USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1153 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 169:sc= 1.14 (180deg=0) USER MOD Set 2.2: A 58 MET CE :methyl 150:sc= -0.776 (180deg=-0.396) USER MOD Set 2.3: A 60 ASN : amide:sc= 0.658 K(o=-2.6,f=-17!) USER MOD Set 2.4: A 67 THR OG1 : rot -141:sc= -2.77! USER MOD Set 2.5: A 118 TYR OH : rot 107:sc= 0.751 USER MOD Set 2.6: A 127 MET CE :methyl 171:sc= -1.63 (180deg=-2.27) USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 143 GLN : amide:sc= -1.73 X(o=-1.7,f=-1.5!) USER MOD Set 4.1: A 22 TYR OH : rot -57:sc= -1.56! USER MOD Set 4.2: A 129 MET CE :methyl -109:sc= -1.81 (180deg=-7.04!) USER MOD Single : A 2 THR OG1 : rot 23:sc= 0.222 USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= -0.877 (180deg=-2.46!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= 0.765 (180deg=0.317) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0575 F(o=-0.8,f=-0.058) USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= 1.2 (180deg=0.71) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -155:sc= -0.799 (180deg=-1.84) USER MOD Single : A 34 GLN : amide:sc= -0.0949 X(o=-0.095,f=-0.095) USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0.0854!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0547 X(o=-0.055,f=-0.0033) USER MOD Single : A 50 SER OG : rot 138:sc= 1.22 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0563) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 154:sc= 0.575 USER MOD Single : A 63 THR OG1 : rot 150:sc= -1.28 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.395 F(o=-1.9,f=-0.4) USER MOD Single : A 69 HIS : +bothHN:sc= -1.49 K(o=-1.5,f=-9.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.882 K(o=0.88,f=-1.1) USER MOD Single : A 85 SER OG : rot 180:sc= -0.766 USER MOD Single : A 86 THR OG1 : rot -106:sc= 0.911 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0771 F(o=-1.6!,f=-0.077) USER MOD Single : A 88 HIS : no HE2:sc= -5.22! C(o=-5.2!,f=-9!) USER MOD Single : A 89 LYS NZ :NH3+ -149:sc= 1.26 (180deg=0.95) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= -0.0587 (180deg=-0.483) USER MOD Single : A 98 ASN : amide:sc= -0.0813 X(o=-0.081,f=-0.51) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0816 USER MOD Single : A 101 THR OG1 : rot -7:sc= 0.907 USER MOD Single : A 104 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.48) USER MOD Single : A 106 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.03) USER MOD Single : A 111 THR OG1 : rot -4:sc= 1.24 USER MOD Single : A 116 TYR OH : rot 110:sc= -0.116 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.71) USER MOD Single : A 130 SER OG : rot 38:sc= 0.00569 USER MOD Single : A 132 LYS NZ :NH3+ 170:sc=-0.00666 (180deg=-0.111) USER MOD Single : A 135 SER OG : rot 180:sc= 0.0584 USER MOD Single : A 136 THR OG1 : rot 41:sc= 1.3 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 20:sc= 0.799 USER MOD Single : A 140 TYR OH : rot 15:sc= 1.05 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 152:sc= 1.24 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 3.328 -17.413 -0.446 1.00 0.86 N ATOM 211 CA THR A 2 2.510 -17.054 0.703 1.00 0.81 C ATOM 212 C THR A 2 3.021 -15.756 1.324 1.00 0.66 C ATOM 213 O THR A 2 4.231 -15.527 1.375 1.00 0.64 O ATOM 214 CB THR A 2 2.533 -18.176 1.757 1.00 0.86 C ATOM 215 OG1 THR A 2 2.258 -19.435 1.126 1.00 0.99 O ATOM 216 CG2 THR A 2 1.503 -17.924 2.849 1.00 0.92 C ATOM 0 HA THR A 2 1.484 -16.913 0.363 1.00 0.81 H new ATOM 0 HB THR A 2 3.523 -18.195 2.213 1.00 0.86 H new ATOM 0 HG1 THR A 2 2.473 -19.377 0.172 1.00 0.99 H new ATOM 0 HG21 THR A 2 1.542 -18.732 3.579 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.721 -16.977 3.343 1.00 0.92 H new ATOM 0 HG23 THR A 2 0.507 -17.882 2.407 1.00 0.92 H new ATOM 224 N LEU A 3 2.097 -14.915 1.785 1.00 0.59 N ATOM 225 CA LEU A 3 2.445 -13.592 2.283 1.00 0.50 C ATOM 226 C LEU A 3 3.397 -13.686 3.467 1.00 0.49 C ATOM 227 O LEU A 3 3.051 -14.254 4.506 1.00 0.53 O ATOM 228 CB LEU A 3 1.189 -12.838 2.719 1.00 0.49 C ATOM 229 CG LEU A 3 1.041 -11.410 2.185 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.112 -10.616 3.071 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.376 -10.708 2.090 1.00 0.49 C ATOM 0 H LEU A 3 1.101 -15.130 1.823 1.00 0.59 H new ATOM 0 HA LEU A 3 2.935 -13.055 1.471 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.318 -13.413 2.406 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.172 -12.800 3.808 1.00 0.49 H new ATOM 0 HG LEU A 3 0.622 -11.477 1.181 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.015 -9.603 2.681 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.868 -11.093 3.091 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.517 -10.578 4.082 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.230 -9.698 1.707 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.832 -10.659 3.079 1.00 0.49 H new ATOM 0 HD23 LEU A 3 3.030 -11.260 1.415 1.00 0.49 H new ATOM 243 N PRO A 4 4.614 -13.144 3.312 1.00 0.50 N ATOM 244 CA PRO A 4 5.585 -13.049 4.399 1.00 0.54 C ATOM 245 C PRO A 4 5.013 -12.287 5.586 1.00 0.47 C ATOM 246 O PRO A 4 4.584 -11.137 5.455 1.00 0.42 O ATOM 247 CB PRO A 4 6.752 -12.273 3.779 1.00 0.60 C ATOM 248 CG PRO A 4 6.610 -12.478 2.313 1.00 0.61 C ATOM 249 CD PRO A 4 5.134 -12.588 2.056 1.00 0.52 C ATOM 0 HA PRO A 4 5.875 -14.027 4.782 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.704 -11.215 4.037 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.711 -12.646 4.139 1.00 0.60 H new ATOM 0 HG2 PRO A 4 7.043 -11.645 1.758 1.00 0.61 H new ATOM 0 HG3 PRO A 4 7.131 -13.380 1.992 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.691 -11.618 1.832 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.920 -13.239 1.209 1.00 0.52 H new ATOM 257 N ASP A 5 4.996 -12.948 6.739 1.00 0.51 N ATOM 258 CA ASP A 5 4.430 -12.389 7.966 1.00 0.51 C ATOM 259 C ASP A 5 5.059 -11.039 8.314 1.00 0.45 C ATOM 260 O ASP A 5 4.447 -10.217 8.998 1.00 0.44 O ATOM 261 CB ASP A 5 4.629 -13.378 9.119 1.00 0.63 C ATOM 262 CG ASP A 5 3.983 -12.926 10.415 1.00 1.50 C ATOM 263 OD1 ASP A 5 2.786 -13.229 10.630 1.00 2.09 O ATOM 264 OD2 ASP A 5 4.658 -12.245 11.218 1.00 2.19 O ATOM 0 H ASP A 5 5.375 -13.888 6.851 1.00 0.51 H new ATOM 0 HA ASP A 5 3.365 -12.222 7.804 1.00 0.51 H new ATOM 0 HB2 ASP A 5 4.217 -14.346 8.834 1.00 0.63 H new ATOM 0 HB3 ASP A 5 5.697 -13.523 9.284 1.00 0.63 H new ATOM 269 N LYS A 6 6.278 -10.808 7.832 1.00 0.45 N ATOM 270 CA LYS A 6 6.978 -9.548 8.061 1.00 0.45 C ATOM 271 C LYS A 6 6.228 -8.344 7.476 1.00 0.38 C ATOM 272 O LYS A 6 6.539 -7.202 7.802 1.00 0.42 O ATOM 273 CB LYS A 6 8.394 -9.608 7.476 1.00 0.56 C ATOM 274 CG LYS A 6 8.430 -9.765 5.963 1.00 1.10 C ATOM 275 CD LYS A 6 9.851 -9.705 5.409 1.00 1.64 C ATOM 276 CE LYS A 6 10.583 -11.040 5.507 1.00 2.01 C ATOM 277 NZ LYS A 6 10.878 -11.442 6.910 1.00 2.53 N ATOM 0 H LYS A 6 6.804 -11.483 7.277 1.00 0.45 H new ATOM 0 HA LYS A 6 7.031 -9.410 9.141 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.928 -8.698 7.750 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.929 -10.441 7.931 1.00 0.56 H new ATOM 0 HG2 LYS A 6 7.975 -10.716 5.688 1.00 1.10 H new ATOM 0 HG3 LYS A 6 7.830 -8.980 5.504 1.00 1.10 H new ATOM 0 HD2 LYS A 6 9.816 -9.391 4.366 1.00 1.64 H new ATOM 0 HD3 LYS A 6 10.415 -8.946 5.951 1.00 1.64 H new ATOM 0 HE2 LYS A 6 9.980 -11.814 5.033 1.00 2.01 H new ATOM 0 HE3 LYS A 6 11.517 -10.977 4.949 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 11.775 -11.968 6.939 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 10.955 -10.593 7.505 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 10.110 -12.046 7.267 1.00 2.53 H new ATOM 291 N PHE A 7 5.250 -8.586 6.608 1.00 0.36 N ATOM 292 CA PHE A 7 4.476 -7.496 6.024 1.00 0.35 C ATOM 293 C PHE A 7 3.173 -7.283 6.775 1.00 0.32 C ATOM 294 O PHE A 7 2.429 -6.352 6.478 1.00 0.35 O ATOM 295 CB PHE A 7 4.153 -7.772 4.551 1.00 0.39 C ATOM 296 CG PHE A 7 5.352 -7.877 3.659 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.421 -7.009 3.804 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.408 -8.841 2.666 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.520 -7.102 2.977 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.505 -8.936 1.837 1.00 0.54 C ATOM 301 CZ PHE A 7 7.561 -8.066 1.994 1.00 0.57 C ATOM 0 H PHE A 7 4.977 -9.518 6.296 1.00 0.36 H new ATOM 0 HA PHE A 7 5.090 -6.598 6.099 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.585 -8.700 4.485 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.508 -6.976 4.179 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.394 -6.251 4.573 1.00 0.52 H new ATOM 0 HD2 PHE A 7 4.583 -9.526 2.540 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.348 -6.420 3.100 1.00 0.60 H new ATOM 0 HE2 PHE A 7 6.536 -9.691 1.066 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.422 -8.140 1.346 1.00 0.57 H new ATOM 311 N LEU A 8 2.903 -8.125 7.761 1.00 0.30 N ATOM 312 CA LEU A 8 1.602 -8.134 8.405 1.00 0.29 C ATOM 313 C LEU A 8 1.572 -7.240 9.635 1.00 0.29 C ATOM 314 O LEU A 8 2.586 -7.050 10.315 1.00 0.33 O ATOM 315 CB LEU A 8 1.213 -9.563 8.774 1.00 0.34 C ATOM 316 CG LEU A 8 1.067 -10.508 7.582 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.775 -11.919 8.046 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.026 -10.017 6.648 1.00 0.35 C ATOM 0 H LEU A 8 3.565 -8.807 8.130 1.00 0.30 H new ATOM 0 HA LEU A 8 0.876 -7.734 7.697 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.965 -9.967 9.452 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.270 -9.540 9.321 1.00 0.34 H new ATOM 0 HG LEU A 8 2.011 -10.519 7.037 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.675 -12.573 7.180 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.592 -12.272 8.675 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.153 -11.929 8.617 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.118 -10.701 5.804 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.973 -9.976 7.186 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.227 -9.022 6.283 1.00 0.35 H new ATOM 330 N GLY A 9 0.399 -6.697 9.907 1.00 0.32 N ATOM 331 CA GLY A 9 0.215 -5.811 11.030 1.00 0.33 C ATOM 332 C GLY A 9 -0.439 -4.514 10.613 1.00 0.31 C ATOM 333 O GLY A 9 -0.611 -4.250 9.422 1.00 0.52 O ATOM 0 H GLY A 9 -0.444 -6.859 9.357 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.398 -6.302 11.785 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.180 -5.601 11.491 1.00 0.33 H new ATOM 337 N THR A 10 -0.831 -3.717 11.588 1.00 0.34 N ATOM 338 CA THR A 10 -1.384 -2.408 11.329 1.00 0.35 C ATOM 339 C THR A 10 -0.316 -1.351 11.577 1.00 0.32 C ATOM 340 O THR A 10 0.264 -1.297 12.656 1.00 0.40 O ATOM 341 CB THR A 10 -2.601 -2.150 12.230 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.567 -3.195 12.048 1.00 1.05 O ATOM 343 CG2 THR A 10 -3.235 -0.809 11.920 1.00 0.99 C ATOM 0 H THR A 10 -0.774 -3.960 12.577 1.00 0.34 H new ATOM 0 HA THR A 10 -1.710 -2.359 10.290 1.00 0.35 H new ATOM 0 HB THR A 10 -2.263 -2.137 13.266 1.00 0.38 H new ATOM 0 HG1 THR A 10 -4.341 -3.029 12.625 1.00 1.05 H new ATOM 0 HG21 THR A 10 -4.094 -0.653 12.573 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.506 -0.015 12.084 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.562 -0.793 10.880 1.00 0.99 H new ATOM 351 N PHE A 11 -0.043 -0.538 10.570 1.00 0.27 N ATOM 352 CA PHE A 11 1.043 0.429 10.639 1.00 0.27 C ATOM 353 C PHE A 11 0.523 1.860 10.572 1.00 0.28 C ATOM 354 O PHE A 11 -0.384 2.158 9.792 1.00 0.32 O ATOM 355 CB PHE A 11 2.016 0.201 9.475 1.00 0.31 C ATOM 356 CG PHE A 11 2.503 -1.214 9.342 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.476 -1.710 10.192 1.00 0.42 C ATOM 358 CD2 PHE A 11 1.990 -2.051 8.360 1.00 0.38 C ATOM 359 CE1 PHE A 11 3.926 -3.007 10.072 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.438 -3.351 8.235 1.00 0.43 C ATOM 361 CZ PHE A 11 3.406 -3.831 9.093 1.00 0.44 C ATOM 0 H PHE A 11 -0.560 -0.528 9.691 1.00 0.27 H new ATOM 0 HA PHE A 11 1.551 0.288 11.593 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.527 0.493 8.546 1.00 0.31 H new ATOM 0 HB3 PHE A 11 2.876 0.858 9.602 1.00 0.31 H new ATOM 0 HD1 PHE A 11 3.888 -1.072 10.960 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.232 -1.681 7.686 1.00 0.38 H new ATOM 0 HE1 PHE A 11 4.685 -3.379 10.744 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.031 -3.991 7.466 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.756 -4.848 8.999 1.00 0.44 H new ATOM 371 N LYS A 12 1.083 2.742 11.397 1.00 0.29 N ATOM 372 CA LYS A 12 0.888 4.169 11.198 1.00 0.33 C ATOM 373 C LYS A 12 1.911 4.682 10.177 1.00 0.27 C ATOM 374 O LYS A 12 2.594 3.894 9.519 1.00 0.69 O ATOM 375 CB LYS A 12 1.034 4.921 12.521 1.00 0.48 C ATOM 376 CG LYS A 12 2.435 4.893 13.094 1.00 0.78 C ATOM 377 CD LYS A 12 2.500 5.638 14.416 1.00 1.28 C ATOM 378 CE LYS A 12 2.236 7.129 14.249 1.00 1.72 C ATOM 379 NZ LYS A 12 3.325 7.820 13.506 1.00 2.19 N ATOM 0 H LYS A 12 1.666 2.495 12.197 1.00 0.29 H new ATOM 0 HA LYS A 12 -0.119 4.343 10.820 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.734 5.958 12.372 1.00 0.48 H new ATOM 0 HB3 LYS A 12 0.346 4.491 13.249 1.00 0.48 H new ATOM 0 HG2 LYS A 12 2.751 3.860 13.239 1.00 0.78 H new ATOM 0 HG3 LYS A 12 3.130 5.343 12.385 1.00 0.78 H new ATOM 0 HD2 LYS A 12 1.769 5.216 15.105 1.00 1.28 H new ATOM 0 HD3 LYS A 12 3.482 5.493 14.865 1.00 1.28 H new ATOM 0 HE2 LYS A 12 1.293 7.271 13.721 1.00 1.72 H new ATOM 0 HE3 LYS A 12 2.123 7.587 15.232 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 3.384 8.810 13.818 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 4.230 7.343 13.694 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 3.123 7.790 12.486 1.00 2.19 H new ATOM 393 N LEU A 13 2.063 5.995 10.093 1.00 0.60 N ATOM 394 CA LEU A 13 2.943 6.608 9.109 1.00 0.50 C ATOM 395 C LEU A 13 3.973 7.435 9.857 1.00 0.46 C ATOM 396 O LEU A 13 3.605 8.262 10.693 1.00 0.52 O ATOM 397 CB LEU A 13 2.123 7.489 8.143 1.00 0.52 C ATOM 398 CG LEU A 13 2.883 8.101 6.949 1.00 0.55 C ATOM 399 CD1 LEU A 13 1.902 8.549 5.877 1.00 1.14 C ATOM 400 CD2 LEU A 13 3.729 9.292 7.378 1.00 1.04 C ATOM 0 H LEU A 13 1.584 6.661 10.699 1.00 0.60 H new ATOM 0 HA LEU A 13 3.445 5.846 8.513 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.300 6.890 7.752 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.680 8.303 8.717 1.00 0.52 H new ATOM 0 HG LEU A 13 3.543 7.330 6.551 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.450 8.979 5.039 1.00 1.14 H new ATOM 0 HD12 LEU A 13 1.325 7.692 5.531 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.227 9.298 6.292 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.251 9.699 6.512 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.085 10.060 7.807 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.457 8.971 8.123 1.00 1.04 H new ATOM 412 N GLU A 14 5.254 7.187 9.614 1.00 0.45 N ATOM 413 CA GLU A 14 6.303 7.946 10.273 1.00 0.48 C ATOM 414 C GLU A 14 6.726 9.138 9.419 1.00 0.45 C ATOM 415 O GLU A 14 6.645 10.286 9.857 1.00 0.49 O ATOM 416 CB GLU A 14 7.506 7.038 10.551 1.00 0.55 C ATOM 417 CG GLU A 14 8.602 7.703 11.370 1.00 0.67 C ATOM 418 CD GLU A 14 8.117 8.144 12.734 1.00 1.17 C ATOM 419 OE1 GLU A 14 7.652 9.290 12.860 1.00 2.08 O ATOM 420 OE2 GLU A 14 8.188 7.340 13.687 1.00 1.56 O ATOM 0 H GLU A 14 5.588 6.470 8.969 1.00 0.45 H new ATOM 0 HA GLU A 14 5.916 8.326 11.219 1.00 0.48 H new ATOM 0 HB2 GLU A 14 7.163 6.147 11.077 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.926 6.706 9.601 1.00 0.55 H new ATOM 0 HG2 GLU A 14 9.434 7.009 11.490 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.984 8.567 10.827 1.00 0.67 H new ATOM 427 N ARG A 15 7.160 8.865 8.193 1.00 0.42 N ATOM 428 CA ARG A 15 7.665 9.912 7.312 1.00 0.44 C ATOM 429 C ARG A 15 7.551 9.496 5.848 1.00 0.37 C ATOM 430 O ARG A 15 7.109 8.387 5.535 1.00 0.38 O ATOM 431 CB ARG A 15 9.130 10.202 7.636 1.00 0.51 C ATOM 432 CG ARG A 15 10.043 9.029 7.333 1.00 0.53 C ATOM 433 CD ARG A 15 11.494 9.355 7.627 1.00 0.77 C ATOM 434 NE ARG A 15 12.361 8.191 7.449 1.00 1.68 N ATOM 435 CZ ARG A 15 13.629 8.253 7.044 1.00 2.34 C ATOM 436 NH1 ARG A 15 14.189 9.425 6.772 1.00 2.45 N ATOM 437 NH2 ARG A 15 14.342 7.139 6.924 1.00 3.36 N ATOM 0 H ARG A 15 7.172 7.929 7.787 1.00 0.42 H new ATOM 0 HA ARG A 15 7.064 10.807 7.472 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.459 11.070 7.064 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.219 10.463 8.691 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.737 8.167 7.926 1.00 0.53 H new ATOM 0 HG3 ARG A 15 9.939 8.748 6.285 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.826 10.159 6.970 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.584 9.722 8.650 1.00 0.77 H new ATOM 0 HE ARG A 15 11.969 7.271 7.648 1.00 1.68 H new ATOM 0 HH11 ARG A 15 13.648 10.284 6.873 1.00 2.45 H new ATOM 0 HH12 ARG A 15 15.160 9.467 6.462 1.00 2.45 H new ATOM 0 HH21 ARG A 15 13.919 6.237 7.142 1.00 3.36 H new ATOM 0 HH22 ARG A 15 15.313 7.186 6.614 1.00 3.36 H new ATOM 451 N ASP A 16 7.973 10.387 4.962 1.00 0.38 N ATOM 452 CA ASP A 16 7.956 10.129 3.531 1.00 0.43 C ATOM 453 C ASP A 16 9.239 10.645 2.892 1.00 0.39 C ATOM 454 O ASP A 16 10.039 11.310 3.552 1.00 0.52 O ATOM 455 CB ASP A 16 6.739 10.792 2.879 1.00 0.66 C ATOM 456 CG ASP A 16 6.818 12.310 2.881 1.00 0.68 C ATOM 457 OD1 ASP A 16 6.455 12.931 3.904 1.00 1.19 O ATOM 458 OD2 ASP A 16 7.242 12.891 1.857 1.00 0.72 O ATOM 0 H ASP A 16 8.336 11.306 5.215 1.00 0.38 H new ATOM 0 HA ASP A 16 7.889 9.053 3.373 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.647 10.440 1.852 1.00 0.66 H new ATOM 0 HB3 ASP A 16 5.837 10.480 3.405 1.00 0.66 H new ATOM 463 N GLU A 17 9.430 10.337 1.617 1.00 0.36 N ATOM 464 CA GLU A 17 10.644 10.727 0.913 1.00 0.38 C ATOM 465 C GLU A 17 10.388 10.859 -0.586 1.00 0.40 C ATOM 466 O GLU A 17 9.998 9.888 -1.237 1.00 0.83 O ATOM 467 CB GLU A 17 11.741 9.689 1.164 1.00 0.48 C ATOM 468 CG GLU A 17 13.096 10.079 0.601 1.00 1.18 C ATOM 469 CD GLU A 17 14.126 8.982 0.755 1.00 1.83 C ATOM 470 OE1 GLU A 17 14.692 8.547 -0.271 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.377 8.547 1.900 1.00 2.13 O ATOM 0 H GLU A 17 8.760 9.818 1.049 1.00 0.36 H new ATOM 0 HA GLU A 17 10.965 11.697 1.291 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.837 9.528 2.238 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.436 8.739 0.726 1.00 0.48 H new ATOM 0 HG2 GLU A 17 12.989 10.327 -0.455 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.450 10.978 1.105 1.00 1.18 H new ATOM 478 N ASN A 18 10.590 12.067 -1.117 1.00 0.34 N ATOM 479 CA ASN A 18 10.492 12.328 -2.562 1.00 0.30 C ATOM 480 C ASN A 18 9.068 12.072 -3.065 1.00 0.28 C ATOM 481 O ASN A 18 8.842 11.725 -4.229 1.00 0.27 O ATOM 482 CB ASN A 18 11.506 11.455 -3.320 1.00 0.32 C ATOM 483 CG ASN A 18 11.866 12.003 -4.690 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.235 11.480 -5.727 1.00 0.76 O flip ATOM 485 ND2 ASN A 18 12.733 12.869 -4.815 1.00 0.66 N flip ATOM 0 H ASN A 18 10.825 12.891 -0.564 1.00 0.34 H new ATOM 0 HA ASN A 18 10.726 13.376 -2.747 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.414 11.363 -2.723 1.00 0.32 H new ATOM 0 HB3 ASN A 18 11.097 10.451 -3.434 1.00 0.32 H new ATOM 0 HD21 ASN A 18 13.198 13.248 -3.990 1.00 0.66 H new ATOM 0 HD22 ASN A 18 12.986 13.207 -5.744 1.00 0.66 H new ATOM 492 N PHE A 19 8.106 12.270 -2.176 1.00 0.30 N ATOM 493 CA PHE A 19 6.719 11.986 -2.505 1.00 0.31 C ATOM 494 C PHE A 19 6.113 13.135 -3.299 1.00 0.31 C ATOM 495 O PHE A 19 5.271 12.913 -4.168 1.00 0.32 O ATOM 496 CB PHE A 19 5.887 11.689 -1.254 1.00 0.37 C ATOM 497 CG PHE A 19 4.558 11.047 -1.566 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.445 10.133 -2.604 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.430 11.347 -0.820 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.236 9.533 -2.893 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.214 10.747 -1.106 1.00 0.48 C ATOM 502 CZ PHE A 19 2.119 9.839 -2.145 1.00 0.44 C ATOM 0 H PHE A 19 8.258 12.623 -1.231 1.00 0.30 H new ATOM 0 HA PHE A 19 6.704 11.089 -3.124 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.455 11.033 -0.595 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.716 12.618 -0.710 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.316 9.888 -3.194 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.499 12.055 -0.008 1.00 0.45 H new ATOM 0 HE1 PHE A 19 3.165 8.824 -3.705 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.341 10.988 -0.518 1.00 0.48 H new ATOM 0 HZ PHE A 19 1.172 9.371 -2.370 1.00 0.44 H new ATOM 512 N ASP A 20 6.541 14.359 -2.999 1.00 0.33 N ATOM 513 CA ASP A 20 6.158 15.519 -3.799 1.00 0.37 C ATOM 514 C ASP A 20 6.475 15.265 -5.259 1.00 0.33 C ATOM 515 O ASP A 20 5.589 15.306 -6.113 1.00 0.33 O ATOM 516 CB ASP A 20 6.899 16.778 -3.338 1.00 0.46 C ATOM 517 CG ASP A 20 6.355 17.347 -2.048 1.00 1.08 C ATOM 518 OD1 ASP A 20 5.630 18.361 -2.096 1.00 1.22 O ATOM 519 OD2 ASP A 20 6.635 16.770 -0.973 1.00 2.04 O ATOM 0 H ASP A 20 7.151 14.573 -2.210 1.00 0.33 H new ATOM 0 HA ASP A 20 5.087 15.676 -3.670 1.00 0.37 H new ATOM 0 HB2 ASP A 20 7.955 16.543 -3.208 1.00 0.46 H new ATOM 0 HB3 ASP A 20 6.835 17.536 -4.118 1.00 0.46 H new ATOM 524 N GLU A 21 7.747 14.985 -5.524 1.00 0.34 N ATOM 525 CA GLU A 21 8.228 14.692 -6.865 1.00 0.35 C ATOM 526 C GLU A 21 7.392 13.616 -7.533 1.00 0.31 C ATOM 527 O GLU A 21 7.024 13.747 -8.700 1.00 0.34 O ATOM 528 CB GLU A 21 9.688 14.263 -6.819 1.00 0.41 C ATOM 529 CG GLU A 21 10.647 15.407 -6.555 1.00 0.51 C ATOM 530 CD GLU A 21 10.378 16.128 -5.251 1.00 1.14 C ATOM 531 OE1 GLU A 21 10.381 15.466 -4.192 1.00 1.65 O ATOM 532 OE2 GLU A 21 10.183 17.358 -5.274 1.00 1.79 O ATOM 0 H GLU A 21 8.475 14.955 -4.810 1.00 0.34 H new ATOM 0 HA GLU A 21 8.139 15.603 -7.456 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.812 13.509 -6.042 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.950 13.791 -7.766 1.00 0.41 H new ATOM 0 HG2 GLU A 21 11.667 15.022 -6.545 1.00 0.51 H new ATOM 0 HG3 GLU A 21 10.584 16.121 -7.376 1.00 0.51 H new ATOM 539 N TYR A 22 7.089 12.557 -6.791 1.00 0.29 N ATOM 540 CA TYR A 22 6.241 11.501 -7.311 1.00 0.28 C ATOM 541 C TYR A 22 4.869 12.044 -7.710 1.00 0.30 C ATOM 542 O TYR A 22 4.348 11.714 -8.776 1.00 0.33 O ATOM 543 CB TYR A 22 6.073 10.380 -6.289 1.00 0.30 C ATOM 544 CG TYR A 22 5.080 9.341 -6.740 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.761 9.389 -6.321 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.475 8.292 -7.560 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.862 8.420 -6.704 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.581 7.323 -7.950 1.00 0.44 C ATOM 549 CZ TYR A 22 3.237 7.474 -7.619 1.00 0.50 C ATOM 550 OH TYR A 22 2.389 6.421 -7.898 1.00 0.57 O ATOM 0 H TYR A 22 7.417 12.411 -5.836 1.00 0.29 H new ATOM 0 HA TYR A 22 6.730 11.098 -8.198 1.00 0.28 H new ATOM 0 HB2 TYR A 22 7.038 9.905 -6.112 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.747 10.803 -5.339 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.433 10.198 -5.685 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.500 8.237 -7.896 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.867 8.406 -6.285 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.916 6.459 -8.504 1.00 0.44 H new ATOM 0 HH TYR A 22 2.187 5.936 -7.071 1.00 0.57 H new ATOM 560 N LEU A 23 4.287 12.881 -6.857 1.00 0.28 N ATOM 561 CA LEU A 23 2.957 13.416 -7.112 1.00 0.30 C ATOM 562 C LEU A 23 2.990 14.341 -8.326 1.00 0.34 C ATOM 563 O LEU A 23 2.045 14.386 -9.114 1.00 0.37 O ATOM 564 CB LEU A 23 2.435 14.168 -5.886 1.00 0.30 C ATOM 565 CG LEU A 23 2.226 13.307 -4.641 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.770 14.161 -3.473 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.217 12.204 -4.917 1.00 0.32 C ATOM 0 H LEU A 23 4.714 13.201 -5.988 1.00 0.28 H new ATOM 0 HA LEU A 23 2.282 12.586 -7.318 1.00 0.30 H new ATOM 0 HB2 LEU A 23 3.135 14.967 -5.643 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.488 14.642 -6.145 1.00 0.30 H new ATOM 0 HG LEU A 23 3.179 12.846 -4.380 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.626 13.531 -2.596 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.526 14.916 -3.257 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.830 14.651 -3.726 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.082 11.602 -4.019 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.263 12.647 -5.204 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.582 11.572 -5.726 1.00 0.32 H new ATOM 579 N LYS A 24 4.097 15.068 -8.470 1.00 0.34 N ATOM 580 CA LYS A 24 4.318 15.929 -9.627 1.00 0.39 C ATOM 581 C LYS A 24 4.335 15.091 -10.902 1.00 0.40 C ATOM 582 O LYS A 24 3.615 15.376 -11.857 1.00 0.44 O ATOM 583 CB LYS A 24 5.651 16.676 -9.493 1.00 0.41 C ATOM 584 CG LYS A 24 5.760 17.535 -8.244 1.00 0.45 C ATOM 585 CD LYS A 24 7.148 18.145 -8.099 1.00 0.55 C ATOM 586 CE LYS A 24 7.288 18.913 -6.792 1.00 1.35 C ATOM 587 NZ LYS A 24 8.683 19.376 -6.559 1.00 1.88 N ATOM 0 H LYS A 24 4.860 15.076 -7.793 1.00 0.34 H new ATOM 0 HA LYS A 24 3.507 16.655 -9.677 1.00 0.39 H new ATOM 0 HB2 LYS A 24 6.464 15.949 -9.493 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.790 17.309 -10.369 1.00 0.41 H new ATOM 0 HG2 LYS A 24 5.015 18.330 -8.283 1.00 0.45 H new ATOM 0 HG3 LYS A 24 5.535 16.930 -7.366 1.00 0.45 H new ATOM 0 HD2 LYS A 24 7.899 17.356 -8.141 1.00 0.55 H new ATOM 0 HD3 LYS A 24 7.342 18.814 -8.937 1.00 0.55 H new ATOM 0 HE2 LYS A 24 6.619 19.773 -6.805 1.00 1.35 H new ATOM 0 HE3 LYS A 24 6.975 18.277 -5.964 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 8.667 20.283 -6.051 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 9.193 18.670 -5.991 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 9.165 19.499 -7.472 1.00 1.88 H new ATOM 601 N ALA A 25 5.170 14.058 -10.888 1.00 0.40 N ATOM 602 CA ALA A 25 5.279 13.120 -12.003 1.00 0.43 C ATOM 603 C ALA A 25 3.928 12.495 -12.332 1.00 0.43 C ATOM 604 O ALA A 25 3.603 12.267 -13.496 1.00 0.44 O ATOM 605 CB ALA A 25 6.295 12.038 -11.682 1.00 0.43 C ATOM 0 H ALA A 25 5.790 13.846 -10.106 1.00 0.40 H new ATOM 0 HA ALA A 25 5.616 13.675 -12.879 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.367 11.346 -12.521 1.00 0.43 H new ATOM 0 HB2 ALA A 25 7.269 12.494 -11.504 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.980 11.496 -10.790 1.00 0.43 H new ATOM 611 N ARG A 26 3.144 12.234 -11.292 1.00 0.43 N ATOM 612 CA ARG A 26 1.818 11.643 -11.446 1.00 0.45 C ATOM 613 C ARG A 26 0.858 12.598 -12.146 1.00 0.47 C ATOM 614 O ARG A 26 -0.174 12.180 -12.669 1.00 0.51 O ATOM 615 CB ARG A 26 1.249 11.251 -10.084 1.00 0.48 C ATOM 616 CG ARG A 26 1.581 9.832 -9.652 1.00 0.85 C ATOM 617 CD ARG A 26 0.932 8.802 -10.567 1.00 0.72 C ATOM 618 NE ARG A 26 -0.486 9.086 -10.790 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.289 8.353 -11.559 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.847 7.233 -12.121 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.544 8.740 -11.751 1.00 1.06 N ATOM 0 H ARG A 26 3.406 12.424 -10.325 1.00 0.43 H new ATOM 0 HA ARG A 26 1.926 10.752 -12.065 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.626 11.945 -9.333 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.165 11.366 -10.109 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.662 9.693 -9.656 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.243 9.674 -8.628 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.454 8.787 -11.524 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.039 7.809 -10.130 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.887 9.901 -10.325 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.114 6.929 -11.965 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -1.469 6.677 -12.709 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.887 9.594 -11.311 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -3.165 8.184 -12.339 1.00 1.06 H new ATOM 635 N GLY A 27 1.201 13.876 -12.157 1.00 0.46 N ATOM 636 CA GLY A 27 0.360 14.856 -12.809 1.00 0.49 C ATOM 637 C GLY A 27 -0.392 15.738 -11.835 1.00 0.50 C ATOM 638 O GLY A 27 -1.123 16.634 -12.249 1.00 0.62 O ATOM 0 H GLY A 27 2.046 14.252 -11.727 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.976 15.482 -13.455 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.355 14.342 -13.451 1.00 0.49 H new ATOM 642 N TYR A 28 -0.216 15.496 -10.542 1.00 0.48 N ATOM 643 CA TYR A 28 -0.887 16.301 -9.529 1.00 0.53 C ATOM 644 C TYR A 28 -0.293 17.707 -9.508 1.00 0.56 C ATOM 645 O TYR A 28 0.867 17.907 -9.133 1.00 0.54 O ATOM 646 CB TYR A 28 -0.777 15.646 -8.148 1.00 0.51 C ATOM 647 CG TYR A 28 -1.451 14.291 -8.061 1.00 0.53 C ATOM 648 CD1 TYR A 28 -0.707 13.129 -7.899 1.00 0.52 C ATOM 649 CD2 TYR A 28 -2.831 14.177 -8.136 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.320 11.895 -7.814 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.453 12.944 -8.055 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.684 11.803 -7.908 1.00 0.60 C ATOM 653 OH TYR A 28 -3.305 10.583 -7.800 1.00 0.64 O ATOM 0 H TYR A 28 0.380 14.756 -10.172 1.00 0.48 H new ATOM 0 HA TYR A 28 -1.945 16.368 -9.782 1.00 0.53 H new ATOM 0 HB2 TYR A 28 0.276 15.535 -7.891 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.218 16.310 -7.405 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.369 13.192 -7.839 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.431 15.067 -8.260 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -0.726 11.004 -7.674 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.529 12.873 -8.106 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.274 10.700 -7.889 1.00 0.64 H new ATOM 663 N GLY A 29 -1.119 18.665 -9.928 1.00 0.68 N ATOM 664 CA GLY A 29 -0.681 20.034 -10.122 1.00 0.80 C ATOM 665 C GLY A 29 -0.206 20.710 -8.855 1.00 0.88 C ATOM 666 O GLY A 29 0.910 21.218 -8.812 1.00 1.54 O ATOM 0 H GLY A 29 -2.104 18.508 -10.141 1.00 0.68 H new ATOM 0 HA2 GLY A 29 0.127 20.047 -10.854 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -1.503 20.612 -10.544 1.00 0.80 H new ATOM 670 N TRP A 30 -1.048 20.740 -7.831 1.00 0.54 N ATOM 671 CA TRP A 30 -0.676 21.387 -6.579 1.00 0.56 C ATOM 672 C TRP A 30 -1.648 21.029 -5.458 1.00 0.54 C ATOM 673 O TRP A 30 -1.239 20.488 -4.431 1.00 0.52 O ATOM 674 CB TRP A 30 -0.618 22.909 -6.768 1.00 0.65 C ATOM 675 CG TRP A 30 -0.235 23.649 -5.525 1.00 0.75 C ATOM 676 CD1 TRP A 30 1.025 23.854 -5.045 1.00 0.84 C ATOM 677 CD2 TRP A 30 -1.125 24.282 -4.606 1.00 0.86 C ATOM 678 NE1 TRP A 30 0.968 24.574 -3.876 1.00 0.98 N ATOM 679 CE2 TRP A 30 -0.342 24.850 -3.588 1.00 0.99 C ATOM 680 CE3 TRP A 30 -2.510 24.422 -4.547 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -0.903 25.548 -2.522 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -3.066 25.112 -3.492 1.00 1.07 C ATOM 683 CH2 TRP A 30 -2.265 25.668 -2.493 1.00 1.18 C ATOM 0 H TRP A 30 -1.982 20.330 -7.840 1.00 0.54 H new ATOM 0 HA TRP A 30 0.311 21.025 -6.293 1.00 0.56 H new ATOM 0 HB2 TRP A 30 0.098 23.143 -7.556 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -1.592 23.263 -7.107 1.00 0.65 H new ATOM 0 HD1 TRP A 30 1.932 23.503 -5.514 1.00 0.84 H new ATOM 0 HE1 TRP A 30 1.771 24.857 -3.314 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -3.138 23.996 -5.316 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -0.286 25.978 -1.747 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -4.139 25.225 -3.437 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -2.731 26.204 -1.680 1.00 1.18 H new ATOM 694 N ILE A 31 -2.929 21.333 -5.665 1.00 0.60 N ATOM 695 CA ILE A 31 -3.964 21.087 -4.662 1.00 0.63 C ATOM 696 C ILE A 31 -3.935 19.651 -4.157 1.00 0.53 C ATOM 697 O ILE A 31 -3.915 19.407 -2.952 1.00 0.51 O ATOM 698 CB ILE A 31 -5.369 21.424 -5.222 1.00 0.76 C ATOM 699 CG1 ILE A 31 -5.747 22.855 -4.849 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.431 20.449 -4.720 1.00 0.69 C ATOM 701 CD1 ILE A 31 -5.896 23.055 -3.361 1.00 2.16 C ATOM 0 H ILE A 31 -3.277 21.754 -6.527 1.00 0.60 H new ATOM 0 HA ILE A 31 -3.752 21.744 -3.818 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.326 21.330 -6.307 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -4.985 23.537 -5.227 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -6.683 23.118 -5.341 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.401 20.721 -5.136 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.173 19.437 -5.033 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -6.479 20.491 -3.632 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -6.165 24.092 -3.158 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -6.677 22.396 -2.982 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -4.953 22.822 -2.866 1.00 2.16 H new ATOM 713 N MET A 32 -3.930 18.710 -5.082 1.00 0.48 N ATOM 714 CA MET A 32 -3.876 17.306 -4.724 1.00 0.43 C ATOM 715 C MET A 32 -2.634 16.985 -3.916 1.00 0.38 C ATOM 716 O MET A 32 -2.689 16.189 -2.989 1.00 0.39 O ATOM 717 CB MET A 32 -3.936 16.415 -5.959 1.00 0.48 C ATOM 718 CG MET A 32 -5.298 16.398 -6.628 1.00 0.55 C ATOM 719 SD MET A 32 -6.647 16.149 -5.457 1.00 0.97 S ATOM 720 CE MET A 32 -6.020 14.761 -4.524 1.00 0.48 C ATOM 0 H MET A 32 -3.963 18.892 -6.085 1.00 0.48 H new ATOM 0 HA MET A 32 -4.751 17.103 -4.106 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.191 16.754 -6.679 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.666 15.397 -5.677 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.450 17.339 -7.156 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.321 15.605 -7.376 1.00 0.55 H new ATOM 0 HE1 MET A 32 -6.853 14.209 -4.088 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.456 14.103 -5.185 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.368 15.122 -3.729 1.00 0.48 H new ATOM 730 N ARG A 33 -1.520 17.625 -4.247 1.00 0.39 N ATOM 731 CA ARG A 33 -0.277 17.383 -3.528 1.00 0.41 C ATOM 732 C ARG A 33 -0.388 17.905 -2.102 1.00 0.45 C ATOM 733 O ARG A 33 0.295 17.430 -1.200 1.00 0.60 O ATOM 734 CB ARG A 33 0.914 18.034 -4.239 1.00 0.49 C ATOM 735 CG ARG A 33 1.012 17.667 -5.709 1.00 0.90 C ATOM 736 CD ARG A 33 2.409 17.899 -6.265 1.00 0.71 C ATOM 737 NE ARG A 33 2.897 19.255 -6.025 1.00 0.77 N ATOM 738 CZ ARG A 33 3.357 20.062 -6.981 1.00 0.99 C ATOM 739 NH1 ARG A 33 3.282 19.702 -8.257 1.00 1.87 N ATOM 740 NH2 ARG A 33 3.874 21.238 -6.662 1.00 1.03 N ATOM 0 H ARG A 33 -1.452 18.309 -5.001 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.105 16.307 -3.504 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.835 19.117 -4.147 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.834 17.738 -3.736 1.00 0.49 H new ATOM 0 HG2 ARG A 33 0.740 16.620 -5.840 1.00 0.90 H new ATOM 0 HG3 ARG A 33 0.293 18.257 -6.278 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.098 17.185 -5.814 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.405 17.704 -7.337 1.00 0.71 H new ATOM 0 HE ARG A 33 2.885 19.606 -5.067 1.00 0.77 H new ATOM 0 HH11 ARG A 33 2.871 18.804 -8.510 1.00 1.87 H new ATOM 0 HH12 ARG A 33 3.636 20.324 -8.984 1.00 1.87 H new ATOM 0 HH21 ARG A 33 3.920 21.527 -5.685 1.00 1.03 H new ATOM 0 HH22 ARG A 33 4.226 21.856 -7.393 1.00 1.03 H new ATOM 754 N GLN A 34 -1.273 18.874 -1.907 1.00 0.41 N ATOM 755 CA GLN A 34 -1.523 19.426 -0.585 1.00 0.46 C ATOM 756 C GLN A 34 -2.397 18.477 0.225 1.00 0.47 C ATOM 757 O GLN A 34 -2.296 18.415 1.446 1.00 0.58 O ATOM 758 CB GLN A 34 -2.209 20.790 -0.688 1.00 0.51 C ATOM 759 CG GLN A 34 -1.429 21.823 -1.488 1.00 0.80 C ATOM 760 CD GLN A 34 -0.030 22.050 -0.953 1.00 1.39 C ATOM 761 OE1 GLN A 34 0.183 22.882 -0.073 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.937 21.330 -1.498 1.00 1.97 N ATOM 0 H GLN A 34 -1.830 19.294 -2.651 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.564 19.551 -0.083 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.189 20.657 -1.146 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -2.376 21.177 0.317 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.367 21.499 -2.527 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -1.973 22.767 -1.480 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.718 20.650 -2.226 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.901 21.455 -1.190 1.00 1.97 H new ATOM 771 N VAL A 35 -3.268 17.746 -0.458 1.00 0.42 N ATOM 772 CA VAL A 35 -4.171 16.811 0.195 1.00 0.42 C ATOM 773 C VAL A 35 -3.491 15.464 0.441 1.00 0.40 C ATOM 774 O VAL A 35 -3.333 15.037 1.585 1.00 0.44 O ATOM 775 CB VAL A 35 -5.428 16.593 -0.676 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.359 15.562 -0.062 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.158 17.910 -0.895 1.00 0.65 C ATOM 0 H VAL A 35 -3.367 17.784 -1.472 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.455 17.239 1.156 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.101 16.209 -1.642 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.233 15.434 -0.701 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.836 14.610 0.033 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.677 15.901 0.924 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.041 17.739 -1.511 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.461 18.322 0.067 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.496 18.614 -1.399 1.00 0.65 H new ATOM 787 N ILE A 36 -3.122 14.805 -0.655 1.00 0.38 N ATOM 788 CA ILE A 36 -2.449 13.501 -0.648 1.00 0.39 C ATOM 789 C ILE A 36 -1.363 13.373 0.433 1.00 0.46 C ATOM 790 O ILE A 36 -1.316 12.377 1.152 1.00 0.51 O ATOM 791 CB ILE A 36 -1.847 13.235 -2.035 1.00 0.42 C ATOM 792 CG1 ILE A 36 -2.978 13.218 -3.070 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.105 11.916 -2.036 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.515 13.202 -4.507 1.00 0.51 C ATOM 0 H ILE A 36 -3.284 15.167 -1.595 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.205 12.754 -0.406 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.137 14.023 -2.288 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.601 12.342 -2.893 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.608 14.094 -2.915 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.682 11.737 -3.025 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.303 11.949 -1.299 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -1.795 11.110 -1.785 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.381 13.191 -5.168 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -1.918 14.092 -4.707 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -1.911 12.312 -4.685 1.00 0.51 H new ATOM 806 N LYS A 37 -0.504 14.384 0.567 1.00 0.52 N ATOM 807 CA LYS A 37 0.606 14.312 1.523 1.00 0.67 C ATOM 808 C LYS A 37 0.137 14.486 2.964 1.00 0.66 C ATOM 809 O LYS A 37 0.784 14.005 3.896 1.00 0.79 O ATOM 810 CB LYS A 37 1.658 15.377 1.231 1.00 0.91 C ATOM 811 CG LYS A 37 2.355 15.228 -0.108 1.00 0.75 C ATOM 812 CD LYS A 37 3.565 16.143 -0.189 1.00 0.94 C ATOM 813 CE LYS A 37 3.201 17.590 0.115 1.00 0.70 C ATOM 814 NZ LYS A 37 4.402 18.452 0.238 1.00 0.97 N ATOM 0 H LYS A 37 -0.552 15.253 0.034 1.00 0.52 H new ATOM 0 HA LYS A 37 1.038 13.318 1.406 1.00 0.67 H new ATOM 0 HB2 LYS A 37 1.184 16.358 1.271 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.409 15.353 2.021 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.666 14.193 -0.248 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.660 15.464 -0.914 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.325 15.804 0.515 1.00 0.94 H new ATOM 0 HD3 LYS A 37 4.002 16.080 -1.185 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.558 17.976 -0.676 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.628 17.633 1.041 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 4.161 19.308 0.778 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 5.154 17.931 0.733 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.734 18.722 -0.710 1.00 0.97 H new ATOM 828 N LEU A 38 -0.981 15.169 3.147 1.00 0.63 N ATOM 829 CA LEU A 38 -1.459 15.503 4.484 1.00 0.70 C ATOM 830 C LEU A 38 -2.467 14.476 4.967 1.00 0.65 C ATOM 831 O LEU A 38 -3.104 14.648 6.007 1.00 0.91 O ATOM 832 CB LEU A 38 -2.079 16.906 4.517 1.00 0.82 C ATOM 833 CG LEU A 38 -1.091 18.072 4.674 1.00 1.08 C ATOM 834 CD1 LEU A 38 -0.333 17.958 5.988 1.00 2.08 C ATOM 835 CD2 LEU A 38 -0.119 18.132 3.505 1.00 1.61 C ATOM 0 H LEU A 38 -1.576 15.504 2.389 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.599 15.493 5.154 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -2.643 17.055 3.596 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.794 16.947 5.339 1.00 0.82 H new ATOM 0 HG LEU A 38 -1.667 18.998 4.682 1.00 1.08 H new ATOM 0 HD11 LEU A 38 0.362 18.793 6.081 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -1.039 17.979 6.818 1.00 2.08 H new ATOM 0 HD13 LEU A 38 0.222 17.020 6.008 1.00 2.08 H new ATOM 0 HD21 LEU A 38 0.567 18.967 3.645 1.00 1.61 H new ATOM 0 HD22 LEU A 38 0.447 17.202 3.454 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -0.674 18.270 2.577 1.00 1.61 H new ATOM 847 N ALA A 39 -2.610 13.410 4.203 1.00 0.52 N ATOM 848 CA ALA A 39 -3.487 12.325 4.574 1.00 0.53 C ATOM 849 C ALA A 39 -2.761 11.357 5.490 1.00 0.60 C ATOM 850 O ALA A 39 -1.747 10.771 5.112 1.00 1.03 O ATOM 851 CB ALA A 39 -3.998 11.607 3.334 1.00 0.55 C ATOM 0 H ALA A 39 -2.125 13.275 3.316 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.344 12.734 5.109 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.658 10.792 3.631 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.548 12.309 2.708 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.154 11.205 2.773 1.00 0.55 H new ATOM 857 N GLY A 40 -3.256 11.228 6.710 1.00 0.43 N ATOM 858 CA GLY A 40 -2.729 10.237 7.620 1.00 0.46 C ATOM 859 C GLY A 40 -3.068 8.846 7.146 1.00 0.46 C ATOM 860 O GLY A 40 -4.241 8.501 7.019 1.00 0.84 O ATOM 0 H GLY A 40 -4.016 11.794 7.087 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.647 10.347 7.699 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -3.139 10.397 8.617 1.00 0.46 H new ATOM 864 N VAL A 41 -2.054 8.046 6.881 1.00 0.44 N ATOM 865 CA VAL A 41 -2.261 6.743 6.273 1.00 0.45 C ATOM 866 C VAL A 41 -1.995 5.626 7.269 1.00 0.36 C ATOM 867 O VAL A 41 -0.900 5.516 7.822 1.00 0.41 O ATOM 868 CB VAL A 41 -1.370 6.541 5.028 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.646 5.192 4.377 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.573 7.668 4.026 1.00 1.30 C ATOM 0 H VAL A 41 -1.079 8.273 7.076 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.305 6.706 5.961 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.330 6.558 5.354 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.007 5.073 3.502 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.438 4.394 5.090 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.691 5.142 4.072 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.934 7.503 3.158 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.616 7.690 3.710 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -1.314 8.619 4.491 1.00 1.30 H new ATOM 880 N THR A 42 -3.009 4.818 7.509 1.00 0.31 N ATOM 881 CA THR A 42 -2.868 3.631 8.326 1.00 0.30 C ATOM 882 C THR A 42 -2.843 2.399 7.428 1.00 0.29 C ATOM 883 O THR A 42 -3.881 1.971 6.912 1.00 0.32 O ATOM 884 CB THR A 42 -4.013 3.507 9.351 1.00 0.35 C ATOM 885 OG1 THR A 42 -4.031 4.656 10.209 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.860 2.248 10.189 1.00 0.45 C ATOM 0 H THR A 42 -3.950 4.966 7.144 1.00 0.31 H new ATOM 0 HA THR A 42 -1.933 3.709 8.881 1.00 0.30 H new ATOM 0 HB THR A 42 -4.953 3.447 8.803 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.762 4.570 10.856 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.680 2.185 10.904 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.877 1.374 9.538 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.912 2.282 10.726 1.00 0.45 H new ATOM 894 N LYS A 43 -1.653 1.863 7.216 1.00 0.31 N ATOM 895 CA LYS A 43 -1.463 0.707 6.357 1.00 0.35 C ATOM 896 C LYS A 43 -1.803 -0.569 7.124 1.00 0.33 C ATOM 897 O LYS A 43 -1.233 -0.826 8.182 1.00 0.41 O ATOM 898 CB LYS A 43 -0.005 0.682 5.880 1.00 0.50 C ATOM 899 CG LYS A 43 0.265 -0.267 4.727 1.00 0.77 C ATOM 900 CD LYS A 43 -0.474 0.146 3.463 1.00 0.53 C ATOM 901 CE LYS A 43 -0.029 1.506 2.940 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.763 1.880 1.700 1.00 0.79 N ATOM 0 H LYS A 43 -0.792 2.217 7.634 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.123 0.769 5.492 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.283 1.689 5.579 1.00 0.50 H new ATOM 0 HB3 LYS A 43 0.634 0.405 6.719 1.00 0.50 H new ATOM 0 HG2 LYS A 43 1.336 -0.298 4.527 1.00 0.77 H new ATOM 0 HG3 LYS A 43 -0.036 -1.276 5.010 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -0.313 -0.606 2.691 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.545 0.171 3.665 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.196 2.264 3.705 1.00 0.59 H new ATOM 0 HE3 LYS A 43 1.042 1.487 2.738 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.578 2.878 1.474 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -0.442 1.282 0.912 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -1.783 1.742 1.846 1.00 0.79 H new ATOM 916 N LYS A 44 -2.734 -1.360 6.609 1.00 0.31 N ATOM 917 CA LYS A 44 -3.174 -2.564 7.304 1.00 0.35 C ATOM 918 C LYS A 44 -2.914 -3.820 6.484 1.00 0.34 C ATOM 919 O LYS A 44 -3.391 -3.943 5.359 1.00 0.47 O ATOM 920 CB LYS A 44 -4.670 -2.493 7.619 1.00 0.44 C ATOM 921 CG LYS A 44 -5.024 -1.631 8.817 1.00 0.90 C ATOM 922 CD LYS A 44 -6.510 -1.722 9.129 1.00 0.88 C ATOM 923 CE LYS A 44 -6.863 -1.022 10.431 1.00 1.39 C ATOM 924 NZ LYS A 44 -8.295 -1.203 10.783 1.00 1.96 N ATOM 0 H LYS A 44 -3.198 -1.192 5.716 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.598 -2.618 8.228 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.194 -2.109 6.744 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.039 -3.504 7.793 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.446 -1.951 9.684 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.753 -0.594 8.617 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -7.080 -1.278 8.313 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.804 -2.770 9.190 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.239 -1.413 11.235 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.642 0.042 10.344 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.498 -0.711 11.677 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.891 -0.808 10.028 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -8.500 -2.217 10.891 1.00 1.96 H new ATOM 938 N PHE A 45 -2.153 -4.741 7.055 1.00 0.29 N ATOM 939 CA PHE A 45 -2.028 -6.082 6.508 1.00 0.29 C ATOM 940 C PHE A 45 -2.433 -7.089 7.570 1.00 0.30 C ATOM 941 O PHE A 45 -2.080 -6.940 8.740 1.00 0.37 O ATOM 942 CB PHE A 45 -0.607 -6.368 6.031 1.00 0.32 C ATOM 943 CG PHE A 45 -0.235 -5.654 4.767 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.279 -4.369 4.817 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.399 -6.262 3.534 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.623 -3.702 3.660 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.057 -5.599 2.373 1.00 0.52 C ATOM 948 CZ PHE A 45 0.453 -4.347 2.420 1.00 0.54 C ATOM 0 H PHE A 45 -1.609 -4.582 7.903 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.685 -6.164 5.642 1.00 0.29 H new ATOM 0 HB2 PHE A 45 0.093 -6.084 6.817 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.495 -7.441 5.877 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.412 -3.884 5.773 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.798 -7.264 3.480 1.00 0.44 H new ATOM 0 HE1 PHE A 45 1.018 -2.698 3.704 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.198 -6.084 1.418 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.730 -3.842 1.506 1.00 0.54 H new ATOM 958 N ARG A 46 -3.187 -8.099 7.173 1.00 0.31 N ATOM 959 CA ARG A 46 -3.749 -9.043 8.125 1.00 0.33 C ATOM 960 C ARG A 46 -4.174 -10.331 7.432 1.00 0.31 C ATOM 961 O ARG A 46 -4.383 -10.358 6.223 1.00 0.33 O ATOM 962 CB ARG A 46 -4.954 -8.396 8.813 1.00 0.39 C ATOM 963 CG ARG A 46 -5.909 -7.743 7.827 1.00 0.50 C ATOM 964 CD ARG A 46 -7.059 -7.032 8.511 1.00 0.64 C ATOM 965 NE ARG A 46 -7.948 -7.960 9.206 1.00 1.51 N ATOM 966 CZ ARG A 46 -9.251 -8.074 8.955 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.805 -7.407 7.948 1.00 1.85 N ATOM 968 NH2 ARG A 46 -9.996 -8.889 9.689 1.00 3.17 N ATOM 0 H ARG A 46 -3.425 -8.287 6.199 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.989 -9.296 8.864 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.490 -9.153 9.386 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.603 -7.648 9.524 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.359 -7.029 7.213 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.306 -8.503 7.154 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -6.664 -6.308 9.224 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -7.629 -6.471 7.770 1.00 0.64 H new ATOM 0 HE ARG A 46 -7.546 -8.558 9.928 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -9.232 -6.802 7.360 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -10.804 -7.500 7.763 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -9.571 -9.427 10.444 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -10.994 -8.978 9.499 1.00 3.17 H new ATOM 982 N ASN A 47 -4.262 -11.397 8.210 1.00 0.33 N ATOM 983 CA ASN A 47 -4.818 -12.661 7.734 1.00 0.37 C ATOM 984 C ASN A 47 -6.288 -12.458 7.407 1.00 0.39 C ATOM 985 O ASN A 47 -6.968 -11.695 8.100 1.00 0.54 O ATOM 986 CB ASN A 47 -4.662 -13.745 8.804 1.00 0.50 C ATOM 987 CG ASN A 47 -3.211 -14.035 9.132 1.00 0.92 C ATOM 988 OD1 ASN A 47 -2.621 -13.401 10.011 1.00 1.85 O ATOM 989 ND2 ASN A 47 -2.625 -14.995 8.436 1.00 1.44 N ATOM 0 H ASN A 47 -3.954 -11.415 9.182 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.283 -12.982 6.840 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.180 -13.433 9.711 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -5.143 -14.661 8.461 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -1.650 -15.235 8.618 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.148 -15.496 7.717 1.00 1.44 H new ATOM 996 N ALA A 48 -6.793 -13.121 6.365 1.00 0.36 N ATOM 997 CA ALA A 48 -8.169 -12.914 5.932 1.00 0.41 C ATOM 998 C ALA A 48 -9.141 -13.348 7.009 1.00 0.64 C ATOM 999 O ALA A 48 -8.950 -14.361 7.683 1.00 0.87 O ATOM 1000 CB ALA A 48 -8.439 -13.659 4.631 1.00 0.49 C ATOM 0 H ALA A 48 -6.271 -13.800 5.811 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.314 -11.849 5.753 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -9.471 -13.492 4.324 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -7.766 -13.293 3.856 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -8.273 -14.726 4.781 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.198 -12.567 7.136 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.155 -12.713 8.212 1.00 1.18 C ATOM 1008 C ALA A 49 -11.908 -14.024 8.099 1.00 1.17 C ATOM 1009 O ALA A 49 -12.368 -14.575 9.097 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.110 -11.541 8.190 1.00 1.48 C ATOM 0 H ALA A 49 -10.416 -11.809 6.490 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.622 -12.726 9.163 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -12.833 -11.646 8.999 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.552 -10.614 8.321 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.635 -11.517 7.235 1.00 1.48 H new ATOM 1016 N SER A 50 -12.052 -14.508 6.870 1.00 1.12 N ATOM 1017 CA SER A 50 -12.648 -15.811 6.602 1.00 1.50 C ATOM 1018 C SER A 50 -11.903 -16.959 7.297 1.00 1.66 C ATOM 1019 O SER A 50 -12.381 -18.094 7.307 1.00 2.19 O ATOM 1020 CB SER A 50 -12.665 -16.052 5.094 1.00 1.77 C ATOM 1021 OG SER A 50 -13.141 -14.910 4.404 1.00 2.37 O ATOM 0 H SER A 50 -11.758 -14.007 6.031 1.00 1.12 H new ATOM 0 HA SER A 50 -13.661 -15.797 7.004 1.00 1.50 H new ATOM 0 HB2 SER A 50 -11.660 -16.297 4.750 1.00 1.77 H new ATOM 0 HB3 SER A 50 -13.298 -16.909 4.866 1.00 1.77 H new ATOM 0 HG SER A 50 -12.596 -14.761 3.603 1.00 2.37 H new ATOM 1027 N GLY A 51 -10.739 -16.664 7.877 1.00 1.42 N ATOM 1028 CA GLY A 51 -9.967 -17.683 8.563 1.00 1.68 C ATOM 1029 C GLY A 51 -9.393 -18.714 7.618 1.00 1.70 C ATOM 1030 O GLY A 51 -9.191 -19.868 7.996 1.00 1.91 O ATOM 0 H GLY A 51 -10.319 -15.735 7.882 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -9.155 -17.209 9.114 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -10.601 -18.181 9.296 1.00 1.68 H new ATOM 1034 N LYS A 52 -9.118 -18.297 6.392 1.00 1.54 N ATOM 1035 CA LYS A 52 -8.616 -19.203 5.373 1.00 1.60 C ATOM 1036 C LYS A 52 -7.139 -18.955 5.110 1.00 1.44 C ATOM 1037 O LYS A 52 -6.672 -17.819 5.164 1.00 1.37 O ATOM 1038 CB LYS A 52 -9.409 -19.036 4.076 1.00 1.62 C ATOM 1039 CG LYS A 52 -10.856 -19.496 4.179 1.00 1.92 C ATOM 1040 CD LYS A 52 -11.589 -19.331 2.857 1.00 1.94 C ATOM 1041 CE LYS A 52 -11.005 -20.225 1.769 1.00 2.59 C ATOM 1042 NZ LYS A 52 -11.248 -21.669 2.033 1.00 3.17 N ATOM 0 H LYS A 52 -9.235 -17.333 6.079 1.00 1.54 H new ATOM 0 HA LYS A 52 -8.738 -20.223 5.737 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -9.391 -17.986 3.782 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -8.914 -19.597 3.283 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -10.885 -20.542 4.484 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -11.367 -18.923 4.953 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -12.644 -19.568 2.995 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -11.535 -18.290 2.539 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -11.442 -19.955 0.807 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -9.932 -20.047 1.693 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -10.955 -22.227 1.206 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -10.699 -21.967 2.864 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -12.260 -21.823 2.214 1.00 3.17 H new ATOM 1056 N PRO A 53 -6.388 -20.026 4.819 1.00 1.49 N ATOM 1057 CA PRO A 53 -4.955 -19.939 4.535 1.00 1.40 C ATOM 1058 C PRO A 53 -4.692 -19.335 3.163 1.00 1.15 C ATOM 1059 O PRO A 53 -5.503 -19.500 2.244 1.00 1.15 O ATOM 1060 CB PRO A 53 -4.500 -21.395 4.570 1.00 1.68 C ATOM 1061 CG PRO A 53 -5.705 -22.164 4.164 1.00 1.84 C ATOM 1062 CD PRO A 53 -6.880 -21.415 4.730 1.00 1.76 C ATOM 0 HA PRO A 53 -4.429 -19.300 5.244 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -3.668 -21.569 3.887 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -4.161 -21.682 5.565 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -5.774 -22.238 3.079 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -5.667 -23.182 4.551 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -7.754 -21.491 4.084 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -7.171 -21.802 5.707 1.00 1.76 H new ATOM 1070 N ASP A 54 -3.581 -18.605 3.052 1.00 1.04 N ATOM 1071 CA ASP A 54 -3.155 -17.973 1.798 1.00 0.90 C ATOM 1072 C ASP A 54 -3.953 -16.696 1.545 1.00 0.68 C ATOM 1073 O ASP A 54 -3.401 -15.694 1.098 1.00 0.97 O ATOM 1074 CB ASP A 54 -3.255 -18.953 0.614 1.00 1.06 C ATOM 1075 CG ASP A 54 -3.367 -18.273 -0.738 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -4.507 -18.111 -1.228 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -2.324 -17.945 -1.344 1.00 1.60 O ATOM 0 H ASP A 54 -2.947 -18.434 3.832 1.00 1.04 H new ATOM 0 HA ASP A 54 -2.105 -17.697 1.894 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -2.377 -19.598 0.614 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -4.123 -19.596 0.759 1.00 1.06 H new ATOM 1082 N ARG A 55 -5.251 -16.745 1.809 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.071 -15.552 1.778 1.00 0.47 C ATOM 1084 C ARG A 55 -5.695 -14.601 2.899 1.00 0.41 C ATOM 1085 O ARG A 55 -5.627 -14.978 4.073 1.00 0.51 O ATOM 1086 CB ARG A 55 -7.551 -15.904 1.886 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.023 -16.859 0.812 1.00 1.24 C ATOM 1088 CD ARG A 55 -7.717 -16.343 -0.581 1.00 1.87 C ATOM 1089 NE ARG A 55 -8.507 -17.027 -1.601 1.00 2.57 N ATOM 1090 CZ ARG A 55 -7.998 -17.662 -2.657 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -6.687 -17.826 -2.790 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -8.809 -18.168 -3.572 1.00 4.10 N ATOM 0 H ARG A 55 -5.755 -17.600 2.046 1.00 0.63 H new ATOM 0 HA ARG A 55 -5.891 -15.060 0.822 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -7.741 -16.347 2.864 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.139 -14.988 1.831 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -7.545 -17.828 0.953 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -9.097 -17.016 0.913 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -7.918 -15.272 -0.624 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -6.656 -16.477 -0.793 1.00 1.87 H new ATOM 0 HE ARG A 55 -9.522 -17.018 -1.498 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -6.053 -17.464 -2.078 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -6.314 -18.314 -3.604 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -9.819 -18.071 -3.468 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -8.424 -18.655 -4.382 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.441 -13.373 2.519 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.158 -12.311 3.465 1.00 0.32 C ATOM 1108 C TYR A 56 -6.085 -11.133 3.213 1.00 0.33 C ATOM 1109 O TYR A 56 -6.856 -11.131 2.255 1.00 0.41 O ATOM 1110 CB TYR A 56 -3.694 -11.869 3.362 1.00 0.34 C ATOM 1111 CG TYR A 56 -2.711 -12.887 3.898 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.203 -13.889 3.081 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.290 -12.845 5.218 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.304 -14.818 3.566 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.390 -13.769 5.711 1.00 0.69 C ATOM 1116 CZ TYR A 56 -0.912 -14.762 4.887 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.007 -15.681 5.373 1.00 0.97 O ATOM 0 H TYR A 56 -5.424 -13.077 1.543 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.329 -12.688 4.473 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.458 -11.665 2.318 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.567 -10.933 3.906 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.517 -13.942 2.049 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -2.673 -12.076 5.873 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -0.910 -15.584 2.915 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.063 -13.713 6.739 1.00 0.69 H new ATOM 0 HH TYR A 56 0.164 -15.502 6.321 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.017 -10.146 4.080 1.00 0.32 N ATOM 1128 CA ASP A 57 -6.845 -8.959 3.960 1.00 0.34 C ATOM 1129 C ASP A 57 -5.970 -7.726 4.167 1.00 0.29 C ATOM 1130 O ASP A 57 -4.988 -7.781 4.908 1.00 0.32 O ATOM 1131 CB ASP A 57 -7.986 -9.019 4.980 1.00 0.43 C ATOM 1132 CG ASP A 57 -8.989 -7.901 4.816 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.767 -6.816 5.392 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -9.982 -8.092 4.088 1.00 0.99 O ATOM 0 H ASP A 57 -5.391 -10.140 4.885 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.292 -8.904 2.968 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.499 -9.976 4.886 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.568 -8.979 5.986 1.00 0.43 H new ATOM 1139 N MET A 58 -6.289 -6.636 3.486 1.00 0.27 N ATOM 1140 CA MET A 58 -5.430 -5.457 3.508 1.00 0.26 C ATOM 1141 C MET A 58 -6.255 -4.185 3.347 1.00 0.27 C ATOM 1142 O MET A 58 -7.146 -4.122 2.505 1.00 0.33 O ATOM 1143 CB MET A 58 -4.382 -5.584 2.392 1.00 0.30 C ATOM 1144 CG MET A 58 -3.355 -4.467 2.340 1.00 0.51 C ATOM 1145 SD MET A 58 -4.002 -2.952 1.621 1.00 0.98 S ATOM 1146 CE MET A 58 -2.613 -1.871 1.880 1.00 0.36 C ATOM 0 H MET A 58 -7.129 -6.541 2.915 1.00 0.27 H new ATOM 0 HA MET A 58 -4.922 -5.393 4.470 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.858 -6.532 2.513 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.899 -5.626 1.433 1.00 0.30 H new ATOM 0 HG2 MET A 58 -2.999 -4.261 3.349 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.494 -4.799 1.760 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.585 -1.119 1.092 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.710 -1.379 2.848 1.00 0.36 H new ATOM 0 HE3 MET A 58 -1.691 -2.452 1.860 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.941 -3.165 4.138 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.711 -1.927 4.112 1.00 0.32 C ATOM 1158 C GLU A 59 -5.824 -0.687 4.118 1.00 0.31 C ATOM 1159 O GLU A 59 -4.682 -0.714 4.582 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.693 -1.862 5.288 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.851 -2.843 5.192 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.838 -2.691 6.330 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -10.006 -3.650 7.112 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.444 -1.608 6.464 1.00 1.11 O ATOM 0 H GLU A 59 -5.165 -3.170 4.800 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.269 -1.935 3.175 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -7.147 -2.051 6.212 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -8.094 -0.851 5.356 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -9.369 -2.696 4.244 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -8.461 -3.861 5.188 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.384 0.395 3.590 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.734 1.700 3.559 1.00 0.42 C ATOM 1173 C ASN A 60 -6.664 2.748 4.146 1.00 0.46 C ATOM 1174 O ASN A 60 -7.565 3.237 3.462 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.381 2.106 2.126 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.214 1.338 1.553 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.245 1.054 2.251 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -4.307 0.982 0.281 1.00 1.02 N ATOM 0 H ASN A 60 -7.312 0.391 3.167 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.817 1.633 4.145 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.253 1.956 1.489 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -5.150 3.171 2.105 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -3.554 0.450 -0.156 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -5.131 1.240 -0.262 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.466 3.076 5.408 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.269 4.105 6.050 1.00 0.39 C ATOM 1187 C LEU A 61 -6.536 5.432 6.013 1.00 0.39 C ATOM 1188 O LEU A 61 -5.350 5.500 6.332 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.601 3.721 7.490 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.437 2.452 7.647 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.740 2.198 9.114 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.724 2.560 6.841 1.00 1.66 C ATOM 0 H LEU A 61 -5.761 2.649 6.009 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.207 4.201 5.503 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.668 3.593 8.040 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -8.135 4.549 7.956 1.00 0.42 H new ATOM 0 HG LEU A 61 -7.865 1.607 7.264 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.336 1.291 9.211 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.806 2.079 9.663 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.295 3.042 9.522 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -10.308 1.648 6.964 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -10.304 3.412 7.194 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.483 2.697 5.787 1.00 1.66 H new ATOM 1204 N THR A 62 -7.235 6.483 5.614 1.00 0.34 N ATOM 1205 CA THR A 62 -6.618 7.785 5.467 1.00 0.35 C ATOM 1206 C THR A 62 -7.506 8.864 6.070 1.00 0.37 C ATOM 1207 O THR A 62 -8.302 8.593 6.970 1.00 0.43 O ATOM 1208 CB THR A 62 -6.331 8.123 3.983 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.555 8.283 3.258 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.507 7.034 3.321 1.00 0.45 C ATOM 0 H THR A 62 -8.229 6.457 5.387 1.00 0.34 H new ATOM 0 HA THR A 62 -5.667 7.752 5.998 1.00 0.35 H new ATOM 0 HB THR A 62 -5.768 9.056 3.965 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.406 8.874 2.491 1.00 0.34 H new ATOM 0 HG21 THR A 62 -5.322 7.300 2.280 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.556 6.929 3.843 1.00 0.45 H new ATOM 0 HG23 THR A 62 -6.050 6.090 3.363 1.00 0.45 H new ATOM 1218 N THR A 63 -7.372 10.079 5.576 1.00 0.42 N ATOM 1219 CA THR A 63 -8.169 11.185 6.055 1.00 0.46 C ATOM 1220 C THR A 63 -9.235 11.563 5.035 1.00 0.46 C ATOM 1221 O THR A 63 -10.339 11.977 5.385 1.00 0.54 O ATOM 1222 CB THR A 63 -7.267 12.397 6.324 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.528 12.712 5.136 1.00 0.52 O ATOM 1224 CG2 THR A 63 -6.300 12.095 7.454 1.00 0.50 C ATOM 0 H THR A 63 -6.713 10.324 4.837 1.00 0.42 H new ATOM 0 HA THR A 63 -8.661 10.880 6.979 1.00 0.46 H new ATOM 0 HB THR A 63 -7.890 13.245 6.610 1.00 0.50 H new ATOM 0 HG1 THR A 63 -6.346 13.675 5.109 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.667 12.964 7.633 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.860 11.861 8.359 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.678 11.243 7.182 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.902 11.398 3.762 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.775 11.828 2.684 1.00 0.50 C ATOM 1234 C LYS A 64 -10.439 10.642 2.004 1.00 0.49 C ATOM 1235 O LYS A 64 -11.367 10.811 1.215 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.977 12.630 1.655 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.445 13.962 2.168 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.558 14.980 2.393 1.00 0.88 C ATOM 1239 CE LYS A 64 -10.044 14.990 3.834 1.00 1.64 C ATOM 1240 NZ LYS A 64 -11.242 15.850 4.004 1.00 2.24 N ATOM 0 H LYS A 64 -8.030 10.968 3.452 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.555 12.456 3.114 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -8.137 12.025 1.313 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.610 12.816 0.787 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.908 13.801 3.103 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.727 14.364 1.453 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.199 15.974 2.126 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -10.394 14.754 1.731 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -10.280 13.972 4.146 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -9.245 15.346 4.485 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -11.544 15.832 4.999 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -11.010 16.826 3.730 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -12.012 15.495 3.402 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.960 9.446 2.304 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.471 8.254 1.660 1.00 0.49 C ATOM 1256 C LYS A 65 -10.455 7.071 2.620 1.00 0.52 C ATOM 1257 O LYS A 65 -10.520 7.239 3.838 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.648 7.954 0.399 1.00 0.73 C ATOM 1259 CG LYS A 65 -10.500 7.718 -0.847 1.00 1.18 C ATOM 1260 CD LYS A 65 -11.536 6.624 -0.634 1.00 1.22 C ATOM 1261 CE LYS A 65 -12.340 6.349 -1.891 1.00 1.36 C ATOM 1262 NZ LYS A 65 -13.478 5.433 -1.623 1.00 1.82 N ATOM 0 H LYS A 65 -9.221 9.278 2.987 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.507 8.425 1.368 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.969 8.786 0.212 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.031 7.074 0.579 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -11.004 8.645 -1.122 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -9.853 7.447 -1.682 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.037 5.709 -0.316 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -12.211 6.915 0.171 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -12.716 7.289 -2.296 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -11.691 5.912 -2.650 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -14.005 5.267 -2.504 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -13.117 4.528 -1.260 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -14.110 5.862 -0.917 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.305 5.899 2.035 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.437 4.609 2.703 1.00 0.39 C ATOM 1278 C ASP A 66 -10.648 3.543 1.642 1.00 0.43 C ATOM 1279 O ASP A 66 -11.540 3.653 0.798 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.584 4.562 3.733 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.960 4.817 3.145 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -13.581 3.864 2.624 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -13.444 5.964 3.231 1.00 2.12 O ATOM 0 H ASP A 66 -10.079 5.810 1.044 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.521 4.433 3.268 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.583 3.585 4.216 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -11.390 5.302 4.510 1.00 0.57 H new ATOM 1288 N THR A 67 -9.785 2.551 1.641 1.00 0.35 N ATOM 1289 CA THR A 67 -9.885 1.455 0.695 1.00 0.32 C ATOM 1290 C THR A 67 -9.641 0.148 1.435 1.00 0.26 C ATOM 1291 O THR A 67 -8.774 0.089 2.307 1.00 0.30 O ATOM 1292 CB THR A 67 -8.866 1.618 -0.460 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.531 1.503 0.042 1.00 0.38 O ATOM 1294 CG2 THR A 67 -9.030 2.974 -1.146 1.00 0.56 C ATOM 0 H THR A 67 -9.000 2.478 2.288 1.00 0.35 H new ATOM 0 HA THR A 67 -10.882 1.453 0.254 1.00 0.32 H new ATOM 0 HB THR A 67 -9.055 0.829 -1.188 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.953 2.151 -0.413 1.00 0.38 H new ATOM 0 HG21 THR A 67 -8.303 3.064 -1.953 1.00 0.56 H new ATOM 0 HG22 THR A 67 -10.037 3.056 -1.554 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.867 3.771 -0.420 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.380 -0.895 1.095 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.365 -2.118 1.894 1.00 0.23 C ATOM 1304 C HIS A 68 -10.354 -3.365 1.015 1.00 0.22 C ATOM 1305 O HIS A 68 -11.393 -3.891 0.613 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.547 -2.146 2.887 1.00 0.32 C ATOM 1307 CG HIS A 68 -12.896 -2.003 2.253 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -13.239 -1.761 0.970 1.00 1.05 N flip ATOM 1309 CD2 HIS A 68 -14.078 -2.117 2.948 1.00 1.43 C flip ATOM 1310 CE1 HIS A 68 -14.609 -1.731 0.910 1.00 1.69 C flip ATOM 1311 NE2 HIS A 68 -15.090 -1.952 2.118 1.00 1.95 N flip ATOM 0 H HIS A 68 -10.993 -0.924 0.280 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.440 -2.120 2.471 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.518 -3.085 3.440 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -11.414 -1.344 3.613 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -14.164 -2.311 4.007 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -15.196 -1.555 0.021 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -16.078 -1.989 2.368 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.158 -3.820 0.719 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.950 -5.026 -0.074 1.00 0.26 C ATOM 1322 C HIS A 69 -9.396 -6.250 0.725 1.00 0.29 C ATOM 1323 O HIS A 69 -8.587 -6.883 1.405 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.470 -5.184 -0.448 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.803 -3.950 -0.987 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.477 -2.864 -1.497 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.492 -3.648 -1.089 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.609 -1.951 -1.890 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.393 -2.402 -1.655 1.00 0.39 N ATOM 0 H HIS A 69 -8.294 -3.368 1.019 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.538 -4.941 -0.988 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.924 -5.515 0.435 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.384 -5.976 -1.191 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.491 -2.778 -1.561 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.668 -4.275 -0.780 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -6.854 -0.996 -2.330 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.524 -1.908 -1.860 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.682 -6.564 0.654 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.255 -7.646 1.441 1.00 0.37 C ATOM 1340 C LYS A 70 -10.982 -9.022 0.840 1.00 0.31 C ATOM 1341 O LYS A 70 -11.399 -9.303 -0.285 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.758 -7.449 1.567 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.135 -6.133 2.217 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.539 -5.705 1.839 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.659 -5.477 0.343 1.00 1.43 C ATOM 1346 NZ LYS A 70 -15.990 -4.933 -0.043 1.00 2.30 N ATOM 0 H LYS A 70 -11.352 -6.081 0.055 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.777 -7.613 2.420 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.209 -7.500 0.576 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -13.178 -8.268 2.150 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -13.062 -6.228 3.300 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -12.426 -5.362 1.916 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.251 -6.469 2.151 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.799 -4.790 2.371 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.880 -4.787 0.020 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.488 -6.418 -0.180 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -16.023 -4.795 -1.073 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.734 -5.602 0.240 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -16.144 -4.022 0.434 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.280 -9.861 1.604 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.130 -11.289 1.292 1.00 0.37 C ATOM 1362 C ASP A 71 -9.480 -11.502 -0.076 1.00 0.33 C ATOM 1363 O ASP A 71 -10.156 -11.809 -1.061 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.504 -11.976 1.347 1.00 0.51 C ATOM 1365 CG ASP A 71 -11.422 -13.488 1.471 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -11.352 -14.003 2.610 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -11.391 -14.166 0.420 1.00 2.07 O ATOM 0 H ASP A 71 -9.799 -9.573 2.456 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.471 -11.734 2.038 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.066 -11.580 2.193 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -12.064 -11.723 0.447 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.169 -11.332 -0.132 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.424 -11.476 -1.379 1.00 0.30 C ATOM 1374 C TRP A 72 -6.299 -12.483 -1.231 1.00 0.31 C ATOM 1375 O TRP A 72 -5.912 -12.842 -0.119 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.835 -10.132 -1.810 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.996 -9.474 -0.752 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.428 -8.577 0.176 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.591 -9.655 -0.508 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.389 -8.192 0.982 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.251 -8.837 0.581 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.582 -10.424 -1.098 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.956 -8.774 1.088 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.301 -10.347 -0.579 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -2.005 -9.529 0.497 1.00 0.43 C ATOM 0 H TRP A 72 -7.593 -11.093 0.675 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.122 -11.831 -2.137 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.227 -10.281 -2.703 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.648 -9.461 -2.086 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.443 -8.220 0.264 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.454 -7.531 1.756 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.798 -11.064 -1.941 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.719 -8.140 1.929 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.515 -10.939 -1.024 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.993 -9.494 0.872 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.786 -12.947 -2.357 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.613 -13.794 -2.362 1.00 0.50 C ATOM 1398 C ALA A 73 -3.538 -13.198 -3.251 1.00 0.48 C ATOM 1399 O ALA A 73 -3.837 -12.484 -4.208 1.00 0.42 O ATOM 1400 CB ALA A 73 -4.983 -15.174 -2.861 1.00 0.55 C ATOM 0 H ALA A 73 -6.168 -12.749 -3.282 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.227 -13.868 -1.345 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.097 -15.810 -2.864 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -5.739 -15.607 -2.206 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.380 -15.100 -3.874 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.286 -13.456 -2.929 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.219 -13.098 -3.838 1.00 0.67 C ATOM 1408 C LEU A 74 -1.302 -13.959 -5.098 1.00 0.57 C ATOM 1409 O LEU A 74 -1.605 -15.153 -5.047 1.00 0.56 O ATOM 1410 CB LEU A 74 0.188 -13.156 -3.190 1.00 0.95 C ATOM 1411 CG LEU A 74 0.453 -14.223 -2.111 1.00 0.68 C ATOM 1412 CD1 LEU A 74 -0.092 -13.792 -0.754 1.00 1.28 C ATOM 1413 CD2 LEU A 74 -0.114 -15.571 -2.514 1.00 1.71 C ATOM 0 H LEU A 74 -1.987 -13.903 -2.062 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.362 -12.053 -4.112 1.00 0.67 H new ATOM 0 HB2 LEU A 74 0.916 -13.303 -3.988 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.391 -12.180 -2.749 1.00 0.95 H new ATOM 0 HG LEU A 74 1.534 -14.327 -2.020 1.00 0.68 H new ATOM 0 HD11 LEU A 74 0.112 -14.568 -0.017 1.00 1.28 H new ATOM 0 HD12 LEU A 74 0.390 -12.864 -0.447 1.00 1.28 H new ATOM 0 HD13 LEU A 74 -1.168 -13.635 -0.827 1.00 1.28 H new ATOM 0 HD21 LEU A 74 0.091 -16.301 -1.731 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -1.191 -15.485 -2.657 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.351 -15.898 -3.444 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.040 -13.329 -6.219 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.285 -13.935 -7.509 1.00 0.56 C ATOM 1427 C GLY A 75 -2.725 -13.748 -7.965 1.00 0.51 C ATOM 1428 O GLY A 75 -3.111 -14.233 -9.030 1.00 0.59 O ATOM 0 H GLY A 75 -0.653 -12.386 -6.264 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.612 -13.499 -8.247 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.057 -15.000 -7.458 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.518 -13.032 -7.168 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.932 -12.837 -7.472 1.00 0.40 C ATOM 1434 C GLU A 76 -5.209 -11.407 -7.944 1.00 0.36 C ATOM 1435 O GLU A 76 -4.518 -10.461 -7.555 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.789 -13.179 -6.246 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.282 -12.996 -6.462 1.00 0.92 C ATOM 1438 CD GLU A 76 -8.112 -13.474 -5.292 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -7.999 -12.876 -4.201 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.869 -14.453 -5.447 1.00 1.59 O ATOM 0 H GLU A 76 -3.205 -12.579 -6.309 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.199 -13.510 -8.287 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.598 -14.213 -5.960 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.474 -12.554 -5.410 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.491 -11.941 -6.641 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.583 -13.538 -7.359 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.231 -11.274 -8.783 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.655 -9.987 -9.316 1.00 0.43 C ATOM 1449 C GLU A 77 -8.109 -9.733 -8.916 1.00 0.44 C ATOM 1450 O GLU A 77 -9.002 -10.501 -9.281 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.527 -9.978 -10.843 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.889 -8.646 -11.481 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.953 -8.713 -12.994 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.892 -8.894 -13.627 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -8.062 -8.600 -13.556 1.00 0.90 O ATOM 0 H GLU A 77 -6.790 -12.061 -9.113 1.00 0.39 H new ATOM 0 HA GLU A 77 -6.019 -9.201 -8.909 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.503 -10.234 -11.114 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -7.170 -10.755 -11.257 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.854 -8.315 -11.096 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -6.154 -7.897 -11.187 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.347 -8.675 -8.161 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.678 -8.383 -7.647 1.00 0.41 C ATOM 1464 C PHE A 78 -9.972 -6.890 -7.726 1.00 0.42 C ATOM 1465 O PHE A 78 -9.057 -6.079 -7.820 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.789 -8.861 -6.194 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.803 -8.200 -5.269 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.493 -8.648 -5.196 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.187 -7.130 -4.477 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.585 -8.039 -4.355 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.283 -6.518 -3.632 1.00 0.57 C ATOM 1472 CZ PHE A 78 -6.980 -6.973 -3.571 1.00 0.52 C ATOM 0 H PHE A 78 -7.633 -7.999 -7.888 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.410 -8.910 -8.259 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.799 -8.669 -5.833 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.638 -9.940 -6.162 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.180 -9.483 -5.805 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.205 -6.771 -4.521 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.566 -8.395 -4.310 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.594 -5.685 -3.019 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.271 -6.496 -2.911 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.247 -6.537 -7.692 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.661 -5.141 -7.731 1.00 0.51 C ATOM 1484 C GLN A 79 -11.825 -4.593 -6.310 1.00 0.50 C ATOM 1485 O GLN A 79 -12.119 -5.346 -5.376 1.00 0.54 O ATOM 1486 CB GLN A 79 -12.975 -5.018 -8.508 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.433 -3.588 -8.761 1.00 1.00 C ATOM 1488 CD GLN A 79 -14.830 -3.529 -9.347 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -15.665 -4.391 -9.073 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -15.091 -2.521 -10.162 1.00 1.94 N ATOM 0 H GLN A 79 -12.019 -7.202 -7.637 1.00 0.46 H new ATOM 0 HA GLN A 79 -10.893 -4.554 -8.235 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -12.863 -5.524 -9.467 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.756 -5.544 -7.959 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.410 -3.030 -7.825 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.735 -3.100 -9.441 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -14.370 -1.828 -10.363 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -16.013 -2.437 -10.590 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.646 -3.284 -6.160 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.774 -2.623 -4.860 1.00 0.49 C ATOM 1501 C ASP A 80 -11.840 -1.113 -5.055 1.00 0.52 C ATOM 1502 O ASP A 80 -11.687 -0.618 -6.177 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.596 -2.977 -3.941 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.830 -2.547 -2.504 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -11.965 -2.689 -2.012 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -9.870 -2.081 -1.862 1.00 1.26 O ATOM 0 H ASP A 80 -11.410 -2.654 -6.927 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.692 -2.972 -4.388 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.426 -4.053 -3.972 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.690 -2.501 -4.317 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.041 -0.379 -3.973 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.133 1.065 -4.046 1.00 0.65 C ATOM 1513 C GLU A 81 -10.741 1.670 -4.121 1.00 0.63 C ATOM 1514 O GLU A 81 -9.856 1.298 -3.364 1.00 0.82 O ATOM 1515 CB GLU A 81 -12.872 1.624 -2.833 1.00 0.81 C ATOM 1516 CG GLU A 81 -14.268 1.057 -2.655 1.00 1.64 C ATOM 1517 CD GLU A 81 -15.165 1.996 -1.884 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.985 2.697 -2.513 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -15.061 2.022 -0.639 1.00 1.81 O ATOM 0 H GLU A 81 -12.143 -0.763 -3.033 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.692 1.327 -4.944 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -12.288 1.417 -1.936 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -12.939 2.708 -2.927 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -14.706 0.858 -3.633 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -14.208 0.102 -2.133 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.535 2.528 -5.100 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.295 3.280 -5.212 1.00 0.67 C ATOM 1528 C ALA A 82 -9.290 4.487 -4.282 1.00 0.60 C ATOM 1529 O ALA A 82 -10.345 5.007 -3.924 1.00 0.59 O ATOM 1530 CB ALA A 82 -9.105 3.728 -6.653 1.00 0.95 C ATOM 0 H ALA A 82 -11.214 2.725 -5.836 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.470 2.631 -4.916 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -8.176 4.292 -6.739 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -9.061 2.854 -7.303 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -9.942 4.360 -6.951 1.00 0.95 H new ATOM 1536 N LEU A 83 -8.088 4.922 -3.888 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.912 6.181 -3.153 1.00 0.58 C ATOM 1538 C LEU A 83 -8.466 7.328 -3.989 1.00 0.59 C ATOM 1539 O LEU A 83 -8.856 8.377 -3.484 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.425 6.459 -2.863 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.702 5.503 -1.898 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.470 5.368 -0.593 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -5.462 4.141 -2.535 1.00 1.34 C ATOM 0 H LEU A 83 -7.219 4.419 -4.066 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.443 6.097 -2.205 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.889 6.449 -3.812 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -6.343 7.469 -2.461 1.00 0.66 H new ATOM 0 HG LEU A 83 -4.726 5.935 -1.675 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -5.939 4.687 0.073 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.556 6.346 -0.119 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.466 4.974 -0.796 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -4.950 3.492 -1.825 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.418 3.695 -2.810 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.847 4.260 -3.427 1.00 1.34 H new ATOM 1555 N ASP A 84 -8.482 7.082 -5.284 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.963 8.029 -6.283 1.00 0.67 C ATOM 1557 C ASP A 84 -10.498 7.998 -6.383 1.00 0.69 C ATOM 1558 O ASP A 84 -11.107 8.734 -7.161 1.00 0.78 O ATOM 1559 CB ASP A 84 -8.280 7.686 -7.618 1.00 0.70 C ATOM 1560 CG ASP A 84 -8.936 8.296 -8.841 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -9.787 7.622 -9.463 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -8.581 9.434 -9.203 1.00 1.39 O ATOM 0 H ASP A 84 -8.156 6.202 -5.684 1.00 0.60 H new ATOM 0 HA ASP A 84 -8.707 9.050 -6.000 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.243 8.018 -7.575 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -8.263 6.602 -7.734 1.00 0.70 H new ATOM 1567 N SER A 85 -11.109 7.164 -5.539 1.00 0.67 N ATOM 1568 CA SER A 85 -12.566 7.029 -5.458 1.00 0.74 C ATOM 1569 C SER A 85 -13.163 6.413 -6.723 1.00 0.77 C ATOM 1570 O SER A 85 -14.202 6.855 -7.218 1.00 1.09 O ATOM 1571 CB SER A 85 -13.216 8.382 -5.150 1.00 0.84 C ATOM 1572 OG SER A 85 -12.755 8.891 -3.909 1.00 1.21 O ATOM 0 H SER A 85 -10.605 6.560 -4.889 1.00 0.67 H new ATOM 0 HA SER A 85 -12.781 6.342 -4.639 1.00 0.74 H new ATOM 0 HB2 SER A 85 -12.987 9.090 -5.946 1.00 0.84 H new ATOM 0 HB3 SER A 85 -14.300 8.272 -5.123 1.00 0.84 H new ATOM 0 HG SER A 85 -13.180 9.756 -3.732 1.00 1.21 H new ATOM 1578 N THR A 86 -12.503 5.386 -7.231 1.00 0.67 N ATOM 1579 CA THR A 86 -13.024 4.612 -8.348 1.00 0.67 C ATOM 1580 C THR A 86 -13.028 3.126 -8.001 1.00 0.66 C ATOM 1581 O THR A 86 -12.322 2.693 -7.088 1.00 0.76 O ATOM 1582 CB THR A 86 -12.194 4.846 -9.621 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.800 4.961 -9.291 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.657 6.099 -10.346 1.00 0.93 C ATOM 0 H THR A 86 -11.598 5.066 -6.885 1.00 0.67 H new ATOM 0 HA THR A 86 -14.045 4.943 -8.538 1.00 0.67 H new ATOM 0 HB THR A 86 -12.337 3.991 -10.281 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.521 5.897 -9.372 1.00 0.86 H new ATOM 0 HG21 THR A 86 -12.055 6.244 -11.243 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.705 5.991 -10.626 1.00 0.93 H new ATOM 0 HG23 THR A 86 -12.543 6.962 -9.690 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.819 2.342 -8.721 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.928 0.914 -8.451 1.00 0.76 C ATOM 1594 C GLN A 87 -12.919 0.169 -9.304 1.00 0.66 C ATOM 1595 O GLN A 87 -13.256 -0.416 -10.326 1.00 0.89 O ATOM 1596 CB GLN A 87 -15.345 0.432 -8.748 1.00 1.02 C ATOM 1597 CG GLN A 87 -16.405 1.205 -7.987 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.267 1.053 -6.487 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -15.503 1.938 -5.865 1.00 1.88 O flip ATOM 1600 NE2 GLN A 87 -16.844 0.142 -5.889 1.00 1.33 N flip ATOM 0 H GLN A 87 -14.395 2.670 -9.496 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.717 0.721 -7.399 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.536 0.520 -9.817 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.423 -0.626 -8.496 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -16.339 2.261 -8.250 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -17.392 0.861 -8.295 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -17.424 -0.520 -6.405 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -16.741 0.050 -4.878 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.688 0.154 -8.835 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.547 -0.135 -9.689 1.00 0.53 C ATOM 1611 C HIS A 88 -10.036 -1.563 -9.523 1.00 0.49 C ATOM 1612 O HIS A 88 -10.225 -2.190 -8.481 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.428 0.863 -9.395 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.614 0.541 -8.183 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -9.133 0.443 -6.910 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -7.296 0.300 -8.066 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -8.164 0.163 -6.063 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.033 0.069 -6.735 1.00 0.97 N ATOM 0 H HIS A 88 -11.448 0.339 -7.861 1.00 0.54 H new ATOM 0 HA HIS A 88 -10.876 -0.037 -10.724 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -8.766 0.912 -10.259 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -9.865 1.854 -9.271 1.00 0.63 H new ATOM 0 HD1 HIS A 88 -10.115 0.568 -6.662 1.00 0.75 H new ATOM 0 HD2 HIS A 88 -6.575 0.290 -8.870 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -8.277 0.032 -4.997 1.00 0.73 H new ATOM 1627 N LYS A 89 -9.385 -2.047 -10.571 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.760 -3.361 -10.580 1.00 0.49 C ATOM 1629 C LYS A 89 -7.498 -3.370 -9.722 1.00 0.45 C ATOM 1630 O LYS A 89 -6.738 -2.401 -9.710 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.403 -3.741 -12.019 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.670 -5.069 -12.146 1.00 1.06 C ATOM 1633 CD LYS A 89 -7.051 -5.243 -13.526 1.00 1.08 C ATOM 1634 CE LYS A 89 -8.093 -5.203 -14.631 1.00 1.15 C ATOM 1635 NZ LYS A 89 -9.144 -6.242 -14.444 1.00 1.49 N ATOM 0 H LYS A 89 -9.275 -1.534 -11.446 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.463 -4.084 -10.166 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -9.318 -3.785 -12.610 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -7.784 -2.954 -12.449 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -6.889 -5.127 -11.387 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -8.364 -5.887 -11.953 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -6.315 -4.457 -13.694 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -6.518 -6.193 -13.566 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -8.558 -4.217 -14.656 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -7.605 -5.350 -15.595 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -9.497 -6.550 -15.373 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -8.741 -7.057 -13.939 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -9.929 -5.845 -13.890 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.292 -4.458 -9.001 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.106 -4.631 -8.183 1.00 0.35 C ATOM 1651 C ILE A 90 -5.498 -6.005 -8.415 1.00 0.34 C ATOM 1652 O ILE A 90 -6.211 -6.973 -8.664 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.435 -4.503 -6.683 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -7.010 -3.128 -6.375 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.200 -4.764 -5.832 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.356 -2.945 -4.920 1.00 0.54 C ATOM 0 H ILE A 90 -7.941 -5.244 -8.966 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.403 -3.849 -8.470 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.185 -5.255 -6.437 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -6.290 -2.365 -6.670 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.905 -2.971 -6.978 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.458 -4.668 -4.777 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.831 -5.771 -6.025 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.425 -4.040 -6.084 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.761 -1.945 -4.765 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -8.099 -3.687 -4.627 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.459 -3.071 -4.314 1.00 0.54 H new ATOM 1668 N THR A 91 -4.186 -6.081 -8.354 1.00 0.30 N ATOM 1669 CA THR A 91 -3.505 -7.353 -8.362 1.00 0.30 C ATOM 1670 C THR A 91 -2.414 -7.365 -7.302 1.00 0.28 C ATOM 1671 O THR A 91 -1.595 -6.450 -7.232 1.00 0.31 O ATOM 1672 CB THR A 91 -2.897 -7.653 -9.739 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.918 -7.573 -10.739 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.254 -9.031 -9.767 1.00 0.37 C ATOM 0 H THR A 91 -3.569 -5.271 -8.298 1.00 0.30 H new ATOM 0 HA THR A 91 -4.238 -8.128 -8.139 1.00 0.30 H new ATOM 0 HB THR A 91 -2.122 -6.914 -9.942 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.530 -7.763 -11.619 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.832 -9.216 -10.755 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.462 -9.078 -9.019 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.007 -9.788 -9.547 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.419 -8.397 -6.481 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.402 -8.568 -5.461 1.00 0.33 C ATOM 1684 C PHE A 92 -0.498 -9.711 -5.859 1.00 0.39 C ATOM 1685 O PHE A 92 -0.973 -10.719 -6.362 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.025 -8.842 -4.089 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.226 -7.606 -3.259 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.336 -6.805 -3.438 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.299 -7.250 -2.291 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.519 -5.672 -2.672 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.476 -6.116 -1.522 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.588 -5.327 -1.712 1.00 0.52 C ATOM 0 H PHE A 92 -3.122 -9.136 -6.501 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.827 -7.645 -5.381 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -2.987 -9.335 -4.229 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.387 -9.536 -3.542 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.069 -7.068 -4.186 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.427 -7.868 -2.136 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.392 -5.054 -2.823 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -0.744 -5.849 -0.774 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.732 -4.441 -1.112 1.00 0.52 H new ATOM 1702 N ASP A 93 0.795 -9.547 -5.661 1.00 0.37 N ATOM 1703 CA ASP A 93 1.754 -10.575 -6.033 1.00 0.43 C ATOM 1704 C ASP A 93 3.062 -10.355 -5.298 1.00 0.36 C ATOM 1705 O ASP A 93 3.446 -9.216 -5.031 1.00 0.39 O ATOM 1706 CB ASP A 93 1.993 -10.556 -7.547 1.00 0.58 C ATOM 1707 CG ASP A 93 2.922 -11.661 -8.012 1.00 0.80 C ATOM 1708 OD1 ASP A 93 2.494 -12.834 -8.048 1.00 1.69 O ATOM 1709 OD2 ASP A 93 4.090 -11.367 -8.337 1.00 1.24 O ATOM 0 H ASP A 93 1.208 -8.713 -5.245 1.00 0.37 H new ATOM 0 HA ASP A 93 1.350 -11.548 -5.755 1.00 0.43 H new ATOM 0 HB2 ASP A 93 1.037 -10.651 -8.062 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.413 -9.591 -7.831 1.00 0.58 H new ATOM 1714 N LEU A 94 3.732 -11.435 -4.954 1.00 0.42 N ATOM 1715 CA LEU A 94 5.037 -11.341 -4.331 1.00 0.51 C ATOM 1716 C LEU A 94 6.103 -11.310 -5.407 1.00 0.56 C ATOM 1717 O LEU A 94 6.247 -12.256 -6.185 1.00 0.63 O ATOM 1718 CB LEU A 94 5.278 -12.507 -3.373 1.00 0.61 C ATOM 1719 CG LEU A 94 5.060 -12.198 -1.890 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.125 -11.242 -1.377 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.679 -11.613 -1.661 1.00 1.12 C ATOM 0 H LEU A 94 3.396 -12.388 -5.095 1.00 0.42 H new ATOM 0 HA LEU A 94 5.082 -10.422 -3.747 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.620 -13.328 -3.656 1.00 0.61 H new ATOM 0 HB3 LEU A 94 6.301 -12.858 -3.506 1.00 0.61 H new ATOM 0 HG LEU A 94 5.137 -13.134 -1.336 1.00 0.64 H new ATOM 0 HD11 LEU A 94 5.951 -11.036 -0.321 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.109 -11.693 -1.501 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.079 -10.310 -1.941 1.00 1.02 H new ATOM 0 HD21 LEU A 94 3.545 -11.401 -0.600 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.576 -10.690 -2.232 1.00 1.12 H new ATOM 0 HD23 LEU A 94 2.923 -12.327 -1.986 1.00 1.12 H new ATOM 1733 N LYS A 95 6.844 -10.220 -5.448 1.00 0.58 N ATOM 1734 CA LYS A 95 7.837 -10.021 -6.488 1.00 0.66 C ATOM 1735 C LYS A 95 9.172 -10.548 -5.997 1.00 0.69 C ATOM 1736 O LYS A 95 9.810 -11.387 -6.637 1.00 0.78 O ATOM 1737 CB LYS A 95 7.933 -8.535 -6.844 1.00 0.70 C ATOM 1738 CG LYS A 95 8.735 -8.254 -8.101 1.00 0.91 C ATOM 1739 CD LYS A 95 8.658 -6.785 -8.490 1.00 1.61 C ATOM 1740 CE LYS A 95 9.304 -6.528 -9.841 1.00 2.08 C ATOM 1741 NZ LYS A 95 8.654 -7.305 -10.928 1.00 3.03 N ATOM 0 H LYS A 95 6.778 -9.458 -4.773 1.00 0.58 H new ATOM 0 HA LYS A 95 7.548 -10.563 -7.389 1.00 0.66 H new ATOM 0 HB2 LYS A 95 6.927 -8.136 -6.970 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.385 -8.000 -6.009 1.00 0.70 H new ATOM 0 HG2 LYS A 95 9.776 -8.536 -7.941 1.00 0.91 H new ATOM 0 HG3 LYS A 95 8.360 -8.869 -8.919 1.00 0.91 H new ATOM 0 HD2 LYS A 95 7.615 -6.470 -8.519 1.00 1.61 H new ATOM 0 HD3 LYS A 95 9.152 -6.180 -7.729 1.00 1.61 H new ATOM 0 HE2 LYS A 95 9.248 -5.464 -10.073 1.00 2.08 H new ATOM 0 HE3 LYS A 95 10.361 -6.788 -9.792 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 8.903 -6.890 -11.848 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 8.982 -8.291 -10.893 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 7.622 -7.279 -10.804 1.00 3.03 H new ATOM 1755 N ASP A 96 9.574 -10.059 -4.839 1.00 0.65 N ATOM 1756 CA ASP A 96 10.759 -10.545 -4.159 1.00 0.70 C ATOM 1757 C ASP A 96 10.353 -11.005 -2.767 1.00 0.65 C ATOM 1758 O ASP A 96 9.284 -10.630 -2.286 1.00 0.60 O ATOM 1759 CB ASP A 96 11.815 -9.437 -4.065 1.00 0.76 C ATOM 1760 CG ASP A 96 12.286 -8.949 -5.420 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.744 -7.935 -5.915 1.00 1.03 O ATOM 1762 OD2 ASP A 96 13.191 -9.578 -6.004 1.00 1.79 O ATOM 0 H ASP A 96 9.087 -9.313 -4.343 1.00 0.65 H new ATOM 0 HA ASP A 96 11.193 -11.375 -4.716 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.403 -8.597 -3.506 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.671 -9.806 -3.501 1.00 0.76 H new ATOM 1767 N PRO A 97 11.197 -11.803 -2.086 1.00 0.73 N ATOM 1768 CA PRO A 97 10.874 -12.372 -0.768 1.00 0.76 C ATOM 1769 C PRO A 97 10.792 -11.306 0.321 1.00 0.66 C ATOM 1770 O PRO A 97 10.604 -11.613 1.499 1.00 0.73 O ATOM 1771 CB PRO A 97 12.041 -13.333 -0.490 1.00 0.91 C ATOM 1772 CG PRO A 97 12.725 -13.512 -1.803 1.00 0.98 C ATOM 1773 CD PRO A 97 12.530 -12.222 -2.536 1.00 0.87 C ATOM 0 HA PRO A 97 9.898 -12.857 -0.767 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.721 -12.920 0.255 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.682 -14.286 -0.101 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.784 -13.730 -1.667 1.00 0.98 H new ATOM 0 HG3 PRO A 97 12.297 -14.347 -2.358 1.00 0.98 H new ATOM 0 HD2 PRO A 97 13.295 -11.489 -2.279 1.00 0.87 H new ATOM 0 HD3 PRO A 97 12.570 -12.359 -3.617 1.00 0.87 H new ATOM 1781 N ASN A 98 10.929 -10.053 -0.094 1.00 0.57 N ATOM 1782 CA ASN A 98 10.852 -8.915 0.808 1.00 0.55 C ATOM 1783 C ASN A 98 10.144 -7.753 0.121 1.00 0.46 C ATOM 1784 O ASN A 98 10.352 -6.592 0.476 1.00 0.50 O ATOM 1785 CB ASN A 98 12.246 -8.467 1.267 1.00 0.68 C ATOM 1786 CG ASN A 98 12.930 -9.482 2.161 1.00 1.38 C ATOM 1787 OD1 ASN A 98 12.736 -9.482 3.375 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.751 -10.336 1.570 1.00 1.91 N ATOM 0 H ASN A 98 11.097 -9.799 -1.067 1.00 0.57 H new ATOM 0 HA ASN A 98 10.286 -9.224 1.687 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.869 -8.284 0.392 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.160 -7.521 1.801 1.00 0.68 H new ATOM 0 HD21 ASN A 98 14.252 -11.029 2.126 1.00 1.91 H new ATOM 0 HD22 ASN A 98 13.882 -10.301 0.559 1.00 1.91 H new ATOM 1795 N THR A 99 9.311 -8.065 -0.869 1.00 0.43 N ATOM 1796 CA THR A 99 8.575 -7.034 -1.594 1.00 0.39 C ATOM 1797 C THR A 99 7.256 -7.569 -2.159 1.00 0.33 C ATOM 1798 O THR A 99 7.240 -8.363 -3.104 1.00 0.37 O ATOM 1799 CB THR A 99 9.416 -6.442 -2.744 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.660 -5.948 -2.231 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.665 -5.312 -3.438 1.00 0.51 C ATOM 0 H THR A 99 9.130 -9.018 -1.186 1.00 0.43 H new ATOM 0 HA THR A 99 8.355 -6.248 -0.872 1.00 0.39 H new ATOM 0 HB THR A 99 9.607 -7.231 -3.472 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.191 -5.575 -2.965 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.277 -4.910 -4.245 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.730 -5.694 -3.848 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.450 -4.522 -2.718 1.00 0.51 H new ATOM 1809 N LEU A 100 6.160 -7.133 -1.554 1.00 0.28 N ATOM 1810 CA LEU A 100 4.823 -7.389 -2.075 1.00 0.26 C ATOM 1811 C LEU A 100 4.531 -6.346 -3.148 1.00 0.27 C ATOM 1812 O LEU A 100 5.079 -5.255 -3.091 1.00 0.34 O ATOM 1813 CB LEU A 100 3.794 -7.254 -0.943 1.00 0.28 C ATOM 1814 CG LEU A 100 2.669 -8.294 -0.902 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.655 -7.915 0.163 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.983 -8.434 -2.251 1.00 1.10 C ATOM 0 H LEU A 100 6.172 -6.592 -0.689 1.00 0.28 H new ATOM 0 HA LEU A 100 4.764 -8.395 -2.490 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.327 -7.293 0.007 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.340 -6.266 -1.013 1.00 0.28 H new ATOM 0 HG LEU A 100 3.113 -9.259 -0.656 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.858 -8.658 0.187 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.146 -7.877 1.136 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.233 -6.937 -0.068 1.00 1.10 H new ATOM 0 HD21 LEU A 100 1.192 -9.180 -2.181 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.553 -7.475 -2.542 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.712 -8.747 -2.999 1.00 1.10 H new ATOM 1828 N THR A 101 3.701 -6.653 -4.128 1.00 0.29 N ATOM 1829 CA THR A 101 3.327 -5.653 -5.112 1.00 0.31 C ATOM 1830 C THR A 101 1.817 -5.577 -5.284 1.00 0.30 C ATOM 1831 O THR A 101 1.135 -6.601 -5.332 1.00 0.31 O ATOM 1832 CB THR A 101 3.987 -5.921 -6.479 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.821 -7.295 -6.860 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.463 -5.576 -6.438 1.00 0.41 C ATOM 0 H THR A 101 3.279 -7.571 -4.264 1.00 0.29 H new ATOM 0 HA THR A 101 3.688 -4.697 -4.733 1.00 0.31 H new ATOM 0 HB THR A 101 3.497 -5.287 -7.218 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.420 -7.794 -6.118 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.910 -5.772 -7.413 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.583 -4.522 -6.190 1.00 0.41 H new ATOM 0 HG23 THR A 101 5.958 -6.186 -5.682 1.00 0.41 H new ATOM 1842 N GLU A 102 1.306 -4.354 -5.342 1.00 0.31 N ATOM 1843 CA GLU A 102 -0.104 -4.118 -5.625 1.00 0.33 C ATOM 1844 C GLU A 102 -0.241 -3.317 -6.906 1.00 0.35 C ATOM 1845 O GLU A 102 -0.016 -2.103 -6.916 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.798 -3.356 -4.487 1.00 0.39 C ATOM 1847 CG GLU A 102 -2.288 -3.151 -4.744 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.917 -2.057 -3.900 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -2.842 -2.153 -2.653 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.473 -1.091 -4.471 1.00 0.98 O ATOM 0 H GLU A 102 1.851 -3.505 -5.196 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.584 -5.091 -5.728 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.666 -3.904 -3.554 1.00 0.39 H new ATOM 0 HB3 GLU A 102 -0.318 -2.386 -4.358 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.435 -2.912 -5.797 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.811 -4.088 -4.554 1.00 0.56 H new ATOM 1857 N THR A 103 -0.601 -3.982 -7.985 1.00 0.36 N ATOM 1858 CA THR A 103 -0.831 -3.302 -9.240 1.00 0.39 C ATOM 1859 C THR A 103 -2.267 -2.803 -9.274 1.00 0.39 C ATOM 1860 O THR A 103 -3.202 -3.574 -9.487 1.00 0.42 O ATOM 1861 CB THR A 103 -0.568 -4.231 -10.440 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.745 -4.793 -10.332 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.689 -3.470 -11.754 1.00 0.46 C ATOM 0 H THR A 103 -0.740 -4.992 -8.017 1.00 0.36 H new ATOM 0 HA THR A 103 -0.139 -2.463 -9.315 1.00 0.39 H new ATOM 0 HB THR A 103 -1.314 -5.026 -10.431 1.00 0.43 H new ATOM 0 HG1 THR A 103 0.911 -5.385 -11.095 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.499 -4.148 -12.586 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.694 -3.058 -11.844 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.039 -2.659 -11.773 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.440 -1.517 -9.029 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.768 -0.947 -8.948 1.00 0.45 C ATOM 1873 C HIS A 104 -4.106 -0.184 -10.224 1.00 0.40 C ATOM 1874 O HIS A 104 -3.595 0.912 -10.480 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.938 -0.078 -7.687 1.00 0.70 C ATOM 1876 CG HIS A 104 -2.868 0.944 -7.434 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -3.085 2.301 -7.555 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -1.594 0.808 -6.995 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -1.995 2.953 -7.197 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -1.074 2.073 -6.856 1.00 1.69 N ATOM 0 H HIS A 104 -1.680 -0.852 -8.884 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.482 -1.765 -8.857 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -4.895 0.439 -7.754 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -3.992 -0.738 -6.821 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -1.082 -0.121 -6.792 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -1.877 4.026 -7.185 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -0.130 2.295 -6.541 1.00 1.69 H new ATOM 1889 N ILE A 105 -4.976 -0.798 -11.016 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.343 -0.292 -12.326 1.00 0.52 C ATOM 1891 C ILE A 105 -6.663 0.461 -12.288 1.00 0.54 C ATOM 1892 O ILE A 105 -7.689 -0.083 -11.870 1.00 0.55 O ATOM 1893 CB ILE A 105 -5.449 -1.446 -13.348 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -4.053 -1.964 -13.696 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -6.211 -1.021 -14.604 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -4.038 -2.926 -14.858 1.00 0.75 C ATOM 0 H ILE A 105 -5.448 -1.666 -10.763 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.557 0.398 -12.632 1.00 0.52 H new ATOM 0 HB ILE A 105 -6.019 -2.255 -12.891 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -3.408 -1.117 -13.928 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.629 -2.457 -12.821 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -6.264 -1.859 -15.298 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -7.220 -0.712 -14.330 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -5.693 -0.188 -15.080 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -3.015 -3.252 -15.048 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -4.656 -3.792 -14.622 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -4.432 -2.431 -15.746 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.624 1.724 -12.690 1.00 0.59 N ATOM 1909 CA LYS A 106 -7.839 2.502 -12.866 1.00 0.63 C ATOM 1910 C LYS A 106 -8.715 1.892 -13.948 1.00 0.67 C ATOM 1911 O LYS A 106 -8.347 1.868 -15.119 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.517 3.952 -13.225 1.00 0.73 C ATOM 1913 CG LYS A 106 -6.953 4.761 -12.071 1.00 0.81 C ATOM 1914 CD LYS A 106 -6.778 6.215 -12.467 1.00 1.05 C ATOM 1915 CE LYS A 106 -6.406 7.086 -11.281 1.00 1.47 C ATOM 1916 NZ LYS A 106 -6.325 8.519 -11.659 1.00 1.61 N ATOM 0 H LYS A 106 -5.764 2.230 -12.900 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.378 2.488 -11.919 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -6.801 3.962 -14.047 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.424 4.437 -13.586 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.620 4.691 -11.212 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -5.993 4.345 -11.764 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.004 6.292 -13.231 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -7.702 6.583 -12.912 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -7.145 6.959 -10.490 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -5.447 6.761 -10.877 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -5.892 9.059 -10.883 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -5.745 8.620 -12.516 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -7.281 8.884 -11.843 1.00 1.61 H new ATOM 1930 N VAL A 107 -9.859 1.380 -13.532 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.833 0.819 -14.466 1.00 0.78 C ATOM 1932 C VAL A 107 -11.381 1.882 -15.422 1.00 0.86 C ATOM 1933 O VAL A 107 -11.942 1.559 -16.468 1.00 0.92 O ATOM 1934 CB VAL A 107 -12.001 0.155 -13.739 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.552 -1.130 -13.067 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.574 1.123 -12.740 1.00 1.11 C ATOM 0 H VAL A 107 -10.142 1.339 -12.553 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.298 0.064 -15.042 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.776 -0.109 -14.458 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.398 -1.588 -12.555 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -11.167 -1.819 -13.819 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -10.767 -0.907 -12.344 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.408 0.655 -12.217 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -11.804 1.401 -12.020 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -12.925 2.015 -13.258 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.229 3.147 -15.045 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.668 4.258 -15.883 1.00 1.00 C ATOM 1948 C ASP A 108 -10.733 4.420 -17.074 1.00 0.97 C ATOM 1949 O ASP A 108 -11.170 4.582 -18.213 1.00 1.06 O ATOM 1950 CB ASP A 108 -11.704 5.556 -15.071 1.00 1.05 C ATOM 1951 CG ASP A 108 -12.175 6.738 -15.892 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -11.317 7.468 -16.439 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -13.401 6.947 -16.000 1.00 2.50 O ATOM 0 H ASP A 108 -10.804 3.429 -14.162 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.672 4.041 -16.246 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -12.364 5.427 -14.213 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -10.709 5.763 -14.678 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.442 4.352 -16.791 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.411 4.442 -17.808 1.00 0.92 C ATOM 1960 C ASP A 109 -7.188 3.674 -17.343 1.00 0.84 C ATOM 1961 O ASP A 109 -6.422 4.139 -16.497 1.00 0.85 O ATOM 1962 CB ASP A 109 -8.033 5.892 -18.109 1.00 1.03 C ATOM 1963 CG ASP A 109 -6.908 5.975 -19.121 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -5.731 5.993 -18.708 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -7.193 6.005 -20.337 1.00 1.94 O ATOM 0 H ASP A 109 -9.080 4.232 -15.845 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.801 4.009 -18.729 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.905 6.425 -18.488 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -7.732 6.389 -17.187 1.00 1.03 H new ATOM 1970 N PRO A 110 -7.010 2.472 -17.883 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.946 1.559 -17.472 1.00 0.78 C ATOM 1972 C PRO A 110 -4.551 1.956 -17.963 1.00 0.86 C ATOM 1973 O PRO A 110 -3.650 1.118 -18.020 1.00 0.90 O ATOM 1974 CB PRO A 110 -6.380 0.237 -18.096 1.00 0.80 C ATOM 1975 CG PRO A 110 -7.136 0.638 -19.310 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.866 1.888 -18.926 1.00 0.83 C ATOM 0 HA PRO A 110 -5.837 1.541 -16.388 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.521 -0.385 -18.349 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -7.002 -0.341 -17.412 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -6.465 0.817 -20.150 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.830 -0.144 -19.617 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.983 2.562 -19.774 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.866 1.671 -18.551 1.00 0.83 H new ATOM 1984 N THR A 111 -4.360 3.219 -18.328 1.00 0.93 N ATOM 1985 CA THR A 111 -3.026 3.706 -18.641 1.00 1.05 C ATOM 1986 C THR A 111 -2.575 4.737 -17.613 1.00 0.94 C ATOM 1987 O THR A 111 -1.413 5.147 -17.591 1.00 0.98 O ATOM 1988 CB THR A 111 -2.934 4.291 -20.064 1.00 1.30 C ATOM 1989 OG1 THR A 111 -3.785 5.436 -20.217 1.00 1.33 O ATOM 1990 CG2 THR A 111 -3.321 3.241 -21.084 1.00 1.47 C ATOM 0 H THR A 111 -5.102 3.914 -18.413 1.00 0.93 H new ATOM 0 HA THR A 111 -2.357 2.847 -18.601 1.00 1.05 H new ATOM 0 HB THR A 111 -1.902 4.603 -20.226 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.304 5.570 -19.397 1.00 1.33 H new ATOM 0 HG21 THR A 111 -3.253 3.665 -22.086 1.00 1.47 H new ATOM 0 HG22 THR A 111 -2.646 2.389 -21.003 1.00 1.47 H new ATOM 0 HG23 THR A 111 -4.344 2.912 -20.898 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.498 5.124 -16.743 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.203 6.071 -15.670 1.00 0.86 C ATOM 2000 C ASP A 112 -3.036 5.309 -14.355 1.00 0.79 C ATOM 2001 O ASP A 112 -3.289 5.822 -13.265 1.00 1.18 O ATOM 2002 CB ASP A 112 -4.339 7.097 -15.554 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.984 8.283 -14.675 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -4.497 8.368 -13.541 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -3.192 9.140 -15.117 1.00 1.40 O ATOM 0 H ASP A 112 -4.464 4.796 -16.758 1.00 0.86 H new ATOM 0 HA ASP A 112 -2.278 6.602 -15.894 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.599 7.456 -16.550 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -5.224 6.606 -15.151 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.585 4.072 -14.482 1.00 0.66 N ATOM 2011 CA VAL A 113 -2.504 3.148 -13.366 1.00 0.68 C ATOM 2012 C VAL A 113 -1.242 3.366 -12.546 1.00 0.60 C ATOM 2013 O VAL A 113 -0.484 4.299 -12.800 1.00 0.79 O ATOM 2014 CB VAL A 113 -2.524 1.702 -13.880 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -3.750 1.477 -14.739 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -1.260 1.383 -14.664 1.00 1.23 C ATOM 0 H VAL A 113 -2.264 3.680 -15.367 1.00 0.66 H new ATOM 0 HA VAL A 113 -3.367 3.332 -12.726 1.00 0.68 H new ATOM 0 HB VAL A 113 -2.563 1.032 -13.021 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -3.757 0.449 -15.100 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -4.647 1.660 -14.148 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -3.729 2.160 -15.588 1.00 1.60 H new ATOM 0 HG21 VAL A 113 -1.301 0.352 -15.016 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -1.182 2.056 -15.518 1.00 1.23 H new ATOM 0 HG23 VAL A 113 -0.390 1.512 -14.020 1.00 1.23 H new ATOM 2026 N GLU A 114 -1.034 2.502 -11.558 1.00 0.45 N ATOM 2027 CA GLU A 114 0.187 2.524 -10.767 1.00 0.47 C ATOM 2028 C GLU A 114 0.311 1.258 -9.934 1.00 0.44 C ATOM 2029 O GLU A 114 -0.634 0.474 -9.836 1.00 0.48 O ATOM 2030 CB GLU A 114 0.237 3.753 -9.857 1.00 0.64 C ATOM 2031 CG GLU A 114 1.427 4.659 -10.137 1.00 0.96 C ATOM 2032 CD GLU A 114 2.758 3.941 -10.011 1.00 1.94 C ATOM 2033 OE1 GLU A 114 3.008 2.987 -10.779 1.00 2.78 O ATOM 2034 OE2 GLU A 114 3.556 4.320 -9.138 1.00 2.10 O ATOM 0 H GLU A 114 -1.698 1.777 -11.287 1.00 0.45 H new ATOM 0 HA GLU A 114 1.026 2.575 -11.460 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -0.683 4.325 -9.979 1.00 0.64 H new ATOM 0 HB3 GLU A 114 0.274 3.426 -8.818 1.00 0.64 H new ATOM 0 HG2 GLU A 114 1.335 5.070 -11.142 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.407 5.501 -9.445 1.00 0.96 H new ATOM 2041 N THR A 115 1.472 1.072 -9.329 1.00 0.45 N ATOM 2042 CA THR A 115 1.744 -0.103 -8.524 1.00 0.45 C ATOM 2043 C THR A 115 2.443 0.274 -7.217 1.00 0.44 C ATOM 2044 O THR A 115 3.393 1.057 -7.213 1.00 0.51 O ATOM 2045 CB THR A 115 2.618 -1.108 -9.310 1.00 0.49 C ATOM 2046 OG1 THR A 115 1.960 -1.473 -10.530 1.00 0.53 O ATOM 2047 CG2 THR A 115 2.901 -2.362 -8.497 1.00 0.53 C ATOM 0 H THR A 115 2.249 1.730 -9.383 1.00 0.45 H new ATOM 0 HA THR A 115 0.788 -0.569 -8.285 1.00 0.45 H new ATOM 0 HB THR A 115 3.569 -0.621 -9.527 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.518 -2.108 -11.025 1.00 0.53 H new ATOM 0 HG21 THR A 115 3.518 -3.044 -9.083 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.428 -2.091 -7.582 1.00 0.53 H new ATOM 0 HG23 THR A 115 1.960 -2.851 -8.243 1.00 0.53 H new ATOM 2055 N TYR A 116 1.954 -0.277 -6.114 1.00 0.41 N ATOM 2056 CA TYR A 116 2.631 -0.138 -4.830 1.00 0.43 C ATOM 2057 C TYR A 116 3.562 -1.328 -4.674 1.00 0.38 C ATOM 2058 O TYR A 116 3.264 -2.401 -5.202 1.00 0.39 O ATOM 2059 CB TYR A 116 1.645 -0.149 -3.652 1.00 0.54 C ATOM 2060 CG TYR A 116 0.557 0.904 -3.681 1.00 0.57 C ATOM 2061 CD1 TYR A 116 0.860 2.254 -3.766 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.779 0.541 -3.582 1.00 0.80 C ATOM 2063 CE1 TYR A 116 -0.136 3.212 -3.758 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.780 1.492 -3.578 1.00 0.91 C ATOM 2065 CZ TYR A 116 -1.453 2.826 -3.665 1.00 0.80 C ATOM 2066 OH TYR A 116 -2.446 3.774 -3.661 1.00 0.96 O ATOM 0 H TYR A 116 1.093 -0.823 -6.082 1.00 0.41 H new ATOM 0 HA TYR A 116 3.161 0.814 -4.818 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.171 -1.130 -3.611 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.213 -0.030 -2.729 1.00 0.54 H new ATOM 0 HD1 TYR A 116 1.892 2.562 -3.840 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -1.040 -0.504 -3.507 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.119 4.259 -3.824 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -2.815 1.190 -3.507 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.947 3.726 -4.502 1.00 0.96 H new ATOM 2076 N GLU A 117 4.666 -1.186 -3.956 1.00 0.37 N ATOM 2077 CA GLU A 117 5.530 -2.319 -3.688 1.00 0.35 C ATOM 2078 C GLU A 117 5.835 -2.326 -2.195 1.00 0.34 C ATOM 2079 O GLU A 117 6.668 -1.557 -1.718 1.00 0.44 O ATOM 2080 CB GLU A 117 6.842 -2.247 -4.484 1.00 0.44 C ATOM 2081 CG GLU A 117 6.667 -2.028 -5.980 1.00 0.92 C ATOM 2082 CD GLU A 117 7.962 -2.235 -6.742 1.00 0.83 C ATOM 2083 OE1 GLU A 117 8.815 -1.324 -6.728 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.130 -3.303 -7.371 1.00 1.18 O ATOM 0 H GLU A 117 4.981 -0.304 -3.553 1.00 0.37 H new ATOM 0 HA GLU A 117 5.022 -3.233 -3.995 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.452 -1.438 -4.081 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.397 -3.172 -4.328 1.00 0.44 H new ATOM 0 HG2 GLU A 117 5.910 -2.713 -6.360 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.300 -1.017 -6.158 1.00 0.92 H new ATOM 2091 N TYR A 118 5.129 -3.162 -1.459 1.00 0.29 N ATOM 2092 CA TYR A 118 5.248 -3.199 -0.014 1.00 0.29 C ATOM 2093 C TYR A 118 6.472 -4.000 0.404 1.00 0.31 C ATOM 2094 O TYR A 118 6.439 -5.231 0.448 1.00 0.41 O ATOM 2095 CB TYR A 118 3.990 -3.806 0.603 1.00 0.32 C ATOM 2096 CG TYR A 118 2.723 -3.069 0.240 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.359 -1.913 0.914 1.00 0.50 C ATOM 2098 CD2 TYR A 118 1.883 -3.529 -0.768 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.202 -1.241 0.593 1.00 0.58 C ATOM 2100 CE2 TYR A 118 0.731 -2.860 -1.091 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.395 -1.722 -0.408 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.749 -1.064 -0.739 1.00 0.60 O ATOM 0 H TYR A 118 4.461 -3.831 -1.842 1.00 0.29 H new ATOM 0 HA TYR A 118 5.363 -2.177 0.347 1.00 0.29 H new ATOM 0 HB2 TYR A 118 3.902 -4.844 0.281 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.096 -3.817 1.688 1.00 0.32 H new ATOM 0 HD1 TYR A 118 2.993 -1.535 1.702 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.143 -4.429 -1.306 1.00 0.47 H new ATOM 0 HE1 TYR A 118 0.931 -0.341 1.125 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.092 -3.229 -1.880 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.628 -0.611 -1.600 1.00 0.60 H new ATOM 2112 N ARG A 119 7.552 -3.299 0.685 1.00 0.31 N ATOM 2113 CA ARG A 119 8.772 -3.937 1.142 1.00 0.35 C ATOM 2114 C ARG A 119 8.930 -3.754 2.641 1.00 0.35 C ATOM 2115 O ARG A 119 8.352 -2.839 3.230 1.00 0.42 O ATOM 2116 CB ARG A 119 9.992 -3.360 0.429 1.00 0.46 C ATOM 2117 CG ARG A 119 10.206 -1.891 0.719 1.00 1.14 C ATOM 2118 CD ARG A 119 11.678 -1.529 0.705 1.00 1.30 C ATOM 2119 NE ARG A 119 12.296 -1.787 -0.593 1.00 1.83 N ATOM 2120 CZ ARG A 119 13.538 -1.427 -0.913 1.00 2.50 C ATOM 2121 NH1 ARG A 119 14.292 -0.768 -0.039 1.00 2.76 N ATOM 2122 NH2 ARG A 119 14.023 -1.730 -2.107 1.00 3.41 N ATOM 0 H ARG A 119 7.610 -2.284 0.605 1.00 0.31 H new ATOM 0 HA ARG A 119 8.701 -5.000 0.910 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.879 -3.917 0.730 1.00 0.46 H new ATOM 0 HB3 ARG A 119 9.878 -3.500 -0.646 1.00 0.46 H new ATOM 0 HG2 ARG A 119 9.676 -1.292 -0.022 1.00 1.14 H new ATOM 0 HG3 ARG A 119 9.779 -1.645 1.692 1.00 1.14 H new ATOM 0 HD2 ARG A 119 11.794 -0.475 0.958 1.00 1.30 H new ATOM 0 HD3 ARG A 119 12.199 -2.100 1.474 1.00 1.30 H new ATOM 0 HE ARG A 119 11.742 -2.273 -1.298 1.00 1.83 H new ATOM 0 HH11 ARG A 119 13.920 -0.536 0.882 1.00 2.76 H new ATOM 0 HH12 ARG A 119 15.242 -0.495 -0.289 1.00 2.76 H new ATOM 0 HH21 ARG A 119 13.446 -2.237 -2.778 1.00 3.41 H new ATOM 0 HH22 ARG A 119 14.973 -1.456 -2.356 1.00 3.41 H new ATOM 2136 N ARG A 120 9.706 -4.621 3.258 1.00 0.36 N ATOM 2137 CA ARG A 120 9.994 -4.497 4.672 1.00 0.41 C ATOM 2138 C ARG A 120 11.437 -4.062 4.860 1.00 0.46 C ATOM 2139 O ARG A 120 12.365 -4.792 4.510 1.00 0.63 O ATOM 2140 CB ARG A 120 9.745 -5.825 5.393 1.00 0.49 C ATOM 2141 CG ARG A 120 9.905 -5.747 6.903 1.00 1.06 C ATOM 2142 CD ARG A 120 8.787 -4.946 7.550 1.00 0.97 C ATOM 2143 NE ARG A 120 8.949 -4.871 9.002 1.00 1.27 N ATOM 2144 CZ ARG A 120 7.935 -4.826 9.866 1.00 1.56 C ATOM 2145 NH1 ARG A 120 6.684 -4.850 9.427 1.00 1.62 N ATOM 2146 NH2 ARG A 120 8.170 -4.774 11.169 1.00 1.96 N ATOM 0 H ARG A 120 10.149 -5.419 2.803 1.00 0.36 H new ATOM 0 HA ARG A 120 9.331 -3.746 5.102 1.00 0.41 H new ATOM 0 HB2 ARG A 120 8.737 -6.169 5.162 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.435 -6.574 5.003 1.00 0.49 H new ATOM 0 HG2 ARG A 120 9.918 -6.754 7.319 1.00 1.06 H new ATOM 0 HG3 ARG A 120 10.865 -5.290 7.143 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.771 -3.939 7.133 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.827 -5.404 7.314 1.00 0.97 H new ATOM 0 HE ARG A 120 9.897 -4.852 9.377 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.496 -4.903 8.426 1.00 1.62 H new ATOM 0 HH12 ARG A 120 5.910 -4.815 10.090 1.00 1.62 H new ATOM 0 HH21 ARG A 120 9.130 -4.768 11.514 1.00 1.96 H new ATOM 0 HH22 ARG A 120 7.391 -4.740 11.827 1.00 1.96 H new ATOM 2160 N ASP A 121 11.624 -2.865 5.387 1.00 0.49 N ATOM 2161 CA ASP A 121 12.960 -2.342 5.620 1.00 0.59 C ATOM 2162 C ASP A 121 13.190 -2.197 7.115 1.00 0.66 C ATOM 2163 O ASP A 121 13.052 -1.111 7.684 1.00 1.08 O ATOM 2164 CB ASP A 121 13.148 -1.002 4.900 1.00 0.67 C ATOM 2165 CG ASP A 121 14.602 -0.568 4.833 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.393 -1.240 4.138 1.00 0.96 O ATOM 2167 OD2 ASP A 121 14.955 0.457 5.446 1.00 0.88 O ATOM 0 H ASP A 121 10.869 -2.237 5.662 1.00 0.49 H new ATOM 0 HA ASP A 121 13.696 -3.038 5.216 1.00 0.59 H new ATOM 0 HB2 ASP A 121 12.750 -1.080 3.888 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.568 -0.235 5.413 1.00 0.67 H new ATOM 2172 N GLY A 122 13.498 -3.315 7.754 1.00 0.73 N ATOM 2173 CA GLY A 122 13.694 -3.321 9.185 1.00 0.83 C ATOM 2174 C GLY A 122 12.381 -3.388 9.927 1.00 0.78 C ATOM 2175 O GLY A 122 11.596 -4.317 9.734 1.00 0.92 O ATOM 0 H GLY A 122 13.616 -4.222 7.303 1.00 0.73 H new ATOM 0 HA2 GLY A 122 14.314 -4.173 9.464 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.235 -2.423 9.482 1.00 0.83 H new ATOM 2179 N ASP A 123 12.124 -2.392 10.757 1.00 0.70 N ATOM 2180 CA ASP A 123 10.891 -2.353 11.531 1.00 0.78 C ATOM 2181 C ASP A 123 9.831 -1.555 10.799 1.00 0.64 C ATOM 2182 O ASP A 123 8.723 -1.365 11.303 1.00 0.75 O ATOM 2183 CB ASP A 123 11.129 -1.736 12.910 1.00 0.98 C ATOM 2184 CG ASP A 123 12.035 -2.578 13.776 1.00 1.67 C ATOM 2185 OD1 ASP A 123 11.564 -3.597 14.319 1.00 2.17 O ATOM 2186 OD2 ASP A 123 13.221 -2.220 13.922 1.00 2.31 O ATOM 0 H ASP A 123 12.749 -1.601 10.913 1.00 0.70 H new ATOM 0 HA ASP A 123 10.547 -3.379 11.659 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.566 -0.745 12.790 1.00 0.98 H new ATOM 0 HB3 ASP A 123 10.172 -1.603 13.414 1.00 0.98 H new ATOM 2191 N TYR A 124 10.168 -1.089 9.610 1.00 0.48 N ATOM 2192 CA TYR A 124 9.274 -0.230 8.866 1.00 0.36 C ATOM 2193 C TYR A 124 8.763 -0.913 7.615 1.00 0.33 C ATOM 2194 O TYR A 124 9.533 -1.487 6.840 1.00 0.39 O ATOM 2195 CB TYR A 124 9.976 1.084 8.510 1.00 0.32 C ATOM 2196 CG TYR A 124 10.263 1.932 9.722 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.453 1.802 10.422 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.326 2.841 10.185 1.00 0.49 C ATOM 2199 CE1 TYR A 124 11.701 2.554 11.552 1.00 0.53 C ATOM 2200 CE2 TYR A 124 9.566 3.602 11.311 1.00 0.58 C ATOM 2201 CZ TYR A 124 10.753 3.453 11.993 1.00 0.56 C ATOM 2202 OH TYR A 124 10.987 4.197 13.124 1.00 0.67 O ATOM 0 H TYR A 124 11.052 -1.292 9.143 1.00 0.48 H new ATOM 0 HA TYR A 124 8.414 -0.012 9.499 1.00 0.36 H new ATOM 0 HB2 TYR A 124 10.911 0.865 7.995 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.354 1.648 7.815 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.198 1.100 10.077 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.392 2.956 9.656 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.632 2.439 12.088 1.00 0.53 H new ATOM 0 HE2 TYR A 124 8.827 4.310 11.655 1.00 0.58 H new ATOM 0 HH TYR A 124 10.220 4.782 13.295 1.00 0.67 H new ATOM 2212 N LEU A 125 7.454 -0.875 7.447 1.00 0.30 N ATOM 2213 CA LEU A 125 6.828 -1.285 6.214 1.00 0.30 C ATOM 2214 C LEU A 125 6.981 -0.125 5.249 1.00 0.27 C ATOM 2215 O LEU A 125 6.451 0.958 5.482 1.00 0.31 O ATOM 2216 CB LEU A 125 5.346 -1.625 6.479 1.00 0.36 C ATOM 2217 CG LEU A 125 4.520 -2.199 5.309 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.093 -1.111 4.333 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.294 -3.282 4.583 1.00 0.88 C ATOM 0 H LEU A 125 6.800 -0.559 8.163 1.00 0.30 H new ATOM 0 HA LEU A 125 7.287 -2.179 5.793 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.308 -2.342 7.299 1.00 0.36 H new ATOM 0 HB3 LEU A 125 4.851 -0.718 6.825 1.00 0.36 H new ATOM 0 HG LEU A 125 3.618 -2.638 5.735 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.514 -1.555 3.524 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.482 -0.374 4.854 1.00 1.03 H new ATOM 0 HD13 LEU A 125 4.977 -0.624 3.922 1.00 1.03 H new ATOM 0 HD21 LEU A 125 4.692 -3.672 3.762 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.220 -2.864 4.187 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.528 -4.090 5.277 1.00 0.88 H new ATOM 2231 N VAL A 126 7.716 -0.331 4.182 1.00 0.29 N ATOM 2232 CA VAL A 126 8.085 0.774 3.329 1.00 0.34 C ATOM 2233 C VAL A 126 7.352 0.693 2.008 1.00 0.36 C ATOM 2234 O VAL A 126 7.441 -0.303 1.287 1.00 0.43 O ATOM 2235 CB VAL A 126 9.609 0.842 3.089 1.00 0.41 C ATOM 2236 CG1 VAL A 126 9.961 1.981 2.142 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.344 1.006 4.411 1.00 0.47 C ATOM 0 H VAL A 126 8.067 -1.242 3.886 1.00 0.29 H new ATOM 0 HA VAL A 126 7.794 1.688 3.846 1.00 0.34 H new ATOM 0 HB VAL A 126 9.923 -0.093 2.626 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.040 2.007 1.990 1.00 0.46 H new ATOM 0 HG12 VAL A 126 9.463 1.826 1.185 1.00 0.46 H new ATOM 0 HG13 VAL A 126 9.632 2.927 2.573 1.00 0.46 H new ATOM 0 HG21 VAL A 126 11.417 1.053 4.227 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.019 1.926 4.896 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.123 0.157 5.058 1.00 0.47 H new ATOM 2247 N MET A 127 6.607 1.737 1.717 1.00 0.38 N ATOM 2248 CA MET A 127 5.925 1.847 0.451 1.00 0.46 C ATOM 2249 C MET A 127 6.918 2.239 -0.617 1.00 0.33 C ATOM 2250 O MET A 127 7.585 3.269 -0.513 1.00 0.33 O ATOM 2251 CB MET A 127 4.803 2.877 0.519 1.00 0.65 C ATOM 2252 CG MET A 127 4.225 3.227 -0.839 1.00 0.87 C ATOM 2253 SD MET A 127 3.423 1.826 -1.625 1.00 1.08 S ATOM 2254 CE MET A 127 1.984 1.666 -0.578 1.00 0.66 C ATOM 0 H MET A 127 6.459 2.526 2.347 1.00 0.38 H new ATOM 0 HA MET A 127 5.481 0.881 0.209 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.007 2.494 1.157 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.181 3.785 0.990 1.00 0.65 H new ATOM 0 HG2 MET A 127 3.505 4.038 -0.726 1.00 0.87 H new ATOM 0 HG3 MET A 127 5.021 3.596 -1.485 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.293 0.946 -1.016 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.289 1.321 0.410 1.00 0.66 H new ATOM 0 HE3 MET A 127 1.490 2.634 -0.488 1.00 0.66 H new ATOM 2264 N LYS A 128 7.014 1.413 -1.632 1.00 0.33 N ATOM 2265 CA LYS A 128 7.920 1.647 -2.729 1.00 0.35 C ATOM 2266 C LYS A 128 7.102 1.852 -3.991 1.00 0.35 C ATOM 2267 O LYS A 128 6.485 0.922 -4.505 1.00 0.44 O ATOM 2268 CB LYS A 128 8.877 0.456 -2.861 1.00 0.55 C ATOM 2269 CG LYS A 128 9.539 0.328 -4.220 1.00 0.82 C ATOM 2270 CD LYS A 128 10.590 1.398 -4.462 1.00 0.99 C ATOM 2271 CE LYS A 128 11.056 1.374 -5.911 1.00 1.42 C ATOM 2272 NZ LYS A 128 11.316 -0.011 -6.389 1.00 2.20 N ATOM 0 H LYS A 128 6.464 0.558 -1.720 1.00 0.33 H new ATOM 0 HA LYS A 128 8.523 2.539 -2.555 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.653 0.543 -2.100 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.326 -0.461 -2.651 1.00 0.55 H new ATOM 0 HG2 LYS A 128 10.001 -0.655 -4.303 1.00 0.82 H new ATOM 0 HG3 LYS A 128 8.778 0.389 -4.998 1.00 0.82 H new ATOM 0 HD2 LYS A 128 10.180 2.379 -4.223 1.00 0.99 H new ATOM 0 HD3 LYS A 128 11.440 1.237 -3.798 1.00 0.99 H new ATOM 0 HE2 LYS A 128 10.300 1.840 -6.543 1.00 1.42 H new ATOM 0 HE3 LYS A 128 11.964 1.968 -6.010 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 11.849 0.024 -7.281 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 11.869 -0.526 -5.675 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 10.411 -0.500 -6.545 1.00 2.20 H new ATOM 2286 N MET A 129 7.057 3.081 -4.462 1.00 0.36 N ATOM 2287 CA MET A 129 6.246 3.408 -5.617 1.00 0.41 C ATOM 2288 C MET A 129 7.031 4.313 -6.556 1.00 0.35 C ATOM 2289 O MET A 129 7.741 5.213 -6.106 1.00 0.40 O ATOM 2290 CB MET A 129 4.942 4.070 -5.152 1.00 0.49 C ATOM 2291 CG MET A 129 3.899 4.214 -6.245 1.00 1.02 C ATOM 2292 SD MET A 129 2.231 4.473 -5.604 1.00 1.11 S ATOM 2293 CE MET A 129 2.430 5.995 -4.683 1.00 0.50 C ATOM 0 H MET A 129 7.570 3.868 -4.065 1.00 0.36 H new ATOM 0 HA MET A 129 5.990 2.501 -6.165 1.00 0.41 H new ATOM 0 HB2 MET A 129 4.520 3.484 -4.336 1.00 0.49 H new ATOM 0 HB3 MET A 129 5.171 5.057 -4.750 1.00 0.49 H new ATOM 0 HG2 MET A 129 4.169 5.052 -6.888 1.00 1.02 H new ATOM 0 HG3 MET A 129 3.908 3.319 -6.867 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.374 5.784 -3.615 1.00 0.50 H new ATOM 0 HE2 MET A 129 3.399 6.437 -4.915 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.639 6.692 -4.957 1.00 0.50 H new ATOM 2303 N SER A 130 6.938 4.052 -7.850 1.00 0.34 N ATOM 2304 CA SER A 130 7.702 4.811 -8.824 1.00 0.33 C ATOM 2305 C SER A 130 6.916 5.044 -10.104 1.00 0.33 C ATOM 2306 O SER A 130 6.380 4.112 -10.704 1.00 0.38 O ATOM 2307 CB SER A 130 9.023 4.107 -9.132 1.00 0.39 C ATOM 2308 OG SER A 130 8.829 2.725 -9.384 1.00 1.06 O ATOM 0 H SER A 130 6.344 3.324 -8.248 1.00 0.34 H new ATOM 0 HA SER A 130 7.912 5.787 -8.386 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.492 4.574 -9.998 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.708 4.232 -8.293 1.00 0.39 H new ATOM 0 HG SER A 130 7.999 2.598 -9.889 1.00 1.06 H new ATOM 2314 N TRP A 131 6.873 6.295 -10.513 1.00 0.32 N ATOM 2315 CA TRP A 131 6.147 6.699 -11.702 1.00 0.34 C ATOM 2316 C TRP A 131 6.987 7.671 -12.508 1.00 0.34 C ATOM 2317 O TRP A 131 7.513 8.643 -11.963 1.00 0.33 O ATOM 2318 CB TRP A 131 4.811 7.330 -11.298 1.00 0.36 C ATOM 2319 CG TRP A 131 4.015 7.889 -12.436 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.988 9.187 -12.843 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.123 7.178 -13.300 1.00 0.47 C ATOM 2322 NE1 TRP A 131 3.139 9.332 -13.908 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.595 8.112 -14.211 1.00 0.54 C ATOM 2324 CE3 TRP A 131 2.723 5.844 -13.398 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.685 7.756 -15.201 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 1.821 5.491 -14.381 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.310 6.443 -15.272 1.00 0.76 C ATOM 0 H TRP A 131 7.341 7.062 -10.031 1.00 0.32 H new ATOM 0 HA TRP A 131 5.942 5.827 -12.323 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.210 6.579 -10.786 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.003 8.128 -10.580 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.555 9.988 -12.391 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.944 10.206 -14.396 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.112 5.102 -12.717 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.289 8.489 -15.888 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 1.503 4.462 -14.465 1.00 0.73 H new ATOM 0 HH2 TRP A 131 0.606 6.134 -16.030 1.00 0.76 H new ATOM 2338 N LYS A 132 7.125 7.391 -13.801 1.00 0.37 N ATOM 2339 CA LYS A 132 7.929 8.212 -14.699 1.00 0.40 C ATOM 2340 C LYS A 132 9.359 8.376 -14.189 1.00 0.39 C ATOM 2341 O LYS A 132 9.916 9.476 -14.190 1.00 0.42 O ATOM 2342 CB LYS A 132 7.264 9.574 -14.910 1.00 0.44 C ATOM 2343 CG LYS A 132 6.053 9.522 -15.832 1.00 0.68 C ATOM 2344 CD LYS A 132 5.261 10.812 -15.798 1.00 1.22 C ATOM 2345 CE LYS A 132 6.128 12.004 -16.134 1.00 1.43 C ATOM 2346 NZ LYS A 132 6.766 11.879 -17.469 1.00 1.96 N ATOM 0 H LYS A 132 6.684 6.591 -14.254 1.00 0.37 H new ATOM 0 HA LYS A 132 7.987 7.698 -15.659 1.00 0.40 H new ATOM 0 HB2 LYS A 132 6.958 9.974 -13.943 1.00 0.44 H new ATOM 0 HB3 LYS A 132 7.996 10.267 -15.324 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.382 9.325 -16.852 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.409 8.693 -15.539 1.00 0.68 H new ATOM 0 HD2 LYS A 132 4.434 10.751 -16.506 1.00 1.22 H new ATOM 0 HD3 LYS A 132 4.824 10.946 -14.808 1.00 1.22 H new ATOM 0 HE2 LYS A 132 5.523 12.910 -16.107 1.00 1.43 H new ATOM 0 HE3 LYS A 132 6.901 12.114 -15.373 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 7.209 12.783 -17.728 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 7.491 11.134 -17.439 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 6.045 11.632 -18.177 1.00 1.96 H new ATOM 2360 N GLY A 133 9.944 7.270 -13.745 1.00 0.40 N ATOM 2361 CA GLY A 133 11.314 7.281 -13.266 1.00 0.42 C ATOM 2362 C GLY A 133 11.448 7.838 -11.861 1.00 0.40 C ATOM 2363 O GLY A 133 12.501 7.709 -11.234 1.00 0.53 O ATOM 0 H GLY A 133 9.489 6.358 -13.708 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.708 6.265 -13.287 1.00 0.42 H new ATOM 0 HA3 GLY A 133 11.926 7.874 -13.946 1.00 0.42 H new ATOM 2367 N VAL A 134 10.388 8.457 -11.363 1.00 0.35 N ATOM 2368 CA VAL A 134 10.412 9.065 -10.045 1.00 0.34 C ATOM 2369 C VAL A 134 10.005 8.057 -8.982 1.00 0.36 C ATOM 2370 O VAL A 134 8.838 7.673 -8.889 1.00 0.40 O ATOM 2371 CB VAL A 134 9.483 10.293 -9.966 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.590 10.952 -8.603 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.804 11.288 -11.072 1.00 0.43 C ATOM 0 H VAL A 134 9.499 8.551 -11.855 1.00 0.35 H new ATOM 0 HA VAL A 134 11.435 9.394 -9.863 1.00 0.34 H new ATOM 0 HB VAL A 134 8.456 9.954 -10.106 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.928 11.817 -8.564 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.301 10.239 -7.831 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.618 11.274 -8.434 1.00 0.38 H new ATOM 0 HG21 VAL A 134 9.135 12.145 -10.995 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.836 11.623 -10.972 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.670 10.809 -12.042 1.00 0.43 H new ATOM 2383 N SER A 135 10.974 7.617 -8.199 1.00 0.38 N ATOM 2384 CA SER A 135 10.725 6.677 -7.126 1.00 0.42 C ATOM 2385 C SER A 135 10.574 7.397 -5.791 1.00 0.40 C ATOM 2386 O SER A 135 11.290 8.356 -5.503 1.00 0.51 O ATOM 2387 CB SER A 135 11.863 5.663 -7.059 1.00 0.50 C ATOM 2388 OG SER A 135 12.972 6.090 -7.836 1.00 1.14 O ATOM 0 H SER A 135 11.950 7.901 -8.290 1.00 0.38 H new ATOM 0 HA SER A 135 9.790 6.155 -7.330 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.172 5.526 -6.023 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.514 4.695 -7.418 1.00 0.50 H new ATOM 0 HG SER A 135 13.689 5.425 -7.776 1.00 1.14 H new ATOM 2394 N THR A 136 9.622 6.942 -4.997 1.00 0.35 N ATOM 2395 CA THR A 136 9.402 7.482 -3.669 1.00 0.34 C ATOM 2396 C THR A 136 9.285 6.348 -2.654 1.00 0.31 C ATOM 2397 O THR A 136 8.604 5.349 -2.901 1.00 0.34 O ATOM 2398 CB THR A 136 8.130 8.366 -3.625 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.844 8.779 -2.282 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.924 7.632 -4.193 1.00 0.39 C ATOM 0 H THR A 136 8.982 6.190 -5.254 1.00 0.35 H new ATOM 0 HA THR A 136 10.258 8.107 -3.414 1.00 0.34 H new ATOM 0 HB THR A 136 8.327 9.245 -4.240 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.680 9.012 -1.826 1.00 0.40 H new ATOM 0 HG21 THR A 136 6.049 8.280 -4.147 1.00 0.39 H new ATOM 0 HG22 THR A 136 7.119 7.359 -5.230 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.739 6.730 -3.609 1.00 0.39 H new ATOM 2408 N SER A 137 9.979 6.487 -1.533 1.00 0.33 N ATOM 2409 CA SER A 137 9.869 5.527 -0.450 1.00 0.32 C ATOM 2410 C SER A 137 9.193 6.176 0.750 1.00 0.31 C ATOM 2411 O SER A 137 9.635 7.214 1.240 1.00 0.40 O ATOM 2412 CB SER A 137 11.248 4.995 -0.057 1.00 0.39 C ATOM 2413 OG SER A 137 11.849 4.295 -1.133 1.00 0.79 O ATOM 0 H SER A 137 10.624 7.256 -1.352 1.00 0.33 H new ATOM 0 HA SER A 137 9.263 4.687 -0.789 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.889 5.824 0.245 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.154 4.334 0.804 1.00 0.39 H new ATOM 0 HG SER A 137 12.730 3.966 -0.858 1.00 0.79 H new ATOM 2419 N ARG A 138 8.110 5.576 1.204 1.00 0.35 N ATOM 2420 CA ARG A 138 7.367 6.108 2.330 1.00 0.44 C ATOM 2421 C ARG A 138 7.405 5.118 3.478 1.00 0.39 C ATOM 2422 O ARG A 138 7.104 3.938 3.304 1.00 0.43 O ATOM 2423 CB ARG A 138 5.938 6.415 1.903 1.00 0.63 C ATOM 2424 CG ARG A 138 5.094 7.114 2.953 1.00 1.08 C ATOM 2425 CD ARG A 138 3.947 7.876 2.301 1.00 0.88 C ATOM 2426 NE ARG A 138 3.217 7.054 1.332 1.00 0.82 N ATOM 2427 CZ ARG A 138 3.443 7.065 0.015 1.00 1.07 C ATOM 2428 NH1 ARG A 138 4.407 7.830 -0.488 1.00 1.84 N ATOM 2429 NH2 ARG A 138 2.724 6.297 -0.792 1.00 1.63 N ATOM 0 H ARG A 138 7.724 4.718 0.810 1.00 0.35 H new ATOM 0 HA ARG A 138 7.823 7.038 2.671 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.967 7.037 1.008 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.448 5.481 1.627 1.00 0.63 H new ATOM 0 HG2 ARG A 138 4.697 6.381 3.655 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.715 7.802 3.527 1.00 1.08 H new ATOM 0 HD2 ARG A 138 3.259 8.223 3.072 1.00 0.88 H new ATOM 0 HD3 ARG A 138 4.339 8.762 1.801 1.00 0.88 H new ATOM 0 HE ARG A 138 2.489 6.433 1.686 1.00 0.82 H new ATOM 0 HH11 ARG A 138 4.974 8.409 0.131 1.00 1.84 H new ATOM 0 HH12 ARG A 138 4.579 7.838 -1.493 1.00 1.84 H new ATOM 0 HH21 ARG A 138 1.995 5.695 -0.408 1.00 1.63 H new ATOM 0 HH22 ARG A 138 2.899 6.308 -1.797 1.00 1.63 H new ATOM 2443 N TYR A 139 7.775 5.605 4.646 1.00 0.39 N ATOM 2444 CA TYR A 139 8.114 4.738 5.757 1.00 0.36 C ATOM 2445 C TYR A 139 6.961 4.628 6.744 1.00 0.34 C ATOM 2446 O TYR A 139 6.575 5.608 7.390 1.00 0.39 O ATOM 2447 CB TYR A 139 9.379 5.265 6.441 1.00 0.42 C ATOM 2448 CG TYR A 139 10.543 5.443 5.481 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.667 6.597 4.711 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.506 4.455 5.330 1.00 0.50 C ATOM 2451 CE1 TYR A 139 11.709 6.756 3.820 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.556 4.610 4.443 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.652 5.761 3.689 1.00 0.56 C ATOM 2454 OH TYR A 139 13.690 5.912 2.795 1.00 0.64 O ATOM 0 H TYR A 139 7.849 6.602 4.851 1.00 0.39 H new ATOM 0 HA TYR A 139 8.305 3.734 5.378 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.157 6.221 6.916 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.671 4.576 7.233 1.00 0.42 H new ATOM 0 HD1 TYR A 139 9.933 7.383 4.813 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.434 3.550 5.915 1.00 0.50 H new ATOM 0 HE1 TYR A 139 11.784 7.656 3.228 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.298 3.832 4.341 1.00 0.56 H new ATOM 0 HH TYR A 139 13.804 6.862 2.584 1.00 0.64 H new ATOM 2464 N TYR A 140 6.413 3.427 6.843 1.00 0.29 N ATOM 2465 CA TYR A 140 5.334 3.139 7.769 1.00 0.27 C ATOM 2466 C TYR A 140 5.853 2.270 8.898 1.00 0.29 C ATOM 2467 O TYR A 140 6.730 1.439 8.698 1.00 0.37 O ATOM 2468 CB TYR A 140 4.185 2.409 7.066 1.00 0.27 C ATOM 2469 CG TYR A 140 3.531 3.200 5.956 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.637 4.224 6.238 1.00 0.39 C ATOM 2471 CD2 TYR A 140 3.813 2.923 4.628 1.00 0.45 C ATOM 2472 CE1 TYR A 140 2.040 4.945 5.222 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.223 3.641 3.610 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.322 4.656 3.923 1.00 0.48 C ATOM 2475 OH TYR A 140 1.742 5.364 2.894 1.00 0.60 O ATOM 0 H TYR A 140 6.705 2.626 6.283 1.00 0.29 H new ATOM 0 HA TYR A 140 4.960 4.085 8.161 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.563 1.473 6.655 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.428 2.150 7.806 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.405 4.460 7.266 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.507 2.131 4.386 1.00 0.45 H new ATOM 0 HE1 TYR A 140 1.348 5.740 5.459 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.457 3.419 2.579 1.00 0.52 H new ATOM 0 HH TYR A 140 1.342 6.186 3.247 1.00 0.60 H new ATOM 2485 N LYS A 141 5.312 2.460 10.076 1.00 0.37 N ATOM 2486 CA LYS A 141 5.664 1.629 11.209 1.00 0.48 C ATOM 2487 C LYS A 141 4.395 1.288 11.946 1.00 0.45 C ATOM 2488 O LYS A 141 3.418 1.977 11.762 1.00 0.54 O ATOM 2489 CB LYS A 141 6.684 2.330 12.115 1.00 0.69 C ATOM 2490 CG LYS A 141 6.207 3.635 12.736 1.00 0.72 C ATOM 2491 CD LYS A 141 5.387 3.394 13.988 1.00 0.97 C ATOM 2492 CE LYS A 141 6.160 2.605 15.026 1.00 1.45 C ATOM 2493 NZ LYS A 141 5.455 2.573 16.333 1.00 1.92 N ATOM 0 H LYS A 141 4.623 3.185 10.279 1.00 0.37 H new ATOM 0 HA LYS A 141 6.144 0.711 10.869 1.00 0.48 H new ATOM 0 HB2 LYS A 141 6.966 1.646 12.916 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.585 2.530 11.535 1.00 0.69 H new ATOM 0 HG2 LYS A 141 7.068 4.258 12.979 1.00 0.72 H new ATOM 0 HG3 LYS A 141 5.609 4.186 12.010 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.082 4.351 14.412 1.00 0.97 H new ATOM 0 HD3 LYS A 141 4.476 2.856 13.727 1.00 0.97 H new ATOM 0 HE2 LYS A 141 6.311 1.586 14.670 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.148 3.047 15.157 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 6.015 2.024 17.016 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 5.333 3.544 16.686 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 4.522 2.128 16.214 1.00 1.92 H new ATOM 2507 N LYS A 142 4.410 0.239 12.750 1.00 0.44 N ATOM 2508 CA LYS A 142 3.206 -0.255 13.436 1.00 0.43 C ATOM 2509 C LYS A 142 2.368 0.889 14.068 1.00 0.36 C ATOM 2510 O LYS A 142 2.856 1.986 14.294 1.00 0.34 O ATOM 2511 CB LYS A 142 3.641 -1.285 14.488 1.00 0.54 C ATOM 2512 CG LYS A 142 2.552 -2.257 14.915 1.00 0.87 C ATOM 2513 CD LYS A 142 1.821 -1.768 16.147 1.00 1.30 C ATOM 2514 CE LYS A 142 0.659 -2.671 16.511 1.00 1.43 C ATOM 2515 NZ LYS A 142 -0.038 -2.190 17.728 1.00 2.13 N ATOM 0 H LYS A 142 5.251 -0.301 12.952 1.00 0.44 H new ATOM 0 HA LYS A 142 2.549 -0.725 12.704 1.00 0.43 H new ATOM 0 HB2 LYS A 142 4.482 -1.854 14.093 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.001 -0.754 15.369 1.00 0.54 H new ATOM 0 HG2 LYS A 142 1.842 -2.390 14.099 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.993 -3.233 15.116 1.00 0.87 H new ATOM 0 HD2 LYS A 142 2.516 -1.716 16.985 1.00 1.30 H new ATOM 0 HD3 LYS A 142 1.454 -0.756 15.974 1.00 1.30 H new ATOM 0 HE2 LYS A 142 -0.045 -2.714 15.680 1.00 1.43 H new ATOM 0 HE3 LYS A 142 1.022 -3.686 16.675 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 -1.035 -2.486 17.697 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 0.417 -2.594 18.571 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 0.014 -1.152 17.771 1.00 2.13 H new ATOM 2529 N GLN A 143 1.071 0.674 14.218 1.00 0.44 N ATOM 2530 CA GLN A 143 0.239 1.570 15.022 1.00 0.53 C ATOM 2531 C GLN A 143 0.544 1.421 16.510 1.00 0.68 C ATOM 2532 O GLN A 143 1.358 2.205 17.037 1.00 1.46 O ATOM 2533 CB GLN A 143 -1.242 1.281 14.773 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.807 1.946 13.536 1.00 0.63 C ATOM 2535 CD GLN A 143 -2.080 3.419 13.735 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -2.391 3.868 14.840 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -1.958 4.180 12.669 1.00 1.28 N ATOM 2538 OXT GLN A 143 -0.035 0.518 17.151 1.00 1.19 O ATOM 0 H GLN A 143 0.569 -0.108 13.798 1.00 0.44 H new ATOM 0 HA GLN A 143 0.467 2.593 14.723 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -1.380 0.203 14.687 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.815 1.608 15.641 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -1.108 1.819 12.710 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.732 1.445 13.250 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -1.698 3.766 11.774 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -2.123 5.184 12.738 1.00 1.28 H new