1.00 0.33 O ATOM 962 CB ARG A 46 -4.759 -8.765 8.996 1.00 0.39 C ATOM 963 CG ARG A 46 -6.050 -8.400 8.278 1.00 0.50 C ATOM 964 CD ARG A 46 -7.050 -7.740 9.209 1.00 0.64 C ATOM 965 NE ARG A 46 -6.616 -6.406 9.622 1.00 1.51 N ATOM 966 CZ ARG A 46 -6.466 -6.027 10.890 1.00 2.03 C ATOM 967 NH1 ARG A 46 -6.679 -6.891 11.872 1.00 1.85 N ATOM 968 NH2 ARG A 46 -6.096 -4.783 11.172 1.00 3.17 N ATOM 0 H ARG A 46 -3.707 -8.278 6.225 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.806 -9.604 8.639 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -4.973 -9.520 9.752 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.382 -7.887 9.520 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.827 -7.727 7.450 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.493 -9.299 7.848 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -8.017 -7.669 8.711 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -7.191 -8.365 10.091 1.00 0.64 H new ATOM 0 HE ARG A 46 -6.415 -5.722 8.892 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -6.958 -7.848 11.657 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -6.564 -6.599 12.842 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -5.927 -4.118 10.417 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -5.981 -4.493 12.143 1.00 3.17 H new ATOM 982 N ASN A 47 -4.450 -11.575 7.999 1.00 0.33 N ATOM 983 CA ASN A 47 -5.171 -12.711 7.435 1.00 0.37 C ATOM 984 C ASN A 47 -6.592 -12.275 7.122 1.00 0.39 C ATOM 985 O ASN A 47 -7.099 -11.350 7.759 1.00 0.54 O ATOM 986 CB ASN A 47 -5.176 -13.890 8.409 1.00 0.50 C ATOM 987 CG ASN A 47 -3.884 -14.683 8.367 1.00 0.92 C ATOM 988 OD1 ASN A 47 -3.765 -15.649 7.613 1.00 1.85 O ATOM 989 ND2 ASN A 47 -2.906 -14.278 9.163 1.00 1.44 N ATOM 0 H ASN A 47 -4.167 -11.695 8.972 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.675 -13.040 6.522 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.339 -13.520 9.421 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -6.011 -14.549 8.172 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.013 -14.772 9.166 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.045 -13.472 9.773 1.00 1.44 H new ATOM 996 N ALA A 48 -7.231 -12.910 6.141 1.00 0.36 N ATOM 997 CA ALA A 48 -8.573 -12.516 5.725 1.00 0.41 C ATOM 998 C ALA A 48 -9.527 -12.487 6.907 1.00 0.64 C ATOM 999 O ALA A 48 -9.573 -13.414 7.717 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.082 -13.455 4.648 1.00 0.49 C ATOM 0 H ALA A 48 -6.841 -13.697 5.622 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.522 -11.507 5.316 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.084 -13.152 4.345 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.415 -13.416 3.787 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.113 -14.473 5.037 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.295 -11.411 6.964 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.082 -11.062 8.135 1.00 1.18 C ATOM 1008 C ALA A 49 -12.106 -12.128 8.492 1.00 1.17 C ATOM 1009 O ALA A 49 -12.332 -12.405 9.669 1.00 1.46 O ATOM 1010 CB ALA A 49 -11.763 -9.730 7.899 1.00 1.48 C ATOM 0 H ALA A 49 -10.390 -10.750 6.193 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.402 -10.990 8.984 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -12.355 -9.464 8.775 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.010 -8.962 7.723 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.416 -9.804 7.029 1.00 1.48 H new ATOM 1016 N SER A 50 -12.731 -12.723 7.482 1.00 1.12 N ATOM 1017 CA SER A 50 -13.719 -13.770 7.700 1.00 1.50 C ATOM 1018 C SER A 50 -13.041 -15.134 7.888 1.00 1.66 C ATOM 1019 O SER A 50 -13.678 -16.186 7.791 1.00 2.19 O ATOM 1020 CB SER A 50 -14.685 -13.794 6.506 1.00 1.77 C ATOM 1021 OG SER A 50 -15.737 -14.728 6.689 1.00 2.37 O ATOM 0 H SER A 50 -12.569 -12.496 6.501 1.00 1.12 H new ATOM 0 HA SER A 50 -14.277 -13.560 8.613 1.00 1.50 H new ATOM 0 HB2 SER A 50 -15.106 -12.799 6.361 1.00 1.77 H new ATOM 0 HB3 SER A 50 -14.134 -14.043 5.599 1.00 1.77 H new ATOM 0 HG SER A 50 -15.428 -15.461 7.261 1.00 2.37 H new ATOM 1027 N GLY A 51 -11.746 -15.112 8.173 1.00 1.42 N ATOM 1028 CA GLY A 51 -11.012 -16.340 8.399 1.00 1.68 C ATOM 1029 C GLY A 51 -10.879 -17.182 7.147 1.00 1.70 C ATOM 1030 O GLY A 51 -10.948 -18.410 7.202 1.00 1.91 O ATOM 0 H GLY A 51 -11.189 -14.261 8.252 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -10.018 -16.100 8.777 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -11.515 -16.922 9.171 1.00 1.68 H new ATOM 1034 N LYS A 52 -10.713 -16.523 6.011 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.517 -17.221 4.750 1.00 1.60 C ATOM 1036 C LYS A 52 -9.055 -17.630 4.602 1.00 1.44 C ATOM 1037 O LYS A 52 -8.168 -16.781 4.635 1.00 1.37 O ATOM 1038 CB LYS A 52 -10.943 -16.335 3.575 1.00 1.62 C ATOM 1039 CG LYS A 52 -12.397 -15.890 3.634 1.00 1.92 C ATOM 1040 CD LYS A 52 -12.752 -15.003 2.451 1.00 1.94 C ATOM 1041 CE LYS A 52 -14.208 -14.563 2.490 1.00 2.59 C ATOM 1042 NZ LYS A 52 -14.554 -13.688 1.335 1.00 3.17 N ATOM 0 H LYS A 52 -10.710 -15.506 5.936 1.00 1.54 H new ATOM 0 HA LYS A 52 -11.136 -18.118 4.747 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -10.304 -15.452 3.548 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -10.777 -16.878 2.644 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -13.047 -16.765 3.643 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -12.577 -15.349 4.563 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -12.107 -14.124 2.449 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -12.560 -15.541 1.523 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -14.853 -15.442 2.486 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -14.401 -14.030 3.421 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -15.565 -13.789 1.113 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -14.350 -12.697 1.577 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -13.989 -13.966 0.507 1.00 3.17 H new ATOM 1056 N PRO A 53 -8.787 -18.935 4.442 1.00 1.49 N ATOM 1057 CA PRO A 53 -7.422 -19.456 4.341 1.00 1.40 C ATOM 1058 C PRO A 53 -6.760 -19.071 3.024 1.00 1.15 C ATOM 1059 O PRO A 53 -7.422 -19.021 1.982 1.00 1.15 O ATOM 1060 CB PRO A 53 -7.610 -20.968 4.430 1.00 1.68 C ATOM 1061 CG PRO A 53 -8.978 -21.196 3.902 1.00 1.84 C ATOM 1062 CD PRO A 53 -9.791 -20.009 4.336 1.00 1.76 C ATOM 0 HA PRO A 53 -6.769 -19.054 5.116 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -6.862 -21.498 3.840 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -7.515 -21.321 5.457 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -8.967 -21.286 2.816 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -9.399 -22.122 4.294 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -10.567 -19.765 3.610 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -10.290 -20.189 5.288 1.00 1.76 H new ATOM 1070 N ASP A 54 -5.467 -18.750 3.105 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.655 -18.326 1.956 1.00 0.90 C ATOM 1072 C ASP A 54 -4.927 -16.860 1.657 1.00 0.68 C ATOM 1073 O ASP A 54 -4.007 -16.068 1.470 1.00 0.97 O ATOM 1074 CB ASP A 54 -4.897 -19.179 0.697 1.00 1.06 C ATOM 1075 CG ASP A 54 -4.376 -20.597 0.827 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -5.175 -21.510 1.119 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -3.153 -20.810 0.652 1.00 1.60 O ATOM 0 H ASP A 54 -4.945 -18.777 3.981 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.610 -18.469 2.229 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -5.966 -19.209 0.487 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -4.418 -18.700 -0.157 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.205 -16.523 1.590 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.643 -15.142 1.462 1.00 0.47 C ATOM 1084 C ARG A 55 -6.183 -14.288 2.638 1.00 0.41 C ATOM 1085 O ARG A 55 -6.256 -14.698 3.800 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.167 -15.087 1.344 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.687 -15.665 0.040 1.00 1.24 C ATOM 1088 CD ARG A 55 -8.372 -14.747 -1.128 1.00 1.87 C ATOM 1089 NE ARG A 55 -8.438 -15.440 -2.410 1.00 2.57 N ATOM 1090 CZ ARG A 55 -8.675 -14.833 -3.572 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -9.025 -13.550 -3.598 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -8.592 -15.520 -4.703 1.00 4.10 N ATOM 0 H ARG A 55 -6.968 -17.199 1.623 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.189 -14.734 0.559 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.609 -15.632 2.178 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.495 -14.051 1.431 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -8.239 -16.644 -0.132 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -9.764 -15.815 0.109 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -9.074 -13.913 -1.132 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -7.376 -14.324 -0.997 1.00 1.87 H new ATOM 0 HE ARG A 55 -8.294 -16.450 -2.417 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -9.113 -13.028 -2.726 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -9.206 -13.089 -4.490 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -8.347 -16.510 -4.682 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -8.773 -15.059 -5.594 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.697 -13.103 2.319 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.318 -12.127 3.319 1.00 0.32 C ATOM 1108 C TYR A 56 -6.118 -10.846 3.121 1.00 0.33 C ATOM 1109 O TYR A 56 -6.745 -10.655 2.081 1.00 0.41 O ATOM 1110 CB TYR A 56 -3.815 -11.840 3.250 1.00 0.34 C ATOM 1111 CG TYR A 56 -2.959 -12.902 3.910 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.610 -14.056 3.222 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.498 -12.754 5.211 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.829 -15.029 3.808 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.714 -13.726 5.806 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.393 -14.840 5.144 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.608 -15.836 5.682 1.00 0.97 O ATOM 0 H TYR A 56 -5.554 -12.791 1.358 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.540 -12.531 4.307 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.520 -11.746 2.205 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.616 -10.879 3.725 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.957 -14.194 2.209 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -2.756 -11.865 5.768 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.554 -15.918 3.260 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.358 -13.582 6.816 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.366 -15.601 6.602 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.099 -9.982 4.116 1.00 0.32 N ATOM 1128 CA ASP A 57 -6.873 -8.752 4.084 1.00 0.34 C ATOM 1129 C ASP A 57 -5.951 -7.545 4.196 1.00 0.29 C ATOM 1130 O ASP A 57 -4.980 -7.565 4.955 1.00 0.32 O ATOM 1131 CB ASP A 57 -7.895 -8.753 5.224 1.00 0.43 C ATOM 1132 CG ASP A 57 -8.740 -7.498 5.265 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.386 -6.563 6.008 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -9.753 -7.432 4.537 1.00 0.99 O ATOM 0 H ASP A 57 -5.550 -10.109 4.966 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.405 -8.691 3.134 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.547 -9.620 5.118 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.371 -8.862 6.174 1.00 0.43 H new ATOM 1139 N MET A 58 -6.252 -6.505 3.433 1.00 0.27 N ATOM 1140 CA MET A 58 -5.431 -5.300 3.409 1.00 0.26 C ATOM 1141 C MET A 58 -6.312 -4.064 3.416 1.00 0.27 C ATOM 1142 O MET A 58 -7.300 -3.998 2.691 1.00 0.33 O ATOM 1143 CB MET A 58 -4.520 -5.298 2.175 1.00 0.30 C ATOM 1144 CG MET A 58 -3.886 -3.953 1.858 1.00 0.51 C ATOM 1145 SD MET A 58 -2.935 -3.279 3.225 1.00 0.98 S ATOM 1146 CE MET A 58 -2.346 -1.769 2.477 1.00 0.36 C ATOM 0 H MET A 58 -7.065 -6.470 2.817 1.00 0.27 H new ATOM 0 HA MET A 58 -4.805 -5.288 4.301 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.728 -6.032 2.323 1.00 0.30 H new ATOM 0 HB3 MET A 58 -5.100 -5.624 1.311 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.236 -4.061 0.990 1.00 0.51 H new ATOM 0 HG3 MET A 58 -4.668 -3.245 1.584 1.00 0.51 H new ATOM 0 HE1 MET A 58 -1.257 -1.745 2.515 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.674 -1.725 1.439 1.00 0.36 H new ATOM 0 HE3 MET A 58 -2.747 -0.913 3.021 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.961 -3.090 4.232 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.733 -1.868 4.319 1.00 0.32 C ATOM 1158 C GLU A 59 -5.817 -0.657 4.267 1.00 0.31 C ATOM 1159 O GLU A 59 -4.754 -0.637 4.891 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.576 -1.866 5.597 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.518 -0.680 5.724 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.398 -0.776 6.951 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -10.222 -1.709 7.022 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -9.271 0.077 7.855 1.00 1.11 O ATOM 0 H GLU A 59 -5.146 -3.122 4.844 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.408 -1.816 3.465 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.161 -2.785 5.634 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -6.908 -1.878 6.459 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -7.936 0.241 5.768 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -9.144 -0.619 4.834 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.231 0.343 3.505 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.444 1.549 3.328 1.00 0.42 C ATOM 1173 C ASN A 60 -6.237 2.726 3.875 1.00 0.46 C ATOM 1174 O ASN A 60 -7.032 3.336 3.156 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.118 1.815 1.844 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.585 0.608 1.074 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -4.907 -0.542 1.363 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -3.790 0.870 0.050 1.00 1.02 N ATOM 0 H ASN A 60 -7.115 0.341 2.996 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.501 1.422 3.860 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.020 2.174 1.348 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.382 2.617 1.787 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -3.428 0.108 -0.523 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -3.539 1.835 -0.167 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.048 3.020 5.149 1.00 0.38 N ATOM 1186 CA LEU A 61 -6.785 4.089 5.802 1.00 0.39 C ATOM 1187 C LEU A 61 -6.028 5.402 5.684 1.00 0.39 C ATOM 1188 O LEU A 61 -4.803 5.429 5.805 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.000 3.740 7.275 1.00 0.42 C ATOM 1190 CG LEU A 61 -7.712 4.806 8.106 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -9.150 4.983 7.642 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -7.660 4.443 9.581 1.00 1.66 C ATOM 0 H LEU A 61 -5.388 2.532 5.754 1.00 0.38 H new ATOM 0 HA LEU A 61 -7.753 4.201 5.313 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -7.575 2.816 7.331 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -6.029 3.539 7.728 1.00 0.42 H new ATOM 0 HG LEU A 61 -7.197 5.756 7.965 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.637 5.747 8.248 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -9.160 5.289 6.596 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.685 4.040 7.749 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -8.171 5.210 10.163 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -8.151 3.482 9.737 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -6.621 4.375 9.903 1.00 1.66 H new ATOM 1204 N THR A 62 -6.748 6.487 5.436 1.00 0.34 N ATOM 1205 CA THR A 62 -6.142 7.796 5.352 1.00 0.35 C ATOM 1206 C THR A 62 -7.029 8.808 6.060 1.00 0.37 C ATOM 1207 O THR A 62 -7.924 8.433 6.817 1.00 0.43 O ATOM 1208 CB THR A 62 -5.910 8.249 3.892 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.159 8.440 3.223 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.089 7.232 3.119 1.00 0.45 C ATOM 0 H THR A 62 -7.757 6.480 5.290 1.00 0.34 H new ATOM 0 HA THR A 62 -5.166 7.736 5.833 1.00 0.35 H new ATOM 0 HB THR A 62 -5.362 9.190 3.929 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.083 9.190 2.597 1.00 0.34 H new ATOM 0 HG21 THR A 62 -4.945 7.582 2.097 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.119 7.106 3.600 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.613 6.276 3.105 1.00 0.45 H new ATOM 1218 N THR A 63 -6.794 10.078 5.810 1.00 0.42 N ATOM 1219 CA THR A 63 -7.591 11.125 6.417 1.00 0.46 C ATOM 1220 C THR A 63 -8.728 11.542 5.494 1.00 0.46 C ATOM 1221 O THR A 63 -9.816 11.908 5.945 1.00 0.54 O ATOM 1222 CB THR A 63 -6.713 12.342 6.734 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.166 12.878 5.523 1.00 0.52 O ATOM 1224 CG2 THR A 63 -5.580 11.941 7.655 1.00 0.50 C ATOM 0 H THR A 63 -6.056 10.412 5.190 1.00 0.42 H new ATOM 0 HA THR A 63 -8.016 10.735 7.342 1.00 0.46 H new ATOM 0 HB THR A 63 -7.328 13.097 7.223 1.00 0.50 H new ATOM 0 HG1 THR A 63 -5.742 13.742 5.710 1.00 0.52 H new ATOM 0 HG21 THR A 63 -4.963 12.813 7.874 1.00 0.50 H new ATOM 0 HG22 THR A 63 -5.989 11.544 8.584 1.00 0.50 H new ATOM 0 HG23 THR A 63 -4.971 11.177 7.171 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.477 11.447 4.197 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.407 11.951 3.199 1.00 0.50 C ATOM 1234 C LYS A 64 -10.097 10.822 2.449 1.00 0.49 C ATOM 1235 O LYS A 64 -11.057 11.056 1.718 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.666 12.857 2.211 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.284 14.212 2.785 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.514 15.031 3.138 1.00 0.88 C ATOM 1239 CE LYS A 64 -9.146 16.433 3.600 1.00 1.64 C ATOM 1240 NZ LYS A 64 -10.347 17.214 3.994 1.00 2.24 N ATOM 0 H LYS A 64 -7.633 11.024 3.810 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.176 12.522 3.718 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -7.763 12.348 1.874 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.293 13.009 1.332 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.671 14.072 3.675 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.677 14.757 2.062 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -10.170 15.095 2.270 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -10.074 14.525 3.924 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -8.460 16.370 4.445 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -8.620 16.954 2.800 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -10.057 18.164 4.303 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -10.990 17.296 3.181 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -10.835 16.730 4.774 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.617 9.601 2.627 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.178 8.468 1.914 1.00 0.49 C ATOM 1256 C LYS A 65 -10.215 7.230 2.803 1.00 0.52 C ATOM 1257 O LYS A 65 -10.230 7.337 4.031 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.373 8.207 0.638 1.00 0.73 C ATOM 1259 CG LYS A 65 -10.230 7.753 -0.535 1.00 1.18 C ATOM 1260 CD LYS A 65 -11.159 8.862 -1.006 1.00 1.22 C ATOM 1261 CE LYS A 65 -12.147 8.368 -2.049 1.00 1.36 C ATOM 1262 NZ LYS A 65 -13.169 7.456 -1.471 1.00 1.82 N ATOM 0 H LYS A 65 -8.846 9.372 3.254 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.206 8.702 1.635 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.842 9.117 0.360 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -8.618 7.448 0.842 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -9.587 7.441 -1.358 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -10.818 6.883 -0.243 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.704 9.266 -0.153 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -10.568 9.678 -1.423 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -12.644 9.222 -2.509 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -11.607 7.849 -2.841 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -13.915 7.280 -2.174 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -12.721 6.555 -1.208 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -13.587 7.894 -0.626 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.163 6.073 2.162 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.408 4.780 2.809 1.00 0.39 C ATOM 1278 C ASP A 66 -10.590 3.696 1.758 1.00 0.43 C ATOM 1279 O ASP A 66 -11.403 3.840 0.845 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.658 4.824 3.695 1.00 0.57 C ATOM 1281 CG ASP A 66 -11.918 3.517 4.420 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -12.579 2.625 3.841 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -11.482 3.380 5.581 1.00 2.12 O ATOM 0 H ASP A 66 -9.948 5.997 1.168 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.543 4.557 3.433 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.549 5.624 4.427 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -12.524 5.070 3.080 1.00 0.57 H new ATOM 1288 N THR A 67 -9.826 2.628 1.877 1.00 0.35 N ATOM 1289 CA THR A 67 -9.968 1.471 1.000 1.00 0.32 C ATOM 1290 C THR A 67 -9.815 0.200 1.812 1.00 0.26 C ATOM 1291 O THR A 67 -9.069 0.178 2.791 1.00 0.30 O ATOM 1292 CB THR A 67 -8.918 1.453 -0.129 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.612 1.592 0.421 1.00 0.38 O ATOM 1294 CG2 THR A 67 -9.152 2.555 -1.135 1.00 0.56 C ATOM 0 H THR A 67 -9.092 2.533 2.579 1.00 0.35 H new ATOM 0 HA THR A 67 -10.956 1.535 0.545 1.00 0.32 H new ATOM 0 HB THR A 67 -9.011 0.497 -0.645 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.971 1.770 -0.299 1.00 0.38 H new ATOM 0 HG21 THR A 67 -8.390 2.506 -1.913 1.00 0.56 H new ATOM 0 HG22 THR A 67 -10.138 2.434 -1.585 1.00 0.56 H new ATOM 0 HG23 THR A 67 -9.098 3.522 -0.635 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.493 -0.855 1.405 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.418 -2.109 2.126 1.00 0.23 C ATOM 1304 C HIS A 68 -10.399 -3.273 1.140 1.00 0.22 C ATOM 1305 O HIS A 68 -11.440 -3.707 0.650 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.594 -2.245 3.101 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.418 -3.341 4.109 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.261 -3.525 5.182 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -10.485 -4.315 4.201 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -11.853 -4.562 5.888 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -10.778 -5.059 5.312 1.00 1.95 N ATOM 0 H HIS A 68 -11.098 -0.869 0.584 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.496 -2.125 2.707 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.731 -1.299 3.626 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.506 -2.429 2.533 1.00 0.32 H new ATOM 0 HD1 HIS A 68 -13.075 -2.949 5.398 1.00 1.05 H new ATOM 0 HD2 HIS A 68 -9.660 -4.476 3.523 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -12.321 -4.939 6.785 1.00 1.69 H new ATOM 1320 N HIS A 69 -9.205 -3.769 0.861 1.00 0.23 N ATOM 1321 CA HIS A 69 -9.028 -4.899 -0.041 1.00 0.26 C ATOM 1322 C HIS A 69 -9.402 -6.189 0.681 1.00 0.29 C ATOM 1323 O HIS A 69 -8.550 -6.852 1.276 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.580 -4.978 -0.536 1.00 0.32 C ATOM 1325 CG HIS A 69 -7.080 -3.726 -1.199 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.829 -2.979 -2.082 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.882 -3.103 -1.108 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -7.110 -1.957 -2.507 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.922 -2.007 -1.933 1.00 0.39 N ATOM 0 H HIS A 69 -8.335 -3.404 1.249 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.678 -4.762 -0.906 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.932 -5.210 0.309 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.494 -5.806 -1.240 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.788 -3.184 -2.363 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -5.047 -3.412 -0.497 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.439 -1.204 -3.208 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -5.162 -1.343 -2.078 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.687 -6.503 0.659 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.230 -7.643 1.378 1.00 0.37 C ATOM 1340 C LYS A 70 -10.837 -8.978 0.744 1.00 0.31 C ATOM 1341 O LYS A 70 -11.195 -9.260 -0.402 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.743 -7.503 1.419 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.160 -6.060 1.582 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.595 -5.928 2.006 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.884 -4.507 2.432 1.00 1.43 C ATOM 1346 NZ LYS A 70 -14.989 -3.576 1.273 1.00 2.30 N ATOM 0 H LYS A 70 -11.386 -5.972 0.139 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.814 -7.647 2.385 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.172 -7.906 0.501 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -13.142 -8.094 2.243 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -12.519 -5.580 2.321 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.011 -5.532 0.640 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.252 -6.210 1.183 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.803 -6.612 2.829 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -15.814 -4.483 2.999 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.094 -4.163 3.100 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.188 -2.615 1.617 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -14.093 -3.577 0.745 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -15.760 -3.886 0.647 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.072 -9.764 1.508 1.00 0.33 N ATOM 1361 CA ASP A 71 -9.677 -11.138 1.159 1.00 0.37 C ATOM 1362 C ASP A 71 -9.125 -11.266 -0.263 1.00 0.33 C ATOM 1363 O ASP A 71 -9.812 -11.659 -1.210 1.00 0.42 O ATOM 1364 CB ASP A 71 -10.787 -12.175 1.441 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.090 -11.972 0.685 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -12.223 -12.502 -0.438 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -12.957 -11.220 1.171 1.00 2.07 O ATOM 0 H ASP A 71 -9.700 -9.458 2.407 1.00 0.33 H new ATOM 0 HA ASP A 71 -8.851 -11.374 1.830 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -10.401 -13.166 1.202 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.004 -12.166 2.509 1.00 0.51 H new ATOM 1372 N TRP A 72 -7.853 -10.951 -0.384 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.127 -11.085 -1.631 1.00 0.30 C ATOM 1374 C TRP A 72 -6.044 -12.139 -1.477 1.00 0.31 C ATOM 1375 O TRP A 72 -5.687 -12.512 -0.360 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.483 -9.753 -2.012 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.659 -9.171 -0.904 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.080 -8.291 0.045 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.278 -9.433 -0.620 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.054 -7.998 0.903 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -3.938 -8.681 0.514 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.292 -10.229 -1.207 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.662 -8.704 1.065 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.030 -10.239 -0.644 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.731 -9.483 0.476 1.00 0.43 C ATOM 0 H TRP A 72 -7.288 -10.592 0.386 1.00 0.29 H new ATOM 0 HA TRP A 72 -7.824 -11.382 -2.415 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -5.854 -9.896 -2.890 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.262 -9.044 -2.291 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.078 -7.883 0.112 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.114 -7.370 1.704 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.511 -10.824 -2.082 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.423 -8.116 1.939 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.259 -10.851 -1.088 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.733 -9.517 0.887 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.539 -12.635 -2.588 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.396 -13.521 -2.563 1.00 0.50 C ATOM 1398 C ALA A 73 -3.322 -12.979 -3.483 1.00 0.48 C ATOM 1399 O ALA A 73 -3.622 -12.267 -4.435 1.00 0.42 O ATOM 1400 CB ALA A 73 -4.812 -14.917 -2.993 1.00 0.55 C ATOM 0 H ALA A 73 -5.903 -12.439 -3.520 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.000 -13.578 -1.549 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -3.945 -15.578 -2.971 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -5.574 -15.296 -2.312 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.216 -14.881 -4.005 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.069 -13.265 -3.183 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.003 -12.925 -4.105 1.00 0.67 C ATOM 1408 C LEU A 74 -1.147 -13.733 -5.397 1.00 0.57 C ATOM 1409 O LEU A 74 -1.599 -14.881 -5.393 1.00 0.56 O ATOM 1410 CB LEU A 74 0.411 -13.073 -3.491 1.00 0.95 C ATOM 1411 CG LEU A 74 0.652 -14.203 -2.472 1.00 0.68 C ATOM 1412 CD1 LEU A 74 0.168 -13.805 -1.082 1.00 1.28 C ATOM 1413 CD2 LEU A 74 -0.009 -15.494 -2.920 1.00 1.71 C ATOM 0 H LEU A 74 -1.768 -13.724 -2.323 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.106 -11.865 -4.338 1.00 0.67 H new ATOM 0 HB2 LEU A 74 1.116 -13.209 -4.311 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.663 -12.130 -3.007 1.00 0.95 H new ATOM 0 HG LEU A 74 1.727 -14.373 -2.419 1.00 0.68 H new ATOM 0 HD11 LEU A 74 0.352 -14.623 -0.385 1.00 1.28 H new ATOM 0 HD12 LEU A 74 0.706 -12.917 -0.750 1.00 1.28 H new ATOM 0 HD13 LEU A 74 -0.900 -13.590 -1.116 1.00 1.28 H new ATOM 0 HD21 LEU A 74 0.178 -16.274 -2.182 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -1.083 -15.338 -3.019 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.403 -15.799 -3.882 1.00 1.71 H new ATOM 1425 N GLY A 75 -0.789 -13.100 -6.493 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.037 -13.652 -7.806 1.00 0.56 C ATOM 1427 C GLY A 75 -2.458 -13.386 -8.276 1.00 0.51 C ATOM 1428 O GLY A 75 -2.788 -13.618 -9.438 1.00 0.59 O ATOM 0 H GLY A 75 -0.321 -12.194 -6.499 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.333 -13.223 -8.519 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -0.856 -14.727 -7.788 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.291 -12.879 -7.376 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.704 -12.667 -7.661 1.00 0.40 C ATOM 1434 C GLU A 76 -4.960 -11.218 -8.068 1.00 0.36 C ATOM 1435 O GLU A 76 -4.264 -10.298 -7.631 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.545 -13.046 -6.429 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.034 -12.740 -6.542 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.746 -13.596 -7.570 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -7.649 -13.292 -8.774 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.413 -14.575 -7.175 1.00 1.59 O ATOM 0 H GLU A 76 -3.009 -12.605 -6.435 1.00 0.42 H new ATOM 0 HA GLU A 76 -4.996 -13.304 -8.495 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.423 -14.112 -6.239 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.147 -12.520 -5.561 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.503 -12.888 -5.569 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.163 -11.689 -6.802 1.00 0.92 H new ATOM 1447 N GLU A 77 -5.972 -11.040 -8.898 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.372 -9.729 -9.378 1.00 0.43 C ATOM 1449 C GLU A 77 -7.869 -9.563 -9.162 1.00 0.44 C ATOM 1450 O GLU A 77 -8.667 -10.374 -9.637 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.031 -9.568 -10.859 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.576 -8.285 -11.469 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.138 -8.092 -12.901 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.350 -7.159 -13.170 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -6.574 -8.875 -13.766 1.00 0.90 O ATOM 0 H GLU A 77 -6.542 -11.804 -9.260 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.831 -8.962 -8.824 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -4.948 -9.587 -10.979 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.428 -10.421 -11.410 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.665 -8.300 -11.425 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -6.244 -7.434 -10.874 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.242 -8.527 -8.438 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.633 -8.295 -8.085 1.00 0.41 C ATOM 1464 C PHE A 78 -10.006 -6.853 -8.371 1.00 0.42 C ATOM 1465 O PHE A 78 -9.142 -5.987 -8.430 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.858 -8.611 -6.602 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.996 -7.807 -5.667 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.730 -8.247 -5.317 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.455 -6.611 -5.139 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.937 -7.511 -4.459 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.668 -5.871 -4.281 1.00 0.57 C ATOM 1472 CZ PHE A 78 -7.404 -6.325 -3.939 1.00 0.52 C ATOM 0 H PHE A 78 -7.596 -7.825 -8.078 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.265 -8.950 -8.685 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.905 -8.433 -6.358 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.668 -9.671 -6.434 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.358 -9.177 -5.720 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.440 -6.254 -5.402 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.951 -7.865 -4.196 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -9.036 -4.940 -3.877 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.786 -5.749 -3.266 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.287 -6.593 -8.553 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.745 -5.233 -8.761 1.00 0.51 C ATOM 1484 C GLN A 79 -12.125 -4.621 -7.419 1.00 0.50 C ATOM 1485 O GLN A 79 -12.688 -5.300 -6.557 1.00 0.54 O ATOM 1486 CB GLN A 79 -12.924 -5.192 -9.733 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.285 -3.784 -10.186 1.00 1.00 C ATOM 1488 CD GLN A 79 -14.352 -3.760 -11.263 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -14.398 -4.799 -12.083 1.00 1.95 O flip ATOM 1490 NE2 GLN A 79 -15.127 -2.808 -11.359 1.00 1.94 N flip ATOM 0 H GLN A 79 -12.023 -7.299 -8.561 1.00 0.46 H new ATOM 0 HA GLN A 79 -10.938 -4.650 -9.206 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -12.686 -5.797 -10.608 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.793 -5.647 -9.258 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.632 -3.210 -9.327 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.389 -3.288 -10.560 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -15.058 -2.027 -10.707 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -15.838 -2.801 -12.091 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.824 -3.345 -7.251 1.00 0.49 N ATOM 1500 CA ASP A 80 -12.007 -2.676 -5.968 1.00 0.49 C ATOM 1501 C ASP A 80 -11.961 -1.172 -6.176 1.00 0.52 C ATOM 1502 O ASP A 80 -11.464 -0.704 -7.203 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.897 -3.102 -5.001 1.00 0.63 C ATOM 1504 CG ASP A 80 -11.227 -2.830 -3.543 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.374 -3.129 -2.679 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -12.343 -2.343 -3.246 1.00 1.26 O ATOM 0 H ASP A 80 -11.450 -2.747 -7.988 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.972 -2.954 -5.545 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.703 -4.167 -5.129 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.978 -2.577 -5.261 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.453 -0.418 -5.207 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.460 1.029 -5.314 1.00 0.65 C ATOM 1513 C GLU A 81 -11.282 1.594 -4.548 1.00 0.63 C ATOM 1514 O GLU A 81 -11.184 1.461 -3.329 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.769 1.632 -4.805 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.917 3.103 -5.169 1.00 1.64 C ATOM 1517 CD GLU A 81 -15.179 3.726 -4.620 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -16.240 3.600 -5.267 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -15.116 4.356 -3.547 1.00 1.81 O ATOM 0 H GLU A 81 -12.851 -0.783 -4.342 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.375 1.294 -6.368 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.608 1.073 -5.220 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.818 1.523 -3.722 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -13.054 3.653 -4.793 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -13.911 3.205 -6.254 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.383 2.199 -5.293 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.137 2.688 -4.748 1.00 0.67 C ATOM 1528 C ALA A 82 -9.294 4.056 -4.102 1.00 0.60 C ATOM 1529 O ALA A 82 -10.358 4.677 -4.166 1.00 0.59 O ATOM 1530 CB ALA A 82 -8.087 2.727 -5.835 1.00 0.95 C ATOM 0 H ALA A 82 -10.496 2.365 -6.293 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.820 2.002 -3.963 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -7.149 3.096 -5.421 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -7.938 1.723 -6.233 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -8.416 3.390 -6.635 1.00 0.95 H new ATOM 1536 N LEU A 83 -8.219 4.514 -3.472 1.00 0.60 N ATOM 1537 CA LEU A 83 -8.196 5.803 -2.792 1.00 0.58 C ATOM 1538 C LEU A 83 -8.371 6.943 -3.787 1.00 0.59 C ATOM 1539 O LEU A 83 -8.709 8.064 -3.415 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.874 5.949 -2.034 1.00 0.66 C ATOM 1541 CG LEU A 83 -6.638 4.896 -0.948 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -5.157 4.705 -0.694 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -7.338 5.296 0.338 1.00 1.34 C ATOM 0 H LEU A 83 -7.338 4.002 -3.418 1.00 0.60 H new ATOM 0 HA LEU A 83 -9.025 5.849 -2.086 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -6.054 5.902 -2.750 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -6.841 6.937 -1.576 1.00 0.66 H new ATOM 0 HG LEU A 83 -7.053 3.951 -1.298 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -5.015 3.952 0.081 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -4.670 4.377 -1.612 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -4.719 5.648 -0.368 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -7.161 4.537 1.100 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.948 6.254 0.682 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -8.409 5.385 0.157 1.00 1.34 H new ATOM 1555 N ASP A 84 -8.160 6.628 -5.057 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.297 7.596 -6.139 1.00 0.67 C ATOM 1557 C ASP A 84 -9.760 7.846 -6.504 1.00 0.69 C ATOM 1558 O ASP A 84 -10.051 8.493 -7.510 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.522 7.130 -7.373 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.871 5.706 -7.793 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -6.950 4.927 -8.106 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -9.073 5.357 -7.805 1.00 1.39 O ATOM 0 H ASP A 84 -7.889 5.695 -5.368 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.879 8.538 -5.784 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.727 7.808 -8.202 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -6.453 7.191 -7.168 1.00 0.70 H new ATOM 1567 N SER A 85 -10.666 7.309 -5.687 1.00 0.67 N ATOM 1568 CA SER A 85 -12.106 7.541 -5.820 1.00 0.74 C ATOM 1569 C SER A 85 -12.710 6.786 -7.007 1.00 0.77 C ATOM 1570 O SER A 85 -13.901 6.917 -7.289 1.00 1.09 O ATOM 1571 CB SER A 85 -12.406 9.040 -5.938 1.00 0.84 C ATOM 1572 OG SER A 85 -11.768 9.773 -4.902 1.00 1.21 O ATOM 0 H SER A 85 -10.421 6.697 -4.909 1.00 0.67 H new ATOM 0 HA SER A 85 -12.573 7.153 -4.915 1.00 0.74 H new ATOM 0 HB2 SER A 85 -12.068 9.406 -6.908 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.483 9.203 -5.893 1.00 0.84 H new ATOM 0 HG SER A 85 -11.974 10.726 -5.001 1.00 1.21 H new ATOM 1578 N THR A 86 -11.900 5.996 -7.697 1.00 0.67 N ATOM 1579 CA THR A 86 -12.400 5.180 -8.790 1.00 0.67 C ATOM 1580 C THR A 86 -12.164 3.709 -8.500 1.00 0.66 C ATOM 1581 O THR A 86 -11.323 3.357 -7.669 1.00 0.76 O ATOM 1582 CB THR A 86 -11.746 5.548 -10.139 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.323 5.667 -10.004 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.324 6.843 -10.684 1.00 0.93 C ATOM 0 H THR A 86 -10.900 5.904 -7.520 1.00 0.67 H new ATOM 0 HA THR A 86 -13.469 5.376 -8.871 1.00 0.67 H new ATOM 0 HB THR A 86 -11.963 4.744 -10.842 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.042 5.282 -9.148 1.00 0.86 H new ATOM 0 HG21 THR A 86 -11.848 7.082 -11.635 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.397 6.727 -10.834 1.00 0.93 H new ATOM 0 HG23 THR A 86 -12.142 7.650 -9.974 1.00 0.93 H new ATOM 1592 N GLN A 87 -12.892 2.843 -9.181 1.00 0.68 N ATOM 1593 CA GLN A 87 -12.727 1.423 -8.967 1.00 0.76 C ATOM 1594 C GLN A 87 -12.181 0.761 -10.206 1.00 0.66 C ATOM 1595 O GLN A 87 -12.698 0.932 -11.310 1.00 0.89 O ATOM 1596 CB GLN A 87 -14.023 0.751 -8.527 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.226 1.063 -9.392 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.474 0.374 -8.883 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.545 0.179 -7.573 1.00 1.88 O flip ATOM 1600 NE2 GLN A 87 -17.363 0.021 -9.658 1.00 1.33 N flip ATOM 0 H GLN A 87 -13.593 3.096 -9.877 1.00 0.68 H new ATOM 0 HA GLN A 87 -12.010 1.301 -8.155 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -13.871 -0.328 -8.517 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -14.242 1.052 -7.502 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.389 2.141 -9.415 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -15.029 0.749 -10.417 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -17.265 0.192 -10.659 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -18.198 -0.443 -9.299 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.135 -0.007 -10.005 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.412 -0.615 -11.095 1.00 0.53 C ATOM 1611 C HIS A 88 -9.818 -1.935 -10.652 1.00 0.49 C ATOM 1612 O HIS A 88 -9.908 -2.290 -9.476 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.321 0.327 -11.612 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.595 1.093 -10.548 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -7.758 0.500 -9.626 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.596 2.418 -10.259 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.281 1.429 -8.814 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.770 2.597 -9.180 1.00 0.97 N ATOM 0 H HIS A 88 -10.763 -0.227 -9.081 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.107 -0.805 -11.913 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -8.595 -0.257 -12.179 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -9.772 1.036 -12.306 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.145 3.188 -10.781 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.604 1.259 -7.990 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.566 3.491 -8.732 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.207 -2.658 -11.581 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.670 -3.966 -11.261 1.00 0.49 C ATOM 1629 C LYS A 89 -7.339 -3.813 -10.544 1.00 0.45 C ATOM 1630 O LYS A 89 -6.538 -2.927 -10.859 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.555 -4.851 -12.512 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.473 -4.451 -13.501 1.00 1.06 C ATOM 1633 CD LYS A 89 -7.662 -5.176 -14.826 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.474 -4.991 -15.755 1.00 1.15 C ATOM 1635 NZ LYS A 89 -5.370 -5.939 -15.448 1.00 1.49 N ATOM 0 H LYS A 89 -9.074 -2.363 -12.548 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.362 -4.475 -10.590 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.370 -5.877 -12.194 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -9.515 -4.846 -13.029 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -7.501 -3.373 -13.663 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -6.492 -4.686 -13.089 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -7.812 -6.239 -14.638 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -8.564 -4.808 -15.315 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -6.796 -5.132 -16.787 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -6.106 -3.968 -15.673 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -4.495 -5.613 -15.906 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -5.227 -5.984 -14.419 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -5.615 -6.885 -15.805 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.142 -4.647 -9.550 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.002 -4.548 -8.669 1.00 0.35 C ATOM 1651 C ILE A 90 -5.385 -5.916 -8.450 1.00 0.34 C ATOM 1652 O ILE A 90 -6.070 -6.866 -8.073 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.412 -3.938 -7.310 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.774 -2.458 -7.484 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.301 -4.116 -6.286 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.244 -1.786 -6.214 1.00 0.54 C ATOM 0 H ILE A 90 -7.772 -5.418 -9.328 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.267 -3.895 -9.139 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.292 -4.463 -6.939 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.903 -1.924 -7.865 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.556 -2.372 -8.239 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.609 -3.680 -5.336 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -5.099 -5.178 -6.149 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.398 -3.617 -6.638 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.480 -0.742 -6.421 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -8.134 -2.293 -5.842 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.457 -1.838 -5.462 1.00 0.54 H new ATOM 1668 N THR A 91 -4.098 -6.014 -8.700 1.00 0.30 N ATOM 1669 CA THR A 91 -3.386 -7.256 -8.513 1.00 0.30 C ATOM 1670 C THR A 91 -2.445 -7.157 -7.319 1.00 0.28 C ATOM 1671 O THR A 91 -1.708 -6.177 -7.174 1.00 0.31 O ATOM 1672 CB THR A 91 -2.571 -7.618 -9.767 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.370 -7.449 -10.943 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.063 -9.051 -9.697 1.00 0.37 C ATOM 0 H THR A 91 -3.521 -5.242 -9.035 1.00 0.30 H new ATOM 0 HA THR A 91 -4.125 -8.036 -8.331 1.00 0.30 H new ATOM 0 HB THR A 91 -1.712 -6.948 -9.812 1.00 0.33 H new ATOM 0 HG1 THR A 91 -2.840 -7.681 -11.734 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.491 -9.279 -10.596 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.425 -9.168 -8.821 1.00 0.37 H new ATOM 0 HG23 THR A 91 -2.909 -9.734 -9.623 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.489 -8.163 -6.470 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.533 -8.296 -5.387 1.00 0.33 C ATOM 1684 C PHE A 92 -0.611 -9.443 -5.717 1.00 0.39 C ATOM 1685 O PHE A 92 -1.069 -10.489 -6.156 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.224 -8.557 -4.049 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.530 -7.313 -3.267 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.647 -6.550 -3.571 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.703 -6.901 -2.238 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.932 -5.399 -2.863 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.984 -5.751 -1.526 1.00 0.46 C ATOM 1692 CZ PHE A 92 -3.093 -5.026 -1.798 1.00 0.52 C ATOM 0 H PHE A 92 -3.184 -8.909 -6.509 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.978 -7.363 -5.287 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.153 -9.097 -4.231 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.590 -9.207 -3.445 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.302 -6.860 -4.372 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.829 -7.484 -1.989 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.788 -4.794 -3.124 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.312 -5.428 -0.745 1.00 0.46 H new ATOM 0 HZ PHE A 92 -3.334 -4.161 -1.198 1.00 0.52 H new ATOM 1702 N ASP A 93 0.679 -9.259 -5.527 1.00 0.37 N ATOM 1703 CA ASP A 93 1.635 -10.289 -5.892 1.00 0.43 C ATOM 1704 C ASP A 93 2.907 -10.161 -5.074 1.00 0.36 C ATOM 1705 O ASP A 93 3.354 -9.054 -4.773 1.00 0.39 O ATOM 1706 CB ASP A 93 1.960 -10.202 -7.386 1.00 0.58 C ATOM 1707 CG ASP A 93 2.886 -11.310 -7.849 1.00 0.80 C ATOM 1708 OD1 ASP A 93 2.426 -12.464 -7.966 1.00 1.69 O ATOM 1709 OD2 ASP A 93 4.081 -11.033 -8.089 1.00 1.24 O ATOM 0 H ASP A 93 1.089 -8.415 -5.126 1.00 0.37 H new ATOM 0 HA ASP A 93 1.188 -11.260 -5.681 1.00 0.43 H new ATOM 0 HB2 ASP A 93 1.033 -10.246 -7.958 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.420 -9.237 -7.598 1.00 0.58 H new ATOM 1714 N LEU A 94 3.468 -11.295 -4.699 1.00 0.42 N ATOM 1715 CA LEU A 94 4.740 -11.322 -4.004 1.00 0.51 C ATOM 1716 C LEU A 94 5.865 -11.347 -5.019 1.00 0.56 C ATOM 1717 O LEU A 94 5.999 -12.301 -5.786 1.00 0.63 O ATOM 1718 CB LEU A 94 4.830 -12.545 -3.082 1.00 0.61 C ATOM 1719 CG LEU A 94 4.662 -12.257 -1.586 1.00 0.64 C ATOM 1720 CD1 LEU A 94 5.824 -11.425 -1.066 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.346 -11.547 -1.318 1.00 1.12 C ATOM 0 H LEU A 94 3.059 -12.215 -4.866 1.00 0.42 H new ATOM 0 HA LEU A 94 4.826 -10.427 -3.387 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.067 -13.263 -3.384 1.00 0.61 H new ATOM 0 HB3 LEU A 94 5.797 -13.024 -3.236 1.00 0.61 H new ATOM 0 HG LEU A 94 4.653 -13.211 -1.058 1.00 0.64 H new ATOM 0 HD11 LEU A 94 5.686 -11.232 -0.002 1.00 1.02 H new ATOM 0 HD12 LEU A 94 6.757 -11.968 -1.218 1.00 1.02 H new ATOM 0 HD13 LEU A 94 5.863 -10.478 -1.605 1.00 1.02 H new ATOM 0 HD21 LEU A 94 3.248 -11.353 -0.250 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.325 -10.603 -1.862 1.00 1.12 H new ATOM 0 HD23 LEU A 94 2.519 -12.175 -1.650 1.00 1.12 H new ATOM 1733 N LYS A 95 6.677 -10.302 -5.018 1.00 0.58 N ATOM 1734 CA LYS A 95 7.758 -10.186 -5.983 1.00 0.66 C ATOM 1735 C LYS A 95 8.924 -11.028 -5.501 1.00 0.69 C ATOM 1736 O LYS A 95 9.538 -11.779 -6.259 1.00 0.78 O ATOM 1737 CB LYS A 95 8.181 -8.721 -6.143 1.00 0.70 C ATOM 1738 CG LYS A 95 9.271 -8.504 -7.184 1.00 0.91 C ATOM 1739 CD LYS A 95 9.602 -7.029 -7.355 1.00 1.61 C ATOM 1740 CE LYS A 95 10.222 -6.442 -6.098 1.00 2.08 C ATOM 1741 NZ LYS A 95 10.562 -5.002 -6.258 1.00 3.03 N ATOM 0 H LYS A 95 6.608 -9.524 -4.362 1.00 0.58 H new ATOM 0 HA LYS A 95 7.424 -10.542 -6.957 1.00 0.66 H new ATOM 0 HB2 LYS A 95 7.308 -8.129 -6.417 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.531 -8.347 -5.181 1.00 0.70 H new ATOM 0 HG2 LYS A 95 10.169 -9.046 -6.889 1.00 0.91 H new ATOM 0 HG3 LYS A 95 8.949 -8.918 -8.140 1.00 0.91 H new ATOM 0 HD2 LYS A 95 10.290 -6.905 -8.192 1.00 1.61 H new ATOM 0 HD3 LYS A 95 8.694 -6.479 -7.604 1.00 1.61 H new ATOM 0 HE2 LYS A 95 9.529 -6.560 -5.265 1.00 2.08 H new ATOM 0 HE3 LYS A 95 11.123 -7.000 -5.845 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 11.361 -4.763 -5.636 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 10.825 -4.815 -7.247 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 9.738 -4.420 -6.003 1.00 3.03 H new ATOM 1755 N ASP A 96 9.187 -10.906 -4.213 1.00 0.65 N ATOM 1756 CA ASP A 96 10.190 -11.698 -3.529 1.00 0.70 C ATOM 1757 C ASP A 96 9.829 -11.708 -2.048 1.00 0.65 C ATOM 1758 O ASP A 96 8.991 -10.911 -1.621 1.00 0.60 O ATOM 1759 CB ASP A 96 11.589 -11.105 -3.753 1.00 0.76 C ATOM 1760 CG ASP A 96 11.786 -9.784 -3.046 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.525 -8.732 -3.662 1.00 1.03 O ATOM 1762 OD2 ASP A 96 12.213 -9.793 -1.871 1.00 1.79 O ATOM 0 H ASP A 96 8.703 -10.245 -3.605 1.00 0.65 H new ATOM 0 HA ASP A 96 10.210 -12.716 -3.918 1.00 0.70 H new ATOM 0 HB2 ASP A 96 12.339 -11.814 -3.403 1.00 0.76 H new ATOM 0 HB3 ASP A 96 11.753 -10.968 -4.822 1.00 0.76 H new ATOM 1767 N PRO A 97 10.421 -12.612 -1.248 1.00 0.73 N ATOM 1768 CA PRO A 97 10.079 -12.775 0.179 1.00 0.76 C ATOM 1769 C PRO A 97 10.317 -11.527 1.040 1.00 0.66 C ATOM 1770 O PRO A 97 10.153 -11.578 2.261 1.00 0.73 O ATOM 1771 CB PRO A 97 10.996 -13.913 0.644 1.00 0.91 C ATOM 1772 CG PRO A 97 11.380 -14.631 -0.601 1.00 0.98 C ATOM 1773 CD PRO A 97 11.450 -13.580 -1.668 1.00 0.87 C ATOM 0 HA PRO A 97 9.013 -12.972 0.290 1.00 0.76 H new ATOM 0 HB2 PRO A 97 11.873 -13.526 1.163 1.00 0.91 H new ATOM 0 HB3 PRO A 97 10.481 -14.576 1.339 1.00 0.91 H new ATOM 0 HG2 PRO A 97 12.340 -15.134 -0.483 1.00 0.98 H new ATOM 0 HG3 PRO A 97 10.647 -15.397 -0.853 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.438 -13.122 -1.719 1.00 0.87 H new ATOM 0 HD3 PRO A 97 11.238 -13.992 -2.655 1.00 0.87 H new ATOM 1781 N ASN A 98 10.706 -10.415 0.425 1.00 0.57 N ATOM 1782 CA ASN A 98 10.896 -9.174 1.160 1.00 0.55 C ATOM 1783 C ASN A 98 10.206 -8.002 0.455 1.00 0.46 C ATOM 1784 O ASN A 98 10.426 -6.840 0.802 1.00 0.50 O ATOM 1785 CB ASN A 98 12.390 -8.876 1.341 1.00 0.68 C ATOM 1786 CG ASN A 98 12.648 -7.799 2.378 1.00 1.38 C ATOM 1787 OD1 ASN A 98 11.893 -7.659 3.338 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.717 -7.040 2.200 1.00 1.91 N ATOM 0 H ASN A 98 10.895 -10.349 -0.575 1.00 0.57 H new ATOM 0 HA ASN A 98 10.441 -9.297 2.143 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.906 -9.790 1.635 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.813 -8.565 0.386 1.00 0.68 H new ATOM 0 HD21 ASN A 98 13.940 -6.307 2.873 1.00 1.91 H new ATOM 0 HD22 ASN A 98 14.319 -7.188 1.390 1.00 1.91 H new ATOM 1795 N THR A 99 9.361 -8.296 -0.533 1.00 0.43 N ATOM 1796 CA THR A 99 8.648 -7.238 -1.245 1.00 0.39 C ATOM 1797 C THR A 99 7.312 -7.709 -1.832 1.00 0.33 C ATOM 1798 O THR A 99 7.261 -8.576 -2.710 1.00 0.37 O ATOM 1799 CB THR A 99 9.511 -6.632 -2.369 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.767 -6.185 -1.836 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.799 -5.458 -3.027 1.00 0.51 C ATOM 0 H THR A 99 9.156 -9.242 -0.854 1.00 0.43 H new ATOM 0 HA THR A 99 8.436 -6.474 -0.497 1.00 0.39 H new ATOM 0 HB THR A 99 9.682 -7.405 -3.118 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.311 -5.803 -2.556 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.428 -5.047 -3.817 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.856 -5.798 -3.454 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.603 -4.687 -2.282 1.00 0.51 H new ATOM 1809 N LEU A 100 6.238 -7.117 -1.326 1.00 0.28 N ATOM 1810 CA LEU A 100 4.895 -7.302 -1.864 1.00 0.26 C ATOM 1811 C LEU A 100 4.652 -6.231 -2.930 1.00 0.27 C ATOM 1812 O LEU A 100 5.277 -5.178 -2.886 1.00 0.34 O ATOM 1813 CB LEU A 100 3.874 -7.140 -0.727 1.00 0.28 C ATOM 1814 CG LEU A 100 2.730 -8.157 -0.672 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.872 -7.902 0.558 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.871 -8.100 -1.926 1.00 1.10 C ATOM 0 H LEU A 100 6.274 -6.489 -0.523 1.00 0.28 H new ATOM 0 HA LEU A 100 4.791 -8.294 -2.303 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.412 -7.183 0.220 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.439 -6.144 -0.802 1.00 0.28 H new ATOM 0 HG LEU A 100 3.168 -9.153 -0.613 1.00 0.45 H new ATOM 0 HD11 LEU A 100 1.060 -8.628 0.592 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.484 -7.999 1.455 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.457 -6.895 0.510 1.00 1.10 H new ATOM 0 HD21 LEU A 100 1.070 -8.835 -1.852 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.441 -7.104 -2.028 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.486 -8.321 -2.799 1.00 1.10 H new ATOM 1828 N THR A 101 3.777 -6.482 -3.895 1.00 0.29 N ATOM 1829 CA THR A 101 3.439 -5.461 -4.877 1.00 0.31 C ATOM 1830 C THR A 101 1.929 -5.301 -5.012 1.00 0.30 C ATOM 1831 O THR A 101 1.193 -6.289 -5.060 1.00 0.31 O ATOM 1832 CB THR A 101 4.045 -5.774 -6.261 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.795 -7.139 -6.623 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.539 -5.504 -6.268 1.00 0.41 C ATOM 0 H THR A 101 3.294 -7.372 -4.018 1.00 0.29 H new ATOM 0 HA THR A 101 3.867 -4.527 -4.513 1.00 0.31 H new ATOM 0 HB THR A 101 3.568 -5.121 -6.992 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.852 -7.705 -5.825 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.945 -5.732 -7.254 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.720 -4.455 -6.034 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.026 -6.131 -5.521 1.00 0.41 H new ATOM 1842 N GLU A 102 1.482 -4.053 -5.049 1.00 0.31 N ATOM 1843 CA GLU A 102 0.075 -3.739 -5.261 1.00 0.33 C ATOM 1844 C GLU A 102 -0.078 -2.954 -6.561 1.00 0.35 C ATOM 1845 O GLU A 102 0.285 -1.776 -6.633 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.483 -2.931 -4.079 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.989 -2.700 -4.146 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.530 -1.858 -2.997 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -1.922 -1.851 -1.907 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.588 -1.207 -3.184 1.00 0.98 O ATOM 0 H GLU A 102 2.080 -3.234 -4.934 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.491 -4.668 -5.332 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.246 -3.452 -3.151 1.00 0.39 H new ATOM 0 HB3 GLU A 102 0.022 -1.966 -4.041 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.231 -2.210 -5.089 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.496 -3.665 -4.148 1.00 0.56 H new ATOM 1857 N THR A 103 -0.600 -3.606 -7.590 1.00 0.36 N ATOM 1858 CA THR A 103 -0.706 -2.995 -8.904 1.00 0.39 C ATOM 1859 C THR A 103 -2.150 -2.602 -9.215 1.00 0.39 C ATOM 1860 O THR A 103 -3.052 -3.438 -9.208 1.00 0.42 O ATOM 1861 CB THR A 103 -0.181 -3.954 -9.993 1.00 0.43 C ATOM 1862 OG1 THR A 103 1.162 -4.359 -9.679 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.205 -3.294 -11.364 1.00 0.46 C ATOM 0 H THR A 103 -0.957 -4.560 -7.538 1.00 0.36 H new ATOM 0 HA THR A 103 -0.095 -2.093 -8.898 1.00 0.39 H new ATOM 0 HB THR A 103 -0.834 -4.827 -10.019 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.490 -4.969 -10.372 1.00 0.51 H new ATOM 0 HG21 THR A 103 0.170 -3.993 -12.111 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.228 -3.011 -11.614 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.425 -2.405 -11.351 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.359 -1.317 -9.469 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.676 -0.792 -9.794 1.00 0.45 C ATOM 1873 C HIS A 104 -3.769 -0.513 -11.290 1.00 0.40 C ATOM 1874 O HIS A 104 -3.029 0.318 -11.809 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.947 0.525 -9.045 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.625 0.510 -7.581 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -3.138 1.614 -6.909 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.756 -0.464 -6.650 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -2.987 1.316 -5.634 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -3.356 0.067 -5.453 1.00 1.69 N ATOM 0 H HIS A 104 -1.622 -0.612 -9.455 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.412 -1.538 -9.495 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.369 1.318 -9.519 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.999 0.782 -9.166 1.00 0.70 H new ATOM 0 HD1 HIS A 104 -2.928 2.518 -7.333 1.00 1.17 H new ATOM 0 HD2 HIS A 104 -4.109 -1.470 -6.819 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -2.622 1.984 -4.868 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -3.346 -0.428 -4.561 1.00 1.69 H new ATOM 1889 N ILE A 105 -4.662 -1.206 -11.982 1.00 0.45 N ATOM 1890 CA ILE A 105 -4.888 -0.934 -13.394 1.00 0.52 C ATOM 1891 C ILE A 105 -6.325 -0.499 -13.631 1.00 0.54 C ATOM 1892 O ILE A 105 -7.273 -1.232 -13.326 1.00 0.55 O ATOM 1893 CB ILE A 105 -4.564 -2.151 -14.277 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.102 -2.554 -14.092 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -4.853 -1.839 -15.743 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -2.677 -3.688 -14.988 1.00 0.75 C ATOM 0 H ILE A 105 -5.237 -1.954 -11.593 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.212 -0.126 -13.674 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.198 -2.984 -13.975 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.467 -1.690 -14.286 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -2.940 -2.841 -13.053 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -4.618 -2.711 -16.354 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -5.907 -1.587 -15.860 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.240 -0.996 -16.063 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -1.629 -3.923 -14.805 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.288 -4.566 -14.778 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -2.807 -3.397 -16.030 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.476 0.712 -14.140 1.00 0.59 N ATOM 1909 CA LYS A 106 -7.791 1.289 -14.374 1.00 0.63 C ATOM 1910 C LYS A 106 -8.575 0.514 -15.430 1.00 0.67 C ATOM 1911 O LYS A 106 -8.104 0.281 -16.536 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.675 2.766 -14.761 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.020 3.620 -13.683 1.00 0.81 C ATOM 1914 CD LYS A 106 -7.160 5.110 -13.962 1.00 1.05 C ATOM 1915 CE LYS A 106 -8.602 5.580 -13.821 1.00 1.47 C ATOM 1916 NZ LYS A 106 -8.712 7.062 -13.872 1.00 1.61 N ATOM 0 H LYS A 106 -5.699 1.319 -14.401 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.347 1.217 -13.439 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.098 2.849 -15.682 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.670 3.159 -14.972 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.470 3.390 -12.717 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -5.963 3.364 -13.612 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.527 5.670 -13.274 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -6.804 5.326 -14.969 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -9.205 5.144 -14.618 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -9.011 5.218 -12.877 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -9.709 7.340 -13.772 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -8.158 7.478 -13.097 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -8.346 7.406 -14.783 1.00 1.61 H new ATOM 1930 N VAL A 107 -9.766 0.086 -15.026 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.699 -0.607 -15.887 1.00 0.78 C ATOM 1932 C VAL A 107 -11.063 0.247 -17.095 1.00 0.86 C ATOM 1933 O VAL A 107 -11.247 -0.258 -18.202 1.00 0.92 O ATOM 1934 CB VAL A 107 -11.969 -0.943 -15.092 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -13.008 -1.556 -15.988 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -11.638 -1.869 -13.942 1.00 1.11 C ATOM 0 H VAL A 107 -10.110 0.216 -14.074 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.229 -1.523 -16.244 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.378 -0.019 -14.684 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -13.900 -1.787 -15.406 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -13.264 -0.854 -16.781 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -12.614 -2.473 -16.428 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -12.547 -2.099 -13.387 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -11.207 -2.792 -14.330 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -10.921 -1.384 -13.279 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.145 1.543 -16.866 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.503 2.488 -17.914 1.00 1.00 C ATOM 1948 C ASP A 108 -10.283 2.833 -18.767 1.00 0.97 C ATOM 1949 O ASP A 108 -10.374 2.893 -19.993 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.123 3.757 -17.312 1.00 1.05 C ATOM 1951 CG ASP A 108 -11.171 4.527 -16.420 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -11.085 5.763 -16.561 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -10.505 3.901 -15.571 1.00 2.50 O ATOM 0 H ASP A 108 -10.968 1.971 -15.957 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.247 2.019 -18.558 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -12.458 4.407 -18.120 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -13.007 3.483 -16.736 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.141 3.051 -18.122 1.00 0.91 N ATOM 1959 CA ASP A 109 -7.895 3.315 -18.842 1.00 0.92 C ATOM 1960 C ASP A 109 -6.749 2.518 -18.250 1.00 0.84 C ATOM 1961 O ASP A 109 -6.039 2.989 -17.360 1.00 0.85 O ATOM 1962 CB ASP A 109 -7.539 4.804 -18.835 1.00 1.03 C ATOM 1963 CG ASP A 109 -8.339 5.607 -19.836 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -9.092 6.508 -19.416 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -8.209 5.348 -21.050 1.00 1.94 O ATOM 0 H ASP A 109 -9.050 3.051 -17.106 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.054 3.005 -19.875 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -7.707 5.207 -17.836 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -6.477 4.919 -19.051 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.545 1.304 -18.760 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.530 0.379 -18.252 1.00 0.78 C ATOM 1972 C PRO A 110 -4.103 0.815 -18.571 1.00 0.86 C ATOM 1973 O PRO A 110 -3.141 0.134 -18.216 1.00 0.90 O ATOM 1974 CB PRO A 110 -5.861 -0.927 -18.966 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.560 -0.519 -20.208 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.314 0.723 -19.868 1.00 0.83 C ATOM 0 HA PRO A 110 -5.556 0.314 -17.164 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -4.958 -1.494 -19.190 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.493 -1.565 -18.349 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -5.849 -0.335 -21.013 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.235 -1.303 -20.551 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.369 1.404 -20.718 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.339 0.501 -19.571 1.00 0.83 H new ATOM 1984 N THR A 111 -3.969 1.953 -19.228 1.00 0.93 N ATOM 1985 CA THR A 111 -2.664 2.507 -19.521 1.00 1.05 C ATOM 1986 C THR A 111 -2.137 3.245 -18.300 1.00 0.94 C ATOM 1987 O THR A 111 -0.938 3.505 -18.173 1.00 0.98 O ATOM 1988 CB THR A 111 -2.732 3.463 -20.721 1.00 1.30 C ATOM 1989 OG1 THR A 111 -3.752 4.448 -20.501 1.00 1.33 O ATOM 1990 CG2 THR A 111 -3.035 2.695 -21.994 1.00 1.47 C ATOM 0 H THR A 111 -4.752 2.511 -19.569 1.00 0.93 H new ATOM 0 HA THR A 111 -1.988 1.690 -19.773 1.00 1.05 H new ATOM 0 HB THR A 111 -1.766 3.956 -20.828 1.00 1.30 H new ATOM 0 HG1 THR A 111 -3.790 5.056 -21.268 1.00 1.33 H new ATOM 0 HG21 THR A 111 -3.080 3.387 -22.835 1.00 1.47 H new ATOM 0 HG22 THR A 111 -2.250 1.960 -22.171 1.00 1.47 H new ATOM 0 HG23 THR A 111 -3.993 2.185 -21.892 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.051 3.564 -17.393 1.00 0.86 N ATOM 1999 CA ASP A 112 -2.721 4.260 -16.156 1.00 0.86 C ATOM 2000 C ASP A 112 -2.362 3.249 -15.064 1.00 0.79 C ATOM 2001 O ASP A 112 -2.899 3.282 -13.959 1.00 1.18 O ATOM 2002 CB ASP A 112 -3.922 5.116 -15.726 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.580 6.167 -14.687 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -3.955 6.001 -13.512 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.948 7.183 -15.051 1.00 1.40 O ATOM 0 H ASP A 112 -4.043 3.347 -17.494 1.00 0.86 H new ATOM 0 HA ASP A 112 -1.859 4.907 -16.317 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.339 5.608 -16.604 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -4.698 4.463 -15.328 1.00 1.05 H new ATOM 2010 N VAL A 113 -1.467 2.325 -15.399 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.036 1.305 -14.481 1.00 0.68 C ATOM 2012 C VAL A 113 -0.141 1.882 -13.380 1.00 0.60 C ATOM 2013 O VAL A 113 0.967 2.362 -13.635 1.00 0.79 O ATOM 2014 CB VAL A 113 -0.316 0.177 -15.245 1.00 0.86 C ATOM 2015 CG1 VAL A 113 0.705 0.743 -16.213 1.00 1.60 C ATOM 2016 CG2 VAL A 113 0.345 -0.770 -14.282 1.00 1.23 C ATOM 0 H VAL A 113 -1.027 2.272 -16.318 1.00 0.66 H new ATOM 0 HA VAL A 113 -1.918 0.890 -13.994 1.00 0.68 H new ATOM 0 HB VAL A 113 -1.062 -0.372 -15.820 1.00 0.86 H new ATOM 0 HG11 VAL A 113 1.199 -0.074 -16.739 1.00 1.60 H new ATOM 0 HG12 VAL A 113 0.204 1.389 -16.934 1.00 1.60 H new ATOM 0 HG13 VAL A 113 1.447 1.321 -15.662 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.849 -1.561 -14.838 1.00 1.23 H new ATOM 0 HG22 VAL A 113 1.074 -0.227 -13.681 1.00 1.23 H new ATOM 0 HG23 VAL A 113 -0.409 -1.209 -13.629 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.647 1.825 -12.161 1.00 0.45 N ATOM 2027 CA GLU A 114 0.028 2.383 -10.998 1.00 0.47 C ATOM 2028 C GLU A 114 0.439 1.263 -10.050 1.00 0.44 C ATOM 2029 O GLU A 114 -0.330 0.338 -9.821 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.920 3.354 -10.296 1.00 0.64 C ATOM 2031 CG GLU A 114 -0.414 3.876 -8.965 1.00 0.96 C ATOM 2032 CD GLU A 114 -1.465 4.685 -8.243 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -2.350 4.078 -7.603 1.00 2.78 O ATOM 2034 OE2 GLU A 114 -1.406 5.932 -8.309 1.00 2.10 O ATOM 0 H GLU A 114 -1.543 1.388 -11.947 1.00 0.45 H new ATOM 0 HA GLU A 114 0.926 2.916 -11.310 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.107 4.201 -10.957 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.877 2.857 -10.137 1.00 0.64 H new ATOM 0 HG2 GLU A 114 -0.107 3.038 -8.339 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.470 4.492 -9.129 1.00 0.96 H new ATOM 2041 N THR A 115 1.643 1.331 -9.504 1.00 0.45 N ATOM 2042 CA THR A 115 2.118 0.274 -8.627 1.00 0.45 C ATOM 2043 C THR A 115 2.793 0.826 -7.375 1.00 0.44 C ATOM 2044 O THR A 115 3.660 1.700 -7.448 1.00 0.51 O ATOM 2045 CB THR A 115 3.104 -0.659 -9.362 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.515 -1.116 -10.589 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.475 -1.859 -8.498 1.00 0.53 C ATOM 0 H THR A 115 2.301 2.096 -9.650 1.00 0.45 H new ATOM 0 HA THR A 115 1.237 -0.292 -8.324 1.00 0.45 H new ATOM 0 HB THR A 115 4.012 -0.094 -9.574 1.00 0.49 H new ATOM 0 HG1 THR A 115 3.144 -1.707 -11.054 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.170 -2.498 -9.042 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.945 -1.513 -7.577 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.576 -2.425 -8.256 1.00 0.53 H new ATOM 2055 N TYR A 116 2.363 0.313 -6.231 1.00 0.41 N ATOM 2056 CA TYR A 116 3.040 0.559 -4.966 1.00 0.43 C ATOM 2057 C TYR A 116 3.732 -0.737 -4.585 1.00 0.38 C ATOM 2058 O TYR A 116 3.259 -1.810 -4.974 1.00 0.39 O ATOM 2059 CB TYR A 116 2.059 0.952 -3.849 1.00 0.54 C ATOM 2060 CG TYR A 116 1.057 2.041 -4.194 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.273 2.932 -5.238 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.113 2.173 -3.456 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.352 3.916 -5.536 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.038 3.156 -3.748 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.801 4.025 -4.788 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.725 5.000 -5.091 1.00 0.96 O ATOM 0 H TYR A 116 1.539 -0.283 -6.154 1.00 0.41 H new ATOM 0 HA TYR A 116 3.739 1.387 -5.083 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.508 0.061 -3.547 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.636 1.278 -2.984 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.176 2.853 -5.826 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.303 1.494 -2.638 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.534 4.599 -6.353 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.942 3.242 -3.163 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.197 4.758 -5.915 1.00 0.96 H new ATOM 2076 N GLU A 117 4.819 -0.693 -3.832 1.00 0.37 N ATOM 2077 CA GLU A 117 5.525 -1.910 -3.481 1.00 0.35 C ATOM 2078 C GLU A 117 5.758 -1.916 -1.977 1.00 0.34 C ATOM 2079 O GLU A 117 6.188 -0.914 -1.409 1.00 0.44 O ATOM 2080 CB GLU A 117 6.867 -2.003 -4.226 1.00 0.44 C ATOM 2081 CG GLU A 117 6.743 -1.889 -5.739 1.00 0.92 C ATOM 2082 CD GLU A 117 8.046 -2.177 -6.461 1.00 0.83 C ATOM 2083 OE1 GLU A 117 8.498 -3.342 -6.436 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.614 -1.250 -7.082 1.00 1.18 O ATOM 0 H GLU A 117 5.227 0.163 -3.456 1.00 0.37 H new ATOM 0 HA GLU A 117 4.925 -2.772 -3.772 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.527 -1.214 -3.865 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.342 -2.953 -3.981 1.00 0.44 H new ATOM 0 HG2 GLU A 117 5.978 -2.582 -6.089 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.405 -0.885 -5.996 1.00 0.92 H new ATOM 2091 N TYR A 118 5.442 -3.024 -1.333 1.00 0.29 N ATOM 2092 CA TYR A 118 5.566 -3.135 0.113 1.00 0.29 C ATOM 2093 C TYR A 118 6.778 -3.971 0.489 1.00 0.31 C ATOM 2094 O TYR A 118 6.709 -5.199 0.530 1.00 0.41 O ATOM 2095 CB TYR A 118 4.306 -3.760 0.713 1.00 0.32 C ATOM 2096 CG TYR A 118 3.055 -2.937 0.512 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.719 -1.908 1.383 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.209 -3.187 -0.558 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.585 -1.162 1.193 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.070 -2.438 -0.752 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.759 -1.430 0.162 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.354 -0.669 -0.045 1.00 0.60 O ATOM 0 H TYR A 118 5.095 -3.867 -1.790 1.00 0.29 H new ATOM 0 HA TYR A 118 5.693 -2.130 0.516 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.155 -4.745 0.271 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.461 -3.911 1.781 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.362 -1.692 2.224 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.447 -3.981 -1.250 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.352 -0.356 1.873 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.427 -2.628 -1.599 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.954 -1.130 -0.667 1.00 0.60 H new ATOM 2112 N ARG A 119 7.885 -3.308 0.761 1.00 0.31 N ATOM 2113 CA ARG A 119 9.102 -3.999 1.139 1.00 0.35 C ATOM 2114 C ARG A 119 9.346 -3.836 2.632 1.00 0.35 C ATOM 2115 O ARG A 119 8.916 -2.853 3.235 1.00 0.42 O ATOM 2116 CB ARG A 119 10.291 -3.487 0.310 1.00 0.46 C ATOM 2117 CG ARG A 119 10.702 -2.048 0.597 1.00 1.14 C ATOM 2118 CD ARG A 119 11.814 -1.984 1.633 1.00 1.30 C ATOM 2119 NE ARG A 119 12.986 -2.753 1.213 1.00 1.83 N ATOM 2120 CZ ARG A 119 14.138 -2.795 1.880 1.00 2.50 C ATOM 2121 NH1 ARG A 119 14.300 -2.079 2.983 1.00 2.76 N ATOM 2122 NH2 ARG A 119 15.134 -3.547 1.430 1.00 3.41 N ATOM 0 H ARG A 119 7.967 -2.292 0.727 1.00 0.31 H new ATOM 0 HA ARG A 119 8.993 -5.063 0.929 1.00 0.35 H new ATOM 0 HB2 ARG A 119 11.147 -4.137 0.490 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.042 -3.574 -0.748 1.00 0.46 H new ATOM 0 HG2 ARG A 119 11.034 -1.572 -0.326 1.00 1.14 H new ATOM 0 HG3 ARG A 119 9.839 -1.486 0.953 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.100 -0.945 1.797 1.00 1.30 H new ATOM 0 HD3 ARG A 119 11.448 -2.368 2.585 1.00 1.30 H new ATOM 0 HE ARG A 119 12.916 -3.294 0.351 1.00 1.83 H new ATOM 0 HH11 ARG A 119 13.540 -1.491 3.326 1.00 2.76 H new ATOM 0 HH12 ARG A 119 15.185 -2.115 3.489 1.00 2.76 H new ATOM 0 HH21 ARG A 119 15.016 -4.091 0.575 1.00 3.41 H new ATOM 0 HH22 ARG A 119 16.017 -3.581 1.939 1.00 3.41 H new ATOM 2136 N ARG A 120 10.013 -4.802 3.235 1.00 0.36 N ATOM 2137 CA ARG A 120 10.240 -4.776 4.669 1.00 0.41 C ATOM 2138 C ARG A 120 11.639 -4.259 4.984 1.00 0.46 C ATOM 2139 O ARG A 120 12.620 -4.681 4.372 1.00 0.63 O ATOM 2140 CB ARG A 120 10.045 -6.176 5.260 1.00 0.49 C ATOM 2141 CG ARG A 120 10.219 -6.246 6.769 1.00 1.06 C ATOM 2142 CD ARG A 120 9.098 -5.526 7.503 1.00 0.97 C ATOM 2143 NE ARG A 120 9.266 -5.613 8.952 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.317 -5.327 9.840 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.134 -4.878 9.443 1.00 1.62 N ATOM 2146 NH2 ARG A 120 8.558 -5.482 11.131 1.00 1.96 N ATOM 0 H ARG A 120 10.406 -5.612 2.757 1.00 0.36 H new ATOM 0 HA ARG A 120 9.515 -4.099 5.121 1.00 0.41 H new ATOM 0 HB2 ARG A 120 9.046 -6.530 5.004 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.755 -6.858 4.792 1.00 0.49 H new ATOM 0 HG2 ARG A 120 10.247 -7.289 7.083 1.00 1.06 H new ATOM 0 HG3 ARG A 120 11.176 -5.804 7.045 1.00 1.06 H new ATOM 0 HD2 ARG A 120 9.077 -4.479 7.200 1.00 0.97 H new ATOM 0 HD3 ARG A 120 8.139 -5.959 7.220 1.00 0.97 H new ATOM 0 HE ARG A 120 10.174 -5.914 9.307 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.945 -4.749 8.449 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.413 -4.662 10.132 1.00 1.62 H new ATOM 0 HH21 ARG A 120 9.469 -5.820 11.443 1.00 1.96 H new ATOM 0 HH22 ARG A 120 7.833 -5.264 11.815 1.00 1.96 H new ATOM 2160 N ASP A 121 11.718 -3.338 5.931 1.00 0.49 N ATOM 2161 CA ASP A 121 12.992 -2.794 6.371 1.00 0.59 C ATOM 2162 C ASP A 121 13.168 -3.044 7.861 1.00 0.66 C ATOM 2163 O ASP A 121 12.973 -2.148 8.685 1.00 1.08 O ATOM 2164 CB ASP A 121 13.083 -1.296 6.064 1.00 0.67 C ATOM 2165 CG ASP A 121 14.407 -0.686 6.487 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.456 -1.087 5.948 1.00 0.96 O ATOM 2167 OD2 ASP A 121 14.405 0.197 7.372 1.00 0.88 O ATOM 0 H ASP A 121 10.907 -2.949 6.413 1.00 0.49 H new ATOM 0 HA ASP A 121 13.793 -3.295 5.827 1.00 0.59 H new ATOM 0 HB2 ASP A 121 12.942 -1.140 4.994 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.270 -0.776 6.572 1.00 0.67 H new ATOM 2172 N GLY A 122 13.505 -4.281 8.197 1.00 0.73 N ATOM 2173 CA GLY A 122 13.692 -4.656 9.582 1.00 0.83 C ATOM 2174 C GLY A 122 12.413 -4.565 10.386 1.00 0.78 C ATOM 2175 O GLY A 122 11.604 -5.493 10.386 1.00 0.92 O ATOM 0 H GLY A 122 13.653 -5.037 7.528 1.00 0.73 H new ATOM 0 HA2 GLY A 122 14.076 -5.675 9.630 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.446 -4.010 10.031 1.00 0.83 H new ATOM 2179 N ASP A 123 12.225 -3.439 11.056 1.00 0.70 N ATOM 2180 CA ASP A 123 11.052 -3.228 11.892 1.00 0.78 C ATOM 2181 C ASP A 123 10.036 -2.339 11.180 1.00 0.64 C ATOM 2182 O ASP A 123 8.894 -2.203 11.615 1.00 0.75 O ATOM 2183 CB ASP A 123 11.470 -2.598 13.226 1.00 0.98 C ATOM 2184 CG ASP A 123 10.335 -2.507 14.226 1.00 1.67 C ATOM 2185 OD1 ASP A 123 9.941 -3.558 14.781 1.00 2.17 O ATOM 2186 OD2 ASP A 123 9.849 -1.389 14.486 1.00 2.31 O ATOM 0 H ASP A 123 12.874 -2.652 11.037 1.00 0.70 H new ATOM 0 HA ASP A 123 10.583 -4.193 12.086 1.00 0.78 H new ATOM 0 HB2 ASP A 123 12.281 -3.184 13.659 1.00 0.98 H new ATOM 0 HB3 ASP A 123 11.863 -1.598 13.041 1.00 0.98 H new ATOM 2191 N TYR A 124 10.451 -1.749 10.067 1.00 0.48 N ATOM 2192 CA TYR A 124 9.595 -0.832 9.331 1.00 0.36 C ATOM 2193 C TYR A 124 9.039 -1.475 8.071 1.00 0.33 C ATOM 2194 O TYR A 124 9.687 -2.316 7.445 1.00 0.39 O ATOM 2195 CB TYR A 124 10.369 0.432 8.961 1.00 0.32 C ATOM 2196 CG TYR A 124 10.768 1.265 10.155 1.00 0.37 C ATOM 2197 CD1 TYR A 124 12.048 1.181 10.678 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.868 2.134 10.755 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.425 1.938 11.771 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.236 2.895 11.846 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.483 2.801 12.356 1.00 0.56 C ATOM 2202 OH TYR A 124 11.884 3.546 13.441 1.00 0.67 O ATOM 0 H TYR A 124 11.374 -1.889 9.656 1.00 0.48 H new ATOM 0 HA TYR A 124 8.758 -0.573 9.979 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.265 0.151 8.408 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.759 1.039 8.292 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.764 0.512 10.224 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.865 2.216 10.363 1.00 0.49 H new ATOM 0 HE1 TYR A 124 13.427 1.867 12.169 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.522 3.570 12.295 1.00 0.58 H new ATOM 0 HH TYR A 124 11.138 4.102 13.750 1.00 0.67 H new ATOM 2212 N LEU A 125 7.828 -1.087 7.713 1.00 0.30 N ATOM 2213 CA LEU A 125 7.223 -1.473 6.454 1.00 0.30 C ATOM 2214 C LEU A 125 7.397 -0.306 5.489 1.00 0.27 C ATOM 2215 O LEU A 125 6.963 0.805 5.773 1.00 0.31 O ATOM 2216 CB LEU A 125 5.736 -1.810 6.702 1.00 0.36 C ATOM 2217 CG LEU A 125 4.877 -2.253 5.502 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.359 -1.058 4.717 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.651 -3.190 4.589 1.00 0.88 C ATOM 0 H LEU A 125 7.235 -0.492 8.292 1.00 0.30 H new ATOM 0 HA LEU A 125 7.692 -2.358 6.023 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.695 -2.601 7.450 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.265 -0.931 7.142 1.00 0.36 H new ATOM 0 HG LEU A 125 4.019 -2.793 5.902 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.757 -1.407 3.878 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.747 -0.433 5.367 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.201 -0.476 4.342 1.00 1.03 H new ATOM 0 HD21 LEU A 125 5.019 -3.486 3.751 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.538 -2.681 4.212 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.951 -4.076 5.148 1.00 0.88 H new ATOM 2231 N VAL A 126 8.040 -0.540 4.361 1.00 0.29 N ATOM 2232 CA VAL A 126 8.410 0.554 3.481 1.00 0.34 C ATOM 2233 C VAL A 126 7.717 0.418 2.139 1.00 0.36 C ATOM 2234 O VAL A 126 7.777 -0.628 1.493 1.00 0.43 O ATOM 2235 CB VAL A 126 9.939 0.632 3.269 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.311 1.802 2.363 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.654 0.749 4.606 1.00 0.47 C ATOM 0 H VAL A 126 8.315 -1.466 4.034 1.00 0.29 H new ATOM 0 HA VAL A 126 8.087 1.476 3.965 1.00 0.34 H new ATOM 0 HB VAL A 126 10.258 -0.288 2.779 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.393 1.831 2.232 1.00 0.46 H new ATOM 0 HG12 VAL A 126 9.831 1.677 1.392 1.00 0.46 H new ATOM 0 HG13 VAL A 126 9.975 2.734 2.816 1.00 0.46 H new ATOM 0 HG21 VAL A 126 11.730 0.803 4.440 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.320 1.651 5.119 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.425 -0.123 5.219 1.00 0.47 H new ATOM 2247 N MET A 127 7.054 1.481 1.734 1.00 0.38 N ATOM 2248 CA MET A 127 6.373 1.508 0.459 1.00 0.46 C ATOM 2249 C MET A 127 7.240 2.183 -0.588 1.00 0.33 C ATOM 2250 O MET A 127 7.903 3.178 -0.307 1.00 0.33 O ATOM 2251 CB MET A 127 5.032 2.233 0.565 1.00 0.65 C ATOM 2252 CG MET A 127 4.486 2.660 -0.785 1.00 0.87 C ATOM 2253 SD MET A 127 2.800 3.272 -0.704 1.00 1.08 S ATOM 2254 CE MET A 127 1.939 1.760 -0.322 1.00 0.66 C ATOM 0 H MET A 127 6.973 2.342 2.274 1.00 0.38 H new ATOM 0 HA MET A 127 6.184 0.477 0.160 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.309 1.580 1.054 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.148 3.112 1.199 1.00 0.65 H new ATOM 0 HG2 MET A 127 5.128 3.437 -1.200 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.526 1.813 -1.470 1.00 0.87 H new ATOM 0 HE1 MET A 127 0.916 1.820 -0.692 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.448 0.921 -0.797 1.00 0.66 H new ATOM 0 HE3 MET A 127 1.926 1.612 0.758 1.00 0.66 H new ATOM 2264 N LYS A 128 7.224 1.640 -1.787 1.00 0.33 N ATOM 2265 CA LYS A 128 7.944 2.225 -2.896 1.00 0.35 C ATOM 2266 C LYS A 128 6.996 2.422 -4.069 1.00 0.35 C ATOM 2267 O LYS A 128 6.467 1.459 -4.619 1.00 0.44 O ATOM 2268 CB LYS A 128 9.117 1.333 -3.301 1.00 0.55 C ATOM 2269 CG LYS A 128 10.000 1.943 -4.373 1.00 0.82 C ATOM 2270 CD LYS A 128 11.113 0.994 -4.773 1.00 0.99 C ATOM 2271 CE LYS A 128 12.009 1.609 -5.832 1.00 1.42 C ATOM 2272 NZ LYS A 128 13.059 0.661 -6.277 1.00 2.20 N ATOM 0 H LYS A 128 6.715 0.787 -2.019 1.00 0.33 H new ATOM 0 HA LYS A 128 8.343 3.193 -2.593 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.723 1.121 -2.420 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.731 0.379 -3.659 1.00 0.55 H new ATOM 0 HG2 LYS A 128 9.397 2.190 -5.247 1.00 0.82 H new ATOM 0 HG3 LYS A 128 10.428 2.876 -4.007 1.00 0.82 H new ATOM 0 HD2 LYS A 128 11.707 0.737 -3.896 1.00 0.99 H new ATOM 0 HD3 LYS A 128 10.684 0.066 -5.151 1.00 0.99 H new ATOM 0 HE2 LYS A 128 11.406 1.913 -6.688 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.476 2.510 -5.435 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 13.652 1.115 -7.001 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 13.649 0.391 -5.465 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 12.612 -0.188 -6.678 1.00 2.20 H new ATOM 2286 N MET A 129 6.747 3.671 -4.413 1.00 0.36 N ATOM 2287 CA MET A 129 5.860 4.005 -5.520 1.00 0.41 C ATOM 2288 C MET A 129 6.680 4.653 -6.620 1.00 0.35 C ATOM 2289 O MET A 129 7.615 5.392 -6.325 1.00 0.40 O ATOM 2290 CB MET A 129 4.771 4.967 -5.040 1.00 0.49 C ATOM 2291 CG MET A 129 4.127 4.537 -3.735 1.00 1.02 C ATOM 2292 SD MET A 129 3.368 5.901 -2.828 1.00 1.11 S ATOM 2293 CE MET A 129 1.990 6.302 -3.895 1.00 0.50 C ATOM 0 H MET A 129 7.149 4.480 -3.939 1.00 0.36 H new ATOM 0 HA MET A 129 5.382 3.102 -5.900 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.202 5.960 -4.915 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.002 5.047 -5.808 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.369 3.782 -3.944 1.00 1.02 H new ATOM 0 HG3 MET A 129 4.881 4.066 -3.104 1.00 1.02 H new ATOM 0 HE1 MET A 129 1.882 7.385 -3.959 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.170 5.896 -4.890 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.076 5.870 -3.487 1.00 0.50 H new ATOM 2303 N SER A 130 6.363 4.378 -7.876 1.00 0.34 N ATOM 2304 CA SER A 130 7.143 4.933 -8.972 1.00 0.33 C ATOM 2305 C SER A 130 6.270 5.347 -10.146 1.00 0.33 C ATOM 2306 O SER A 130 5.424 4.580 -10.612 1.00 0.38 O ATOM 2307 CB SER A 130 8.193 3.924 -9.428 1.00 0.39 C ATOM 2308 OG SER A 130 7.623 2.634 -9.594 1.00 1.06 O ATOM 0 H SER A 130 5.584 3.784 -8.159 1.00 0.34 H new ATOM 0 HA SER A 130 7.636 5.832 -8.601 1.00 0.33 H new ATOM 0 HB2 SER A 130 8.635 4.254 -10.368 1.00 0.39 H new ATOM 0 HB3 SER A 130 8.999 3.877 -8.696 1.00 0.39 H new ATOM 0 HG SER A 130 6.735 2.718 -10.000 1.00 1.06 H new ATOM 2314 N TRP A 131 6.487 6.567 -10.608 1.00 0.32 N ATOM 2315 CA TRP A 131 5.802 7.086 -11.782 1.00 0.34 C ATOM 2316 C TRP A 131 6.741 7.983 -12.570 1.00 0.34 C ATOM 2317 O TRP A 131 7.290 8.941 -12.026 1.00 0.33 O ATOM 2318 CB TRP A 131 4.551 7.861 -11.372 1.00 0.36 C ATOM 2319 CG TRP A 131 3.608 8.105 -12.506 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.544 9.213 -13.295 1.00 0.46 C ATOM 2321 CD2 TRP A 131 2.591 7.215 -12.982 1.00 0.47 C ATOM 2322 NE1 TRP A 131 2.548 9.073 -14.228 1.00 0.52 N ATOM 2323 CE2 TRP A 131 1.950 7.854 -14.058 1.00 0.54 C ATOM 2324 CE3 TRP A 131 2.160 5.942 -12.602 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 0.902 7.264 -14.759 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 1.121 5.357 -13.297 1.00 0.73 C ATOM 2327 CH2 TRP A 131 0.503 6.016 -14.366 1.00 0.76 C ATOM 0 H TRP A 131 7.140 7.224 -10.182 1.00 0.32 H new ATOM 0 HA TRP A 131 5.497 6.249 -12.410 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.031 7.310 -10.589 1.00 0.36 H new ATOM 0 HB3 TRP A 131 4.849 8.818 -10.944 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.185 10.077 -13.200 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.295 9.765 -14.933 1.00 0.52 H new ATOM 0 HE3 TRP A 131 2.631 5.425 -11.779 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 0.422 7.772 -15.582 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 0.779 4.373 -13.011 1.00 0.73 H new ATOM 0 HH2 TRP A 131 -0.305 5.529 -14.891 1.00 0.76 H new ATOM 2338 N LYS A 132 6.922 7.666 -13.850 1.00 0.37 N ATOM 2339 CA LYS A 132 7.852 8.388 -14.715 1.00 0.40 C ATOM 2340 C LYS A 132 9.239 8.486 -14.086 1.00 0.39 C ATOM 2341 O LYS A 132 9.867 9.548 -14.090 1.00 0.42 O ATOM 2342 CB LYS A 132 7.321 9.788 -15.059 1.00 0.44 C ATOM 2343 CG LYS A 132 6.495 9.842 -16.338 1.00 0.68 C ATOM 2344 CD LYS A 132 5.257 8.963 -16.260 1.00 1.22 C ATOM 2345 CE LYS A 132 4.439 9.041 -17.537 1.00 1.43 C ATOM 2346 NZ LYS A 132 3.250 8.153 -17.489 1.00 1.96 N ATOM 0 H LYS A 132 6.430 6.904 -14.316 1.00 0.37 H new ATOM 0 HA LYS A 132 7.939 7.818 -15.640 1.00 0.40 H new ATOM 0 HB2 LYS A 132 6.712 10.148 -14.230 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.165 10.472 -15.155 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.196 10.872 -16.532 1.00 0.68 H new ATOM 0 HG3 LYS A 132 7.111 9.525 -17.180 1.00 0.68 H new ATOM 0 HD2 LYS A 132 5.554 7.930 -16.079 1.00 1.22 H new ATOM 0 HD3 LYS A 132 4.643 9.271 -15.414 1.00 1.22 H new ATOM 0 HE2 LYS A 132 4.117 10.070 -17.700 1.00 1.43 H new ATOM 0 HE3 LYS A 132 5.064 8.765 -18.386 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 2.525 8.508 -18.145 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 3.525 7.189 -17.765 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 2.865 8.140 -16.523 1.00 1.96 H new ATOM 2360 N GLY A 133 9.702 7.374 -13.531 1.00 0.40 N ATOM 2361 CA GLY A 133 11.016 7.329 -12.920 1.00 0.42 C ATOM 2362 C GLY A 133 11.007 7.802 -11.481 1.00 0.40 C ATOM 2363 O GLY A 133 11.841 7.378 -10.678 1.00 0.53 O ATOM 0 H GLY A 133 9.186 6.495 -13.493 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.396 6.308 -12.960 1.00 0.42 H new ATOM 0 HA3 GLY A 133 11.702 7.948 -13.498 1.00 0.42 H new ATOM 2367 N VAL A 134 10.057 8.667 -11.150 1.00 0.35 N ATOM 2368 CA VAL A 134 9.981 9.237 -9.813 1.00 0.34 C ATOM 2369 C VAL A 134 9.557 8.178 -8.816 1.00 0.36 C ATOM 2370 O VAL A 134 8.394 7.772 -8.782 1.00 0.40 O ATOM 2371 CB VAL A 134 8.988 10.410 -9.723 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.134 11.119 -8.385 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.182 11.377 -10.875 1.00 0.43 C ATOM 0 H VAL A 134 9.330 8.988 -11.789 1.00 0.35 H new ATOM 0 HA VAL A 134 10.978 9.613 -9.582 1.00 0.34 H new ATOM 0 HB VAL A 134 7.976 10.012 -9.795 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.427 11.947 -8.333 1.00 0.38 H new ATOM 0 HG12 VAL A 134 8.931 10.416 -7.577 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.149 11.503 -8.285 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.468 12.196 -10.787 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.196 11.776 -10.849 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.022 10.856 -11.819 1.00 0.43 H new ATOM 2383 N SER A 135 10.506 7.711 -8.030 1.00 0.38 N ATOM 2384 CA SER A 135 10.228 6.747 -7.011 1.00 0.42 C ATOM 2385 C SER A 135 10.186 7.418 -5.652 1.00 0.40 C ATOM 2386 O SER A 135 10.962 8.331 -5.366 1.00 0.51 O ATOM 2387 CB SER A 135 11.300 5.681 -7.026 1.00 0.50 C ATOM 2388 OG SER A 135 11.584 5.268 -8.353 1.00 1.14 O ATOM 0 H SER A 135 11.484 7.994 -8.087 1.00 0.38 H new ATOM 0 HA SER A 135 9.257 6.291 -7.204 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.207 6.065 -6.558 1.00 0.50 H new ATOM 0 HB3 SER A 135 10.975 4.824 -6.436 1.00 0.50 H new ATOM 0 HG SER A 135 12.281 4.579 -8.339 1.00 1.14 H new ATOM 2394 N THR A 136 9.277 6.962 -4.833 1.00 0.35 N ATOM 2395 CA THR A 136 9.108 7.493 -3.500 1.00 0.34 C ATOM 2396 C THR A 136 9.097 6.360 -2.482 1.00 0.31 C ATOM 2397 O THR A 136 8.335 5.399 -2.612 1.00 0.34 O ATOM 2398 CB THR A 136 7.814 8.343 -3.389 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.557 8.693 -2.025 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.613 7.610 -3.961 1.00 0.39 C ATOM 0 H THR A 136 8.629 6.210 -5.068 1.00 0.35 H new ATOM 0 HA THR A 136 9.951 8.150 -3.287 1.00 0.34 H new ATOM 0 HB THR A 136 7.972 9.250 -3.972 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.357 9.104 -1.636 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.726 8.236 -3.866 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.789 7.388 -5.014 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.461 6.679 -3.415 1.00 0.39 H new ATOM 2408 N SER A 137 9.973 6.458 -1.494 1.00 0.33 N ATOM 2409 CA SER A 137 10.041 5.467 -0.441 1.00 0.32 C ATOM 2410 C SER A 137 9.379 6.022 0.807 1.00 0.31 C ATOM 2411 O SER A 137 9.901 6.930 1.450 1.00 0.40 O ATOM 2412 CB SER A 137 11.496 5.096 -0.150 1.00 0.39 C ATOM 2413 OG SER A 137 12.206 4.851 -1.354 1.00 0.79 O ATOM 0 H SER A 137 10.647 7.218 -1.403 1.00 0.33 H new ATOM 0 HA SER A 137 9.518 4.565 -0.759 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.978 5.902 0.403 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.530 4.210 0.484 1.00 0.39 H new ATOM 0 HG SER A 137 13.134 4.617 -1.145 1.00 0.79 H new ATOM 2419 N ARG A 138 8.216 5.502 1.127 1.00 0.35 N ATOM 2420 CA ARG A 138 7.455 5.997 2.253 1.00 0.44 C ATOM 2421 C ARG A 138 7.502 4.994 3.391 1.00 0.39 C ATOM 2422 O ARG A 138 7.174 3.820 3.221 1.00 0.43 O ATOM 2423 CB ARG A 138 6.033 6.309 1.808 1.00 0.63 C ATOM 2424 CG ARG A 138 5.998 7.414 0.762 1.00 1.08 C ATOM 2425 CD ARG A 138 4.674 7.468 0.033 1.00 0.88 C ATOM 2426 NE ARG A 138 3.565 7.826 0.911 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.419 7.157 0.948 1.00 1.07 C ATOM 2428 NH1 ARG A 138 2.241 6.109 0.163 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.444 7.537 1.761 1.00 1.63 N ATOM 0 H ARG A 138 7.775 4.734 0.622 1.00 0.35 H new ATOM 0 HA ARG A 138 7.892 6.923 2.625 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.574 5.408 1.401 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.439 6.607 2.672 1.00 0.63 H new ATOM 0 HG2 ARG A 138 6.185 8.374 1.243 1.00 1.08 H new ATOM 0 HG3 ARG A 138 6.801 7.256 0.042 1.00 1.08 H new ATOM 0 HD2 ARG A 138 4.739 8.193 -0.778 1.00 0.88 H new ATOM 0 HD3 ARG A 138 4.474 6.498 -0.422 1.00 0.88 H new ATOM 0 HE ARG A 138 3.676 8.631 1.528 1.00 0.82 H new ATOM 0 HH11 ARG A 138 2.984 5.815 -0.471 1.00 1.84 H new ATOM 0 HH12 ARG A 138 1.361 5.595 0.191 1.00 1.84 H new ATOM 0 HH21 ARG A 138 1.571 8.349 2.365 1.00 1.63 H new ATOM 0 HH22 ARG A 138 0.567 7.017 1.783 1.00 1.63 H new ATOM 2443 N TYR A 139 7.922 5.474 4.547 1.00 0.39 N ATOM 2444 CA TYR A 139 8.273 4.607 5.656 1.00 0.36 C ATOM 2445 C TYR A 139 7.124 4.487 6.646 1.00 0.34 C ATOM 2446 O TYR A 139 6.692 5.477 7.236 1.00 0.39 O ATOM 2447 CB TYR A 139 9.524 5.154 6.350 1.00 0.42 C ATOM 2448 CG TYR A 139 10.692 5.372 5.407 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.851 6.576 4.737 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.641 4.372 5.195 1.00 0.50 C ATOM 2451 CE1 TYR A 139 11.919 6.785 3.885 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.713 4.573 4.341 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.827 5.762 3.665 1.00 0.56 C ATOM 2454 OH TYR A 139 13.910 5.992 2.844 1.00 0.64 O ATOM 0 H TYR A 139 8.029 6.469 4.743 1.00 0.39 H new ATOM 0 HA TYR A 139 8.479 3.609 5.269 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.277 6.099 6.835 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.826 4.462 7.136 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.127 7.364 4.884 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.538 3.426 5.705 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.045 7.739 3.394 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.454 3.799 4.208 1.00 0.56 H new ATOM 0 HH TYR A 139 14.457 5.180 2.788 1.00 0.64 H new ATOM 2464 N TYR A 140 6.625 3.274 6.806 1.00 0.29 N ATOM 2465 CA TYR A 140 5.558 2.994 7.750 1.00 0.27 C ATOM 2466 C TYR A 140 6.094 2.204 8.936 1.00 0.29 C ATOM 2467 O TYR A 140 6.872 1.265 8.771 1.00 0.37 O ATOM 2468 CB TYR A 140 4.439 2.193 7.076 1.00 0.27 C ATOM 2469 CG TYR A 140 3.679 2.953 6.014 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.527 3.651 6.339 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.109 2.973 4.693 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.823 4.351 5.383 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.407 3.673 3.727 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.265 4.359 4.081 1.00 0.48 C ATOM 2475 OH TYR A 140 1.561 5.065 3.135 1.00 0.60 O ATOM 0 H TYR A 140 6.947 2.457 6.287 1.00 0.29 H new ATOM 0 HA TYR A 140 5.158 3.946 8.099 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.869 1.298 6.627 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.736 1.860 7.840 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.174 3.646 7.360 1.00 0.39 H new ATOM 0 HD2 TYR A 140 5.003 2.435 4.416 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.928 4.891 5.655 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.751 3.682 2.703 1.00 0.52 H new ATOM 0 HH TYR A 140 1.531 4.553 2.300 1.00 0.60 H new ATOM 2485 N LYS A 141 5.682 2.588 10.127 1.00 0.37 N ATOM 2486 CA LYS A 141 6.008 1.843 11.319 1.00 0.48 C ATOM 2487 C LYS A 141 4.702 1.478 11.996 1.00 0.45 C ATOM 2488 O LYS A 141 3.701 2.097 11.698 1.00 0.54 O ATOM 2489 CB LYS A 141 6.932 2.664 12.221 1.00 0.69 C ATOM 2490 CG LYS A 141 6.280 3.852 12.905 1.00 0.72 C ATOM 2491 CD LYS A 141 5.714 3.468 14.257 1.00 0.97 C ATOM 2492 CE LYS A 141 6.796 2.943 15.180 1.00 1.45 C ATOM 2493 NZ LYS A 141 6.275 2.646 16.539 1.00 1.92 N ATOM 0 H LYS A 141 5.116 3.420 10.292 1.00 0.37 H new ATOM 0 HA LYS A 141 6.553 0.929 11.083 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.345 2.006 12.986 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.770 3.024 11.624 1.00 0.69 H new ATOM 0 HG2 LYS A 141 7.012 4.650 13.029 1.00 0.72 H new ATOM 0 HG3 LYS A 141 5.483 4.245 12.274 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.234 4.335 14.712 1.00 0.97 H new ATOM 0 HD3 LYS A 141 4.943 2.708 14.128 1.00 0.97 H new ATOM 0 HE2 LYS A 141 7.229 2.039 14.753 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.598 3.677 15.252 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 7.048 2.290 17.137 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 5.885 3.514 16.958 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 5.527 1.926 16.474 1.00 1.92 H new ATOM 2507 N LYS A 142 4.697 0.472 12.856 1.00 0.44 N ATOM 2508 CA LYS A 142 3.455 -0.020 13.479 1.00 0.43 C ATOM 2509 C LYS A 142 2.574 1.072 14.109 1.00 0.36 C ATOM 2510 O LYS A 142 2.887 2.263 14.092 1.00 0.34 O ATOM 2511 CB LYS A 142 3.781 -1.066 14.543 1.00 0.54 C ATOM 2512 CG LYS A 142 4.267 -2.384 13.970 1.00 0.87 C ATOM 2513 CD LYS A 142 3.164 -3.138 13.244 1.00 1.30 C ATOM 2514 CE LYS A 142 2.046 -3.556 14.183 1.00 1.43 C ATOM 2515 NZ LYS A 142 2.519 -4.493 15.233 1.00 2.13 N ATOM 0 H LYS A 142 5.537 -0.029 13.146 1.00 0.44 H new ATOM 0 HA LYS A 142 2.877 -0.449 12.661 1.00 0.43 H new ATOM 0 HB2 LYS A 142 4.544 -0.667 15.211 1.00 0.54 H new ATOM 0 HB3 LYS A 142 2.892 -1.248 15.147 1.00 0.54 H new ATOM 0 HG2 LYS A 142 5.091 -2.197 13.281 1.00 0.87 H new ATOM 0 HG3 LYS A 142 4.660 -3.005 14.775 1.00 0.87 H new ATOM 0 HD2 LYS A 142 2.756 -2.510 12.452 1.00 1.30 H new ATOM 0 HD3 LYS A 142 3.584 -4.022 12.765 1.00 1.30 H new ATOM 0 HE2 LYS A 142 1.619 -2.671 14.654 1.00 1.43 H new ATOM 0 HE3 LYS A 142 1.249 -4.028 13.609 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 1.700 -4.922 15.710 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 3.096 -5.240 14.797 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 3.092 -3.974 15.929 1.00 2.13 H new ATOM 2529 N GLN A 143 1.389 0.658 14.516 1.00 0.44 N ATOM 2530 CA GLN A 143 0.591 1.408 15.477 1.00 0.53 C ATOM 2531 C GLN A 143 0.984 1.046 16.906 1.00 0.68 C ATOM 2532 O GLN A 143 0.479 0.026 17.422 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.896 1.121 15.261 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.509 1.898 14.113 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.862 3.314 14.508 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -0.912 4.217 14.372 1.00 1.34 O flip ATOM 2537 NE2 GLN A 143 -2.978 3.588 14.948 1.00 1.28 N flip ATOM 2538 OXT GLN A 143 1.794 1.784 17.507 1.00 1.19 O ATOM 0 H GLN A 143 0.950 -0.204 14.193 1.00 0.44 H new ATOM 0 HA GLN A 143 0.780 2.471 15.323 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -1.028 0.055 15.077 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.438 1.356 16.177 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.811 1.919 13.276 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.406 1.385 13.767 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -3.685 2.858 15.037 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -3.197 4.545 15.224 1.00 1.28 H new