USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1153 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 141 LYS NZ :NH3+ 163:sc= 1.15 (180deg=0.881) USER MOD Set 2.1: A 128 LYS NZ :NH3+ 151:sc= 1.08 (180deg=-0.336) USER MOD Set 2.2: A 130 SER OG : rot 140:sc= 0.946 USER MOD Set 2.3: A 135 SER OG : rot 101:sc= 2.17 USER MOD Set 3.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 115 THR OG1 : rot 180:sc= -0.534 USER MOD Set 4.1: A 86 THR OG1 : rot 180:sc= -0.259 USER MOD Set 4.2: A 88 HIS : no HD1:sc= -4.26! C(o=-4.5!,f=-11!) USER MOD Set 5.1: A 43 LYS NZ :NH3+ 164:sc= 1.8 (180deg=0) USER MOD Set 5.2: A 58 MET CE :methyl -104:sc= -0.436 (180deg=-1.33) USER MOD Set 5.3: A 60 ASN : amide:sc= 1.13 K(o=-0.38,f=-16!) USER MOD Set 5.4: A 67 THR OG1 : rot -175:sc= -1.73! USER MOD Set 5.5: A 118 TYR OH : rot 180:sc= 0.489 USER MOD Set 5.6: A 127 MET CE :methyl -148:sc= -1.63 (180deg=-4.13!) USER MOD Set 6.1: A 63 THR OG1 : rot -170:sc= -2.2! USER MOD Set 6.2: A 64 LYS NZ :NH3+ -166:sc= -0.0434 (180deg=-0.272) USER MOD Set 7.1: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 143 GLN : amide:sc= -3.89! C(o=-3.9!,f=-2.7!) USER MOD Set 8.1: A 10 THR OG1 : rot 24:sc= 0.128! USER MOD Set 8.2: A 44 LYS NZ :NH3+ -173:sc= 0.366 (180deg=-0.235) USER MOD Single : A 2 THR OG1 : rot 17:sc= 0.436 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0.353 (180deg=0.152) USER MOD Single : A 18 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.29) USER MOD Single : A 22 TYR OH : rot 15:sc= 1.2 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -177:sc= -0.765 (180deg=-0.787) USER MOD Single : A 34 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.53) USER MOD Single : A 37 LYS NZ :NH3+ -151:sc= 1.21 (180deg=1.09) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -108:sc= 0.705 USER MOD Single : A 52 LYS NZ :NH3+ 151:sc= 0 (180deg=-1) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.447 USER MOD Single : A 62 THR OG1 : rot 150:sc= 0.424 USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 1.16 (180deg=1.12) USER MOD Single : A 68 HIS : no HE2:sc= -2.27 C(o=-1.5!,f=-13!) USER MOD Single : A 69 HIS : no HE2:sc= -0.479 K(o=1.1,f=-9!) USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= -1.48 (180deg=-2.42!) USER MOD Single : A 79 GLN : amide:sc=-0.00629 X(o=-0.0063,f=-0.29) USER MOD Single : A 85 SER OG : rot 180:sc= -0.369 USER MOD Single : A 87 GLN : amide:sc= -0.959 K(o=-0.96,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 95 LYS NZ :NH3+ 137:sc= 0.988 (180deg=0.185) USER MOD Single : A 98 ASN : amide:sc= -0.211 K(o=-0.21,f=-3.4!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.072 USER MOD Single : A 101 THR OG1 : rot -5:sc= 0.605 USER MOD Single : A 104 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-6.8!) USER MOD Single : A 106 LYS NZ :NH3+ 175:sc= 1.15 (180deg=1.11) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl -128:sc= -1.21 (180deg=-8.11!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot 34:sc= 1.29 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 -120:sc= 0.3 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 2.446 -17.653 0.595 1.00 0.86 N ATOM 211 CA THR A 2 1.983 -17.250 1.910 1.00 0.81 C ATOM 212 C THR A 2 2.688 -15.980 2.360 1.00 0.66 C ATOM 213 O THR A 2 3.917 -15.873 2.272 1.00 0.64 O ATOM 214 CB THR A 2 2.201 -18.362 2.944 1.00 0.86 C ATOM 215 OG1 THR A 2 1.976 -19.645 2.339 1.00 0.99 O ATOM 216 CG2 THR A 2 1.242 -18.182 4.109 1.00 0.92 C ATOM 0 HA THR A 2 0.913 -17.056 1.836 1.00 0.81 H new ATOM 0 HB THR A 2 3.227 -18.307 3.307 1.00 0.86 H new ATOM 0 HG1 THR A 2 2.003 -19.556 1.363 1.00 0.99 H new ATOM 0 HG21 THR A 2 1.403 -18.975 4.839 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.419 -17.215 4.580 1.00 0.92 H new ATOM 0 HG23 THR A 2 0.215 -18.226 3.745 1.00 0.92 H new ATOM 224 N LEU A 3 1.897 -15.019 2.826 1.00 0.59 N ATOM 225 CA LEU A 3 2.413 -13.712 3.202 1.00 0.50 C ATOM 226 C LEU A 3 3.404 -13.823 4.349 1.00 0.49 C ATOM 227 O LEU A 3 3.075 -14.337 5.420 1.00 0.53 O ATOM 228 CB LEU A 3 1.286 -12.763 3.605 1.00 0.49 C ATOM 229 CG LEU A 3 1.108 -11.525 2.720 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.241 -10.508 3.421 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.444 -10.901 2.360 1.00 0.49 C ATOM 0 H LEU A 3 0.890 -15.124 2.952 1.00 0.59 H new ATOM 0 HA LEU A 3 2.921 -13.308 2.326 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.350 -13.322 3.608 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.463 -12.432 4.628 1.00 0.49 H new ATOM 0 HG LEU A 3 0.624 -11.843 1.796 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.120 -9.632 2.784 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.737 -10.944 3.628 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.712 -10.213 4.359 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.279 -10.026 1.732 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.963 -10.602 3.271 1.00 0.49 H new ATOM 0 HD23 LEU A 3 3.051 -11.627 1.819 1.00 0.49 H new ATOM 243 N PRO A 4 4.634 -13.358 4.120 1.00 0.50 N ATOM 244 CA PRO A 4 5.641 -13.247 5.171 1.00 0.54 C ATOM 245 C PRO A 4 5.130 -12.383 6.319 1.00 0.47 C ATOM 246 O PRO A 4 4.709 -11.243 6.104 1.00 0.42 O ATOM 247 CB PRO A 4 6.824 -12.561 4.476 1.00 0.60 C ATOM 248 CG PRO A 4 6.621 -12.804 3.019 1.00 0.61 C ATOM 249 CD PRO A 4 5.136 -12.915 2.812 1.00 0.52 C ATOM 0 HA PRO A 4 5.902 -14.213 5.604 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.845 -11.494 4.697 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.773 -12.976 4.815 1.00 0.60 H new ATOM 0 HG2 PRO A 4 7.036 -11.988 2.427 1.00 0.61 H new ATOM 0 HG3 PRO A 4 7.127 -13.716 2.703 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.700 -11.960 2.518 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.894 -13.631 2.027 1.00 0.52 H new ATOM 257 N ASP A 5 5.148 -12.947 7.527 1.00 0.51 N ATOM 258 CA ASP A 5 4.662 -12.263 8.734 1.00 0.51 C ATOM 259 C ASP A 5 5.258 -10.872 8.889 1.00 0.45 C ATOM 260 O ASP A 5 4.662 -10.004 9.527 1.00 0.44 O ATOM 261 CB ASP A 5 4.978 -13.084 9.987 1.00 0.63 C ATOM 262 CG ASP A 5 4.178 -14.366 10.068 1.00 1.50 C ATOM 263 OD1 ASP A 5 3.106 -14.364 10.706 1.00 2.09 O ATOM 264 OD2 ASP A 5 4.610 -15.386 9.485 1.00 2.19 O ATOM 0 H ASP A 5 5.498 -13.889 7.700 1.00 0.51 H new ATOM 0 HA ASP A 5 3.583 -12.162 8.619 1.00 0.51 H new ATOM 0 HB2 ASP A 5 6.041 -13.324 10.000 1.00 0.63 H new ATOM 0 HB3 ASP A 5 4.777 -12.480 10.872 1.00 0.63 H new ATOM 269 N LYS A 6 6.436 -10.668 8.316 1.00 0.45 N ATOM 270 CA LYS A 6 7.103 -9.373 8.356 1.00 0.45 C ATOM 271 C LYS A 6 6.245 -8.262 7.742 1.00 0.38 C ATOM 272 O LYS A 6 6.400 -7.094 8.096 1.00 0.42 O ATOM 273 CB LYS A 6 8.446 -9.452 7.629 1.00 0.56 C ATOM 274 CG LYS A 6 9.440 -10.399 8.279 1.00 1.10 C ATOM 275 CD LYS A 6 9.931 -9.865 9.612 1.00 1.64 C ATOM 276 CE LYS A 6 10.907 -10.825 10.269 1.00 2.01 C ATOM 277 NZ LYS A 6 11.477 -10.263 11.520 1.00 2.53 N ATOM 0 H LYS A 6 6.954 -11.389 7.814 1.00 0.45 H new ATOM 0 HA LYS A 6 7.265 -9.123 9.405 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.274 -9.770 6.601 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.884 -8.455 7.585 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.973 -11.373 8.426 1.00 1.10 H new ATOM 0 HG3 LYS A 6 10.289 -10.550 7.612 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.413 -8.899 9.463 1.00 1.64 H new ATOM 0 HD3 LYS A 6 9.081 -9.698 10.274 1.00 1.64 H new ATOM 0 HE2 LYS A 6 10.400 -11.764 10.491 1.00 2.01 H new ATOM 0 HE3 LYS A 6 11.714 -11.055 9.573 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 12.138 -10.948 11.939 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 11.983 -9.380 11.305 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 10.709 -10.067 12.194 1.00 2.53 H new ATOM 291 N PHE A 7 5.337 -8.613 6.831 1.00 0.36 N ATOM 292 CA PHE A 7 4.498 -7.616 6.176 1.00 0.35 C ATOM 293 C PHE A 7 3.165 -7.458 6.894 1.00 0.32 C ATOM 294 O PHE A 7 2.354 -6.619 6.518 1.00 0.35 O ATOM 295 CB PHE A 7 4.222 -8.002 4.716 1.00 0.39 C ATOM 296 CG PHE A 7 5.443 -8.038 3.843 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.359 -6.995 3.862 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.676 -9.114 3.005 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.480 -7.030 3.062 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.797 -9.151 2.204 1.00 0.54 C ATOM 301 CZ PHE A 7 7.695 -8.097 2.229 1.00 0.57 C ATOM 0 H PHE A 7 5.166 -9.573 6.533 1.00 0.36 H new ATOM 0 HA PHE A 7 5.043 -6.673 6.210 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.747 -8.983 4.696 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.509 -7.294 4.294 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.191 -6.148 4.510 1.00 0.52 H new ATOM 0 HD2 PHE A 7 4.973 -9.933 2.978 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.190 -6.216 3.091 1.00 0.60 H new ATOM 0 HE2 PHE A 7 6.974 -9.999 1.559 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.566 -8.116 1.591 1.00 0.57 H new ATOM 311 N LEU A 8 2.944 -8.250 7.934 1.00 0.30 N ATOM 312 CA LEU A 8 1.642 -8.300 8.576 1.00 0.29 C ATOM 313 C LEU A 8 1.582 -7.376 9.784 1.00 0.29 C ATOM 314 O LEU A 8 2.594 -7.113 10.438 1.00 0.33 O ATOM 315 CB LEU A 8 1.314 -9.737 8.977 1.00 0.34 C ATOM 316 CG LEU A 8 1.197 -10.705 7.800 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.968 -12.123 8.282 1.00 0.46 C ATOM 318 CD2 LEU A 8 0.075 -10.271 6.874 1.00 0.35 C ATOM 0 H LEU A 8 3.646 -8.863 8.348 1.00 0.30 H new ATOM 0 HA LEU A 8 0.895 -7.952 7.862 1.00 0.29 H new ATOM 0 HB2 LEU A 8 2.087 -10.099 9.655 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.376 -9.742 9.532 1.00 0.34 H new ATOM 0 HG LEU A 8 2.137 -10.686 7.248 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.888 -12.791 7.424 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.805 -12.434 8.908 1.00 0.46 H new ATOM 0 HD13 LEU A 8 0.046 -12.166 8.862 1.00 0.46 H new ATOM 0 HD21 LEU A 8 0.002 -10.968 6.040 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.867 -10.262 7.423 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.283 -9.271 6.494 1.00 0.35 H new ATOM 330 N GLY A 9 0.385 -6.899 10.067 1.00 0.32 N ATOM 331 CA GLY A 9 0.182 -5.953 11.140 1.00 0.33 C ATOM 332 C GLY A 9 -0.331 -4.636 10.609 1.00 0.31 C ATOM 333 O GLY A 9 -0.595 -4.506 9.411 1.00 0.52 O ATOM 0 H GLY A 9 -0.464 -7.155 9.564 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.528 -6.361 11.860 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.120 -5.794 11.672 1.00 0.33 H new ATOM 337 N THR A 10 -0.485 -3.658 11.479 1.00 0.34 N ATOM 338 CA THR A 10 -0.939 -2.351 11.055 1.00 0.35 C ATOM 339 C THR A 10 0.165 -1.323 11.259 1.00 0.32 C ATOM 340 O THR A 10 0.911 -1.375 12.238 1.00 0.40 O ATOM 341 CB THR A 10 -2.214 -1.916 11.800 1.00 0.38 C ATOM 342 OG1 THR A 10 -2.756 -0.722 11.215 1.00 1.05 O ATOM 343 CG2 THR A 10 -1.920 -1.683 13.259 1.00 0.99 C ATOM 0 H THR A 10 -0.303 -3.744 12.479 1.00 0.34 H new ATOM 0 HA THR A 10 -1.184 -2.415 9.995 1.00 0.35 H new ATOM 0 HB THR A 10 -2.949 -2.716 11.712 1.00 0.38 H new ATOM 0 HG1 THR A 10 -2.454 -0.647 10.286 1.00 1.05 H new ATOM 0 HG21 THR A 10 -2.833 -1.376 13.770 1.00 0.99 H new ATOM 0 HG22 THR A 10 -1.546 -2.604 13.706 1.00 0.99 H new ATOM 0 HG23 THR A 10 -1.168 -0.900 13.358 1.00 0.99 H new ATOM 351 N PHE A 11 0.280 -0.412 10.316 1.00 0.27 N ATOM 352 CA PHE A 11 1.349 0.573 10.326 1.00 0.27 C ATOM 353 C PHE A 11 0.812 1.987 10.139 1.00 0.28 C ATOM 354 O PHE A 11 0.018 2.233 9.231 1.00 0.32 O ATOM 355 CB PHE A 11 2.356 0.266 9.208 1.00 0.31 C ATOM 356 CG PHE A 11 2.924 -1.132 9.241 1.00 0.33 C ATOM 357 CD1 PHE A 11 4.085 -1.407 9.944 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.296 -2.170 8.564 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.610 -2.686 9.975 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.816 -3.450 8.592 1.00 0.43 C ATOM 361 CZ PHE A 11 3.974 -3.709 9.297 1.00 0.44 C ATOM 0 H PHE A 11 -0.358 -0.330 9.525 1.00 0.27 H new ATOM 0 HA PHE A 11 1.839 0.516 11.298 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.870 0.424 8.245 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.178 0.980 9.271 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.587 -0.612 10.475 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.390 -1.974 8.009 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.516 -2.885 10.528 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.316 -4.248 8.062 1.00 0.43 H new ATOM 0 HZ PHE A 11 4.382 -4.709 9.319 1.00 0.44 H new ATOM 371 N LYS A 12 1.235 2.912 11.000 1.00 0.29 N ATOM 372 CA LYS A 12 0.973 4.324 10.768 1.00 0.33 C ATOM 373 C LYS A 12 2.164 4.964 10.038 1.00 0.27 C ATOM 374 O LYS A 12 3.325 4.714 10.369 1.00 0.69 O ATOM 375 CB LYS A 12 0.665 5.053 12.089 1.00 0.48 C ATOM 376 CG LYS A 12 1.755 4.962 13.155 1.00 0.78 C ATOM 377 CD LYS A 12 2.830 6.028 12.986 1.00 1.28 C ATOM 378 CE LYS A 12 2.287 7.428 13.231 1.00 1.72 C ATOM 379 NZ LYS A 12 3.304 8.475 12.958 1.00 2.19 N ATOM 0 H LYS A 12 1.754 2.708 11.854 1.00 0.29 H new ATOM 0 HA LYS A 12 0.091 4.418 10.135 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.481 6.105 11.870 1.00 0.48 H new ATOM 0 HB3 LYS A 12 -0.259 4.647 12.502 1.00 0.48 H new ATOM 0 HG2 LYS A 12 1.302 5.061 14.142 1.00 0.78 H new ATOM 0 HG3 LYS A 12 2.217 3.976 13.114 1.00 0.78 H new ATOM 0 HD2 LYS A 12 3.649 5.830 13.678 1.00 1.28 H new ATOM 0 HD3 LYS A 12 3.243 5.970 11.979 1.00 1.28 H new ATOM 0 HE2 LYS A 12 1.416 7.595 12.597 1.00 1.72 H new ATOM 0 HE3 LYS A 12 1.950 7.510 14.264 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 2.985 9.381 13.356 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 4.208 8.204 13.396 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 3.433 8.574 11.931 1.00 2.19 H new ATOM 393 N LEU A 13 1.869 5.746 9.010 1.00 0.60 N ATOM 394 CA LEU A 13 2.898 6.462 8.258 1.00 0.50 C ATOM 395 C LEU A 13 3.714 7.360 9.191 1.00 0.46 C ATOM 396 O LEU A 13 3.157 8.198 9.906 1.00 0.52 O ATOM 397 CB LEU A 13 2.229 7.279 7.135 1.00 0.52 C ATOM 398 CG LEU A 13 3.156 7.916 6.086 1.00 0.55 C ATOM 399 CD1 LEU A 13 3.718 9.236 6.579 1.00 1.14 C ATOM 400 CD2 LEU A 13 4.285 6.967 5.709 1.00 1.04 C ATOM 0 H LEU A 13 0.919 5.904 8.673 1.00 0.60 H new ATOM 0 HA LEU A 13 3.587 5.748 7.807 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.527 6.628 6.615 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.644 8.074 7.597 1.00 0.52 H new ATOM 0 HG LEU A 13 2.559 8.112 5.196 1.00 0.55 H new ATOM 0 HD11 LEU A 13 4.369 9.662 5.816 1.00 1.14 H new ATOM 0 HD12 LEU A 13 2.900 9.926 6.784 1.00 1.14 H new ATOM 0 HD13 LEU A 13 4.290 9.070 7.492 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.926 7.441 4.966 1.00 1.04 H new ATOM 0 HD22 LEU A 13 4.872 6.729 6.596 1.00 1.04 H new ATOM 0 HD23 LEU A 13 3.866 6.050 5.295 1.00 1.04 H new ATOM 412 N GLU A 14 5.029 7.162 9.204 1.00 0.45 N ATOM 413 CA GLU A 14 5.908 7.967 10.040 1.00 0.48 C ATOM 414 C GLU A 14 6.565 9.080 9.225 1.00 0.45 C ATOM 415 O GLU A 14 6.605 10.231 9.661 1.00 0.49 O ATOM 416 CB GLU A 14 6.971 7.086 10.706 1.00 0.55 C ATOM 417 CG GLU A 14 7.794 7.817 11.755 1.00 0.67 C ATOM 418 CD GLU A 14 8.659 6.885 12.580 1.00 1.17 C ATOM 419 OE1 GLU A 14 9.900 6.957 12.465 1.00 2.08 O ATOM 420 OE2 GLU A 14 8.104 6.077 13.356 1.00 1.56 O ATOM 0 H GLU A 14 5.506 6.453 8.647 1.00 0.45 H new ATOM 0 HA GLU A 14 5.305 8.430 10.821 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.483 6.230 11.171 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.639 6.694 9.939 1.00 0.55 H new ATOM 0 HG2 GLU A 14 8.429 8.554 11.263 1.00 0.67 H new ATOM 0 HG3 GLU A 14 7.124 8.365 12.418 1.00 0.67 H new ATOM 427 N ARG A 15 7.071 8.745 8.040 1.00 0.42 N ATOM 428 CA ARG A 15 7.706 9.739 7.183 1.00 0.44 C ATOM 429 C ARG A 15 7.610 9.338 5.714 1.00 0.37 C ATOM 430 O ARG A 15 7.117 8.259 5.382 1.00 0.38 O ATOM 431 CB ARG A 15 9.177 9.911 7.552 1.00 0.51 C ATOM 432 CG ARG A 15 10.041 8.740 7.121 1.00 0.53 C ATOM 433 CD ARG A 15 11.510 9.029 7.326 1.00 0.77 C ATOM 434 NE ARG A 15 11.972 10.178 6.544 1.00 1.68 N ATOM 435 CZ ARG A 15 12.603 11.228 7.069 1.00 2.34 C ATOM 436 NH1 ARG A 15 12.784 11.313 8.382 1.00 2.45 N ATOM 437 NH2 ARG A 15 13.039 12.200 6.282 1.00 3.36 N ATOM 0 H ARG A 15 7.053 7.801 7.655 1.00 0.42 H new ATOM 0 HA ARG A 15 7.179 10.681 7.334 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.556 10.823 7.092 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.262 10.039 8.631 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.761 7.852 7.688 1.00 0.53 H new ATOM 0 HG3 ARG A 15 9.856 8.518 6.070 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.696 9.216 8.384 1.00 0.77 H new ATOM 0 HD3 ARG A 15 12.092 8.149 7.051 1.00 0.77 H new ATOM 0 HE ARG A 15 11.801 10.174 5.538 1.00 1.68 H new ATOM 0 HH11 ARG A 15 12.440 10.573 8.993 1.00 2.45 H new ATOM 0 HH12 ARG A 15 13.268 12.119 8.779 1.00 2.45 H new ATOM 0 HH21 ARG A 15 12.892 12.145 5.274 1.00 3.36 H new ATOM 0 HH22 ARG A 15 13.522 13.004 6.684 1.00 3.36 H new ATOM 451 N ASP A 16 8.128 10.197 4.851 1.00 0.38 N ATOM 452 CA ASP A 16 8.103 9.966 3.412 1.00 0.43 C ATOM 453 C ASP A 16 9.267 10.688 2.756 1.00 0.39 C ATOM 454 O ASP A 16 9.750 11.691 3.277 1.00 0.52 O ATOM 455 CB ASP A 16 6.780 10.440 2.791 1.00 0.66 C ATOM 456 CG ASP A 16 6.545 11.933 2.949 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.831 12.340 3.889 1.00 1.19 O ATOM 458 OD2 ASP A 16 7.094 12.710 2.142 1.00 0.72 O ATOM 0 H ASP A 16 8.576 11.071 5.125 1.00 0.38 H new ATOM 0 HA ASP A 16 8.191 8.893 3.240 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.773 10.188 1.731 1.00 0.66 H new ATOM 0 HB3 ASP A 16 5.955 9.898 3.253 1.00 0.66 H new ATOM 463 N GLU A 17 9.715 10.176 1.622 1.00 0.36 N ATOM 464 CA GLU A 17 10.849 10.753 0.915 1.00 0.38 C ATOM 465 C GLU A 17 10.534 10.916 -0.566 1.00 0.40 C ATOM 466 O GLU A 17 10.251 9.933 -1.251 1.00 0.83 O ATOM 467 CB GLU A 17 12.087 9.868 1.084 1.00 0.48 C ATOM 468 CG GLU A 17 12.677 9.895 2.483 1.00 1.18 C ATOM 469 CD GLU A 17 13.218 11.261 2.853 1.00 1.83 C ATOM 470 OE1 GLU A 17 14.254 11.663 2.288 1.00 2.66 O ATOM 471 OE2 GLU A 17 12.621 11.929 3.717 1.00 2.13 O ATOM 0 H GLU A 17 9.309 9.358 1.168 1.00 0.36 H new ATOM 0 HA GLU A 17 11.050 11.736 1.341 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.824 8.841 0.831 1.00 0.48 H new ATOM 0 HB3 GLU A 17 12.849 10.187 0.373 1.00 0.48 H new ATOM 0 HG2 GLU A 17 11.913 9.602 3.203 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.478 9.159 2.551 1.00 1.18 H new ATOM 478 N ASN A 18 10.560 12.162 -1.039 1.00 0.34 N ATOM 479 CA ASN A 18 10.370 12.480 -2.460 1.00 0.30 C ATOM 480 C ASN A 18 8.944 12.137 -2.901 1.00 0.28 C ATOM 481 O ASN A 18 8.683 11.780 -4.055 1.00 0.27 O ATOM 482 CB ASN A 18 11.416 11.735 -3.307 1.00 0.32 C ATOM 483 CG ASN A 18 11.675 12.388 -4.652 1.00 0.42 C ATOM 484 OD1 ASN A 18 12.466 13.328 -4.753 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.048 11.878 -5.697 1.00 0.66 N ATOM 0 H ASN A 18 10.713 12.981 -0.451 1.00 0.34 H new ATOM 0 HA ASN A 18 10.511 13.550 -2.609 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.352 11.681 -2.751 1.00 0.32 H new ATOM 0 HB3 ASN A 18 11.081 10.710 -3.467 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.212 12.262 -6.628 1.00 0.66 H new ATOM 0 HD22 ASN A 18 10.400 11.100 -5.573 1.00 0.66 H new ATOM 492 N PHE A 19 8.019 12.269 -1.959 1.00 0.30 N ATOM 493 CA PHE A 19 6.623 11.932 -2.196 1.00 0.31 C ATOM 494 C PHE A 19 5.943 13.036 -2.998 1.00 0.31 C ATOM 495 O PHE A 19 5.149 12.761 -3.898 1.00 0.32 O ATOM 496 CB PHE A 19 5.892 11.698 -0.870 1.00 0.37 C ATOM 497 CG PHE A 19 4.488 11.189 -1.030 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.236 10.009 -1.711 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.420 11.890 -0.495 1.00 0.45 C ATOM 500 CE1 PHE A 19 2.946 9.541 -1.856 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.128 11.426 -0.637 1.00 0.48 C ATOM 502 CZ PHE A 19 1.892 10.246 -1.335 1.00 0.44 C ATOM 0 H PHE A 19 8.213 12.610 -1.017 1.00 0.30 H new ATOM 0 HA PHE A 19 6.582 11.009 -2.774 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.461 10.984 -0.274 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.867 12.633 -0.310 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.058 9.450 -2.133 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.600 12.811 0.040 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.766 8.615 -2.382 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.304 11.977 -0.208 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.882 9.887 -1.466 1.00 0.44 H new ATOM 512 N ASP A 20 6.263 14.284 -2.665 1.00 0.33 N ATOM 513 CA ASP A 20 5.759 15.438 -3.406 1.00 0.37 C ATOM 514 C ASP A 20 6.100 15.308 -4.888 1.00 0.33 C ATOM 515 O ASP A 20 5.220 15.385 -5.748 1.00 0.33 O ATOM 516 CB ASP A 20 6.368 16.726 -2.837 1.00 0.46 C ATOM 517 CG ASP A 20 5.744 17.982 -3.414 1.00 1.08 C ATOM 518 OD1 ASP A 20 6.289 18.535 -4.395 1.00 1.22 O ATOM 519 OD2 ASP A 20 4.716 18.438 -2.872 1.00 2.04 O ATOM 0 H ASP A 20 6.872 14.523 -1.883 1.00 0.33 H new ATOM 0 HA ASP A 20 4.675 15.478 -3.302 1.00 0.37 H new ATOM 0 HB2 ASP A 20 6.246 16.731 -1.754 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.439 16.734 -3.037 1.00 0.46 H new ATOM 524 N GLU A 21 7.383 15.095 -5.166 1.00 0.34 N ATOM 525 CA GLU A 21 7.867 14.881 -6.524 1.00 0.35 C ATOM 526 C GLU A 21 7.078 13.783 -7.231 1.00 0.31 C ATOM 527 O GLU A 21 6.678 13.945 -8.385 1.00 0.34 O ATOM 528 CB GLU A 21 9.348 14.512 -6.510 1.00 0.41 C ATOM 529 CG GLU A 21 10.279 15.678 -6.221 1.00 0.51 C ATOM 530 CD GLU A 21 10.107 16.268 -4.836 1.00 1.14 C ATOM 531 OE1 GLU A 21 9.811 15.496 -3.898 1.00 1.65 O ATOM 532 OE2 GLU A 21 10.269 17.494 -4.674 1.00 1.79 O ATOM 0 H GLU A 21 8.115 15.066 -4.456 1.00 0.34 H new ATOM 0 HA GLU A 21 7.728 15.814 -7.071 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.511 13.738 -5.760 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.613 14.081 -7.476 1.00 0.41 H new ATOM 0 HG2 GLU A 21 11.310 15.345 -6.339 1.00 0.51 H new ATOM 0 HG3 GLU A 21 10.109 16.459 -6.962 1.00 0.51 H new ATOM 539 N TYR A 22 6.861 12.669 -6.539 1.00 0.29 N ATOM 540 CA TYR A 22 6.101 11.561 -7.105 1.00 0.28 C ATOM 541 C TYR A 22 4.680 11.988 -7.468 1.00 0.30 C ATOM 542 O TYR A 22 4.134 11.557 -8.486 1.00 0.33 O ATOM 543 CB TYR A 22 6.055 10.385 -6.133 1.00 0.30 C ATOM 544 CG TYR A 22 5.204 9.238 -6.625 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.915 9.044 -6.142 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.685 8.353 -7.581 1.00 0.38 C ATOM 547 CE1 TYR A 22 3.134 8.001 -6.596 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.908 7.308 -8.039 1.00 0.44 C ATOM 549 CZ TYR A 22 3.636 7.136 -7.542 1.00 0.50 C ATOM 550 OH TYR A 22 2.862 6.093 -7.992 1.00 0.57 O ATOM 0 H TYR A 22 7.199 12.510 -5.590 1.00 0.29 H new ATOM 0 HA TYR A 22 6.610 11.249 -8.017 1.00 0.28 H new ATOM 0 HB2 TYR A 22 7.070 10.027 -5.958 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.669 10.730 -5.174 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.518 9.721 -5.399 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.683 8.484 -7.972 1.00 0.38 H new ATOM 0 HE1 TYR A 22 2.134 7.864 -6.211 1.00 0.48 H new ATOM 0 HE2 TYR A 22 5.296 6.629 -8.784 1.00 0.44 H new ATOM 0 HH TYR A 22 1.929 6.242 -7.733 1.00 0.57 H new ATOM 560 N LEU A 23 4.087 12.840 -6.639 1.00 0.28 N ATOM 561 CA LEU A 23 2.726 13.302 -6.873 1.00 0.30 C ATOM 562 C LEU A 23 2.660 14.099 -8.168 1.00 0.34 C ATOM 563 O LEU A 23 1.712 13.974 -8.941 1.00 0.37 O ATOM 564 CB LEU A 23 2.239 14.144 -5.694 1.00 0.30 C ATOM 565 CG LEU A 23 2.098 13.369 -4.382 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.705 14.296 -3.247 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.076 12.255 -4.537 1.00 0.32 C ATOM 0 H LEU A 23 4.526 13.223 -5.802 1.00 0.28 H new ATOM 0 HA LEU A 23 2.071 12.436 -6.966 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.933 14.970 -5.541 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.274 14.582 -5.949 1.00 0.30 H new ATOM 0 HG LEU A 23 3.064 12.927 -4.139 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.611 13.723 -2.325 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.470 15.062 -3.121 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.751 14.770 -3.478 1.00 0.33 H new ATOM 0 HD21 LEU A 23 0.985 11.711 -3.597 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.110 12.682 -4.804 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.399 11.571 -5.322 1.00 0.32 H new ATOM 579 N LYS A 24 3.696 14.889 -8.414 1.00 0.34 N ATOM 580 CA LYS A 24 3.788 15.663 -9.641 1.00 0.39 C ATOM 581 C LYS A 24 3.935 14.729 -10.837 1.00 0.40 C ATOM 582 O LYS A 24 3.239 14.872 -11.843 1.00 0.44 O ATOM 583 CB LYS A 24 4.980 16.614 -9.581 1.00 0.41 C ATOM 584 CG LYS A 24 4.936 17.577 -8.405 1.00 0.45 C ATOM 585 CD LYS A 24 6.140 18.505 -8.396 1.00 0.55 C ATOM 586 CE LYS A 24 6.174 19.388 -9.633 1.00 1.35 C ATOM 587 NZ LYS A 24 7.374 20.263 -9.656 1.00 1.88 N ATOM 0 H LYS A 24 4.485 15.010 -7.778 1.00 0.34 H new ATOM 0 HA LYS A 24 2.875 16.248 -9.752 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.898 16.029 -9.526 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.023 17.187 -10.507 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.021 18.168 -8.452 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.904 17.013 -7.473 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.112 19.129 -7.503 1.00 0.55 H new ATOM 0 HD3 LYS A 24 7.055 17.915 -8.344 1.00 0.55 H new ATOM 0 HE2 LYS A 24 6.163 18.763 -10.526 1.00 1.35 H new ATOM 0 HE3 LYS A 24 5.275 20.004 -9.664 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 7.360 20.849 -10.515 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 7.371 20.878 -8.817 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 8.232 19.676 -9.652 1.00 1.88 H new ATOM 601 N ALA A 25 4.846 13.769 -10.703 1.00 0.40 N ATOM 602 CA ALA A 25 5.094 12.776 -11.743 1.00 0.43 C ATOM 603 C ALA A 25 3.813 12.040 -12.126 1.00 0.43 C ATOM 604 O ALA A 25 3.511 11.876 -13.307 1.00 0.44 O ATOM 605 CB ALA A 25 6.154 11.786 -11.280 1.00 0.43 C ATOM 0 H ALA A 25 5.430 13.658 -9.874 1.00 0.40 H new ATOM 0 HA ALA A 25 5.456 13.299 -12.628 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.331 11.050 -12.064 1.00 0.43 H new ATOM 0 HB2 ALA A 25 7.081 12.319 -11.066 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.810 11.280 -10.378 1.00 0.43 H new ATOM 611 N ARG A 26 3.046 11.634 -11.120 1.00 0.43 N ATOM 612 CA ARG A 26 1.811 10.882 -11.343 1.00 0.45 C ATOM 613 C ARG A 26 0.704 11.750 -11.926 1.00 0.47 C ATOM 614 O ARG A 26 -0.381 11.254 -12.235 1.00 0.51 O ATOM 615 CB ARG A 26 1.332 10.229 -10.051 1.00 0.48 C ATOM 616 CG ARG A 26 1.853 8.818 -9.860 1.00 0.85 C ATOM 617 CD ARG A 26 1.324 7.877 -10.932 1.00 0.72 C ATOM 618 NE ARG A 26 -0.136 7.792 -10.918 1.00 0.76 N ATOM 619 CZ ARG A 26 -0.903 7.801 -12.013 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.354 7.892 -13.219 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.222 7.713 -11.900 1.00 1.06 N ATOM 0 H ARG A 26 3.257 11.813 -10.138 1.00 0.43 H new ATOM 0 HA ARG A 26 2.044 10.106 -12.073 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.645 10.841 -9.205 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.242 10.210 -10.045 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.943 8.825 -9.886 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.560 8.451 -8.876 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.657 8.220 -11.911 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.746 6.883 -10.782 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.600 7.721 -10.012 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.660 7.956 -13.314 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -0.946 7.898 -14.050 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.651 7.638 -10.978 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -2.807 7.720 -12.736 1.00 1.06 H new ATOM 635 N GLY A 27 0.968 13.034 -12.073 1.00 0.46 N ATOM 636 CA GLY A 27 0.004 13.914 -12.690 1.00 0.49 C ATOM 637 C GLY A 27 -0.974 14.493 -11.694 1.00 0.50 C ATOM 638 O GLY A 27 -2.099 14.841 -12.052 1.00 0.62 O ATOM 0 H GLY A 27 1.834 13.484 -11.776 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.529 14.726 -13.193 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.545 13.366 -13.456 1.00 0.49 H new ATOM 642 N TYR A 28 -0.561 14.578 -10.439 1.00 0.48 N ATOM 643 CA TYR A 28 -1.362 15.240 -9.430 1.00 0.53 C ATOM 644 C TYR A 28 -1.004 16.712 -9.392 1.00 0.56 C ATOM 645 O TYR A 28 0.165 17.069 -9.223 1.00 0.54 O ATOM 646 CB TYR A 28 -1.140 14.617 -8.048 1.00 0.51 C ATOM 647 CG TYR A 28 -1.742 13.242 -7.892 1.00 0.53 C ATOM 648 CD1 TYR A 28 -0.935 12.116 -7.888 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.113 13.067 -7.759 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.467 10.855 -7.750 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.660 11.805 -7.624 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.870 10.721 -7.591 1.00 0.60 C ATOM 653 OH TYR A 28 -3.372 9.444 -7.465 1.00 0.64 O ATOM 0 H TYR A 28 0.322 14.197 -10.099 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.414 15.119 -9.689 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.069 14.558 -7.855 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.564 15.276 -7.291 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.134 12.231 -7.995 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.762 13.930 -7.761 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -0.829 9.984 -7.762 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.731 11.691 -7.545 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.346 9.484 -7.361 1.00 0.64 H new ATOM 663 N GLY A 29 -2.003 17.560 -9.566 1.00 0.68 N ATOM 664 CA GLY A 29 -1.772 18.985 -9.519 1.00 0.80 C ATOM 665 C GLY A 29 -1.629 19.463 -8.095 1.00 0.88 C ATOM 666 O GLY A 29 -1.644 18.648 -7.169 1.00 1.54 O ATOM 0 H GLY A 29 -2.970 17.286 -9.739 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.870 19.230 -10.081 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.599 19.507 -10.000 1.00 0.80 H new ATOM 670 N TRP A 30 -1.508 20.773 -7.906 1.00 0.54 N ATOM 671 CA TRP A 30 -1.340 21.332 -6.572 1.00 0.56 C ATOM 672 C TRP A 30 -2.454 20.871 -5.643 1.00 0.54 C ATOM 673 O TRP A 30 -2.204 20.531 -4.493 1.00 0.52 O ATOM 674 CB TRP A 30 -1.312 22.865 -6.600 1.00 0.65 C ATOM 675 CG TRP A 30 -1.318 23.450 -5.218 1.00 0.75 C ATOM 676 CD1 TRP A 30 -0.235 23.667 -4.417 1.00 0.84 C ATOM 677 CD2 TRP A 30 -2.468 23.855 -4.461 1.00 0.86 C ATOM 678 NE1 TRP A 30 -0.640 24.177 -3.207 1.00 0.98 N ATOM 679 CE2 TRP A 30 -2.006 24.302 -3.213 1.00 0.99 C ATOM 680 CE3 TRP A 30 -3.843 23.881 -4.715 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -2.868 24.766 -2.228 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -4.695 24.345 -3.735 1.00 1.07 C ATOM 683 CH2 TRP A 30 -4.207 24.781 -2.505 1.00 1.18 C ATOM 0 H TRP A 30 -1.523 21.463 -8.657 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.382 20.971 -6.198 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.423 23.202 -7.133 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -2.175 23.234 -7.154 1.00 0.65 H new ATOM 0 HD1 TRP A 30 0.790 23.467 -4.693 1.00 0.84 H new ATOM 0 HE1 TRP A 30 -0.025 24.423 -2.431 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -4.232 23.543 -5.664 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -2.493 25.104 -1.273 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -5.758 24.371 -3.924 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -4.899 25.137 -1.756 1.00 1.18 H new ATOM 694 N ILE A 31 -3.676 20.851 -6.154 1.00 0.60 N ATOM 695 CA ILE A 31 -4.842 20.548 -5.336 1.00 0.63 C ATOM 696 C ILE A 31 -4.691 19.192 -4.686 1.00 0.53 C ATOM 697 O ILE A 31 -4.772 19.062 -3.462 1.00 0.51 O ATOM 698 CB ILE A 31 -6.156 20.580 -6.147 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.530 22.015 -6.509 1.00 1.05 C ATOM 700 CG2 ILE A 31 -7.278 19.917 -5.369 1.00 0.69 C ATOM 701 CD1 ILE A 31 -5.584 22.645 -7.495 1.00 2.16 C ATOM 0 H ILE A 31 -3.887 21.041 -7.134 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.900 21.324 -4.573 1.00 0.63 H new ATOM 0 HB ILE A 31 -6.002 20.023 -7.071 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -7.538 22.027 -6.924 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -6.552 22.618 -5.601 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -8.196 19.949 -5.956 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -7.015 18.879 -5.163 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -7.430 20.446 -4.428 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -5.907 23.664 -7.709 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -4.579 22.664 -7.074 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.580 22.064 -8.417 1.00 2.16 H new ATOM 713 N MET A 32 -4.450 18.191 -5.507 1.00 0.48 N ATOM 714 CA MET A 32 -4.269 16.854 -5.011 1.00 0.43 C ATOM 715 C MET A 32 -3.005 16.760 -4.184 1.00 0.38 C ATOM 716 O MET A 32 -3.017 16.206 -3.095 1.00 0.39 O ATOM 717 CB MET A 32 -4.238 15.850 -6.159 1.00 0.48 C ATOM 718 CG MET A 32 -5.609 15.609 -6.755 1.00 0.55 C ATOM 719 SD MET A 32 -6.276 13.983 -6.370 1.00 0.97 S ATOM 720 CE MET A 32 -6.362 14.095 -4.587 1.00 0.48 C ATOM 0 H MET A 32 -4.376 18.284 -6.520 1.00 0.48 H new ATOM 0 HA MET A 32 -5.117 16.610 -4.371 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.566 16.213 -6.937 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.830 14.905 -5.800 1.00 0.48 H new ATOM 0 HG2 MET A 32 -6.296 16.372 -6.389 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.552 15.724 -7.837 1.00 0.55 H new ATOM 0 HE1 MET A 32 -6.707 13.145 -4.179 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.373 14.323 -4.189 1.00 0.48 H new ATOM 0 HE3 MET A 32 -7.058 14.885 -4.305 1.00 0.48 H new ATOM 730 N ARG A 33 -1.931 17.343 -4.689 1.00 0.39 N ATOM 731 CA ARG A 33 -0.642 17.296 -4.018 1.00 0.41 C ATOM 732 C ARG A 33 -0.739 17.907 -2.623 1.00 0.45 C ATOM 733 O ARG A 33 -0.041 17.491 -1.699 1.00 0.60 O ATOM 734 CB ARG A 33 0.394 18.032 -4.861 1.00 0.49 C ATOM 735 CG ARG A 33 1.826 17.787 -4.435 1.00 0.90 C ATOM 736 CD ARG A 33 2.796 18.216 -5.520 1.00 0.71 C ATOM 737 NE ARG A 33 2.692 19.647 -5.818 1.00 0.77 N ATOM 738 CZ ARG A 33 2.426 20.143 -7.029 1.00 0.99 C ATOM 739 NH1 ARG A 33 2.136 19.331 -8.040 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.424 21.453 -7.223 1.00 1.03 N ATOM 0 H ARG A 33 -1.927 17.859 -5.569 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.334 16.256 -3.904 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.280 17.731 -5.902 1.00 0.49 H new ATOM 0 HB3 ARG A 33 0.191 19.102 -4.815 1.00 0.49 H new ATOM 0 HG2 ARG A 33 2.035 18.336 -3.517 1.00 0.90 H new ATOM 0 HG3 ARG A 33 1.967 16.729 -4.213 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.814 17.984 -5.208 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.602 17.642 -6.426 1.00 0.71 H new ATOM 0 HE ARG A 33 2.832 20.306 -5.052 1.00 0.77 H new ATOM 0 HH11 ARG A 33 2.115 18.322 -7.894 1.00 1.87 H new ATOM 0 HH12 ARG A 33 1.934 19.717 -8.962 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.626 22.084 -6.447 1.00 1.03 H new ATOM 0 HH22 ARG A 33 2.221 21.831 -8.148 1.00 1.03 H new ATOM 754 N GLN A 34 -1.620 18.886 -2.481 1.00 0.41 N ATOM 755 CA GLN A 34 -1.869 19.521 -1.202 1.00 0.46 C ATOM 756 C GLN A 34 -2.638 18.565 -0.292 1.00 0.47 C ATOM 757 O GLN A 34 -2.238 18.323 0.845 1.00 0.58 O ATOM 758 CB GLN A 34 -2.658 20.823 -1.417 1.00 0.51 C ATOM 759 CG GLN A 34 -2.589 21.814 -0.259 1.00 0.80 C ATOM 760 CD GLN A 34 -3.387 21.388 0.964 1.00 1.39 C ATOM 761 OE1 GLN A 34 -2.998 21.670 2.098 1.00 1.88 O ATOM 762 NE2 GLN A 34 -4.524 20.744 0.745 1.00 1.97 N ATOM 0 H GLN A 34 -2.179 19.259 -3.248 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.921 19.765 -0.723 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -2.286 21.312 -2.317 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -3.703 20.572 -1.599 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.546 21.950 0.029 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.954 22.783 -0.600 1.00 0.80 H new ATOM 0 HE21 GLN A 34 -4.812 20.528 -0.209 1.00 1.97 H new ATOM 0 HE22 GLN A 34 -5.111 20.464 1.531 1.00 1.97 H new ATOM 771 N VAL A 35 -3.718 17.995 -0.821 1.00 0.42 N ATOM 772 CA VAL A 35 -4.620 17.150 -0.043 1.00 0.42 C ATOM 773 C VAL A 35 -3.945 15.844 0.357 1.00 0.40 C ATOM 774 O VAL A 35 -3.935 15.467 1.526 1.00 0.44 O ATOM 775 CB VAL A 35 -5.891 16.835 -0.866 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.738 15.762 -0.204 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.707 18.096 -1.071 1.00 0.65 C ATOM 0 H VAL A 35 -3.992 18.105 -1.797 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.889 17.694 0.862 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.572 16.452 -1.835 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.622 15.569 -0.812 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -6.155 14.846 -0.109 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -7.046 16.100 0.785 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.599 17.862 -1.652 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -7.000 18.501 -0.102 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -6.109 18.833 -1.606 1.00 0.65 H new ATOM 787 N ILE A 36 -3.418 15.161 -0.643 1.00 0.38 N ATOM 788 CA ILE A 36 -2.715 13.895 -0.481 1.00 0.39 C ATOM 789 C ILE A 36 -1.691 13.906 0.656 1.00 0.46 C ATOM 790 O ILE A 36 -1.593 12.943 1.416 1.00 0.51 O ATOM 791 CB ILE A 36 -2.048 13.528 -1.812 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.155 13.303 -2.845 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.178 12.301 -1.662 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.673 13.083 -4.253 1.00 0.51 C ATOM 0 H ILE A 36 -3.466 15.475 -1.612 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.451 13.141 -0.201 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.394 14.336 -2.140 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.746 12.440 -2.540 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.822 14.165 -2.835 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.717 12.063 -2.620 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.400 12.495 -0.923 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -1.789 11.460 -1.334 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.529 12.933 -4.911 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.108 13.954 -4.585 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.032 12.202 -4.285 1.00 0.51 H new ATOM 806 N LYS A 37 -0.950 14.994 0.797 1.00 0.52 N ATOM 807 CA LYS A 37 0.074 15.067 1.831 1.00 0.67 C ATOM 808 C LYS A 37 -0.525 15.407 3.199 1.00 0.66 C ATOM 809 O LYS A 37 0.142 15.283 4.227 1.00 0.79 O ATOM 810 CB LYS A 37 1.155 16.076 1.445 1.00 0.91 C ATOM 811 CG LYS A 37 1.880 15.705 0.161 1.00 0.75 C ATOM 812 CD LYS A 37 3.085 16.595 -0.089 1.00 0.94 C ATOM 813 CE LYS A 37 2.698 18.061 -0.182 1.00 0.70 C ATOM 814 NZ LYS A 37 3.881 18.928 -0.416 1.00 0.97 N ATOM 0 H LYS A 37 -1.035 15.829 0.218 1.00 0.52 H new ATOM 0 HA LYS A 37 0.532 14.081 1.913 1.00 0.67 H new ATOM 0 HB2 LYS A 37 0.701 17.060 1.329 1.00 0.91 H new ATOM 0 HB3 LYS A 37 1.879 16.153 2.256 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.202 14.665 0.214 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.191 15.783 -0.680 1.00 0.75 H new ATOM 0 HD2 LYS A 37 3.808 16.461 0.715 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.576 16.290 -1.013 1.00 0.94 H new ATOM 0 HE2 LYS A 37 1.981 18.197 -0.992 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.200 18.365 0.739 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 3.710 19.867 -0.004 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.718 18.501 0.030 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.045 19.023 -1.439 1.00 0.97 H new ATOM 828 N LEU A 38 -1.786 15.823 3.209 1.00 0.63 N ATOM 829 CA LEU A 38 -2.511 16.072 4.456 1.00 0.70 C ATOM 830 C LEU A 38 -3.245 14.814 4.903 1.00 0.65 C ATOM 831 O LEU A 38 -4.039 14.838 5.847 1.00 0.91 O ATOM 832 CB LEU A 38 -3.511 17.221 4.288 1.00 0.82 C ATOM 833 CG LEU A 38 -2.990 18.617 4.643 1.00 1.08 C ATOM 834 CD1 LEU A 38 -2.700 18.720 6.131 1.00 2.08 C ATOM 835 CD2 LEU A 38 -1.744 18.947 3.839 1.00 1.61 C ATOM 0 H LEU A 38 -2.332 15.997 2.365 1.00 0.63 H new ATOM 0 HA LEU A 38 -1.783 16.352 5.217 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -3.850 17.233 3.252 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -4.383 17.011 4.907 1.00 0.82 H new ATOM 0 HG LEU A 38 -3.765 19.341 4.391 1.00 1.08 H new ATOM 0 HD11 LEU A 38 -2.331 19.719 6.361 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -3.614 18.532 6.694 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -1.946 17.982 6.407 1.00 2.08 H new ATOM 0 HD21 LEU A 38 -1.391 19.943 4.107 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -0.966 18.215 4.057 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -1.980 18.920 2.775 1.00 1.61 H new ATOM 847 N ALA A 39 -2.983 13.720 4.214 1.00 0.52 N ATOM 848 CA ALA A 39 -3.621 12.458 4.521 1.00 0.53 C ATOM 849 C ALA A 39 -2.673 11.524 5.265 1.00 0.60 C ATOM 850 O ALA A 39 -1.711 11.016 4.693 1.00 1.03 O ATOM 851 CB ALA A 39 -4.124 11.803 3.245 1.00 0.55 C ATOM 0 H ALA A 39 -2.328 13.682 3.433 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.470 12.657 5.175 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.602 10.854 3.487 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.846 12.460 2.759 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.285 11.625 2.572 1.00 0.55 H new ATOM 857 N GLY A 40 -2.939 11.328 6.550 1.00 0.43 N ATOM 858 CA GLY A 40 -2.219 10.327 7.312 1.00 0.46 C ATOM 859 C GLY A 40 -2.633 8.937 6.881 1.00 0.46 C ATOM 860 O GLY A 40 -3.824 8.663 6.737 1.00 0.84 O ATOM 0 H GLY A 40 -3.642 11.845 7.079 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.146 10.454 7.169 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.417 10.459 8.376 1.00 0.46 H new ATOM 864 N VAL A 41 -1.668 8.060 6.677 1.00 0.44 N ATOM 865 CA VAL A 41 -1.953 6.765 6.073 1.00 0.45 C ATOM 866 C VAL A 41 -1.694 5.620 7.042 1.00 0.36 C ATOM 867 O VAL A 41 -0.617 5.519 7.631 1.00 0.41 O ATOM 868 CB VAL A 41 -1.127 6.547 4.790 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.519 5.243 4.112 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.299 7.717 3.837 1.00 1.30 C ATOM 0 H VAL A 41 -0.689 8.215 6.917 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.012 6.771 5.816 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.075 6.484 5.069 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -0.924 5.109 3.209 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.338 4.411 4.792 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.576 5.273 3.849 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.708 7.544 2.938 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.350 7.815 3.567 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -0.962 8.633 4.322 1.00 1.30 H new ATOM 880 N THR A 42 -2.698 4.773 7.211 1.00 0.31 N ATOM 881 CA THR A 42 -2.575 3.589 8.040 1.00 0.30 C ATOM 882 C THR A 42 -2.732 2.322 7.201 1.00 0.29 C ATOM 883 O THR A 42 -3.771 2.107 6.575 1.00 0.32 O ATOM 884 CB THR A 42 -3.633 3.588 9.160 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.537 4.794 9.925 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.459 2.383 10.075 1.00 0.45 C ATOM 0 H THR A 42 -3.615 4.888 6.779 1.00 0.31 H new ATOM 0 HA THR A 42 -1.581 3.605 8.488 1.00 0.30 H new ATOM 0 HB THR A 42 -4.618 3.529 8.697 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.214 4.786 10.634 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.218 2.407 10.857 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.565 1.467 9.494 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.469 2.412 10.530 1.00 0.45 H new ATOM 894 N LYS A 43 -1.690 1.500 7.182 1.00 0.31 N ATOM 895 CA LYS A 43 -1.726 0.222 6.482 1.00 0.35 C ATOM 896 C LYS A 43 -2.164 -0.877 7.442 1.00 0.33 C ATOM 897 O LYS A 43 -1.841 -0.822 8.629 1.00 0.41 O ATOM 898 CB LYS A 43 -0.341 -0.109 5.911 1.00 0.50 C ATOM 899 CG LYS A 43 0.187 0.923 4.925 1.00 0.77 C ATOM 900 CD LYS A 43 -0.607 0.920 3.630 1.00 0.53 C ATOM 901 CE LYS A 43 -0.131 2.008 2.685 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.855 1.987 1.384 1.00 0.79 N ATOM 0 H LYS A 43 -0.804 1.698 7.647 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.439 0.289 5.660 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.367 -0.204 6.735 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.386 -1.079 5.416 1.00 0.50 H new ATOM 0 HG2 LYS A 43 0.143 1.914 5.377 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.236 0.717 4.710 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -0.512 -0.052 3.146 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.665 1.064 3.850 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.267 2.981 3.158 1.00 0.59 H new ATOM 0 HE3 LYS A 43 0.937 1.887 2.505 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.701 2.887 0.886 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -0.498 1.203 0.801 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -1.872 1.856 1.555 1.00 0.79 H new ATOM 916 N LYS A 44 -2.916 -1.849 6.946 1.00 0.31 N ATOM 917 CA LYS A 44 -3.370 -2.963 7.774 1.00 0.35 C ATOM 918 C LYS A 44 -3.305 -4.275 7.000 1.00 0.34 C ATOM 919 O LYS A 44 -4.170 -4.557 6.172 1.00 0.47 O ATOM 920 CB LYS A 44 -4.806 -2.725 8.257 1.00 0.44 C ATOM 921 CG LYS A 44 -4.958 -1.501 9.142 1.00 0.90 C ATOM 922 CD LYS A 44 -6.388 -1.320 9.616 1.00 0.88 C ATOM 923 CE LYS A 44 -6.522 -0.103 10.517 1.00 1.39 C ATOM 924 NZ LYS A 44 -5.722 -0.240 11.763 1.00 1.96 N ATOM 0 H LYS A 44 -3.226 -1.891 5.975 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.708 -3.028 8.637 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.458 -2.619 7.390 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.145 -3.603 8.806 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.298 -1.593 10.005 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.643 -0.614 8.592 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -7.048 -1.212 8.755 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.710 -2.211 10.155 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.199 0.786 9.975 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -7.571 0.044 10.774 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -5.933 0.554 12.400 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -5.963 -1.135 12.234 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -4.709 -0.235 11.528 1.00 1.96 H new ATOM 938 N PHE A 45 -2.278 -5.067 7.273 1.00 0.29 N ATOM 939 CA PHE A 45 -2.131 -6.374 6.647 1.00 0.29 C ATOM 940 C PHE A 45 -2.466 -7.464 7.647 1.00 0.30 C ATOM 941 O PHE A 45 -1.960 -7.461 8.771 1.00 0.37 O ATOM 942 CB PHE A 45 -0.711 -6.589 6.129 1.00 0.32 C ATOM 943 CG PHE A 45 -0.345 -5.739 4.950 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.209 -4.482 5.129 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.541 -6.206 3.657 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.558 -3.706 4.042 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.195 -5.432 2.570 1.00 0.52 C ATOM 948 CZ PHE A 45 0.355 -4.181 2.762 1.00 0.54 C ATOM 0 H PHE A 45 -1.532 -4.827 7.926 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.817 -6.417 5.801 1.00 0.29 H new ATOM 0 HB2 PHE A 45 -0.008 -6.388 6.938 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.592 -7.638 5.856 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.369 -4.106 6.128 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.969 -7.185 3.501 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.990 -2.728 4.193 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.354 -5.804 1.569 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.626 -3.574 1.911 1.00 0.54 H new ATOM 958 N ARG A 46 -3.321 -8.387 7.250 1.00 0.31 N ATOM 959 CA ARG A 46 -3.719 -9.475 8.124 1.00 0.33 C ATOM 960 C ARG A 46 -4.284 -10.634 7.324 1.00 0.31 C ATOM 961 O ARG A 46 -4.461 -10.537 6.112 1.00 0.33 O ATOM 962 CB ARG A 46 -4.764 -8.985 9.129 1.00 0.39 C ATOM 963 CG ARG A 46 -6.011 -8.415 8.473 1.00 0.50 C ATOM 964 CD ARG A 46 -6.998 -7.905 9.503 1.00 0.64 C ATOM 965 NE ARG A 46 -8.196 -7.348 8.881 1.00 1.51 N ATOM 966 CZ ARG A 46 -9.232 -6.866 9.560 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.211 -6.838 10.886 1.00 1.85 N ATOM 968 NH2 ARG A 46 -10.288 -6.409 8.906 1.00 3.17 N ATOM 0 H ARG A 46 -3.754 -8.406 6.327 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.835 -9.822 8.659 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.050 -9.813 9.778 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.316 -8.222 9.765 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.731 -7.602 7.802 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.485 -9.183 7.862 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -7.281 -8.720 10.169 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -6.520 -7.142 10.117 1.00 0.64 H new ATOM 0 HE ARG A 46 -8.241 -7.328 7.862 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -8.396 -7.188 11.391 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -10.009 -6.467 11.401 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -10.304 -6.428 7.886 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -11.086 -6.038 9.422 1.00 3.17 H new ATOM 982 N ASN A 47 -4.538 -11.728 8.015 1.00 0.33 N ATOM 983 CA ASN A 47 -5.229 -12.867 7.428 1.00 0.37 C ATOM 984 C ASN A 47 -6.650 -12.453 7.085 1.00 0.39 C ATOM 985 O ASN A 47 -7.176 -11.522 7.698 1.00 0.54 O ATOM 986 CB ASN A 47 -5.232 -14.045 8.401 1.00 0.50 C ATOM 987 CG ASN A 47 -3.853 -14.637 8.596 1.00 0.92 C ATOM 988 OD1 ASN A 47 -3.433 -15.521 7.848 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.141 -14.165 9.609 1.00 1.44 N ATOM 0 H ASN A 47 -4.275 -11.856 8.992 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.714 -13.183 6.521 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.622 -13.716 9.364 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -5.907 -14.817 8.030 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.208 -14.534 9.793 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.526 -13.432 10.205 1.00 1.44 H new ATOM 996 N ALA A 48 -7.269 -13.111 6.105 1.00 0.36 N ATOM 997 CA ALA A 48 -8.603 -12.726 5.651 1.00 0.41 C ATOM 998 C ALA A 48 -9.572 -12.623 6.814 1.00 0.64 C ATOM 999 O ALA A 48 -9.671 -13.531 7.645 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.117 -13.717 4.620 1.00 0.49 C ATOM 0 H ALA A 48 -6.869 -13.910 5.613 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.529 -11.742 5.188 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.112 -13.417 4.291 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.442 -13.735 3.764 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.166 -14.711 5.064 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.291 -11.510 6.845 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.153 -11.172 7.961 1.00 1.18 C ATOM 1008 C ALA A 49 -12.310 -12.148 8.074 1.00 1.17 C ATOM 1009 O ALA A 49 -12.824 -12.390 9.167 1.00 1.46 O ATOM 1010 CB ALA A 49 -11.667 -9.755 7.804 1.00 1.48 C ATOM 0 H ALA A 49 -10.291 -10.818 6.096 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.570 -11.240 8.880 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -12.314 -9.507 8.646 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -10.825 -9.063 7.778 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.232 -9.674 6.876 1.00 1.48 H new ATOM 1016 N SER A 50 -12.723 -12.688 6.935 1.00 1.12 N ATOM 1017 CA SER A 50 -13.749 -13.718 6.869 1.00 1.50 C ATOM 1018 C SER A 50 -13.329 -15.020 7.557 1.00 1.66 C ATOM 1019 O SER A 50 -14.124 -15.957 7.662 1.00 2.19 O ATOM 1020 CB SER A 50 -14.049 -13.996 5.400 1.00 1.77 C ATOM 1021 OG SER A 50 -12.848 -14.288 4.698 1.00 2.37 O ATOM 0 H SER A 50 -12.352 -12.420 6.024 1.00 1.12 H new ATOM 0 HA SER A 50 -14.630 -13.352 7.397 1.00 1.50 H new ATOM 0 HB2 SER A 50 -14.741 -14.834 5.315 1.00 1.77 H new ATOM 0 HB3 SER A 50 -14.539 -13.132 4.952 1.00 1.77 H new ATOM 0 HG SER A 50 -12.622 -13.537 4.110 1.00 2.37 H new ATOM 1027 N GLY A 51 -12.090 -15.076 8.031 1.00 1.42 N ATOM 1028 CA GLY A 51 -11.584 -16.291 8.637 1.00 1.68 C ATOM 1029 C GLY A 51 -11.245 -17.352 7.609 1.00 1.70 C ATOM 1030 O GLY A 51 -11.134 -18.533 7.940 1.00 1.91 O ATOM 0 H GLY A 51 -11.427 -14.301 8.006 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -10.694 -16.059 9.222 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -12.327 -16.685 9.330 1.00 1.68 H new ATOM 1034 N LYS A 52 -11.074 -16.932 6.363 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.741 -17.855 5.288 1.00 1.60 C ATOM 1036 C LYS A 52 -9.229 -17.994 5.150 1.00 1.44 C ATOM 1037 O LYS A 52 -8.502 -17.002 5.181 1.00 1.37 O ATOM 1038 CB LYS A 52 -11.350 -17.391 3.962 1.00 1.62 C ATOM 1039 CG LYS A 52 -12.861 -17.547 3.897 1.00 1.92 C ATOM 1040 CD LYS A 52 -13.392 -17.298 2.492 1.00 1.94 C ATOM 1041 CE LYS A 52 -12.878 -18.340 1.507 1.00 2.59 C ATOM 1042 NZ LYS A 52 -13.446 -18.152 0.146 1.00 3.17 N ATOM 0 H LYS A 52 -11.160 -15.958 6.072 1.00 1.54 H new ATOM 0 HA LYS A 52 -11.161 -18.829 5.539 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -11.094 -16.344 3.801 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -10.899 -17.958 3.147 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -13.137 -18.551 4.218 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -13.329 -16.850 4.592 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -14.482 -17.315 2.506 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -13.093 -16.304 2.160 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -11.791 -18.285 1.456 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -13.130 -19.336 1.870 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -12.770 -18.500 -0.563 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -14.337 -18.683 0.065 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -13.629 -17.141 -0.017 1.00 3.17 H new ATOM 1056 N PRO A 53 -8.743 -19.234 5.009 1.00 1.49 N ATOM 1057 CA PRO A 53 -7.312 -19.521 4.898 1.00 1.40 C ATOM 1058 C PRO A 53 -6.757 -19.170 3.522 1.00 1.15 C ATOM 1059 O PRO A 53 -7.505 -19.149 2.538 1.00 1.15 O ATOM 1060 CB PRO A 53 -7.243 -21.029 5.134 1.00 1.68 C ATOM 1061 CG PRO A 53 -8.550 -21.539 4.638 1.00 1.84 C ATOM 1062 CD PRO A 53 -9.557 -20.464 4.942 1.00 1.76 C ATOM 0 HA PRO A 53 -6.718 -18.935 5.600 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -6.410 -21.478 4.594 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -7.100 -21.260 6.190 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -8.508 -21.743 3.568 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -8.816 -22.474 5.131 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -10.320 -20.398 4.166 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -10.075 -20.654 5.882 1.00 1.76 H new ATOM 1070 N ASP A 54 -5.460 -18.846 3.487 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.721 -18.558 2.251 1.00 0.90 C ATOM 1072 C ASP A 54 -4.935 -17.106 1.863 1.00 0.68 C ATOM 1073 O ASP A 54 -3.987 -16.359 1.632 1.00 0.97 O ATOM 1074 CB ASP A 54 -5.135 -19.496 1.106 1.00 1.06 C ATOM 1075 CG ASP A 54 -4.279 -19.327 -0.131 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -4.794 -18.852 -1.166 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -3.090 -19.693 -0.076 1.00 1.60 O ATOM 0 H ASP A 54 -4.886 -18.775 4.327 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.661 -18.732 2.435 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -5.071 -20.529 1.448 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -6.178 -19.309 0.849 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.196 -16.731 1.780 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.591 -15.343 1.581 1.00 0.47 C ATOM 1084 C ARG A 55 -6.131 -14.450 2.728 1.00 0.41 C ATOM 1085 O ARG A 55 -6.028 -14.886 3.881 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.105 -15.247 1.462 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.670 -15.945 0.244 1.00 1.24 C ATOM 1088 CD ARG A 55 -10.180 -15.854 0.226 1.00 1.87 C ATOM 1089 NE ARG A 55 -10.743 -16.206 -1.071 1.00 2.57 N ATOM 1090 CZ ARG A 55 -11.889 -15.714 -1.532 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -12.632 -14.927 -0.767 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -12.304 -16.028 -2.752 1.00 4.10 N ATOM 0 H ARG A 55 -6.981 -17.379 1.848 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.113 -14.999 0.664 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.558 -15.675 2.356 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.391 -14.196 1.432 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -8.263 -15.494 -0.661 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -8.364 -16.991 0.244 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -10.590 -16.516 0.989 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -10.483 -14.840 0.487 1.00 1.87 H new ATOM 0 HE ARG A 55 -10.230 -16.865 -1.657 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -12.325 -14.697 0.178 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -13.511 -14.551 -1.124 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -11.744 -16.647 -3.338 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -13.183 -15.650 -3.105 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.857 -13.197 2.404 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.515 -12.200 3.399 1.00 0.32 C ATOM 1108 C TYR A 56 -6.439 -10.988 3.269 1.00 0.33 C ATOM 1109 O TYR A 56 -7.259 -10.918 2.351 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.048 -11.784 3.248 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.068 -12.850 3.696 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.568 -13.795 2.806 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.645 -12.915 5.017 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.683 -14.765 3.220 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.759 -13.883 5.438 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.283 -14.804 4.536 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.399 -15.768 4.949 1.00 0.97 O ATOM 0 H TYR A 56 -5.866 -12.845 1.447 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.649 -12.629 4.392 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.854 -11.539 2.204 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.875 -10.876 3.826 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.879 -13.767 1.772 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.018 -12.193 5.728 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.305 -15.491 2.516 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.441 -13.918 6.470 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.218 -15.657 5.906 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.311 -10.051 4.193 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.146 -8.853 4.211 1.00 0.34 C ATOM 1129 C ASP A 57 -6.264 -7.622 4.397 1.00 0.29 C ATOM 1130 O ASP A 57 -5.339 -7.636 5.208 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.188 -8.961 5.333 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.131 -7.776 5.404 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.945 -6.905 6.278 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.047 -7.688 4.561 1.00 0.99 O ATOM 0 H ASP A 57 -5.630 -10.095 4.951 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.677 -8.758 3.264 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.771 -9.870 5.189 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.672 -9.061 6.288 1.00 0.43 H new ATOM 1139 N MET A 58 -6.529 -6.572 3.624 1.00 0.27 N ATOM 1140 CA MET A 58 -5.672 -5.384 3.621 1.00 0.26 C ATOM 1141 C MET A 58 -6.500 -4.105 3.577 1.00 0.27 C ATOM 1142 O MET A 58 -7.414 -3.979 2.764 1.00 0.33 O ATOM 1143 CB MET A 58 -4.714 -5.442 2.421 1.00 0.30 C ATOM 1144 CG MET A 58 -4.021 -4.128 2.099 1.00 0.51 C ATOM 1145 SD MET A 58 -3.064 -3.481 3.474 1.00 0.98 S ATOM 1146 CE MET A 58 -2.479 -1.962 2.746 1.00 0.36 C ATOM 0 H MET A 58 -7.328 -6.517 2.992 1.00 0.27 H new ATOM 0 HA MET A 58 -5.094 -5.373 4.545 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.955 -6.200 2.615 1.00 0.30 H new ATOM 0 HB3 MET A 58 -5.272 -5.768 1.543 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.363 -4.272 1.242 1.00 0.51 H new ATOM 0 HG3 MET A 58 -4.769 -3.391 1.807 1.00 0.51 H new ATOM 0 HE1 MET A 58 -1.431 -2.072 2.468 1.00 0.36 H new ATOM 0 HE2 MET A 58 -3.068 -1.734 1.858 1.00 0.36 H new ATOM 0 HE3 MET A 58 -2.580 -1.150 3.467 1.00 0.36 H new ATOM 1156 N GLU A 59 -6.176 -3.154 4.442 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.911 -1.897 4.503 1.00 0.32 C ATOM 1158 C GLU A 59 -5.971 -0.695 4.489 1.00 0.31 C ATOM 1159 O GLU A 59 -4.860 -0.750 5.022 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.811 -1.866 5.750 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.607 -0.576 5.908 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.582 -0.615 7.068 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.128 -0.562 8.230 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.802 -0.692 6.831 1.00 1.11 O ATOM 0 H GLU A 59 -5.410 -3.228 5.111 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.538 -1.833 3.613 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.505 -2.706 5.706 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -7.192 -2.010 6.636 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -7.916 0.255 6.050 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -9.156 -0.380 4.987 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.425 0.385 3.855 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.684 1.641 3.815 1.00 0.42 C ATOM 1173 C ASN A 60 -6.580 2.767 4.300 1.00 0.46 C ATOM 1174 O ASN A 60 -7.501 3.184 3.590 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.204 1.985 2.400 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.393 0.889 1.744 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.183 0.825 1.906 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -5.054 0.042 0.970 1.00 1.02 N ATOM 0 H ASN A 60 -7.314 0.412 3.356 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.810 1.524 4.456 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.071 2.205 1.776 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.603 2.893 2.442 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -4.553 -0.700 0.481 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -6.064 0.131 0.863 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.329 3.242 5.505 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.096 4.347 6.058 1.00 0.39 C ATOM 1187 C LEU A 61 -6.316 5.643 5.939 1.00 0.39 C ATOM 1188 O LEU A 61 -5.114 5.680 6.204 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.450 4.087 7.521 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.423 2.933 7.764 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.636 2.733 9.255 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.754 3.197 7.068 1.00 1.66 C ATOM 0 H LEU A 61 -5.601 2.882 6.121 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.021 4.434 5.488 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.530 3.886 8.070 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -7.879 4.997 7.941 1.00 0.42 H new ATOM 0 HG LEU A 61 -7.993 2.023 7.346 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.331 1.909 9.416 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.683 2.503 9.731 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.047 3.644 9.689 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -10.433 2.364 7.253 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -10.192 4.116 7.458 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.590 3.300 5.995 1.00 1.66 H new ATOM 1204 N THR A 62 -7.000 6.698 5.527 1.00 0.34 N ATOM 1205 CA THR A 62 -6.389 8.003 5.393 1.00 0.35 C ATOM 1206 C THR A 62 -7.347 9.053 5.934 1.00 0.37 C ATOM 1207 O THR A 62 -8.390 8.709 6.489 1.00 0.43 O ATOM 1208 CB THR A 62 -6.039 8.330 3.926 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.230 8.456 3.149 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.163 7.249 3.314 1.00 0.45 C ATOM 0 H THR A 62 -7.989 6.671 5.278 1.00 0.34 H new ATOM 0 HA THR A 62 -5.458 8.002 5.960 1.00 0.35 H new ATOM 0 HB THR A 62 -5.492 9.273 3.922 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.079 9.092 2.419 1.00 0.34 H new ATOM 0 HG21 THR A 62 -4.934 7.508 2.280 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.236 7.167 3.882 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.690 6.295 3.340 1.00 0.45 H new ATOM 1218 N THR A 63 -7.014 10.321 5.770 1.00 0.42 N ATOM 1219 CA THR A 63 -7.861 11.385 6.275 1.00 0.46 C ATOM 1220 C THR A 63 -8.834 11.868 5.205 1.00 0.46 C ATOM 1221 O THR A 63 -9.725 12.672 5.474 1.00 0.54 O ATOM 1222 CB THR A 63 -7.012 12.567 6.776 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.311 13.175 5.681 1.00 0.52 O ATOM 1224 CG2 THR A 63 -6.006 12.086 7.807 1.00 0.50 C ATOM 0 H THR A 63 -6.169 10.637 5.294 1.00 0.42 H new ATOM 0 HA THR A 63 -8.434 10.980 7.109 1.00 0.46 H new ATOM 0 HB THR A 63 -7.677 13.301 7.231 1.00 0.50 H new ATOM 0 HG1 THR A 63 -5.653 13.814 6.028 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.410 12.930 8.155 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.534 11.642 8.651 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.351 11.341 7.356 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.652 11.383 3.982 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.482 11.816 2.863 1.00 0.50 C ATOM 1234 C LYS A 64 -10.153 10.640 2.162 1.00 0.49 C ATOM 1235 O LYS A 64 -11.049 10.827 1.340 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.631 12.596 1.859 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.017 13.862 2.433 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.083 14.885 2.795 1.00 0.88 C ATOM 1239 CE LYS A 64 -8.476 16.135 3.409 1.00 1.64 C ATOM 1240 NZ LYS A 64 -7.767 15.839 4.683 1.00 2.24 N ATOM 0 H LYS A 64 -7.941 10.693 3.740 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.268 12.456 3.263 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -7.833 11.950 1.493 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.248 12.859 1.000 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.433 13.615 3.319 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.328 14.294 1.708 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.647 15.155 1.902 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -9.790 14.441 3.496 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -7.779 16.585 2.702 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -9.262 16.868 3.593 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -7.575 16.728 5.188 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -8.361 15.225 5.276 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -6.869 15.357 4.477 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.714 9.428 2.470 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.239 8.240 1.809 1.00 0.49 C ATOM 1256 C LYS A 65 -10.406 7.088 2.790 1.00 0.52 C ATOM 1257 O LYS A 65 -10.483 7.295 4.003 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.314 7.839 0.649 1.00 0.73 C ATOM 1259 CG LYS A 65 -9.400 8.767 -0.554 1.00 1.18 C ATOM 1260 CD LYS A 65 -10.409 8.278 -1.591 1.00 1.22 C ATOM 1261 CE LYS A 65 -11.842 8.269 -1.076 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.337 9.629 -0.729 1.00 1.82 N ATOM 0 H LYS A 65 -8.998 9.241 3.171 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.226 8.475 1.411 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.285 7.819 1.008 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.561 6.826 0.333 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -9.680 9.766 -0.220 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -8.417 8.850 -1.017 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -10.351 8.915 -2.474 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -10.137 7.271 -1.907 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -12.493 7.832 -1.833 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -11.903 7.629 -0.196 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -13.327 9.569 -0.416 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -11.756 10.025 0.037 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -12.275 10.245 -1.565 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.392 5.882 2.242 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.702 4.651 2.979 1.00 0.39 C ATOM 1278 C ASP A 66 -10.881 3.502 2.001 1.00 0.43 C ATOM 1279 O ASP A 66 -11.786 3.506 1.169 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.952 4.781 3.870 1.00 0.57 C ATOM 1281 CG ASP A 66 -13.233 5.081 3.105 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -13.980 4.130 2.787 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -13.512 6.269 2.840 1.00 2.12 O ATOM 0 H ASP A 66 -10.163 5.721 1.261 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.861 4.456 3.644 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -12.084 3.855 4.429 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -11.784 5.573 4.600 1.00 0.57 H new ATOM 1288 N THR A 67 -9.994 2.534 2.075 1.00 0.35 N ATOM 1289 CA THR A 67 -10.032 1.402 1.163 1.00 0.32 C ATOM 1290 C THR A 67 -9.824 0.112 1.938 1.00 0.26 C ATOM 1291 O THR A 67 -9.042 0.085 2.888 1.00 0.30 O ATOM 1292 CB THR A 67 -8.941 1.522 0.077 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.646 1.432 0.677 1.00 0.38 O ATOM 1294 CG2 THR A 67 -9.059 2.845 -0.662 1.00 0.56 C ATOM 0 H THR A 67 -9.235 2.504 2.756 1.00 0.35 H new ATOM 0 HA THR A 67 -11.007 1.394 0.676 1.00 0.32 H new ATOM 0 HB THR A 67 -9.076 0.707 -0.634 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.958 1.587 -0.004 1.00 0.38 H new ATOM 0 HG21 THR A 67 -8.280 2.908 -1.422 1.00 0.56 H new ATOM 0 HG22 THR A 67 -10.037 2.910 -1.138 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.944 3.668 0.044 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.499 -0.955 1.540 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.399 -2.209 2.264 1.00 0.23 C ATOM 1304 C HIS A 68 -10.516 -3.399 1.316 1.00 0.22 C ATOM 1305 O HIS A 68 -11.611 -3.802 0.926 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.474 -2.289 3.351 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.173 -3.312 4.401 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -11.166 -3.030 5.745 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -10.859 -4.620 4.298 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -10.863 -4.118 6.421 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -10.669 -5.102 5.565 1.00 1.95 N ATOM 0 H HIS A 68 -11.116 -0.977 0.728 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.418 -2.246 2.738 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.578 -1.312 3.823 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.433 -2.523 2.889 1.00 0.32 H new ATOM 0 HD1 HIS A 68 -11.365 -2.118 6.156 1.00 1.05 H new ATOM 0 HD2 HIS A 68 -10.773 -5.185 3.381 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -10.786 -4.192 7.496 1.00 1.69 H new ATOM 1320 N HIS A 69 -9.377 -3.974 0.977 1.00 0.23 N ATOM 1321 CA HIS A 69 -9.331 -5.116 0.078 1.00 0.26 C ATOM 1322 C HIS A 69 -9.676 -6.384 0.847 1.00 0.29 C ATOM 1323 O HIS A 69 -8.794 -7.028 1.416 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.938 -5.276 -0.539 1.00 0.32 C ATOM 1325 CG HIS A 69 -7.328 -4.014 -1.070 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.977 -3.143 -1.912 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -6.096 -3.500 -0.886 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -7.163 -2.156 -2.233 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -6.009 -2.346 -1.623 1.00 0.39 N ATOM 0 H HIS A 69 -8.464 -3.667 1.313 1.00 0.23 H new ATOM 0 HA HIS A 69 -10.053 -4.948 -0.721 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -7.270 -5.695 0.214 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.998 -6.001 -1.350 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.938 -3.244 -2.238 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -5.316 -3.921 -0.269 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.402 -1.330 -2.886 1.00 0.37 H new ATOM 1338 N LYS A 70 -10.958 -6.707 0.909 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.408 -7.907 1.599 1.00 0.37 C ATOM 1340 C LYS A 70 -11.148 -9.170 0.781 1.00 0.31 C ATOM 1341 O LYS A 70 -11.580 -9.278 -0.371 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.899 -7.804 1.906 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.365 -6.383 2.152 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.471 -6.317 3.183 1.00 1.00 C ATOM 1345 CE LYS A 70 -13.920 -6.377 4.599 1.00 1.43 C ATOM 1346 NZ LYS A 70 -13.421 -7.729 4.977 1.00 2.30 N ATOM 0 H LYS A 70 -11.706 -6.155 0.490 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.838 -7.981 2.525 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.464 -8.225 1.074 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -13.125 -8.410 2.784 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -12.522 -5.778 2.486 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.717 -5.950 1.216 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.038 -5.395 3.051 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.165 -7.143 3.027 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.108 -5.656 4.697 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.700 -6.076 5.299 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -13.458 -7.836 6.011 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -14.017 -8.456 4.532 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -12.439 -7.840 4.653 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.422 -10.106 1.390 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.241 -11.454 0.837 1.00 0.37 C ATOM 1362 C ASP A 71 -9.441 -11.442 -0.460 1.00 0.33 C ATOM 1363 O ASP A 71 -9.957 -11.804 -1.519 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.595 -12.134 0.594 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.113 -12.895 1.794 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -12.040 -14.140 1.784 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -12.613 -12.262 2.743 1.00 2.07 O ATOM 0 H ASP A 71 -9.943 -9.956 2.278 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.678 -12.020 1.579 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.327 -11.377 0.310 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.502 -12.819 -0.248 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.183 -11.044 -0.381 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.307 -11.064 -1.543 1.00 0.30 C ATOM 1374 C TRP A 72 -6.253 -12.147 -1.383 1.00 0.31 C ATOM 1375 O TRP A 72 -5.833 -12.452 -0.265 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.632 -9.704 -1.748 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.833 -9.240 -0.567 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.290 -8.510 0.486 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.437 -9.466 -0.319 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.273 -8.273 1.373 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.127 -8.846 0.901 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.418 -10.130 -1.004 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.848 -8.874 1.444 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.151 -10.145 -0.447 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.882 -9.523 0.757 1.00 0.43 C ATOM 0 H TRP A 72 -7.744 -10.703 0.474 1.00 0.29 H new ATOM 0 HA TRP A 72 -7.915 -11.280 -2.422 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -5.977 -9.761 -2.618 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.396 -8.960 -1.973 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.307 -8.167 0.605 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.358 -7.752 2.246 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.614 -10.620 -1.946 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.633 -8.392 2.386 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.353 -10.655 -0.966 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.879 -9.556 1.157 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.846 -12.748 -2.489 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.819 -13.770 -2.456 1.00 0.50 C ATOM 1398 C ALA A 73 -3.605 -13.342 -3.269 1.00 0.48 C ATOM 1399 O ALA A 73 -3.732 -12.596 -4.238 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.395 -15.063 -3.002 1.00 0.55 C ATOM 0 H ALA A 73 -6.212 -12.544 -3.419 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.492 -13.920 -1.427 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.630 -15.839 -2.982 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.242 -15.372 -2.389 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.728 -14.908 -4.028 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.419 -13.769 -2.843 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.208 -13.558 -3.628 1.00 0.67 C ATOM 1408 C LEU A 74 -1.357 -14.126 -5.035 1.00 0.57 C ATOM 1409 O LEU A 74 -1.719 -15.287 -5.216 1.00 0.56 O ATOM 1410 CB LEU A 74 0.017 -14.183 -2.949 1.00 0.95 C ATOM 1411 CG LEU A 74 0.693 -13.339 -1.864 1.00 0.68 C ATOM 1412 CD1 LEU A 74 0.936 -11.930 -2.366 1.00 1.28 C ATOM 1413 CD2 LEU A 74 -0.121 -13.324 -0.578 1.00 1.71 C ATOM 0 H LEU A 74 -2.272 -14.261 -1.962 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.057 -12.481 -3.696 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -0.284 -15.133 -2.507 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.756 -14.409 -3.717 1.00 0.95 H new ATOM 0 HG LEU A 74 1.655 -13.797 -1.634 1.00 0.68 H new ATOM 0 HD11 LEU A 74 1.417 -11.343 -1.584 1.00 1.28 H new ATOM 0 HD12 LEU A 74 1.582 -11.963 -3.244 1.00 1.28 H new ATOM 0 HD13 LEU A 74 -0.015 -11.470 -2.632 1.00 1.28 H new ATOM 0 HD21 LEU A 74 0.389 -12.716 0.169 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -1.107 -12.904 -0.776 1.00 1.71 H new ATOM 0 HD23 LEU A 74 -0.229 -14.342 -0.204 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.061 -13.292 -6.018 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.182 -13.688 -7.402 1.00 0.56 C ATOM 1427 C GLY A 75 -2.596 -13.534 -7.922 1.00 0.51 C ATOM 1428 O GLY A 75 -2.926 -14.044 -8.993 1.00 0.59 O ATOM 0 H GLY A 75 -0.735 -12.336 -5.878 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.506 -13.087 -8.010 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -0.869 -14.727 -7.509 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.430 -12.830 -7.166 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.819 -12.639 -7.545 1.00 0.40 C ATOM 1434 C GLU A 76 -5.063 -11.219 -8.049 1.00 0.36 C ATOM 1435 O GLU A 76 -4.384 -10.271 -7.647 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.745 -12.962 -6.371 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.220 -12.832 -6.705 1.00 0.92 C ATOM 1438 CD GLU A 76 -8.117 -13.381 -5.625 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -8.304 -12.704 -4.596 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.654 -14.496 -5.807 1.00 1.59 O ATOM 0 H GLU A 76 -3.166 -12.383 -6.288 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.042 -13.326 -8.361 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.546 -13.979 -6.032 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.509 -12.297 -5.540 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.459 -11.781 -6.869 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.423 -13.355 -7.640 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.041 -11.096 -8.930 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.394 -9.832 -9.542 1.00 0.43 C ATOM 1449 C GLU A 77 -7.888 -9.581 -9.356 1.00 0.44 C ATOM 1450 O GLU A 77 -8.720 -10.338 -9.856 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.037 -9.873 -11.027 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.411 -8.621 -11.797 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.075 -8.744 -13.264 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.007 -8.246 -13.674 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -6.880 -9.331 -14.016 1.00 0.90 O ATOM 0 H GLU A 77 -6.616 -11.879 -9.242 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.840 -9.020 -9.070 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -4.964 -10.038 -11.126 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.535 -10.728 -11.484 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.478 -8.429 -11.683 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -5.886 -7.764 -11.374 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.219 -8.534 -8.628 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.601 -8.243 -8.286 1.00 0.41 C ATOM 1464 C PHE A 78 -9.883 -6.759 -8.459 1.00 0.42 C ATOM 1465 O PHE A 78 -8.962 -5.949 -8.473 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.886 -8.674 -6.842 1.00 0.44 C ATOM 1467 CG PHE A 78 -9.002 -8.014 -5.821 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.747 -8.528 -5.535 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.425 -6.879 -5.148 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.932 -7.921 -4.599 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.616 -6.268 -4.212 1.00 0.57 C ATOM 1472 CZ PHE A 78 -7.368 -6.790 -3.937 1.00 0.52 C ATOM 0 H PHE A 78 -7.545 -7.864 -8.258 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.256 -8.802 -8.955 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.926 -8.450 -6.606 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.767 -9.755 -6.766 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.402 -9.413 -6.050 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.401 -6.467 -5.359 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.956 -8.330 -4.385 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.958 -5.383 -3.696 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.733 -6.314 -3.204 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.148 -6.404 -8.597 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.531 -5.009 -8.710 1.00 0.51 C ATOM 1484 C GLN A 79 -11.933 -4.491 -7.341 1.00 0.50 C ATOM 1485 O GLN A 79 -12.649 -5.172 -6.605 1.00 0.54 O ATOM 1486 CB GLN A 79 -12.686 -4.843 -9.698 1.00 0.62 C ATOM 1487 CG GLN A 79 -12.987 -3.392 -10.041 1.00 1.00 C ATOM 1488 CD GLN A 79 -14.182 -3.248 -10.957 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -14.052 -3.281 -12.180 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -15.353 -3.073 -10.373 1.00 1.94 N ATOM 0 H GLN A 79 -11.926 -7.062 -8.633 1.00 0.46 H new ATOM 0 HA GLN A 79 -10.683 -4.435 -9.084 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -12.450 -5.383 -10.615 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.581 -5.302 -9.279 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.169 -2.835 -9.122 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.113 -2.946 -10.516 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -15.417 -3.052 -9.355 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -16.193 -2.959 -10.940 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.478 -3.297 -6.994 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.723 -2.762 -5.658 1.00 0.49 C ATOM 1501 C ASP A 80 -11.561 -1.249 -5.656 1.00 0.52 C ATOM 1502 O ASP A 80 -11.005 -0.683 -6.602 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.750 -3.394 -4.657 1.00 0.63 C ATOM 1504 CG ASP A 80 -11.185 -3.203 -3.219 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -12.278 -3.675 -2.853 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -10.425 -2.592 -2.444 1.00 1.26 O ATOM 0 H ASP A 80 -10.943 -2.684 -7.609 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.745 -3.004 -5.365 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.661 -4.460 -4.867 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.760 -2.958 -4.794 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.028 -0.599 -4.592 1.00 0.53 N ATOM 1512 CA GLU A 81 -11.948 0.851 -4.494 1.00 0.65 C ATOM 1513 C GLU A 81 -10.636 1.242 -3.853 1.00 0.63 C ATOM 1514 O GLU A 81 -10.399 0.973 -2.677 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.106 1.430 -3.681 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.192 2.947 -3.772 1.00 1.64 C ATOM 1517 CD GLU A 81 -14.303 3.529 -2.926 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.455 3.565 -3.398 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -14.032 3.943 -1.783 1.00 1.81 O ATOM 0 H GLU A 81 -12.464 -1.054 -3.790 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.011 1.258 -5.503 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.042 0.996 -4.032 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -12.991 1.139 -2.637 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -12.241 3.378 -3.460 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -13.346 3.235 -4.812 1.00 1.64 H new ATOM 1526 N ALA A 82 -9.786 1.840 -4.648 1.00 0.61 N ATOM 1527 CA ALA A 82 -8.462 2.208 -4.206 1.00 0.67 C ATOM 1528 C ALA A 82 -8.382 3.645 -3.708 1.00 0.60 C ATOM 1529 O ALA A 82 -9.369 4.382 -3.760 1.00 0.59 O ATOM 1530 CB ALA A 82 -7.497 1.973 -5.331 1.00 0.95 C ATOM 0 H ALA A 82 -9.989 2.086 -5.617 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.202 1.584 -3.351 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -6.492 2.247 -5.011 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -7.514 0.920 -5.611 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -7.783 2.581 -6.189 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.207 4.034 -3.215 1.00 0.60 N ATOM 1537 CA LEU A 83 -6.996 5.374 -2.672 1.00 0.58 C ATOM 1538 C LEU A 83 -7.358 6.446 -3.692 1.00 0.59 C ATOM 1539 O LEU A 83 -7.797 7.537 -3.331 1.00 0.62 O ATOM 1540 CB LEU A 83 -5.538 5.567 -2.221 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.106 4.806 -0.957 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.068 5.070 0.191 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -4.980 3.312 -1.226 1.00 1.34 C ATOM 0 H LEU A 83 -6.382 3.435 -3.181 1.00 0.60 H new ATOM 0 HA LEU A 83 -7.651 5.476 -1.806 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -4.885 5.267 -3.040 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -5.371 6.631 -2.053 1.00 0.66 H new ATOM 0 HG LEU A 83 -4.122 5.176 -0.668 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -5.741 4.521 1.074 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.085 6.137 0.413 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.069 4.742 -0.090 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -4.673 2.802 -0.313 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -5.942 2.919 -1.555 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.235 3.144 -2.003 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.207 6.119 -4.967 1.00 0.60 N ATOM 1556 CA ASP A 84 -7.467 7.076 -6.039 1.00 0.67 C ATOM 1557 C ASP A 84 -8.965 7.220 -6.315 1.00 0.69 C ATOM 1558 O ASP A 84 -9.369 7.625 -7.408 1.00 0.78 O ATOM 1559 CB ASP A 84 -6.699 6.706 -7.317 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.067 5.349 -7.881 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -6.978 4.350 -7.142 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -7.413 5.271 -9.077 1.00 1.39 O ATOM 0 H ASP A 84 -6.906 5.199 -5.287 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.103 8.047 -5.702 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -6.886 7.467 -8.075 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -5.630 6.723 -7.105 1.00 0.70 H new ATOM 1567 N SER A 85 -9.774 6.862 -5.311 1.00 0.67 N ATOM 1568 CA SER A 85 -11.204 7.183 -5.264 1.00 0.74 C ATOM 1569 C SER A 85 -12.051 6.303 -6.187 1.00 0.77 C ATOM 1570 O SER A 85 -13.248 6.124 -5.949 1.00 1.09 O ATOM 1571 CB SER A 85 -11.420 8.664 -5.583 1.00 0.84 C ATOM 1572 OG SER A 85 -10.596 9.476 -4.760 1.00 1.21 O ATOM 0 H SER A 85 -9.450 6.335 -4.500 1.00 0.67 H new ATOM 0 HA SER A 85 -11.542 6.974 -4.249 1.00 0.74 H new ATOM 0 HB2 SER A 85 -11.194 8.853 -6.633 1.00 0.84 H new ATOM 0 HB3 SER A 85 -12.467 8.926 -5.430 1.00 0.84 H new ATOM 0 HG SER A 85 -10.745 10.420 -4.978 1.00 1.21 H new ATOM 1578 N THR A 86 -11.445 5.752 -7.222 1.00 0.67 N ATOM 1579 CA THR A 86 -12.173 4.913 -8.155 1.00 0.67 C ATOM 1580 C THR A 86 -12.026 3.445 -7.797 1.00 0.66 C ATOM 1581 O THR A 86 -11.202 3.072 -6.956 1.00 0.76 O ATOM 1582 CB THR A 86 -11.693 5.126 -9.600 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.264 5.047 -9.665 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.168 6.466 -10.135 1.00 0.93 C ATOM 0 H THR A 86 -10.455 5.869 -7.437 1.00 0.67 H new ATOM 0 HA THR A 86 -13.222 5.201 -8.085 1.00 0.67 H new ATOM 0 HB THR A 86 -12.119 4.338 -10.221 1.00 0.76 H new ATOM 0 HG1 THR A 86 -9.971 5.183 -10.590 1.00 0.86 H new ATOM 0 HG21 THR A 86 -11.816 6.594 -11.159 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.257 6.499 -10.119 1.00 0.93 H new ATOM 0 HG23 THR A 86 -11.772 7.268 -9.512 1.00 0.93 H new ATOM 1592 N GLN A 87 -12.822 2.608 -8.442 1.00 0.68 N ATOM 1593 CA GLN A 87 -12.745 1.185 -8.237 1.00 0.76 C ATOM 1594 C GLN A 87 -12.270 0.545 -9.513 1.00 0.66 C ATOM 1595 O GLN A 87 -12.913 0.660 -10.555 1.00 0.89 O ATOM 1596 CB GLN A 87 -14.102 0.647 -7.845 1.00 1.02 C ATOM 1597 CG GLN A 87 -14.707 1.431 -6.710 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.077 0.939 -6.323 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.921 1.709 -5.869 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -16.314 -0.346 -6.497 1.00 1.33 N ATOM 0 H GLN A 87 -13.531 2.900 -9.115 1.00 0.68 H new ATOM 0 HA GLN A 87 -12.046 0.957 -7.432 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -14.769 0.680 -8.706 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -14.008 -0.399 -7.555 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -14.048 1.374 -5.844 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -14.770 2.481 -6.994 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -15.587 -0.952 -6.877 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -17.225 -0.734 -6.252 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.142 -0.114 -9.435 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.480 -0.587 -10.628 1.00 0.53 C ATOM 1611 C HIS A 88 -9.764 -1.894 -10.385 1.00 0.49 C ATOM 1612 O HIS A 88 -9.726 -2.393 -9.262 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.497 0.462 -11.142 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.631 1.044 -10.077 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -7.730 0.302 -9.342 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.566 2.302 -9.593 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.157 1.082 -8.450 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.644 2.297 -8.587 1.00 0.97 N ATOM 0 H HIS A 88 -10.663 -0.336 -8.562 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.246 -0.760 -11.384 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -8.864 0.011 -11.906 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.055 1.265 -11.624 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.136 3.152 -9.937 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.414 0.777 -7.728 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.375 3.107 -8.029 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.191 -2.421 -11.449 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.438 -3.655 -11.399 1.00 0.49 C ATOM 1629 C LYS A 89 -7.233 -3.503 -10.475 1.00 0.45 C ATOM 1630 O LYS A 89 -6.502 -2.512 -10.544 1.00 0.50 O ATOM 1631 CB LYS A 89 -7.991 -4.012 -12.813 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.120 -5.252 -12.897 1.00 1.06 C ATOM 1633 CD LYS A 89 -6.689 -5.541 -14.327 1.00 1.08 C ATOM 1634 CE LYS A 89 -7.874 -5.901 -15.208 1.00 1.15 C ATOM 1635 NZ LYS A 89 -7.444 -6.344 -16.560 1.00 1.49 N ATOM 0 H LYS A 89 -9.236 -2.001 -12.377 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.064 -4.455 -11.003 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.874 -4.160 -13.435 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -7.443 -3.168 -13.233 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -6.238 -5.120 -12.271 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -7.667 -6.108 -12.502 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -6.182 -4.668 -14.738 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -5.969 -6.360 -14.332 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -8.452 -6.694 -14.733 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -8.533 -5.038 -15.301 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -8.281 -6.580 -17.130 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -6.914 -5.579 -17.024 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -6.836 -7.183 -16.473 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.064 -4.461 -9.587 1.00 0.38 N ATOM 1650 CA ILE A 90 -5.952 -4.467 -8.657 1.00 0.35 C ATOM 1651 C ILE A 90 -5.374 -5.870 -8.537 1.00 0.34 C ATOM 1652 O ILE A 90 -6.108 -6.844 -8.404 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.392 -3.971 -7.262 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.695 -2.474 -7.307 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.326 -4.279 -6.222 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.249 -1.922 -6.016 1.00 0.54 C ATOM 0 H ILE A 90 -7.693 -5.258 -9.489 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.190 -3.790 -9.043 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.302 -4.498 -6.975 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.781 -1.936 -7.558 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.408 -2.282 -8.108 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.655 -3.922 -5.246 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -5.161 -5.356 -6.177 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.396 -3.781 -6.496 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.438 -0.854 -6.128 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -8.181 -2.432 -5.773 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.528 -2.081 -5.214 1.00 0.54 H new ATOM 1668 N THR A 91 -4.062 -5.969 -8.606 1.00 0.30 N ATOM 1669 CA THR A 91 -3.397 -7.241 -8.433 1.00 0.30 C ATOM 1670 C THR A 91 -2.472 -7.202 -7.223 1.00 0.28 C ATOM 1671 O THR A 91 -1.658 -6.286 -7.079 1.00 0.31 O ATOM 1672 CB THR A 91 -2.586 -7.620 -9.686 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.438 -7.596 -10.837 1.00 0.43 O ATOM 1674 CG2 THR A 91 -1.960 -9.001 -9.544 1.00 0.37 C ATOM 0 H THR A 91 -3.436 -5.183 -8.781 1.00 0.30 H new ATOM 0 HA THR A 91 -4.168 -7.995 -8.274 1.00 0.30 H new ATOM 0 HB THR A 91 -1.783 -6.892 -9.803 1.00 0.33 H new ATOM 0 HG1 THR A 91 -2.919 -7.836 -11.633 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.394 -9.239 -10.445 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.292 -9.011 -8.683 1.00 0.37 H new ATOM 0 HG23 THR A 91 -2.745 -9.744 -9.402 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.621 -8.190 -6.359 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.722 -8.373 -5.234 1.00 0.33 C ATOM 1684 C PHE A 92 -0.818 -9.549 -5.531 1.00 0.39 C ATOM 1685 O PHE A 92 -1.296 -10.649 -5.786 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.490 -8.616 -3.938 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.752 -7.367 -3.148 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.855 -6.579 -3.417 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.896 -6.988 -2.127 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -4.098 -5.437 -2.686 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -2.133 -5.845 -1.392 1.00 0.46 C ATOM 1692 CZ PHE A 92 -3.236 -5.069 -1.672 1.00 0.52 C ATOM 0 H PHE A 92 -3.365 -8.885 -6.417 1.00 0.30 H new ATOM 0 HA PHE A 92 -1.134 -7.465 -5.097 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.442 -9.092 -4.174 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.928 -9.316 -3.319 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.533 -6.861 -4.208 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -1.032 -7.596 -1.903 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.963 -4.829 -2.906 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.456 -5.560 -0.600 1.00 0.46 H new ATOM 0 HZ PHE A 92 -3.426 -4.174 -1.099 1.00 0.52 H new ATOM 1702 N ASP A 93 0.477 -9.320 -5.503 1.00 0.37 N ATOM 1703 CA ASP A 93 1.425 -10.324 -5.948 1.00 0.43 C ATOM 1704 C ASP A 93 2.767 -10.125 -5.269 1.00 0.36 C ATOM 1705 O ASP A 93 3.150 -8.996 -4.953 1.00 0.39 O ATOM 1706 CB ASP A 93 1.585 -10.239 -7.471 1.00 0.58 C ATOM 1707 CG ASP A 93 2.655 -11.163 -8.013 1.00 0.80 C ATOM 1708 OD1 ASP A 93 2.408 -12.386 -8.088 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.747 -10.676 -8.364 1.00 1.24 O ATOM 0 H ASP A 93 0.899 -8.450 -5.178 1.00 0.37 H new ATOM 0 HA ASP A 93 1.048 -11.311 -5.680 1.00 0.43 H new ATOM 0 HB2 ASP A 93 0.633 -10.480 -7.943 1.00 0.58 H new ATOM 0 HB3 ASP A 93 1.827 -9.213 -7.747 1.00 0.58 H new ATOM 1714 N LEU A 94 3.473 -11.215 -5.027 1.00 0.42 N ATOM 1715 CA LEU A 94 4.823 -11.124 -4.510 1.00 0.51 C ATOM 1716 C LEU A 94 5.800 -11.112 -5.664 1.00 0.56 C ATOM 1717 O LEU A 94 5.907 -12.083 -6.417 1.00 0.63 O ATOM 1718 CB LEU A 94 5.162 -12.266 -3.546 1.00 0.61 C ATOM 1719 CG LEU A 94 4.632 -12.113 -2.114 1.00 0.64 C ATOM 1720 CD1 LEU A 94 5.600 -12.731 -1.130 1.00 1.02 C ATOM 1721 CD2 LEU A 94 4.405 -10.657 -1.758 1.00 1.12 C ATOM 0 H LEU A 94 3.136 -12.166 -5.179 1.00 0.42 H new ATOM 0 HA LEU A 94 4.898 -10.197 -3.941 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.770 -13.194 -3.961 1.00 0.61 H new ATOM 0 HB3 LEU A 94 6.246 -12.369 -3.503 1.00 0.61 H new ATOM 0 HG LEU A 94 3.675 -12.631 -2.059 1.00 0.64 H new ATOM 0 HD11 LEU A 94 5.213 -12.616 -0.118 1.00 1.02 H new ATOM 0 HD12 LEU A 94 5.720 -13.791 -1.354 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.566 -12.232 -1.208 1.00 1.02 H new ATOM 0 HD21 LEU A 94 4.030 -10.586 -0.737 1.00 1.12 H new ATOM 0 HD22 LEU A 94 5.346 -10.112 -1.837 1.00 1.12 H new ATOM 0 HD23 LEU A 94 3.676 -10.224 -2.443 1.00 1.12 H new ATOM 1733 N LYS A 95 6.509 -10.010 -5.800 1.00 0.58 N ATOM 1734 CA LYS A 95 7.465 -9.847 -6.875 1.00 0.66 C ATOM 1735 C LYS A 95 8.769 -10.499 -6.457 1.00 0.69 C ATOM 1736 O LYS A 95 9.391 -11.246 -7.212 1.00 0.78 O ATOM 1737 CB LYS A 95 7.662 -8.357 -7.173 1.00 0.70 C ATOM 1738 CG LYS A 95 8.800 -8.061 -8.130 1.00 0.91 C ATOM 1739 CD LYS A 95 8.897 -6.573 -8.419 1.00 1.61 C ATOM 1740 CE LYS A 95 10.213 -6.222 -9.087 1.00 2.08 C ATOM 1741 NZ LYS A 95 11.361 -6.375 -8.155 1.00 3.03 N ATOM 0 H LYS A 95 6.440 -9.208 -5.174 1.00 0.58 H new ATOM 0 HA LYS A 95 7.102 -10.323 -7.786 1.00 0.66 H new ATOM 0 HB2 LYS A 95 6.738 -7.956 -7.589 1.00 0.70 H new ATOM 0 HB3 LYS A 95 7.844 -7.831 -6.236 1.00 0.70 H new ATOM 0 HG2 LYS A 95 9.739 -8.414 -7.704 1.00 0.91 H new ATOM 0 HG3 LYS A 95 8.648 -8.607 -9.061 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.070 -6.271 -9.061 1.00 1.61 H new ATOM 0 HD3 LYS A 95 8.799 -6.013 -7.489 1.00 1.61 H new ATOM 0 HE2 LYS A 95 10.362 -6.863 -9.956 1.00 2.08 H new ATOM 0 HE3 LYS A 95 10.174 -5.195 -9.451 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 12.150 -6.839 -8.649 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 11.665 -5.438 -7.821 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 11.073 -6.955 -7.342 1.00 3.03 H new ATOM 1755 N ASP A 96 9.144 -10.224 -5.223 1.00 0.65 N ATOM 1756 CA ASP A 96 10.287 -10.846 -4.591 1.00 0.70 C ATOM 1757 C ASP A 96 9.807 -11.447 -3.278 1.00 0.65 C ATOM 1758 O ASP A 96 8.731 -11.085 -2.795 1.00 0.60 O ATOM 1759 CB ASP A 96 11.392 -9.812 -4.328 1.00 0.76 C ATOM 1760 CG ASP A 96 11.913 -9.151 -5.594 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.337 -8.131 -6.026 1.00 1.03 O ATOM 1762 OD2 ASP A 96 12.919 -9.638 -6.150 1.00 1.79 O ATOM 0 H ASP A 96 8.657 -9.555 -4.626 1.00 0.65 H new ATOM 0 HA ASP A 96 10.706 -11.615 -5.240 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.008 -9.043 -3.657 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.220 -10.299 -3.814 1.00 0.76 H new ATOM 1767 N PRO A 97 10.586 -12.356 -2.664 1.00 0.73 N ATOM 1768 CA PRO A 97 10.195 -13.030 -1.418 1.00 0.76 C ATOM 1769 C PRO A 97 10.181 -12.074 -0.226 1.00 0.66 C ATOM 1770 O PRO A 97 9.952 -12.481 0.912 1.00 0.73 O ATOM 1771 CB PRO A 97 11.277 -14.107 -1.229 1.00 0.91 C ATOM 1772 CG PRO A 97 11.996 -14.181 -2.536 1.00 0.98 C ATOM 1773 CD PRO A 97 11.906 -12.804 -3.121 1.00 0.87 C ATOM 0 HA PRO A 97 9.184 -13.434 -1.476 1.00 0.76 H new ATOM 0 HB2 PRO A 97 11.958 -13.842 -0.420 1.00 0.91 H new ATOM 0 HB3 PRO A 97 10.833 -15.068 -0.970 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.035 -14.481 -2.396 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.537 -14.918 -3.195 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.704 -12.155 -2.759 1.00 0.87 H new ATOM 0 HD3 PRO A 97 11.976 -12.819 -4.209 1.00 0.87 H new ATOM 1781 N ASN A 98 10.416 -10.802 -0.510 1.00 0.57 N ATOM 1782 CA ASN A 98 10.447 -9.765 0.508 1.00 0.55 C ATOM 1783 C ASN A 98 9.907 -8.456 -0.056 1.00 0.46 C ATOM 1784 O ASN A 98 10.274 -7.371 0.393 1.00 0.50 O ATOM 1785 CB ASN A 98 11.870 -9.558 1.047 1.00 0.68 C ATOM 1786 CG ASN A 98 12.858 -9.097 -0.015 1.00 1.38 C ATOM 1787 OD1 ASN A 98 12.757 -9.463 -1.188 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.826 -8.293 0.391 1.00 1.91 N ATOM 0 H ASN A 98 10.591 -10.460 -1.455 1.00 0.57 H new ATOM 0 HA ASN A 98 9.814 -10.087 1.335 1.00 0.55 H new ATOM 0 HB2 ASN A 98 11.843 -8.822 1.851 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.225 -10.492 1.482 1.00 0.68 H new ATOM 0 HD21 ASN A 98 14.521 -7.955 -0.275 1.00 1.91 H new ATOM 0 HD22 ASN A 98 13.878 -8.011 1.370 1.00 1.91 H new ATOM 1795 N THR A 99 9.032 -8.561 -1.048 1.00 0.43 N ATOM 1796 CA THR A 99 8.417 -7.384 -1.644 1.00 0.39 C ATOM 1797 C THR A 99 7.037 -7.711 -2.211 1.00 0.33 C ATOM 1798 O THR A 99 6.910 -8.429 -3.208 1.00 0.37 O ATOM 1799 CB THR A 99 9.299 -6.787 -2.758 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.604 -6.488 -2.240 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.674 -5.517 -3.321 1.00 0.51 C ATOM 0 H THR A 99 8.733 -9.447 -1.455 1.00 0.43 H new ATOM 0 HA THR A 99 8.311 -6.646 -0.849 1.00 0.39 H new ATOM 0 HB THR A 99 9.381 -7.521 -3.559 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.160 -6.110 -2.953 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.314 -5.113 -4.106 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.693 -5.747 -3.736 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.567 -4.780 -2.525 1.00 0.51 H new ATOM 1809 N LEU A 100 6.011 -7.189 -1.556 1.00 0.28 N ATOM 1810 CA LEU A 100 4.638 -7.312 -2.026 1.00 0.26 C ATOM 1811 C LEU A 100 4.384 -6.208 -3.045 1.00 0.27 C ATOM 1812 O LEU A 100 4.917 -5.117 -2.902 1.00 0.34 O ATOM 1813 CB LEU A 100 3.674 -7.158 -0.837 1.00 0.28 C ATOM 1814 CG LEU A 100 2.430 -8.058 -0.833 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.596 -7.785 0.407 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.590 -7.857 -2.083 1.00 1.10 C ATOM 0 H LEU A 100 6.106 -6.668 -0.684 1.00 0.28 H new ATOM 0 HA LEU A 100 4.478 -8.288 -2.484 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.233 -7.347 0.080 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.343 -6.120 -0.801 1.00 0.28 H new ATOM 0 HG LEU A 100 2.767 -9.095 -0.823 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.716 -8.428 0.402 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.190 -7.990 1.298 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.283 -6.741 0.412 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.718 -8.511 -2.045 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.263 -6.819 -2.138 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.185 -8.097 -2.964 1.00 1.10 H new ATOM 1828 N THR A 101 3.602 -6.466 -4.075 1.00 0.29 N ATOM 1829 CA THR A 101 3.284 -5.427 -5.039 1.00 0.31 C ATOM 1830 C THR A 101 1.779 -5.293 -5.223 1.00 0.30 C ATOM 1831 O THR A 101 1.065 -6.290 -5.341 1.00 0.31 O ATOM 1832 CB THR A 101 3.955 -5.691 -6.402 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.846 -7.076 -6.751 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.419 -5.282 -6.374 1.00 0.41 C ATOM 0 H THR A 101 3.179 -7.374 -4.266 1.00 0.29 H new ATOM 0 HA THR A 101 3.676 -4.492 -4.639 1.00 0.31 H new ATOM 0 HB THR A 101 3.440 -5.091 -7.152 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.436 -7.569 -6.010 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.870 -5.478 -7.347 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.495 -4.219 -6.146 1.00 0.41 H new ATOM 0 HG23 THR A 101 5.942 -5.856 -5.609 1.00 0.41 H new ATOM 1842 N GLU A 102 1.307 -4.055 -5.218 1.00 0.31 N ATOM 1843 CA GLU A 102 -0.099 -3.764 -5.446 1.00 0.33 C ATOM 1844 C GLU A 102 -0.238 -2.970 -6.741 1.00 0.35 C ATOM 1845 O GLU A 102 0.011 -1.760 -6.770 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.688 -2.978 -4.265 1.00 0.39 C ATOM 1847 CG GLU A 102 -2.195 -2.774 -4.352 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.721 -1.790 -3.321 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -2.277 -0.625 -3.314 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.568 -2.191 -2.502 1.00 0.98 O ATOM 0 H GLU A 102 1.884 -3.230 -5.057 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.653 -4.699 -5.532 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.455 -3.503 -3.339 1.00 0.39 H new ATOM 0 HB3 GLU A 102 -0.202 -2.004 -4.210 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.451 -2.418 -5.350 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.694 -3.734 -4.218 1.00 0.56 H new ATOM 1857 N THR A 103 -0.616 -3.651 -7.812 1.00 0.36 N ATOM 1858 CA THR A 103 -0.699 -3.029 -9.124 1.00 0.39 C ATOM 1859 C THR A 103 -2.129 -2.588 -9.413 1.00 0.39 C ATOM 1860 O THR A 103 -3.054 -3.402 -9.390 1.00 0.42 O ATOM 1861 CB THR A 103 -0.226 -4.005 -10.221 1.00 0.43 C ATOM 1862 OG1 THR A 103 1.087 -4.491 -9.900 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.200 -3.330 -11.586 1.00 0.46 C ATOM 0 H THR A 103 -0.871 -4.638 -7.798 1.00 0.36 H new ATOM 0 HA THR A 103 -0.048 -2.155 -9.126 1.00 0.39 H new ATOM 0 HB THR A 103 -0.930 -4.836 -10.264 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.385 -5.112 -10.597 1.00 0.51 H new ATOM 0 HG21 THR A 103 0.137 -4.043 -12.338 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.202 -2.982 -11.839 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.483 -2.481 -11.559 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.314 -1.297 -9.656 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.643 -0.758 -9.903 1.00 0.45 C ATOM 1873 C HIS A 104 -3.815 -0.414 -11.377 1.00 0.40 C ATOM 1874 O HIS A 104 -3.056 0.386 -11.924 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.900 0.512 -9.080 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.204 0.568 -7.756 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -2.373 1.605 -7.396 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.230 -0.273 -6.697 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -1.916 1.396 -6.180 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -2.421 0.269 -5.734 1.00 1.69 N ATOM 0 H HIS A 104 -1.563 -0.607 -9.687 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.356 -1.528 -9.608 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.593 1.376 -9.670 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.973 0.605 -8.912 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -3.784 -1.197 -6.625 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -1.240 2.042 -5.640 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -2.240 -0.138 -4.816 1.00 1.69 H new ATOM 1889 N ILE A 105 -4.806 -1.018 -12.012 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.160 -0.668 -13.376 1.00 0.52 C ATOM 1891 C ILE A 105 -6.565 -0.094 -13.415 1.00 0.54 C ATOM 1892 O ILE A 105 -7.544 -0.790 -13.140 1.00 0.55 O ATOM 1893 CB ILE A 105 -5.079 -1.871 -14.326 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.677 -2.469 -14.295 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.458 -1.453 -15.745 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.464 -3.534 -15.336 1.00 0.75 C ATOM 0 H ILE A 105 -5.380 -1.755 -11.603 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.438 0.075 -13.715 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.786 -2.631 -13.995 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.946 -1.674 -14.443 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.491 -2.892 -13.308 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.396 -2.316 -16.407 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.476 -1.064 -15.750 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.773 -0.680 -16.092 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.447 -3.918 -15.260 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -4.172 -4.347 -15.175 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.619 -3.109 -16.328 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.648 1.183 -13.723 1.00 0.59 N ATOM 1909 CA LYS A 106 -7.924 1.884 -13.763 1.00 0.63 C ATOM 1910 C LYS A 106 -8.836 1.317 -14.847 1.00 0.67 C ATOM 1911 O LYS A 106 -8.441 1.161 -16.000 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.698 3.380 -13.985 1.00 0.73 C ATOM 1913 CG LYS A 106 -6.865 4.040 -12.894 1.00 0.81 C ATOM 1914 CD LYS A 106 -6.495 5.467 -13.267 1.00 1.05 C ATOM 1915 CE LYS A 106 -5.524 6.086 -12.268 1.00 1.47 C ATOM 1916 NZ LYS A 106 -6.195 6.528 -11.017 1.00 1.61 N ATOM 0 H LYS A 106 -5.842 1.765 -13.952 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.418 1.739 -12.802 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.204 3.526 -14.946 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.665 3.880 -14.045 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.423 4.040 -11.958 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -5.958 3.459 -12.725 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.048 5.477 -14.261 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -7.399 6.074 -13.318 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -4.749 5.360 -12.023 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -5.027 6.939 -12.730 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -5.481 6.863 -10.339 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -6.857 7.301 -11.232 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -6.718 5.730 -10.603 1.00 1.61 H new ATOM 1930 N VAL A 107 -10.059 1.000 -14.427 1.00 0.70 N ATOM 1931 CA VAL A 107 -11.087 0.450 -15.307 1.00 0.78 C ATOM 1932 C VAL A 107 -11.372 1.384 -16.468 1.00 0.86 C ATOM 1933 O VAL A 107 -11.685 0.947 -17.575 1.00 0.92 O ATOM 1934 CB VAL A 107 -12.399 0.196 -14.535 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -12.181 -0.872 -13.494 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.912 1.471 -13.879 1.00 1.11 C ATOM 0 H VAL A 107 -10.366 1.118 -13.461 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.705 -0.495 -15.692 1.00 0.78 H new ATOM 0 HB VAL A 107 -13.153 -0.140 -15.247 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -13.110 -1.047 -12.952 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -11.865 -1.795 -13.980 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -11.410 -0.547 -12.796 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.837 1.258 -13.343 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -12.165 1.846 -13.179 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -13.101 2.223 -14.645 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.254 2.670 -16.199 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.519 3.683 -17.205 1.00 1.00 C ATOM 1948 C ASP A 108 -10.285 3.908 -18.068 1.00 0.97 C ATOM 1949 O ASP A 108 -10.335 3.755 -19.287 1.00 1.06 O ATOM 1950 CB ASP A 108 -11.949 4.994 -16.551 1.00 1.05 C ATOM 1951 CG ASP A 108 -12.652 5.914 -17.525 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -11.981 6.516 -18.382 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -13.890 6.043 -17.433 1.00 2.50 O ATOM 0 H ASP A 108 -10.976 3.040 -15.290 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.332 3.330 -17.839 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -12.612 4.780 -15.713 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -11.073 5.499 -16.144 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.169 4.246 -17.428 1.00 0.91 N ATOM 1959 CA ASP A 109 -7.921 4.463 -18.148 1.00 0.92 C ATOM 1960 C ASP A 109 -6.855 3.484 -17.695 1.00 0.84 C ATOM 1961 O ASP A 109 -6.116 3.741 -16.744 1.00 0.85 O ATOM 1962 CB ASP A 109 -7.395 5.894 -17.966 1.00 1.03 C ATOM 1963 CG ASP A 109 -8.277 6.949 -18.601 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -8.747 7.854 -17.878 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -8.531 6.862 -19.821 1.00 1.94 O ATOM 0 H ASP A 109 -9.105 4.375 -16.418 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.140 4.304 -19.204 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -7.300 6.105 -16.901 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -6.395 5.962 -18.395 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.758 2.348 -18.383 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.718 1.352 -18.132 1.00 0.78 C ATOM 1972 C PRO A 110 -4.355 1.846 -18.606 1.00 0.86 C ATOM 1973 O PRO A 110 -3.328 1.196 -18.402 1.00 0.90 O ATOM 1974 CB PRO A 110 -6.182 0.150 -18.951 1.00 0.80 C ATOM 1975 CG PRO A 110 -7.002 0.733 -20.042 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.671 1.933 -19.458 1.00 0.83 C ATOM 0 HA PRO A 110 -5.591 1.126 -17.073 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.335 -0.410 -19.348 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.765 -0.542 -18.344 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -6.379 1.009 -20.893 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.737 0.014 -20.404 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.801 2.721 -20.200 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.662 1.692 -19.072 1.00 0.83 H new ATOM 1984 N THR A 111 -4.371 3.002 -19.251 1.00 0.93 N ATOM 1985 CA THR A 111 -3.161 3.665 -19.689 1.00 1.05 C ATOM 1986 C THR A 111 -2.508 4.401 -18.528 1.00 0.94 C ATOM 1987 O THR A 111 -1.299 4.622 -18.511 1.00 0.98 O ATOM 1988 CB THR A 111 -3.478 4.663 -20.815 1.00 1.30 C ATOM 1989 OG1 THR A 111 -4.563 5.514 -20.420 1.00 1.33 O ATOM 1990 CG2 THR A 111 -3.855 3.928 -22.086 1.00 1.47 C ATOM 0 H THR A 111 -5.227 3.505 -19.484 1.00 0.93 H new ATOM 0 HA THR A 111 -2.473 2.907 -20.063 1.00 1.05 H new ATOM 0 HB THR A 111 -2.589 5.265 -21.003 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.760 6.149 -21.140 1.00 1.33 H new ATOM 0 HG21 THR A 111 -4.076 4.650 -22.872 1.00 1.47 H new ATOM 0 HG22 THR A 111 -3.026 3.293 -22.399 1.00 1.47 H new ATOM 0 HG23 THR A 111 -4.735 3.311 -21.902 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.320 4.764 -17.549 1.00 0.86 N ATOM 1999 CA ASP A 112 -2.836 5.498 -16.390 1.00 0.86 C ATOM 2000 C ASP A 112 -2.782 4.582 -15.169 1.00 0.79 C ATOM 2001 O ASP A 112 -3.451 4.811 -14.164 1.00 1.18 O ATOM 2002 CB ASP A 112 -3.728 6.712 -16.120 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.125 7.659 -15.102 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -3.773 7.927 -14.070 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -1.994 8.145 -15.329 1.00 1.40 O ATOM 0 H ASP A 112 -4.320 4.562 -17.533 1.00 0.86 H new ATOM 0 HA ASP A 112 -1.827 5.855 -16.595 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -3.899 7.248 -17.054 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -4.701 6.372 -15.764 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.011 3.510 -15.292 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.795 2.582 -14.195 1.00 0.68 C ATOM 2012 C VAL A 113 -0.991 3.210 -13.068 1.00 0.60 C ATOM 2013 O VAL A 113 -0.591 4.370 -13.149 1.00 0.79 O ATOM 2014 CB VAL A 113 -1.064 1.315 -14.668 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -1.983 0.463 -15.514 1.00 1.60 C ATOM 2016 CG2 VAL A 113 0.204 1.671 -15.433 1.00 1.23 C ATOM 0 H VAL A 113 -1.521 3.262 -16.151 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.785 2.319 -13.823 1.00 0.68 H new ATOM 0 HB VAL A 113 -0.772 0.739 -13.790 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -1.452 -0.431 -15.842 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -2.854 0.172 -14.926 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.307 1.032 -16.385 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.702 0.757 -15.757 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -0.054 2.272 -16.305 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.872 2.239 -14.786 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.764 2.430 -12.022 1.00 0.45 N ATOM 2027 CA GLU A 114 0.042 2.867 -10.889 1.00 0.47 C ATOM 2028 C GLU A 114 0.292 1.682 -9.959 1.00 0.44 C ATOM 2029 O GLU A 114 -0.600 0.855 -9.751 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.663 3.993 -10.133 1.00 0.64 C ATOM 2031 CG GLU A 114 0.254 4.755 -9.194 1.00 0.96 C ATOM 2032 CD GLU A 114 -0.450 5.892 -8.483 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -1.696 5.885 -8.452 1.00 2.78 O ATOM 2034 OE2 GLU A 114 0.239 6.777 -7.929 1.00 2.10 O ATOM 0 H GLU A 114 -1.130 1.482 -11.933 1.00 0.45 H new ATOM 0 HA GLU A 114 0.996 3.247 -11.255 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.094 4.689 -10.852 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.490 3.574 -9.560 1.00 0.64 H new ATOM 0 HG2 GLU A 114 0.662 4.067 -8.454 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.097 5.152 -9.759 1.00 0.96 H new ATOM 2041 N THR A 115 1.492 1.593 -9.406 1.00 0.45 N ATOM 2042 CA THR A 115 1.851 0.460 -8.568 1.00 0.45 C ATOM 2043 C THR A 115 2.618 0.896 -7.316 1.00 0.44 C ATOM 2044 O THR A 115 3.541 1.707 -7.383 1.00 0.51 O ATOM 2045 CB THR A 115 2.696 -0.563 -9.363 1.00 0.49 C ATOM 2046 OG1 THR A 115 1.958 -1.025 -10.503 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.084 -1.759 -8.500 1.00 0.53 C ATOM 0 H THR A 115 2.230 2.288 -9.522 1.00 0.45 H new ATOM 0 HA THR A 115 0.919 -0.008 -8.250 1.00 0.45 H new ATOM 0 HB THR A 115 3.608 -0.060 -9.685 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.499 -1.671 -11.003 1.00 0.53 H new ATOM 0 HG21 THR A 115 3.677 -2.457 -9.091 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.670 -1.417 -7.647 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.183 -2.259 -8.144 1.00 0.53 H new ATOM 2055 N TYR A 116 2.212 0.346 -6.179 1.00 0.41 N ATOM 2056 CA TYR A 116 2.948 0.524 -4.933 1.00 0.43 C ATOM 2057 C TYR A 116 3.615 -0.803 -4.611 1.00 0.38 C ATOM 2058 O TYR A 116 3.177 -1.837 -5.121 1.00 0.39 O ATOM 2059 CB TYR A 116 2.028 0.901 -3.762 1.00 0.54 C ATOM 2060 CG TYR A 116 1.063 2.048 -4.001 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.278 3.003 -4.987 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.071 2.174 -3.207 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.389 4.047 -5.176 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -0.962 3.211 -3.390 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.730 4.143 -4.372 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.619 5.178 -4.546 1.00 0.96 O ATOM 0 H TYR A 116 1.374 -0.229 -6.093 1.00 0.41 H new ATOM 0 HA TYR A 116 3.666 1.334 -5.062 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.449 0.020 -3.486 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.653 1.153 -2.905 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.153 2.930 -5.616 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.258 1.446 -2.432 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.569 4.782 -5.947 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.838 3.290 -2.764 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.350 5.094 -3.898 1.00 0.96 H new ATOM 2076 N GLU A 117 4.638 -0.820 -3.770 1.00 0.37 N ATOM 2077 CA GLU A 117 5.256 -2.081 -3.392 1.00 0.35 C ATOM 2078 C GLU A 117 5.636 -2.040 -1.913 1.00 0.34 C ATOM 2079 O GLU A 117 6.110 -1.019 -1.417 1.00 0.44 O ATOM 2080 CB GLU A 117 6.477 -2.375 -4.271 1.00 0.44 C ATOM 2081 CG GLU A 117 7.536 -1.291 -4.233 1.00 0.92 C ATOM 2082 CD GLU A 117 8.635 -1.507 -5.251 1.00 0.83 C ATOM 2083 OE1 GLU A 117 9.670 -2.109 -4.901 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.470 -1.073 -6.412 1.00 1.18 O ATOM 0 H GLU A 117 5.052 0.009 -3.343 1.00 0.37 H new ATOM 0 HA GLU A 117 4.542 -2.890 -3.547 1.00 0.35 H new ATOM 0 HB2 GLU A 117 6.924 -3.317 -3.952 1.00 0.44 H new ATOM 0 HB3 GLU A 117 6.147 -2.511 -5.301 1.00 0.44 H new ATOM 0 HG2 GLU A 117 7.066 -0.324 -4.413 1.00 0.92 H new ATOM 0 HG3 GLU A 117 7.974 -1.252 -3.236 1.00 0.92 H new ATOM 2091 N TYR A 118 5.395 -3.141 -1.219 1.00 0.29 N ATOM 2092 CA TYR A 118 5.628 -3.231 0.216 1.00 0.29 C ATOM 2093 C TYR A 118 6.832 -4.120 0.518 1.00 0.31 C ATOM 2094 O TYR A 118 6.768 -5.337 0.348 1.00 0.41 O ATOM 2095 CB TYR A 118 4.391 -3.806 0.922 1.00 0.32 C ATOM 2096 CG TYR A 118 3.133 -2.976 0.772 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.863 -1.930 1.643 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.203 -3.245 -0.230 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.715 -1.182 1.520 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.059 -2.500 -0.357 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.821 -1.474 0.518 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.318 -0.740 0.375 1.00 0.60 O ATOM 0 H TYR A 118 5.032 -3.999 -1.634 1.00 0.29 H new ATOM 0 HA TYR A 118 5.827 -2.225 0.585 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.199 -4.806 0.532 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.613 -3.915 1.983 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.566 -1.699 2.430 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.387 -4.056 -0.920 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.518 -0.371 2.206 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.351 -2.721 -1.142 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.835 -1.082 -0.384 1.00 0.60 H new ATOM 2112 N ARG A 119 7.927 -3.514 0.950 1.00 0.31 N ATOM 2113 CA ARG A 119 9.098 -4.276 1.370 1.00 0.35 C ATOM 2114 C ARG A 119 9.394 -4.008 2.841 1.00 0.35 C ATOM 2115 O ARG A 119 8.811 -3.109 3.445 1.00 0.42 O ATOM 2116 CB ARG A 119 10.319 -3.936 0.515 1.00 0.46 C ATOM 2117 CG ARG A 119 10.915 -2.578 0.815 1.00 1.14 C ATOM 2118 CD ARG A 119 12.167 -2.337 0.003 1.00 1.30 C ATOM 2119 NE ARG A 119 13.222 -3.312 0.291 1.00 1.83 N ATOM 2120 CZ ARG A 119 14.068 -3.791 -0.625 1.00 2.50 C ATOM 2121 NH1 ARG A 119 13.956 -3.429 -1.895 1.00 2.76 N ATOM 2122 NH2 ARG A 119 15.026 -4.637 -0.269 1.00 3.41 N ATOM 0 H ARG A 119 8.032 -2.502 1.020 1.00 0.31 H new ATOM 0 HA ARG A 119 8.879 -5.335 1.234 1.00 0.35 H new ATOM 0 HB2 ARG A 119 11.082 -4.699 0.668 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.036 -3.974 -0.537 1.00 0.46 H new ATOM 0 HG2 ARG A 119 10.182 -1.801 0.597 1.00 1.14 H new ATOM 0 HG3 ARG A 119 11.149 -2.507 1.877 1.00 1.14 H new ATOM 0 HD2 ARG A 119 11.921 -2.377 -1.058 1.00 1.30 H new ATOM 0 HD3 ARG A 119 12.540 -1.333 0.206 1.00 1.30 H new ATOM 0 HE ARG A 119 13.316 -3.646 1.250 1.00 1.83 H new ATOM 0 HH11 ARG A 119 13.221 -2.781 -2.178 1.00 2.76 H new ATOM 0 HH12 ARG A 119 14.605 -3.798 -2.590 1.00 2.76 H new ATOM 0 HH21 ARG A 119 15.118 -4.923 0.706 1.00 3.41 H new ATOM 0 HH22 ARG A 119 15.671 -5.002 -0.970 1.00 3.41 H new ATOM 2136 N ARG A 120 10.286 -4.793 3.419 1.00 0.36 N ATOM 2137 CA ARG A 120 10.632 -4.640 4.824 1.00 0.41 C ATOM 2138 C ARG A 120 12.097 -4.284 5.006 1.00 0.46 C ATOM 2139 O ARG A 120 12.978 -5.127 4.841 1.00 0.63 O ATOM 2140 CB ARG A 120 10.308 -5.914 5.598 1.00 0.49 C ATOM 2141 CG ARG A 120 8.869 -5.993 6.068 1.00 1.06 C ATOM 2142 CD ARG A 120 8.577 -4.957 7.141 1.00 0.97 C ATOM 2143 NE ARG A 120 9.498 -5.060 8.273 1.00 1.27 N ATOM 2144 CZ ARG A 120 9.141 -4.889 9.544 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.871 -4.668 9.860 1.00 1.62 N ATOM 2146 NH2 ARG A 120 10.056 -4.952 10.501 1.00 1.96 N ATOM 0 H ARG A 120 10.784 -5.543 2.939 1.00 0.36 H new ATOM 0 HA ARG A 120 10.033 -3.819 5.218 1.00 0.41 H new ATOM 0 HB2 ARG A 120 10.522 -6.776 4.967 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.968 -5.980 6.463 1.00 0.49 H new ATOM 0 HG2 ARG A 120 8.200 -5.840 5.221 1.00 1.06 H new ATOM 0 HG3 ARG A 120 8.667 -6.990 6.459 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.646 -3.959 6.708 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.554 -5.081 7.495 1.00 0.97 H new ATOM 0 HE ARG A 120 10.475 -5.276 8.076 1.00 1.27 H new ATOM 0 HH11 ARG A 120 7.163 -4.628 9.127 1.00 1.62 H new ATOM 0 HH12 ARG A 120 7.603 -4.538 10.836 1.00 1.62 H new ATOM 0 HH21 ARG A 120 11.032 -5.131 10.263 1.00 1.96 H new ATOM 0 HH22 ARG A 120 9.785 -4.821 11.475 1.00 1.96 H new ATOM 2160 N ASP A 121 12.350 -3.038 5.363 1.00 0.49 N ATOM 2161 CA ASP A 121 13.710 -2.579 5.585 1.00 0.59 C ATOM 2162 C ASP A 121 13.897 -2.213 7.049 1.00 0.66 C ATOM 2163 O ASP A 121 13.523 -1.121 7.483 1.00 1.08 O ATOM 2164 CB ASP A 121 14.019 -1.380 4.691 1.00 0.67 C ATOM 2165 CG ASP A 121 15.504 -1.169 4.495 1.00 0.82 C ATOM 2166 OD1 ASP A 121 16.058 -1.662 3.489 1.00 0.96 O ATOM 2167 OD2 ASP A 121 16.129 -0.516 5.358 1.00 0.88 O ATOM 0 H ASP A 121 11.633 -2.326 5.505 1.00 0.49 H new ATOM 0 HA ASP A 121 14.402 -3.382 5.331 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.545 -1.523 3.720 1.00 0.67 H new ATOM 0 HB3 ASP A 121 13.583 -0.482 5.129 1.00 0.67 H new ATOM 2172 N GLY A 122 14.450 -3.142 7.811 1.00 0.73 N ATOM 2173 CA GLY A 122 14.645 -2.922 9.226 1.00 0.83 C ATOM 2174 C GLY A 122 13.377 -3.165 10.012 1.00 0.78 C ATOM 2175 O GLY A 122 12.745 -4.214 9.877 1.00 0.92 O ATOM 0 H GLY A 122 14.769 -4.050 7.472 1.00 0.73 H new ATOM 0 HA2 GLY A 122 15.431 -3.582 9.592 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.985 -1.900 9.391 1.00 0.83 H new ATOM 2179 N ASP A 123 12.986 -2.192 10.817 1.00 0.70 N ATOM 2180 CA ASP A 123 11.777 -2.313 11.623 1.00 0.78 C ATOM 2181 C ASP A 123 10.636 -1.524 11.007 1.00 0.64 C ATOM 2182 O ASP A 123 9.616 -1.285 11.651 1.00 0.75 O ATOM 2183 CB ASP A 123 12.018 -1.830 13.056 1.00 0.98 C ATOM 2184 CG ASP A 123 12.922 -2.756 13.841 1.00 1.67 C ATOM 2185 OD1 ASP A 123 12.514 -3.904 14.108 1.00 2.17 O ATOM 2186 OD2 ASP A 123 14.039 -2.339 14.208 1.00 2.31 O ATOM 0 H ASP A 123 13.485 -1.310 10.932 1.00 0.70 H new ATOM 0 HA ASP A 123 11.507 -3.369 11.649 1.00 0.78 H new ATOM 0 HB2 ASP A 123 12.460 -0.834 13.030 1.00 0.98 H new ATOM 0 HB3 ASP A 123 11.061 -1.741 13.571 1.00 0.98 H new ATOM 2191 N TYR A 124 10.807 -1.124 9.757 1.00 0.48 N ATOM 2192 CA TYR A 124 9.816 -0.307 9.083 1.00 0.36 C ATOM 2193 C TYR A 124 9.331 -0.992 7.828 1.00 0.33 C ATOM 2194 O TYR A 124 10.107 -1.641 7.118 1.00 0.39 O ATOM 2195 CB TYR A 124 10.401 1.062 8.726 1.00 0.32 C ATOM 2196 CG TYR A 124 10.758 1.899 9.928 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.936 1.679 10.627 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.923 2.920 10.357 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.269 2.452 11.720 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.248 3.697 11.446 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.410 3.420 12.157 1.00 0.56 C ATOM 2202 OH TYR A 124 11.753 4.238 13.211 1.00 0.67 O ATOM 0 H TYR A 124 11.624 -1.353 9.190 1.00 0.48 H new ATOM 0 HA TYR A 124 8.974 -0.168 9.761 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.293 0.919 8.116 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.681 1.607 8.115 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.603 0.890 10.311 1.00 0.46 H new ATOM 0 HD2 TYR A 124 9.001 3.109 9.827 1.00 0.49 H new ATOM 0 HE1 TYR A 124 13.208 2.292 12.230 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.607 4.513 11.745 1.00 0.58 H new ATOM 0 HH TYR A 124 11.024 4.869 13.386 1.00 0.67 H new ATOM 2212 N LEU A 125 8.048 -0.863 7.559 1.00 0.30 N ATOM 2213 CA LEU A 125 7.496 -1.302 6.305 1.00 0.30 C ATOM 2214 C LEU A 125 7.768 -0.215 5.286 1.00 0.27 C ATOM 2215 O LEU A 125 7.357 0.926 5.470 1.00 0.31 O ATOM 2216 CB LEU A 125 5.989 -1.546 6.439 1.00 0.36 C ATOM 2217 CG LEU A 125 5.271 -1.983 5.158 1.00 0.44 C ATOM 2218 CD1 LEU A 125 5.615 -3.421 4.810 1.00 1.03 C ATOM 2219 CD2 LEU A 125 3.769 -1.811 5.307 1.00 0.88 C ATOM 0 H LEU A 125 7.368 -0.454 8.200 1.00 0.30 H new ATOM 0 HA LEU A 125 7.953 -2.241 5.994 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.829 -2.308 7.201 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.522 -0.630 6.801 1.00 0.36 H new ATOM 0 HG LEU A 125 5.611 -1.347 4.341 1.00 0.44 H new ATOM 0 HD11 LEU A 125 5.094 -3.709 3.897 1.00 1.03 H new ATOM 0 HD12 LEU A 125 6.691 -3.511 4.658 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.308 -4.076 5.625 1.00 1.03 H new ATOM 0 HD21 LEU A 125 3.274 -2.126 4.388 1.00 0.88 H new ATOM 0 HD22 LEU A 125 3.414 -2.420 6.138 1.00 0.88 H new ATOM 0 HD23 LEU A 125 3.540 -0.763 5.502 1.00 0.88 H new ATOM 2231 N VAL A 126 8.459 -0.550 4.223 1.00 0.29 N ATOM 2232 CA VAL A 126 8.890 0.464 3.289 1.00 0.34 C ATOM 2233 C VAL A 126 8.188 0.278 1.965 1.00 0.36 C ATOM 2234 O VAL A 126 8.359 -0.733 1.281 1.00 0.43 O ATOM 2235 CB VAL A 126 10.419 0.474 3.084 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.830 1.613 2.156 1.00 0.46 C ATOM 2237 CG2 VAL A 126 11.130 0.595 4.424 1.00 0.47 C ATOM 0 H VAL A 126 8.732 -1.503 3.984 1.00 0.29 H new ATOM 0 HA VAL A 126 8.621 1.430 3.717 1.00 0.34 H new ATOM 0 HB VAL A 126 10.711 -0.467 2.619 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.912 1.603 2.024 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.345 1.486 1.188 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.527 2.565 2.592 1.00 0.46 H new ATOM 0 HG21 VAL A 126 12.208 0.601 4.265 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.830 1.522 4.912 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.861 -0.251 5.056 1.00 0.47 H new ATOM 2247 N MET A 127 7.379 1.252 1.631 1.00 0.38 N ATOM 2248 CA MET A 127 6.663 1.243 0.380 1.00 0.46 C ATOM 2249 C MET A 127 7.427 2.045 -0.650 1.00 0.33 C ATOM 2250 O MET A 127 8.027 3.071 -0.331 1.00 0.33 O ATOM 2251 CB MET A 127 5.251 1.805 0.553 1.00 0.65 C ATOM 2252 CG MET A 127 4.719 2.486 -0.698 1.00 0.87 C ATOM 2253 SD MET A 127 3.051 3.116 -0.497 1.00 1.08 S ATOM 2254 CE MET A 127 2.167 1.588 -0.247 1.00 0.66 C ATOM 0 H MET A 127 7.199 2.069 2.215 1.00 0.38 H new ATOM 0 HA MET A 127 6.573 0.212 0.038 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.577 0.996 0.833 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.250 2.520 1.376 1.00 0.65 H new ATOM 0 HG2 MET A 127 5.382 3.308 -0.967 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.737 1.778 -1.526 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.161 1.679 -0.656 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.692 0.777 -0.752 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.107 1.373 0.820 1.00 0.66 H new ATOM 2264 N LYS A 128 7.408 1.579 -1.876 1.00 0.33 N ATOM 2265 CA LYS A 128 8.025 2.309 -2.956 1.00 0.35 C ATOM 2266 C LYS A 128 6.983 2.581 -4.021 1.00 0.35 C ATOM 2267 O LYS A 128 6.196 1.697 -4.381 1.00 0.44 O ATOM 2268 CB LYS A 128 9.213 1.539 -3.538 1.00 0.55 C ATOM 2269 CG LYS A 128 10.007 2.326 -4.569 1.00 0.82 C ATOM 2270 CD LYS A 128 11.122 1.486 -5.170 1.00 0.99 C ATOM 2271 CE LYS A 128 11.973 2.286 -6.145 1.00 1.42 C ATOM 2272 NZ LYS A 128 12.597 3.470 -5.501 1.00 2.20 N ATOM 0 H LYS A 128 6.972 0.698 -2.150 1.00 0.33 H new ATOM 0 HA LYS A 128 8.412 3.254 -2.575 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.878 1.247 -2.726 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.849 0.620 -3.997 1.00 0.55 H new ATOM 0 HG2 LYS A 128 9.340 2.668 -5.360 1.00 0.82 H new ATOM 0 HG3 LYS A 128 10.431 3.216 -4.103 1.00 0.82 H new ATOM 0 HD2 LYS A 128 11.754 1.097 -4.372 1.00 0.99 H new ATOM 0 HD3 LYS A 128 10.692 0.626 -5.684 1.00 0.99 H new ATOM 0 HE2 LYS A 128 12.753 1.644 -6.556 1.00 1.42 H new ATOM 0 HE3 LYS A 128 11.355 2.612 -6.981 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 13.493 3.693 -5.979 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 11.954 4.284 -5.574 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 12.782 3.263 -4.499 1.00 2.20 H new ATOM 2286 N MET A 129 6.945 3.819 -4.469 1.00 0.36 N ATOM 2287 CA MET A 129 6.023 4.249 -5.504 1.00 0.41 C ATOM 2288 C MET A 129 6.828 4.960 -6.577 1.00 0.35 C ATOM 2289 O MET A 129 7.525 5.929 -6.278 1.00 0.40 O ATOM 2290 CB MET A 129 4.977 5.198 -4.907 1.00 0.49 C ATOM 2291 CG MET A 129 4.319 4.663 -3.645 1.00 1.02 C ATOM 2292 SD MET A 129 3.523 5.951 -2.663 1.00 1.11 S ATOM 2293 CE MET A 129 2.208 6.459 -3.762 1.00 0.50 C ATOM 0 H MET A 129 7.555 4.560 -4.125 1.00 0.36 H new ATOM 0 HA MET A 129 5.500 3.394 -5.932 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.452 6.153 -4.682 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.207 5.393 -5.654 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.578 3.912 -3.919 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.070 4.161 -3.035 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.237 7.541 -3.888 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.337 5.977 -4.731 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.247 6.169 -3.338 1.00 0.50 H new ATOM 2303 N SER A 130 6.776 4.481 -7.808 1.00 0.34 N ATOM 2304 CA SER A 130 7.619 5.041 -8.851 1.00 0.33 C ATOM 2305 C SER A 130 6.830 5.318 -10.126 1.00 0.33 C ATOM 2306 O SER A 130 5.995 4.518 -10.544 1.00 0.38 O ATOM 2307 CB SER A 130 8.772 4.093 -9.151 1.00 0.39 C ATOM 2308 OG SER A 130 9.267 3.494 -7.960 1.00 1.06 O ATOM 0 H SER A 130 6.169 3.718 -8.107 1.00 0.34 H new ATOM 0 HA SER A 130 8.010 5.991 -8.488 1.00 0.33 H new ATOM 0 HB2 SER A 130 8.439 3.317 -9.840 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.575 4.638 -9.648 1.00 0.39 H new ATOM 0 HG SER A 130 9.474 2.551 -8.130 1.00 1.06 H new ATOM 2314 N TRP A 131 7.094 6.468 -10.718 1.00 0.32 N ATOM 2315 CA TRP A 131 6.465 6.859 -11.968 1.00 0.34 C ATOM 2316 C TRP A 131 7.400 7.763 -12.761 1.00 0.34 C ATOM 2317 O TRP A 131 7.889 8.767 -12.242 1.00 0.33 O ATOM 2318 CB TRP A 131 5.135 7.570 -11.696 1.00 0.36 C ATOM 2319 CG TRP A 131 4.333 7.818 -12.935 1.00 0.39 C ATOM 2320 CD1 TRP A 131 4.314 8.956 -13.683 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.437 6.903 -13.572 1.00 0.47 C ATOM 2322 NE1 TRP A 131 3.464 8.808 -14.750 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.914 7.553 -14.706 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.027 5.593 -13.297 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 2.005 6.941 -15.563 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.125 4.988 -14.148 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.622 5.660 -15.270 1.00 0.76 C ATOM 0 H TRP A 131 7.749 7.157 -10.348 1.00 0.32 H new ATOM 0 HA TRP A 131 6.262 5.964 -12.555 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.545 6.970 -11.003 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.334 8.522 -11.203 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.886 9.847 -13.467 1.00 0.46 H new ATOM 0 HE1 TRP A 131 3.273 9.516 -15.459 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.409 5.066 -12.435 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.616 7.458 -16.428 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 1.801 3.978 -13.946 1.00 0.73 H new ATOM 0 HH2 TRP A 131 0.918 5.157 -15.917 1.00 0.76 H new ATOM 2338 N LYS A 132 7.634 7.399 -14.018 1.00 0.37 N ATOM 2339 CA LYS A 132 8.565 8.114 -14.890 1.00 0.40 C ATOM 2340 C LYS A 132 9.951 8.230 -14.258 1.00 0.39 C ATOM 2341 O LYS A 132 10.615 9.260 -14.377 1.00 0.42 O ATOM 2342 CB LYS A 132 8.033 9.508 -15.247 1.00 0.44 C ATOM 2343 CG LYS A 132 6.763 9.485 -16.084 1.00 0.68 C ATOM 2344 CD LYS A 132 6.369 10.879 -16.552 1.00 1.22 C ATOM 2345 CE LYS A 132 6.047 11.803 -15.388 1.00 1.43 C ATOM 2346 NZ LYS A 132 5.656 13.161 -15.848 1.00 1.96 N ATOM 0 H LYS A 132 7.184 6.599 -14.463 1.00 0.37 H new ATOM 0 HA LYS A 132 8.655 7.530 -15.806 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.841 10.060 -14.327 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.805 10.053 -15.790 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.910 8.839 -16.950 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.950 9.055 -15.499 1.00 0.68 H new ATOM 0 HD2 LYS A 132 7.181 11.307 -17.140 1.00 1.22 H new ATOM 0 HD3 LYS A 132 5.502 10.809 -17.209 1.00 1.22 H new ATOM 0 HE2 LYS A 132 5.238 11.373 -14.797 1.00 1.43 H new ATOM 0 HE3 LYS A 132 6.915 11.878 -14.733 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 5.445 13.759 -15.024 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 6.437 13.582 -16.390 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 4.812 13.093 -16.452 1.00 1.96 H new ATOM 2360 N GLY A 133 10.385 7.170 -13.590 1.00 0.40 N ATOM 2361 CA GLY A 133 11.676 7.186 -12.926 1.00 0.42 C ATOM 2362 C GLY A 133 11.624 7.841 -11.558 1.00 0.40 C ATOM 2363 O GLY A 133 12.381 7.472 -10.658 1.00 0.53 O ATOM 0 H GLY A 133 9.866 6.297 -13.495 1.00 0.40 H new ATOM 0 HA2 GLY A 133 12.038 6.163 -12.821 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.395 7.716 -13.551 1.00 0.42 H new ATOM 2367 N VAL A 134 10.736 8.813 -11.402 1.00 0.35 N ATOM 2368 CA VAL A 134 10.565 9.506 -10.134 1.00 0.34 C ATOM 2369 C VAL A 134 9.955 8.565 -9.111 1.00 0.36 C ATOM 2370 O VAL A 134 8.882 8.006 -9.335 1.00 0.40 O ATOM 2371 CB VAL A 134 9.659 10.748 -10.285 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.493 11.463 -8.952 1.00 0.38 C ATOM 2373 CG2 VAL A 134 10.217 11.692 -11.337 1.00 0.43 C ATOM 0 H VAL A 134 10.119 9.141 -12.145 1.00 0.35 H new ATOM 0 HA VAL A 134 11.549 9.836 -9.800 1.00 0.34 H new ATOM 0 HB VAL A 134 8.675 10.414 -10.613 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.851 12.334 -9.084 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.040 10.785 -8.229 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.469 11.783 -8.587 1.00 0.38 H new ATOM 0 HG21 VAL A 134 9.565 12.561 -11.429 1.00 0.43 H new ATOM 0 HG22 VAL A 134 11.215 12.017 -11.042 1.00 0.43 H new ATOM 0 HG23 VAL A 134 10.272 11.177 -12.296 1.00 0.43 H new ATOM 2383 N SER A 135 10.632 8.379 -7.993 1.00 0.38 N ATOM 2384 CA SER A 135 10.166 7.439 -7.001 1.00 0.42 C ATOM 2385 C SER A 135 10.170 8.049 -5.616 1.00 0.40 C ATOM 2386 O SER A 135 10.824 9.058 -5.356 1.00 0.51 O ATOM 2387 CB SER A 135 11.026 6.176 -7.021 1.00 0.50 C ATOM 2388 OG SER A 135 10.493 5.161 -6.188 1.00 1.14 O ATOM 0 H SER A 135 11.498 8.863 -7.754 1.00 0.38 H new ATOM 0 HA SER A 135 9.138 7.176 -7.250 1.00 0.42 H new ATOM 0 HB2 SER A 135 11.102 5.804 -8.043 1.00 0.50 H new ATOM 0 HB3 SER A 135 12.037 6.420 -6.695 1.00 0.50 H new ATOM 0 HG SER A 135 10.022 4.500 -6.738 1.00 1.14 H new ATOM 2394 N THR A 136 9.425 7.416 -4.745 1.00 0.35 N ATOM 2395 CA THR A 136 9.304 7.846 -3.371 1.00 0.34 C ATOM 2396 C THR A 136 9.335 6.644 -2.436 1.00 0.31 C ATOM 2397 O THR A 136 8.775 5.586 -2.745 1.00 0.34 O ATOM 2398 CB THR A 136 8.004 8.653 -3.157 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.832 8.966 -1.770 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.797 7.886 -3.667 1.00 0.39 C ATOM 0 H THR A 136 8.881 6.583 -4.969 1.00 0.35 H new ATOM 0 HA THR A 136 10.150 8.494 -3.143 1.00 0.34 H new ATOM 0 HB THR A 136 8.088 9.580 -3.723 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.708 9.114 -1.357 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.895 8.476 -3.504 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.915 7.689 -4.733 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.713 6.941 -3.131 1.00 0.39 H new ATOM 2408 N SER A 137 10.022 6.797 -1.313 1.00 0.33 N ATOM 2409 CA SER A 137 10.080 5.749 -0.312 1.00 0.32 C ATOM 2410 C SER A 137 9.215 6.131 0.881 1.00 0.31 C ATOM 2411 O SER A 137 9.464 7.135 1.554 1.00 0.40 O ATOM 2412 CB SER A 137 11.523 5.504 0.125 1.00 0.39 C ATOM 2413 OG SER A 137 12.394 5.504 -0.997 1.00 0.79 O ATOM 0 H SER A 137 10.547 7.639 -1.075 1.00 0.33 H new ATOM 0 HA SER A 137 9.697 4.824 -0.744 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.831 6.276 0.831 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.593 4.549 0.646 1.00 0.39 H new ATOM 0 HG SER A 137 13.314 5.347 -0.697 1.00 0.79 H new ATOM 2419 N ARG A 138 8.191 5.340 1.117 1.00 0.35 N ATOM 2420 CA ARG A 138 7.249 5.589 2.191 1.00 0.44 C ATOM 2421 C ARG A 138 7.587 4.703 3.383 1.00 0.39 C ATOM 2422 O ARG A 138 7.508 3.478 3.295 1.00 0.43 O ATOM 2423 CB ARG A 138 5.831 5.298 1.701 1.00 0.63 C ATOM 2424 CG ARG A 138 5.407 6.139 0.504 1.00 1.08 C ATOM 2425 CD ARG A 138 4.847 7.480 0.937 1.00 0.88 C ATOM 2426 NE ARG A 138 3.606 7.321 1.691 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.974 8.310 2.313 1.00 1.07 C ATOM 2428 NH1 ARG A 138 3.453 9.546 2.271 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.855 8.055 2.974 1.00 1.63 N ATOM 0 H ARG A 138 7.986 4.504 0.570 1.00 0.35 H new ATOM 0 HA ARG A 138 7.311 6.633 2.499 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.758 4.243 1.436 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.132 5.470 2.519 1.00 0.63 H new ATOM 0 HG2 ARG A 138 6.262 6.296 -0.153 1.00 1.08 H new ATOM 0 HG3 ARG A 138 4.656 5.599 -0.073 1.00 1.08 H new ATOM 0 HD2 ARG A 138 5.582 8.002 1.549 1.00 0.88 H new ATOM 0 HD3 ARG A 138 4.664 8.100 0.059 1.00 0.88 H new ATOM 0 HE ARG A 138 3.197 6.388 1.743 1.00 0.82 H new ATOM 0 HH11 ARG A 138 4.313 9.743 1.758 1.00 1.84 H new ATOM 0 HH12 ARG A 138 2.962 10.300 2.751 1.00 1.84 H new ATOM 0 HH21 ARG A 138 1.485 7.105 3.003 1.00 1.63 H new ATOM 0 HH22 ARG A 138 1.363 8.809 3.454 1.00 1.63 H new ATOM 2443 N TYR A 139 7.974 5.317 4.490 1.00 0.39 N ATOM 2444 CA TYR A 139 8.379 4.568 5.671 1.00 0.36 C ATOM 2445 C TYR A 139 7.219 4.420 6.642 1.00 0.34 C ATOM 2446 O TYR A 139 6.824 5.377 7.318 1.00 0.39 O ATOM 2447 CB TYR A 139 9.566 5.244 6.357 1.00 0.42 C ATOM 2448 CG TYR A 139 10.848 5.184 5.552 1.00 0.44 C ATOM 2449 CD1 TYR A 139 11.154 6.162 4.614 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.751 4.142 5.731 1.00 0.50 C ATOM 2451 CE1 TYR A 139 12.321 6.104 3.878 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.922 4.080 4.999 1.00 0.56 C ATOM 2453 CZ TYR A 139 13.202 5.063 4.075 1.00 0.56 C ATOM 2454 OH TYR A 139 14.369 5.002 3.343 1.00 0.64 O ATOM 0 H TYR A 139 8.017 6.331 4.596 1.00 0.39 H new ATOM 0 HA TYR A 139 8.686 3.572 5.351 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.317 6.287 6.550 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.732 4.771 7.325 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.468 6.981 4.458 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.534 3.369 6.453 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.542 6.871 3.151 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.614 3.265 5.151 1.00 0.56 H new ATOM 0 HH TYR A 139 14.878 4.206 3.605 1.00 0.64 H new ATOM 2464 N TYR A 140 6.667 3.219 6.692 1.00 0.29 N ATOM 2465 CA TYR A 140 5.533 2.930 7.543 1.00 0.27 C ATOM 2466 C TYR A 140 5.965 2.215 8.817 1.00 0.29 C ATOM 2467 O TYR A 140 6.535 1.122 8.782 1.00 0.37 O ATOM 2468 CB TYR A 140 4.489 2.104 6.780 1.00 0.27 C ATOM 2469 CG TYR A 140 3.743 2.911 5.743 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.634 3.678 6.081 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.137 2.880 4.415 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.937 4.386 5.117 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.452 3.589 3.451 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.389 4.452 3.867 1.00 0.48 C ATOM 2475 OH TYR A 140 1.652 5.019 2.831 1.00 0.60 O ATOM 0 H TYR A 140 6.993 2.422 6.145 1.00 0.29 H new ATOM 0 HA TYR A 140 5.079 3.877 7.835 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.984 1.264 6.292 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.775 1.685 7.490 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.311 3.722 7.111 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.996 2.290 4.130 1.00 0.45 H new ATOM 0 HE1 TYR A 140 1.019 4.889 5.382 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.712 3.495 2.407 1.00 0.52 H new ATOM 0 HH TYR A 140 1.494 4.347 2.136 1.00 0.60 H new ATOM 2485 N LYS A 141 5.690 2.859 9.930 1.00 0.37 N ATOM 2486 CA LYS A 141 5.945 2.340 11.240 1.00 0.48 C ATOM 2487 C LYS A 141 4.654 1.701 11.724 1.00 0.45 C ATOM 2488 O LYS A 141 3.607 2.149 11.318 1.00 0.54 O ATOM 2489 CB LYS A 141 6.345 3.536 12.108 1.00 0.69 C ATOM 2490 CG LYS A 141 6.132 3.349 13.589 1.00 0.72 C ATOM 2491 CD LYS A 141 6.980 2.228 14.126 1.00 0.97 C ATOM 2492 CE LYS A 141 8.466 2.521 13.998 1.00 1.45 C ATOM 2493 NZ LYS A 141 8.843 3.815 14.628 1.00 1.92 N ATOM 0 H LYS A 141 5.269 3.788 9.940 1.00 0.37 H new ATOM 0 HA LYS A 141 6.737 1.592 11.270 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.398 3.757 11.933 1.00 0.69 H new ATOM 0 HB3 LYS A 141 5.778 4.408 11.782 1.00 0.69 H new ATOM 0 HG2 LYS A 141 6.374 4.274 14.113 1.00 0.72 H new ATOM 0 HG3 LYS A 141 5.081 3.138 13.784 1.00 0.72 H new ATOM 0 HD2 LYS A 141 6.734 2.058 15.174 1.00 0.97 H new ATOM 0 HD3 LYS A 141 6.745 1.308 13.590 1.00 0.97 H new ATOM 0 HE2 LYS A 141 9.034 1.715 14.462 1.00 1.45 H new ATOM 0 HE3 LYS A 141 8.741 2.539 12.943 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 9.872 3.843 14.775 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 8.561 4.599 14.006 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 8.360 3.909 15.544 1.00 1.92 H new ATOM 2507 N LYS A 142 4.709 0.643 12.528 1.00 0.44 N ATOM 2508 CA LYS A 142 3.482 0.049 13.090 1.00 0.43 C ATOM 2509 C LYS A 142 2.560 1.115 13.711 1.00 0.36 C ATOM 2510 O LYS A 142 2.958 2.262 13.891 1.00 0.34 O ATOM 2511 CB LYS A 142 3.832 -0.999 14.148 1.00 0.54 C ATOM 2512 CG LYS A 142 4.537 -2.225 13.589 1.00 0.87 C ATOM 2513 CD LYS A 142 4.754 -3.286 14.658 1.00 1.30 C ATOM 2514 CE LYS A 142 3.434 -3.850 15.163 1.00 1.43 C ATOM 2515 NZ LYS A 142 3.632 -4.878 16.217 1.00 2.13 N ATOM 0 H LYS A 142 5.573 0.179 12.807 1.00 0.44 H new ATOM 0 HA LYS A 142 2.948 -0.424 12.266 1.00 0.43 H new ATOM 0 HB2 LYS A 142 4.468 -0.539 14.905 1.00 0.54 H new ATOM 0 HB3 LYS A 142 2.917 -1.315 14.650 1.00 0.54 H new ATOM 0 HG2 LYS A 142 3.946 -2.645 12.775 1.00 0.87 H new ATOM 0 HG3 LYS A 142 5.498 -1.931 13.167 1.00 0.87 H new ATOM 0 HD2 LYS A 142 5.364 -4.093 14.252 1.00 1.30 H new ATOM 0 HD3 LYS A 142 5.309 -2.856 15.491 1.00 1.30 H new ATOM 0 HE2 LYS A 142 2.822 -3.040 15.558 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.885 -4.287 14.329 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 2.707 -5.235 16.532 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 4.194 -5.664 15.834 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 4.133 -4.455 17.024 1.00 2.13 H new ATOM 2529 N GLN A 143 1.296 0.779 13.949 1.00 0.44 N ATOM 2530 CA GLN A 143 0.482 1.601 14.837 1.00 0.53 C ATOM 2531 C GLN A 143 1.021 1.540 16.260 1.00 0.68 C ATOM 2532 O GLN A 143 1.559 2.562 16.739 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.980 1.167 14.813 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.767 1.744 13.650 1.00 0.63 C ATOM 2535 CD GLN A 143 -2.131 3.199 13.870 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -2.278 3.649 15.006 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -2.291 3.946 12.790 1.00 1.28 N ATOM 2538 OXT GLN A 143 0.925 0.466 16.885 1.00 1.19 O ATOM 0 H GLN A 143 0.823 -0.033 13.552 1.00 0.44 H new ATOM 0 HA GLN A 143 0.536 2.629 14.479 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -1.026 0.079 14.768 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.455 1.468 15.747 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -1.181 1.652 12.736 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.677 1.162 13.505 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -2.161 3.538 11.864 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -2.545 4.930 12.883 1.00 1.28 H new