USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1029 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 155 LYS NZ :NH3+ -174:sc= 0.241 (180deg=-0.288) USER MOD Set 1.2: A 157 ASN : amide:sc= 0.316 K(o=0.56,f=-7.1!) USER MOD Set 2.1: A 131 HIS : no HD1:sc= 0.222 K(o=0.73,f=-3.6) USER MOD Set 2.2: A 142 CYS SG : rot 121:sc= -2.07! USER MOD Set 2.3: A 143 CYS SG : rot -109:sc= 1.15 USER MOD Set 2.4: A 145 GLN : amide:sc= 1.03 K(o=0.73,f=-1) USER MOD Set 2.5: A 153 CYS SG : rot -80:sc= 0.395 USER MOD Set 3.1: A 141 GLN : amide:sc= 0.251 K(o=0.33,f=-3.6!) USER MOD Set 3.2: A 146 THR OG1 : rot -120:sc= 0.079 USER MOD Set 4.1: A 105 SER OG : rot -170:sc= 0.859 USER MOD Set 4.2: A 108 SER OG : rot 73:sc= 0.657 USER MOD Single : A 15 THR OG1 : rot 39:sc= 0.791 USER MOD Single : A 23 LYS NZ :NH3+ -106:sc= 0.562 (180deg=0.00612) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.922 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -59:sc= 1.63 USER MOD Single : A 45 LYS NZ :NH3+ 174:sc=-0.00136 (180deg=-0.0379) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -172:sc= 0 (180deg=-0.0726) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= -0.0607 (180deg=-0.285) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= 0.24 (180deg=-1.02!) USER MOD Single : A 71 CYS SG : rot 57:sc= 0.263! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 160:sc= -4.17! USER MOD Single : A 85 GLN : amide:sc= 0.0958 X(o=0.096,f=-0.31) USER MOD Single : A 86 ASN : amide:sc= -1.72 X(o=-1.7,f=-2) USER MOD Single : A 87 LYS NZ :NH3+ -146:sc= 0.929 (180deg=0.269) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0.35 K(o=0.35,f=-1.1!) USER MOD Single : A 94 HIS : no HE2:sc= -1.23 X(o=-1.2,f=-1.6) USER MOD Single : A 97 ASN : amide:sc= -0.0478 K(o=-0.048,f=-2.6!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot -33:sc= 0.923 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 167:sc= 0.512 (180deg=0.396) USER MOD Single : A 115 LYS NZ :NH3+ 137:sc= 0.00939 (180deg=-0.459) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ -176:sc= 0.428 (180deg=0.383) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.599 F(o=-1.7,f=-0.6) USER MOD Single : A 124 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.79 K(o=-0.79,f=-4.4!) USER MOD Single : A 127 MET CE :methyl 170:sc= -0.416 (180deg=-0.831) USER MOD Single : A 129 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0672) USER MOD Single : A 130 TYR OH : rot -75:sc= 0.00236 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0.234 USER MOD Single : A 139 SER OG : rot -170:sc= 0 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 10:sc= 0.129 USER MOD ----------------------------------------------------------------- ATOM 229 N THR A 15 -9.260 -0.784 15.057 1.00 63.11 N ATOM 230 CA THR A 15 -8.959 -0.699 13.623 1.00 14.41 C ATOM 231 C THR A 15 -9.584 0.551 12.966 1.00 4.41 C ATOM 232 O THR A 15 -10.461 1.224 13.526 1.00 4.30 O ATOM 233 CB THR A 15 -9.401 -2.011 12.859 1.00 60.24 C ATOM 234 OG1 THR A 15 -8.972 -1.976 11.482 1.00 73.32 O ATOM 235 CG2 THR A 15 -10.924 -2.225 12.903 1.00 41.22 C ATOM 0 HA THR A 15 -7.876 -0.604 13.540 1.00 14.41 H new ATOM 0 HB THR A 15 -8.920 -2.843 13.374 1.00 60.24 H new ATOM 0 HG1 THR A 15 -8.079 -1.576 11.428 1.00 73.32 H new ATOM 0 HG21 THR A 15 -11.179 -3.138 12.365 1.00 41.22 H new ATOM 0 HG22 THR A 15 -11.249 -2.312 13.940 1.00 41.22 H new ATOM 0 HG23 THR A 15 -11.424 -1.377 12.435 1.00 41.22 H new ATOM 243 N ILE A 16 -9.064 0.844 11.784 1.00 73.40 N ATOM 244 CA ILE A 16 -9.477 1.950 10.914 1.00 21.33 C ATOM 245 C ILE A 16 -10.205 1.359 9.694 1.00 53.04 C ATOM 246 O ILE A 16 -11.181 1.935 9.187 1.00 62.52 O ATOM 247 CB ILE A 16 -8.206 2.766 10.457 1.00 53.11 C ATOM 248 CG1 ILE A 16 -7.392 3.236 11.707 1.00 44.14 C ATOM 249 CG2 ILE A 16 -8.576 3.965 9.541 1.00 41.40 C ATOM 250 CD1 ILE A 16 -6.056 3.880 11.401 1.00 63.54 C ATOM 0 H ILE A 16 -8.306 0.294 11.380 1.00 73.40 H new ATOM 0 HA ILE A 16 -10.145 2.626 11.447 1.00 21.33 H new ATOM 0 HB ILE A 16 -7.581 2.102 9.860 1.00 53.11 H new ATOM 0 HG12 ILE A 16 -7.999 3.945 12.270 1.00 44.14 H new ATOM 0 HG13 ILE A 16 -7.223 2.376 12.355 1.00 44.14 H new ATOM 0 HG21 ILE A 16 -7.669 4.496 9.252 1.00 41.40 H new ATOM 0 HG22 ILE A 16 -9.081 3.598 8.648 1.00 41.40 H new ATOM 0 HG23 ILE A 16 -9.238 4.643 10.079 1.00 41.40 H new ATOM 0 HD11 ILE A 16 -5.570 4.171 12.333 1.00 63.54 H new ATOM 0 HD12 ILE A 16 -5.423 3.170 10.868 1.00 63.54 H new ATOM 0 HD13 ILE A 16 -6.211 4.764 10.782 1.00 63.54 H new ATOM 262 N LEU A 17 -9.716 0.177 9.266 1.00 41.11 N ATOM 263 CA LEU A 17 -10.176 -0.528 8.062 1.00 70.05 C ATOM 264 C LEU A 17 -9.447 -1.880 7.973 1.00 20.34 C ATOM 265 O LEU A 17 -8.253 -1.956 8.262 1.00 21.15 O ATOM 266 CB LEU A 17 -9.906 0.339 6.792 1.00 2.43 C ATOM 267 CG LEU A 17 -10.196 -0.310 5.398 1.00 51.10 C ATOM 268 CD1 LEU A 17 -11.645 -0.829 5.279 1.00 44.04 C ATOM 269 CD2 LEU A 17 -9.867 0.685 4.270 1.00 65.10 C ATOM 0 H LEU A 17 -8.976 -0.320 9.761 1.00 41.11 H new ATOM 0 HA LEU A 17 -11.250 -0.703 8.120 1.00 70.05 H new ATOM 0 HB2 LEU A 17 -10.504 1.247 6.871 1.00 2.43 H new ATOM 0 HB3 LEU A 17 -8.860 0.644 6.810 1.00 2.43 H new ATOM 0 HG LEU A 17 -9.548 -1.181 5.300 1.00 51.10 H new ATOM 0 HD11 LEU A 17 -11.794 -1.270 4.293 1.00 44.04 H new ATOM 0 HD12 LEU A 17 -11.825 -1.584 6.045 1.00 44.04 H new ATOM 0 HD13 LEU A 17 -12.340 -0.001 5.415 1.00 44.04 H new ATOM 0 HD21 LEU A 17 -10.073 0.222 3.305 1.00 65.10 H new ATOM 0 HD22 LEU A 17 -10.481 1.578 4.382 1.00 65.10 H new ATOM 0 HD23 LEU A 17 -8.814 0.960 4.323 1.00 65.10 H new ATOM 281 N GLU A 18 -10.179 -2.941 7.599 1.00 41.12 N ATOM 282 CA GLU A 18 -9.601 -4.278 7.344 1.00 60.31 C ATOM 283 C GLU A 18 -10.318 -4.950 6.156 1.00 63.32 C ATOM 284 O GLU A 18 -11.543 -4.860 6.027 1.00 22.53 O ATOM 285 CB GLU A 18 -9.671 -5.189 8.599 1.00 53.20 C ATOM 286 CG GLU A 18 -11.082 -5.399 9.186 1.00 31.12 C ATOM 287 CD GLU A 18 -11.173 -6.616 10.116 1.00 70.33 C ATOM 288 OE1 GLU A 18 -10.688 -6.540 11.260 1.00 54.33 O ATOM 289 OE2 GLU A 18 -11.718 -7.662 9.704 1.00 74.21 O ATOM 0 H GLU A 18 -11.189 -2.900 7.464 1.00 41.12 H new ATOM 0 HA GLU A 18 -8.548 -4.139 7.098 1.00 60.31 H new ATOM 0 HB2 GLU A 18 -9.253 -6.163 8.344 1.00 53.20 H new ATOM 0 HB3 GLU A 18 -9.034 -4.762 9.373 1.00 53.20 H new ATOM 0 HG2 GLU A 18 -11.376 -4.506 9.737 1.00 31.12 H new ATOM 0 HG3 GLU A 18 -11.794 -5.519 8.370 1.00 31.12 H new ATOM 296 N GLU A 19 -9.543 -5.653 5.317 1.00 13.15 N ATOM 297 CA GLU A 19 -10.056 -6.287 4.078 1.00 14.32 C ATOM 298 C GLU A 19 -9.113 -7.417 3.632 1.00 20.34 C ATOM 299 O GLU A 19 -7.921 -7.420 3.968 1.00 31.11 O ATOM 300 CB GLU A 19 -10.208 -5.208 2.962 1.00 21.01 C ATOM 301 CG GLU A 19 -10.753 -5.692 1.594 1.00 4.13 C ATOM 302 CD GLU A 19 -12.175 -6.275 1.658 1.00 12.11 C ATOM 303 OE1 GLU A 19 -13.150 -5.495 1.681 1.00 31.32 O ATOM 304 OE2 GLU A 19 -12.333 -7.515 1.676 1.00 4.20 O ATOM 0 H GLU A 19 -8.546 -5.802 5.471 1.00 13.15 H new ATOM 0 HA GLU A 19 -11.036 -6.724 4.272 1.00 14.32 H new ATOM 0 HB2 GLU A 19 -10.869 -4.425 3.334 1.00 21.01 H new ATOM 0 HB3 GLU A 19 -9.233 -4.750 2.797 1.00 21.01 H new ATOM 0 HG2 GLU A 19 -10.745 -4.856 0.895 1.00 4.13 H new ATOM 0 HG3 GLU A 19 -10.079 -6.449 1.193 1.00 4.13 H new ATOM 311 N ILE A 20 -9.672 -8.371 2.865 1.00 41.03 N ATOM 312 CA ILE A 20 -8.945 -9.525 2.337 1.00 51.41 C ATOM 313 C ILE A 20 -8.279 -9.116 1.001 1.00 4.33 C ATOM 314 O ILE A 20 -8.922 -9.106 -0.058 1.00 3.11 O ATOM 315 CB ILE A 20 -9.916 -10.753 2.132 1.00 5.35 C ATOM 316 CG1 ILE A 20 -10.820 -10.975 3.387 1.00 73.54 C ATOM 317 CG2 ILE A 20 -9.131 -12.042 1.801 1.00 32.44 C ATOM 318 CD1 ILE A 20 -10.073 -11.292 4.667 1.00 11.40 C ATOM 0 H ILE A 20 -10.655 -8.356 2.595 1.00 41.03 H new ATOM 0 HA ILE A 20 -8.179 -9.835 3.047 1.00 51.41 H new ATOM 0 HB ILE A 20 -10.559 -10.519 1.283 1.00 5.35 H new ATOM 0 HG12 ILE A 20 -11.420 -10.079 3.547 1.00 73.54 H new ATOM 0 HG13 ILE A 20 -11.513 -11.790 3.177 1.00 73.54 H new ATOM 0 HG21 ILE A 20 -9.829 -12.868 1.666 1.00 32.44 H new ATOM 0 HG22 ILE A 20 -8.560 -11.895 0.884 1.00 32.44 H new ATOM 0 HG23 ILE A 20 -8.449 -12.273 2.619 1.00 32.44 H new ATOM 0 HD11 ILE A 20 -10.786 -11.429 5.480 1.00 11.40 H new ATOM 0 HD12 ILE A 20 -9.495 -12.206 4.534 1.00 11.40 H new ATOM 0 HD13 ILE A 20 -9.400 -10.469 4.909 1.00 11.40 H new ATOM 330 N LEU A 21 -7.001 -8.725 1.083 1.00 23.34 N ATOM 331 CA LEU A 21 -6.226 -8.191 -0.056 1.00 74.22 C ATOM 332 C LEU A 21 -5.157 -9.215 -0.493 1.00 32.52 C ATOM 333 O LEU A 21 -4.810 -10.112 0.276 1.00 22.45 O ATOM 334 CB LEU A 21 -5.536 -6.869 0.375 1.00 3.52 C ATOM 335 CG LEU A 21 -6.447 -5.761 1.001 1.00 52.31 C ATOM 336 CD1 LEU A 21 -5.607 -4.629 1.617 1.00 30.54 C ATOM 337 CD2 LEU A 21 -7.435 -5.196 -0.033 1.00 60.12 C ATOM 0 H LEU A 21 -6.465 -8.769 1.950 1.00 23.34 H new ATOM 0 HA LEU A 21 -6.897 -8.001 -0.894 1.00 74.22 H new ATOM 0 HB2 LEU A 21 -4.757 -7.114 1.097 1.00 3.52 H new ATOM 0 HB3 LEU A 21 -5.040 -6.446 -0.499 1.00 3.52 H new ATOM 0 HG LEU A 21 -7.023 -6.230 1.798 1.00 52.31 H new ATOM 0 HD11 LEU A 21 -6.269 -3.875 2.043 1.00 30.54 H new ATOM 0 HD12 LEU A 21 -4.968 -5.035 2.401 1.00 30.54 H new ATOM 0 HD13 LEU A 21 -4.988 -4.173 0.844 1.00 30.54 H new ATOM 0 HD21 LEU A 21 -8.052 -4.429 0.435 1.00 60.12 H new ATOM 0 HD22 LEU A 21 -6.882 -4.759 -0.864 1.00 60.12 H new ATOM 0 HD23 LEU A 21 -8.073 -5.999 -0.404 1.00 60.12 H new ATOM 349 N ILE A 22 -4.620 -9.058 -1.719 1.00 21.02 N ATOM 350 CA ILE A 22 -3.522 -9.912 -2.232 1.00 23.32 C ATOM 351 C ILE A 22 -2.172 -9.189 -2.076 1.00 73.42 C ATOM 352 O ILE A 22 -2.032 -8.042 -2.492 1.00 72.20 O ATOM 353 CB ILE A 22 -3.750 -10.334 -3.741 1.00 74.23 C ATOM 354 CG1 ILE A 22 -5.023 -11.226 -3.844 1.00 52.41 C ATOM 355 CG2 ILE A 22 -2.509 -11.063 -4.329 1.00 41.01 C ATOM 356 CD1 ILE A 22 -5.360 -11.778 -5.218 1.00 63.03 C ATOM 0 H ILE A 22 -4.929 -8.344 -2.379 1.00 21.02 H new ATOM 0 HA ILE A 22 -3.513 -10.826 -1.639 1.00 23.32 H new ATOM 0 HB ILE A 22 -3.896 -9.431 -4.334 1.00 74.23 H new ATOM 0 HG12 ILE A 22 -4.906 -12.066 -3.159 1.00 52.41 H new ATOM 0 HG13 ILE A 22 -5.875 -10.644 -3.493 1.00 52.41 H new ATOM 0 HG21 ILE A 22 -2.705 -11.336 -5.366 1.00 41.01 H new ATOM 0 HG22 ILE A 22 -1.644 -10.401 -4.285 1.00 41.01 H new ATOM 0 HG23 ILE A 22 -2.307 -11.963 -3.749 1.00 41.01 H new ATOM 0 HD11 ILE A 22 -6.266 -12.381 -5.156 1.00 63.03 H new ATOM 0 HD12 ILE A 22 -5.520 -10.953 -5.912 1.00 63.03 H new ATOM 0 HD13 ILE A 22 -4.536 -12.397 -5.574 1.00 63.03 H new ATOM 368 N LYS A 23 -1.189 -9.872 -1.466 1.00 20.13 N ATOM 369 CA LYS A 23 0.181 -9.353 -1.331 1.00 62.21 C ATOM 370 C LYS A 23 1.056 -9.893 -2.475 1.00 32.13 C ATOM 371 O LYS A 23 0.958 -11.081 -2.829 1.00 54.22 O ATOM 372 CB LYS A 23 0.794 -9.774 0.036 1.00 41.53 C ATOM 373 CG LYS A 23 2.097 -9.023 0.401 1.00 52.33 C ATOM 374 CD LYS A 23 2.672 -9.426 1.780 1.00 3.03 C ATOM 375 CE LYS A 23 3.147 -10.888 1.824 1.00 1.43 C ATOM 376 NZ LYS A 23 3.661 -11.275 3.167 1.00 74.41 N ATOM 0 H LYS A 23 -1.321 -10.796 -1.054 1.00 20.13 H new ATOM 0 HA LYS A 23 0.146 -8.265 -1.379 1.00 62.21 H new ATOM 0 HB2 LYS A 23 0.057 -9.604 0.821 1.00 41.53 H new ATOM 0 HB3 LYS A 23 0.997 -10.845 0.017 1.00 41.53 H new ATOM 0 HG2 LYS A 23 2.846 -9.215 -0.367 1.00 52.33 H new ATOM 0 HG3 LYS A 23 1.903 -7.950 0.396 1.00 52.33 H new ATOM 0 HD2 LYS A 23 3.507 -8.770 2.026 1.00 3.03 H new ATOM 0 HD3 LYS A 23 1.910 -9.273 2.545 1.00 3.03 H new ATOM 0 HE2 LYS A 23 2.321 -11.544 1.551 1.00 1.43 H new ATOM 0 HE3 LYS A 23 3.931 -11.036 1.081 1.00 1.43 H new ATOM 0 HZ1 LYS A 23 4.698 -11.340 3.136 1.00 74.41 H new ATOM 0 HZ2 LYS A 23 3.380 -10.558 3.866 1.00 74.41 H new ATOM 0 HZ3 LYS A 23 3.264 -12.197 3.438 1.00 74.41 H new ATOM 390 N ARG A 24 1.910 -9.022 -3.047 1.00 0.12 N ATOM 391 CA ARG A 24 2.942 -9.449 -3.999 1.00 74.13 C ATOM 392 C ARG A 24 4.160 -9.918 -3.169 1.00 51.30 C ATOM 393 O ARG A 24 4.681 -9.166 -2.336 1.00 4.21 O ATOM 394 CB ARG A 24 3.341 -8.300 -4.966 1.00 41.25 C ATOM 395 CG ARG A 24 4.113 -8.781 -6.217 1.00 33.14 C ATOM 396 CD ARG A 24 4.681 -7.629 -7.063 1.00 22.43 C ATOM 397 NE ARG A 24 5.825 -6.965 -6.395 1.00 22.33 N ATOM 398 CZ ARG A 24 6.988 -6.627 -6.991 1.00 21.05 C ATOM 399 NH1 ARG A 24 7.198 -6.877 -8.284 1.00 71.21 N ATOM 400 NH2 ARG A 24 7.950 -6.066 -6.272 1.00 12.34 N ATOM 0 H ARG A 24 1.902 -8.019 -2.863 1.00 0.12 H new ATOM 0 HA ARG A 24 2.563 -10.257 -4.625 1.00 74.13 H new ATOM 0 HB2 ARG A 24 2.440 -7.776 -5.285 1.00 41.25 H new ATOM 0 HB3 ARG A 24 3.955 -7.579 -4.426 1.00 41.25 H new ATOM 0 HG2 ARG A 24 4.931 -9.429 -5.903 1.00 33.14 H new ATOM 0 HG3 ARG A 24 3.448 -9.383 -6.836 1.00 33.14 H new ATOM 0 HD2 ARG A 24 5.000 -8.013 -8.032 1.00 22.43 H new ATOM 0 HD3 ARG A 24 3.896 -6.897 -7.253 1.00 22.43 H new ATOM 0 HE ARG A 24 5.726 -6.745 -5.404 1.00 22.33 H new ATOM 0 HH11 ARG A 24 6.473 -7.331 -8.840 1.00 71.21 H new ATOM 0 HH12 ARG A 24 8.083 -6.614 -8.717 1.00 71.21 H new ATOM 0 HH21 ARG A 24 7.808 -5.893 -5.277 1.00 12.34 H new ATOM 0 HH22 ARG A 24 8.832 -5.807 -6.714 1.00 12.34 H new ATOM 414 N SER A 25 4.590 -11.155 -3.406 1.00 25.34 N ATOM 415 CA SER A 25 5.482 -11.911 -2.506 1.00 72.22 C ATOM 416 C SER A 25 6.699 -12.458 -3.273 1.00 43.12 C ATOM 417 O SER A 25 6.637 -12.610 -4.504 1.00 42.24 O ATOM 418 CB SER A 25 4.681 -13.058 -1.838 1.00 0.24 C ATOM 419 OG SER A 25 3.489 -12.558 -1.254 1.00 71.32 O ATOM 0 H SER A 25 4.328 -11.677 -4.242 1.00 25.34 H new ATOM 0 HA SER A 25 5.860 -11.244 -1.731 1.00 72.22 H new ATOM 0 HB2 SER A 25 4.438 -13.819 -2.579 1.00 0.24 H new ATOM 0 HB3 SER A 25 5.292 -13.540 -1.075 1.00 0.24 H new ATOM 0 HG SER A 25 2.994 -13.295 -0.838 1.00 71.32 H new ATOM 583 N ASN A 35 5.042 -14.480 -6.248 1.00 40.23 N ATOM 584 CA ASN A 35 3.989 -15.256 -5.571 1.00 54.11 C ATOM 585 C ASN A 35 2.866 -14.287 -5.153 1.00 45.11 C ATOM 586 O ASN A 35 3.128 -13.119 -4.848 1.00 15.34 O ATOM 587 CB ASN A 35 4.552 -16.000 -4.324 1.00 21.45 C ATOM 588 CG ASN A 35 3.638 -17.134 -3.831 1.00 72.11 C ATOM 589 OD1 ASN A 35 3.884 -18.313 -4.096 1.00 55.21 O ATOM 590 ND2 ASN A 35 2.552 -16.792 -3.149 1.00 10.22 N ATOM 0 HA ASN A 35 3.601 -16.012 -6.254 1.00 54.11 H new ATOM 0 HB2 ASN A 35 5.532 -16.411 -4.566 1.00 21.45 H new ATOM 0 HB3 ASN A 35 4.698 -15.283 -3.516 1.00 21.45 H new ATOM 0 HD21 ASN A 35 1.901 -17.511 -2.833 1.00 10.22 H new ATOM 0 HD22 ASN A 35 2.368 -15.810 -2.941 1.00 10.22 H new ATOM 597 N TYR A 36 1.623 -14.769 -5.148 1.00 21.35 N ATOM 598 CA TYR A 36 0.441 -13.978 -4.763 1.00 42.21 C ATOM 599 C TYR A 36 -0.380 -14.786 -3.764 1.00 65.20 C ATOM 600 O TYR A 36 -0.537 -16.002 -3.932 1.00 40.22 O ATOM 601 CB TYR A 36 -0.413 -13.635 -6.012 1.00 72.34 C ATOM 602 CG TYR A 36 0.329 -12.774 -7.039 1.00 62.12 C ATOM 603 CD1 TYR A 36 0.368 -11.382 -6.918 1.00 63.43 C ATOM 604 CD2 TYR A 36 1.025 -13.356 -8.103 1.00 25.42 C ATOM 605 CE1 TYR A 36 1.065 -10.612 -7.822 1.00 11.21 C ATOM 606 CE2 TYR A 36 1.728 -12.583 -9.001 1.00 40.35 C ATOM 607 CZ TYR A 36 1.745 -11.215 -8.856 1.00 44.23 C ATOM 608 OH TYR A 36 2.458 -10.444 -9.742 1.00 62.04 O ATOM 0 H TYR A 36 1.400 -15.728 -5.413 1.00 21.35 H new ATOM 0 HA TYR A 36 0.759 -13.040 -4.307 1.00 42.21 H new ATOM 0 HB2 TYR A 36 -0.734 -14.561 -6.489 1.00 72.34 H new ATOM 0 HB3 TYR A 36 -1.315 -13.112 -5.694 1.00 72.34 H new ATOM 0 HD1 TYR A 36 -0.156 -10.904 -6.104 1.00 63.43 H new ATOM 0 HD2 TYR A 36 1.011 -14.429 -8.223 1.00 25.42 H new ATOM 0 HE1 TYR A 36 1.078 -9.537 -7.720 1.00 11.21 H new ATOM 0 HE2 TYR A 36 2.263 -13.049 -9.815 1.00 40.35 H new ATOM 0 HH TYR A 36 2.881 -11.021 -10.412 1.00 62.04 H new ATOM 618 N LYS A 37 -0.879 -14.116 -2.724 1.00 73.22 N ATOM 619 CA LYS A 37 -1.688 -14.756 -1.682 1.00 24.32 C ATOM 620 C LYS A 37 -2.700 -13.741 -1.130 1.00 14.13 C ATOM 621 O LYS A 37 -2.338 -12.590 -0.874 1.00 73.11 O ATOM 622 CB LYS A 37 -0.759 -15.320 -0.573 1.00 13.10 C ATOM 623 CG LYS A 37 -1.477 -16.095 0.558 1.00 2.43 C ATOM 624 CD LYS A 37 -2.305 -17.294 0.046 1.00 33.52 C ATOM 625 CE LYS A 37 -1.453 -18.386 -0.629 1.00 24.42 C ATOM 626 NZ LYS A 37 -2.306 -19.450 -1.219 1.00 52.40 N ATOM 0 H LYS A 37 -0.735 -13.117 -2.579 1.00 73.22 H new ATOM 0 HA LYS A 37 -2.249 -15.594 -2.096 1.00 24.32 H new ATOM 0 HB2 LYS A 37 -0.027 -15.981 -1.036 1.00 13.10 H new ATOM 0 HB3 LYS A 37 -0.205 -14.492 -0.130 1.00 13.10 H new ATOM 0 HG2 LYS A 37 -0.735 -16.453 1.272 1.00 2.43 H new ATOM 0 HG3 LYS A 37 -2.134 -15.412 1.097 1.00 2.43 H new ATOM 0 HD2 LYS A 37 -2.849 -17.734 0.882 1.00 33.52 H new ATOM 0 HD3 LYS A 37 -3.050 -16.934 -0.664 1.00 33.52 H new ATOM 0 HE2 LYS A 37 -0.836 -17.939 -1.408 1.00 24.42 H new ATOM 0 HE3 LYS A 37 -0.775 -18.825 0.103 1.00 24.42 H new ATOM 0 HZ1 LYS A 37 -1.703 -20.170 -1.666 1.00 52.40 H new ATOM 0 HZ2 LYS A 37 -2.877 -19.892 -0.471 1.00 52.40 H new ATOM 0 HZ3 LYS A 37 -2.936 -19.033 -1.934 1.00 52.40 H new ATOM 640 N GLU A 38 -3.945 -14.196 -0.886 1.00 74.44 N ATOM 641 CA GLU A 38 -5.078 -13.306 -0.566 1.00 41.44 C ATOM 642 C GLU A 38 -5.487 -13.537 0.895 1.00 3.35 C ATOM 643 O GLU A 38 -6.151 -14.525 1.210 1.00 11.43 O ATOM 644 CB GLU A 38 -6.257 -13.592 -1.533 1.00 12.54 C ATOM 645 CG GLU A 38 -7.462 -12.652 -1.358 1.00 73.42 C ATOM 646 CD GLU A 38 -8.519 -12.815 -2.452 1.00 34.00 C ATOM 647 OE1 GLU A 38 -9.357 -13.740 -2.362 1.00 10.22 O ATOM 648 OE2 GLU A 38 -8.507 -12.026 -3.423 1.00 4.22 O ATOM 0 H GLU A 38 -4.192 -15.185 -0.905 1.00 74.44 H new ATOM 0 HA GLU A 38 -4.790 -12.262 -0.691 1.00 41.44 H new ATOM 0 HB2 GLU A 38 -5.897 -13.515 -2.559 1.00 12.54 H new ATOM 0 HB3 GLU A 38 -6.589 -14.620 -1.388 1.00 12.54 H new ATOM 0 HG2 GLU A 38 -7.922 -12.838 -0.387 1.00 73.42 H new ATOM 0 HG3 GLU A 38 -7.111 -11.620 -1.352 1.00 73.42 H new ATOM 655 N ARG A 39 -5.098 -12.606 1.777 1.00 62.23 N ATOM 656 CA ARG A 39 -5.197 -12.758 3.249 1.00 65.34 C ATOM 657 C ARG A 39 -5.753 -11.468 3.889 1.00 35.54 C ATOM 658 O ARG A 39 -5.976 -10.470 3.196 1.00 43.01 O ATOM 659 CB ARG A 39 -3.789 -13.086 3.830 1.00 64.44 C ATOM 660 CG ARG A 39 -3.175 -14.440 3.390 1.00 32.01 C ATOM 661 CD ARG A 39 -3.848 -15.683 4.024 1.00 24.33 C ATOM 662 NE ARG A 39 -5.176 -15.978 3.458 1.00 64.41 N ATOM 663 CZ ARG A 39 -6.143 -16.683 4.066 1.00 71.23 C ATOM 664 NH1 ARG A 39 -5.964 -17.191 5.280 1.00 34.10 N ATOM 665 NH2 ARG A 39 -7.301 -16.863 3.451 1.00 50.41 N ATOM 0 H ARG A 39 -4.699 -11.711 1.492 1.00 62.23 H new ATOM 0 HA ARG A 39 -5.882 -13.574 3.479 1.00 65.34 H new ATOM 0 HB2 ARG A 39 -3.104 -12.288 3.544 1.00 64.44 H new ATOM 0 HB3 ARG A 39 -3.854 -13.075 4.918 1.00 64.44 H new ATOM 0 HG2 ARG A 39 -3.241 -14.520 2.305 1.00 32.01 H new ATOM 0 HG3 ARG A 39 -2.116 -14.445 3.646 1.00 32.01 H new ATOM 0 HD2 ARG A 39 -3.201 -16.549 3.885 1.00 24.33 H new ATOM 0 HD3 ARG A 39 -3.945 -15.527 5.098 1.00 24.33 H new ATOM 0 HE ARG A 39 -5.377 -15.616 2.526 1.00 64.41 H new ATOM 0 HH11 ARG A 39 -5.079 -17.048 5.767 1.00 34.10 H new ATOM 0 HH12 ARG A 39 -6.711 -17.724 5.725 1.00 34.10 H new ATOM 0 HH21 ARG A 39 -7.453 -16.467 2.523 1.00 50.41 H new ATOM 0 HH22 ARG A 39 -8.042 -17.397 3.905 1.00 50.41 H new ATOM 679 N LEU A 40 -5.936 -11.489 5.225 1.00 23.04 N ATOM 680 CA LEU A 40 -6.582 -10.386 5.972 1.00 75.30 C ATOM 681 C LEU A 40 -5.533 -9.337 6.382 1.00 70.10 C ATOM 682 O LEU A 40 -4.649 -9.607 7.204 1.00 4.30 O ATOM 683 CB LEU A 40 -7.328 -10.924 7.227 1.00 43.05 C ATOM 684 CG LEU A 40 -8.010 -9.849 8.151 1.00 31.11 C ATOM 685 CD1 LEU A 40 -9.059 -8.996 7.394 1.00 52.12 C ATOM 686 CD2 LEU A 40 -8.628 -10.514 9.392 1.00 22.32 C ATOM 0 H LEU A 40 -5.642 -12.267 5.816 1.00 23.04 H new ATOM 0 HA LEU A 40 -7.316 -9.915 5.318 1.00 75.30 H new ATOM 0 HB2 LEU A 40 -8.094 -11.624 6.895 1.00 43.05 H new ATOM 0 HB3 LEU A 40 -6.618 -11.491 7.829 1.00 43.05 H new ATOM 0 HG LEU A 40 -7.228 -9.164 8.477 1.00 31.11 H new ATOM 0 HD11 LEU A 40 -9.499 -8.270 8.077 1.00 52.12 H new ATOM 0 HD12 LEU A 40 -8.575 -8.472 6.570 1.00 52.12 H new ATOM 0 HD13 LEU A 40 -9.841 -9.646 7.001 1.00 52.12 H new ATOM 0 HD21 LEU A 40 -9.095 -9.753 10.018 1.00 22.32 H new ATOM 0 HD22 LEU A 40 -9.380 -11.239 9.080 1.00 22.32 H new ATOM 0 HD23 LEU A 40 -7.848 -11.022 9.959 1.00 22.32 H new ATOM 698 N PHE A 41 -5.634 -8.153 5.769 1.00 32.34 N ATOM 699 CA PHE A 41 -4.852 -6.966 6.141 1.00 74.24 C ATOM 700 C PHE A 41 -5.694 -6.118 7.097 1.00 43.42 C ATOM 701 O PHE A 41 -6.778 -5.666 6.726 1.00 73.34 O ATOM 702 CB PHE A 41 -4.478 -6.137 4.882 1.00 22.32 C ATOM 703 CG PHE A 41 -3.444 -6.791 3.962 1.00 52.12 C ATOM 704 CD1 PHE A 41 -3.688 -8.031 3.363 1.00 20.11 C ATOM 705 CD2 PHE A 41 -2.225 -6.164 3.696 1.00 3.43 C ATOM 706 CE1 PHE A 41 -2.751 -8.614 2.532 1.00 44.30 C ATOM 707 CE2 PHE A 41 -1.293 -6.751 2.865 1.00 34.04 C ATOM 708 CZ PHE A 41 -1.557 -7.971 2.287 1.00 2.43 C ATOM 0 H PHE A 41 -6.270 -7.988 4.989 1.00 32.34 H new ATOM 0 HA PHE A 41 -3.925 -7.274 6.625 1.00 74.24 H new ATOM 0 HB2 PHE A 41 -5.385 -5.947 4.308 1.00 22.32 H new ATOM 0 HB3 PHE A 41 -4.095 -5.168 5.203 1.00 22.32 H new ATOM 0 HD1 PHE A 41 -4.622 -8.540 3.553 1.00 20.11 H new ATOM 0 HD2 PHE A 41 -2.009 -5.207 4.147 1.00 3.43 H new ATOM 0 HE1 PHE A 41 -2.954 -9.571 2.075 1.00 44.30 H new ATOM 0 HE2 PHE A 41 -0.356 -6.252 2.668 1.00 34.04 H new ATOM 0 HZ PHE A 41 -0.825 -8.427 1.638 1.00 2.43 H new ATOM 718 N VAL A 42 -5.205 -5.938 8.330 1.00 33.42 N ATOM 719 CA VAL A 42 -5.853 -5.101 9.348 1.00 43.21 C ATOM 720 C VAL A 42 -5.007 -3.840 9.565 1.00 32.42 C ATOM 721 O VAL A 42 -3.825 -3.936 9.904 1.00 71.13 O ATOM 722 CB VAL A 42 -6.018 -5.869 10.719 1.00 74.13 C ATOM 723 CG1 VAL A 42 -6.765 -4.998 11.767 1.00 4.42 C ATOM 724 CG2 VAL A 42 -6.730 -7.229 10.520 1.00 24.52 C ATOM 0 H VAL A 42 -4.341 -6.373 8.652 1.00 33.42 H new ATOM 0 HA VAL A 42 -6.850 -4.839 8.993 1.00 43.21 H new ATOM 0 HB VAL A 42 -5.018 -6.070 11.104 1.00 74.13 H new ATOM 0 HG11 VAL A 42 -6.863 -5.554 12.699 1.00 4.42 H new ATOM 0 HG12 VAL A 42 -6.201 -4.083 11.948 1.00 4.42 H new ATOM 0 HG13 VAL A 42 -7.756 -4.745 11.390 1.00 4.42 H new ATOM 0 HG21 VAL A 42 -6.828 -7.733 11.482 1.00 24.52 H new ATOM 0 HG22 VAL A 42 -7.720 -7.063 10.095 1.00 24.52 H new ATOM 0 HG23 VAL A 42 -6.144 -7.851 9.843 1.00 24.52 H new ATOM 734 N LEU A 43 -5.614 -2.666 9.371 1.00 32.41 N ATOM 735 CA LEU A 43 -4.976 -1.372 9.638 1.00 22.24 C ATOM 736 C LEU A 43 -5.489 -0.860 10.978 1.00 1.44 C ATOM 737 O LEU A 43 -6.640 -0.470 11.088 1.00 44.42 O ATOM 738 CB LEU A 43 -5.308 -0.350 8.508 1.00 52.11 C ATOM 739 CG LEU A 43 -4.869 1.134 8.760 1.00 31.23 C ATOM 740 CD1 LEU A 43 -3.342 1.261 8.945 1.00 32.51 C ATOM 741 CD2 LEU A 43 -5.389 2.065 7.645 1.00 23.42 C ATOM 0 H LEU A 43 -6.569 -2.585 9.022 1.00 32.41 H new ATOM 0 HA LEU A 43 -3.893 -1.492 9.668 1.00 22.24 H new ATOM 0 HB2 LEU A 43 -4.837 -0.694 7.587 1.00 52.11 H new ATOM 0 HB3 LEU A 43 -6.385 -0.364 8.340 1.00 52.11 H new ATOM 0 HG LEU A 43 -5.326 1.454 9.697 1.00 31.23 H new ATOM 0 HD11 LEU A 43 -3.082 2.305 9.117 1.00 32.51 H new ATOM 0 HD12 LEU A 43 -3.028 0.663 9.801 1.00 32.51 H new ATOM 0 HD13 LEU A 43 -2.836 0.904 8.048 1.00 32.51 H new ATOM 0 HD21 LEU A 43 -5.069 3.087 7.846 1.00 23.42 H new ATOM 0 HD22 LEU A 43 -4.988 1.742 6.684 1.00 23.42 H new ATOM 0 HD23 LEU A 43 -6.478 2.024 7.615 1.00 23.42 H new ATOM 753 N THR A 44 -4.634 -0.904 11.999 1.00 10.22 N ATOM 754 CA THR A 44 -4.940 -0.349 13.321 1.00 42.55 C ATOM 755 C THR A 44 -4.418 1.092 13.394 1.00 52.24 C ATOM 756 O THR A 44 -3.685 1.545 12.498 1.00 4.30 O ATOM 757 CB THR A 44 -4.319 -1.220 14.473 1.00 3.40 C ATOM 758 OG1 THR A 44 -2.886 -1.092 14.492 1.00 11.23 O ATOM 759 CG2 THR A 44 -4.688 -2.703 14.310 1.00 0.40 C ATOM 0 H THR A 44 -3.708 -1.326 11.935 1.00 10.22 H new ATOM 0 HA THR A 44 -6.021 -0.356 13.460 1.00 42.55 H new ATOM 0 HB THR A 44 -4.730 -0.853 15.414 1.00 3.40 H new ATOM 0 HG1 THR A 44 -2.521 -1.376 13.628 1.00 11.23 H new ATOM 0 HG21 THR A 44 -4.244 -3.280 15.121 1.00 0.40 H new ATOM 0 HG22 THR A 44 -5.772 -2.813 14.337 1.00 0.40 H new ATOM 0 HG23 THR A 44 -4.310 -3.069 13.356 1.00 0.40 H new ATOM 767 N LYS A 45 -4.769 1.798 14.478 1.00 4.21 N ATOM 768 CA LYS A 45 -4.358 3.207 14.697 1.00 35.40 C ATOM 769 C LYS A 45 -2.854 3.347 15.050 1.00 13.20 C ATOM 770 O LYS A 45 -2.376 4.458 15.286 1.00 53.12 O ATOM 771 CB LYS A 45 -5.278 3.846 15.779 1.00 73.55 C ATOM 772 CG LYS A 45 -6.752 3.964 15.319 1.00 21.30 C ATOM 773 CD LYS A 45 -7.709 4.480 16.415 1.00 44.11 C ATOM 774 CE LYS A 45 -9.153 4.662 15.896 1.00 12.54 C ATOM 775 NZ LYS A 45 -9.739 3.397 15.365 1.00 43.31 N ATOM 0 H LYS A 45 -5.344 1.417 15.230 1.00 4.21 H new ATOM 0 HA LYS A 45 -4.481 3.750 13.760 1.00 35.40 H new ATOM 0 HB2 LYS A 45 -5.233 3.246 16.688 1.00 73.55 H new ATOM 0 HB3 LYS A 45 -4.900 4.837 16.031 1.00 73.55 H new ATOM 0 HG2 LYS A 45 -6.802 4.635 14.461 1.00 21.30 H new ATOM 0 HG3 LYS A 45 -7.096 2.987 14.980 1.00 21.30 H new ATOM 0 HD2 LYS A 45 -7.711 3.780 17.251 1.00 44.11 H new ATOM 0 HD3 LYS A 45 -7.340 5.432 16.797 1.00 44.11 H new ATOM 0 HE2 LYS A 45 -9.781 5.037 16.705 1.00 12.54 H new ATOM 0 HE3 LYS A 45 -9.160 5.418 15.111 1.00 12.54 H new ATOM 0 HZ1 LYS A 45 -10.739 3.552 15.125 1.00 43.31 H new ATOM 0 HZ2 LYS A 45 -9.220 3.105 14.513 1.00 43.31 H new ATOM 0 HZ3 LYS A 45 -9.667 2.652 16.087 1.00 43.31 H new ATOM 789 N SER A 46 -2.118 2.216 15.059 1.00 44.42 N ATOM 790 CA SER A 46 -0.667 2.190 15.315 1.00 42.11 C ATOM 791 C SER A 46 0.111 1.444 14.218 1.00 34.32 C ATOM 792 O SER A 46 1.210 1.862 13.854 1.00 61.24 O ATOM 793 CB SER A 46 -0.411 1.521 16.677 1.00 2.43 C ATOM 794 OG SER A 46 -0.986 2.283 17.717 1.00 14.32 O ATOM 0 H SER A 46 -2.517 1.293 14.888 1.00 44.42 H new ATOM 0 HA SER A 46 -0.310 3.220 15.317 1.00 42.11 H new ATOM 0 HB2 SER A 46 -0.831 0.515 16.680 1.00 2.43 H new ATOM 0 HB3 SER A 46 0.661 1.419 16.843 1.00 2.43 H new ATOM 0 HG SER A 46 -0.816 1.844 18.577 1.00 14.32 H new ATOM 800 N MET A 47 -0.461 0.343 13.682 1.00 52.41 N ATOM 801 CA MET A 47 0.267 -0.575 12.765 1.00 50.02 C ATOM 802 C MET A 47 -0.670 -1.175 11.687 1.00 3.13 C ATOM 803 O MET A 47 -1.796 -1.572 11.987 1.00 70.22 O ATOM 804 CB MET A 47 0.951 -1.737 13.576 1.00 33.14 C ATOM 805 CG MET A 47 2.145 -1.317 14.465 1.00 53.14 C ATOM 806 SD MET A 47 2.843 -2.673 15.435 1.00 23.12 S ATOM 807 CE MET A 47 1.558 -2.976 16.656 1.00 53.42 C ATOM 0 H MET A 47 -1.425 0.065 13.866 1.00 52.41 H new ATOM 0 HA MET A 47 1.032 0.015 12.260 1.00 50.02 H new ATOM 0 HB2 MET A 47 0.198 -2.207 14.208 1.00 33.14 H new ATOM 0 HB3 MET A 47 1.294 -2.495 12.872 1.00 33.14 H new ATOM 0 HG2 MET A 47 2.926 -0.895 13.833 1.00 53.14 H new ATOM 0 HG3 MET A 47 1.822 -0.527 15.142 1.00 53.14 H new ATOM 0 HE1 MET A 47 1.922 -3.687 17.398 1.00 53.42 H new ATOM 0 HE2 MET A 47 1.296 -2.039 17.148 1.00 53.42 H new ATOM 0 HE3 MET A 47 0.677 -3.386 16.163 1.00 53.42 H new ATOM 817 N LEU A 48 -0.159 -1.276 10.444 1.00 51.11 N ATOM 818 CA LEU A 48 -0.800 -2.024 9.341 1.00 54.43 C ATOM 819 C LEU A 48 -0.191 -3.441 9.311 1.00 65.53 C ATOM 820 O LEU A 48 0.942 -3.637 8.863 1.00 53.02 O ATOM 821 CB LEU A 48 -0.565 -1.298 7.978 1.00 72.55 C ATOM 822 CG LEU A 48 -1.036 -2.058 6.685 1.00 64.32 C ATOM 823 CD1 LEU A 48 -2.548 -2.366 6.711 1.00 20.40 C ATOM 824 CD2 LEU A 48 -0.642 -1.280 5.411 1.00 24.34 C ATOM 0 H LEU A 48 0.720 -0.836 10.173 1.00 51.11 H new ATOM 0 HA LEU A 48 -1.877 -2.081 9.502 1.00 54.43 H new ATOM 0 HB2 LEU A 48 -1.075 -0.335 8.012 1.00 72.55 H new ATOM 0 HB3 LEU A 48 0.501 -1.090 7.882 1.00 72.55 H new ATOM 0 HG LEU A 48 -0.519 -3.017 6.668 1.00 64.32 H new ATOM 0 HD11 LEU A 48 -2.828 -2.891 5.798 1.00 20.40 H new ATOM 0 HD12 LEU A 48 -2.777 -2.991 7.574 1.00 20.40 H new ATOM 0 HD13 LEU A 48 -3.108 -1.433 6.779 1.00 20.40 H new ATOM 0 HD21 LEU A 48 -0.980 -1.828 4.531 1.00 24.34 H new ATOM 0 HD22 LEU A 48 -1.109 -0.295 5.427 1.00 24.34 H new ATOM 0 HD23 LEU A 48 0.441 -1.167 5.374 1.00 24.34 H new ATOM 836 N THR A 49 -0.951 -4.414 9.824 1.00 3.41 N ATOM 837 CA THR A 49 -0.481 -5.788 10.045 1.00 3.55 C ATOM 838 C THR A 49 -1.299 -6.783 9.197 1.00 5.35 C ATOM 839 O THR A 49 -2.530 -6.796 9.271 1.00 20.01 O ATOM 840 CB THR A 49 -0.610 -6.146 11.563 1.00 24.23 C ATOM 841 OG1 THR A 49 0.048 -5.127 12.348 1.00 1.25 O ATOM 842 CG2 THR A 49 -0.001 -7.521 11.892 1.00 30.53 C ATOM 0 H THR A 49 -1.922 -4.269 10.101 1.00 3.41 H new ATOM 0 HA THR A 49 0.564 -5.857 9.743 1.00 3.55 H new ATOM 0 HB THR A 49 -1.672 -6.192 11.805 1.00 24.23 H new ATOM 0 HG1 THR A 49 -0.031 -5.345 13.300 1.00 1.25 H new ATOM 0 HG21 THR A 49 -0.115 -7.724 12.957 1.00 30.53 H new ATOM 0 HG22 THR A 49 -0.514 -8.293 11.318 1.00 30.53 H new ATOM 0 HG23 THR A 49 1.058 -7.521 11.634 1.00 30.53 H new ATOM 850 N TYR A 50 -0.606 -7.612 8.401 1.00 60.11 N ATOM 851 CA TYR A 50 -1.237 -8.654 7.569 1.00 53.41 C ATOM 852 C TYR A 50 -1.025 -10.038 8.212 1.00 14.21 C ATOM 853 O TYR A 50 0.080 -10.363 8.649 1.00 55.21 O ATOM 854 CB TYR A 50 -0.689 -8.600 6.106 1.00 23.43 C ATOM 855 CG TYR A 50 0.840 -8.413 5.971 1.00 65.32 C ATOM 856 CD1 TYR A 50 1.713 -9.502 5.989 1.00 62.24 C ATOM 857 CD2 TYR A 50 1.402 -7.138 5.818 1.00 63.45 C ATOM 858 CE1 TYR A 50 3.079 -9.336 5.858 1.00 53.30 C ATOM 859 CE2 TYR A 50 2.770 -6.967 5.688 1.00 62.34 C ATOM 860 CZ TYR A 50 3.601 -8.069 5.706 1.00 45.42 C ATOM 861 OH TYR A 50 4.961 -7.902 5.576 1.00 42.30 O ATOM 0 H TYR A 50 0.410 -7.580 8.314 1.00 60.11 H new ATOM 0 HA TYR A 50 -2.310 -8.470 7.516 1.00 53.41 H new ATOM 0 HB2 TYR A 50 -0.970 -9.522 5.598 1.00 23.43 H new ATOM 0 HB3 TYR A 50 -1.184 -7.783 5.582 1.00 23.43 H new ATOM 0 HD1 TYR A 50 1.312 -10.498 6.108 1.00 62.24 H new ATOM 0 HD2 TYR A 50 0.756 -6.273 5.801 1.00 63.45 H new ATOM 0 HE1 TYR A 50 3.734 -10.194 5.875 1.00 53.30 H new ATOM 0 HE2 TYR A 50 3.185 -5.976 5.573 1.00 62.34 H new ATOM 0 HH TYR A 50 5.166 -6.949 5.477 1.00 42.30 H new ATOM 871 N TYR A 51 -2.120 -10.807 8.323 1.00 24.42 N ATOM 872 CA TYR A 51 -2.114 -12.170 8.891 1.00 12.34 C ATOM 873 C TYR A 51 -2.284 -13.202 7.774 1.00 41.12 C ATOM 874 O TYR A 51 -3.230 -13.125 6.987 1.00 75.53 O ATOM 875 CB TYR A 51 -3.256 -12.304 9.926 1.00 64.22 C ATOM 876 CG TYR A 51 -3.132 -11.314 11.090 1.00 52.13 C ATOM 877 CD1 TYR A 51 -3.619 -10.003 10.985 1.00 4.33 C ATOM 878 CD2 TYR A 51 -2.501 -11.679 12.281 1.00 41.31 C ATOM 879 CE1 TYR A 51 -3.479 -9.105 12.022 1.00 52.13 C ATOM 880 CE2 TYR A 51 -2.367 -10.783 13.321 1.00 40.21 C ATOM 881 CZ TYR A 51 -2.853 -9.500 13.184 1.00 2.02 C ATOM 882 OH TYR A 51 -2.710 -8.597 14.217 1.00 22.33 O ATOM 0 H TYR A 51 -3.044 -10.500 8.019 1.00 24.42 H new ATOM 0 HA TYR A 51 -1.161 -12.351 9.389 1.00 12.34 H new ATOM 0 HB2 TYR A 51 -4.212 -12.149 9.426 1.00 64.22 H new ATOM 0 HB3 TYR A 51 -3.264 -13.320 10.320 1.00 64.22 H new ATOM 0 HD1 TYR A 51 -4.112 -9.691 10.076 1.00 4.33 H new ATOM 0 HD2 TYR A 51 -2.111 -12.680 12.390 1.00 41.31 H new ATOM 0 HE1 TYR A 51 -3.858 -8.098 11.924 1.00 52.13 H new ATOM 0 HE2 TYR A 51 -1.884 -11.085 14.238 1.00 40.21 H new ATOM 0 HH TYR A 51 -2.249 -9.028 14.967 1.00 22.33 H new ATOM 1081 N PHE A 63 4.804 -7.104 9.462 1.00 23.52 N ATOM 1082 CA PHE A 63 3.889 -6.049 9.885 1.00 12.24 C ATOM 1083 C PHE A 63 4.581 -4.713 9.605 1.00 64.52 C ATOM 1084 O PHE A 63 5.810 -4.656 9.480 1.00 22.30 O ATOM 1085 CB PHE A 63 3.489 -6.183 11.388 1.00 24.34 C ATOM 1086 CG PHE A 63 4.626 -6.022 12.403 1.00 35.43 C ATOM 1087 CD1 PHE A 63 5.550 -7.049 12.616 1.00 21.55 C ATOM 1088 CD2 PHE A 63 4.763 -4.849 13.155 1.00 31.32 C ATOM 1089 CE1 PHE A 63 6.569 -6.908 13.541 1.00 72.34 C ATOM 1090 CE2 PHE A 63 5.783 -4.712 14.077 1.00 40.21 C ATOM 1091 CZ PHE A 63 6.685 -5.740 14.268 1.00 51.11 C ATOM 0 HA PHE A 63 2.954 -6.122 9.329 1.00 12.24 H new ATOM 0 HB2 PHE A 63 2.724 -5.438 11.608 1.00 24.34 H new ATOM 0 HB3 PHE A 63 3.032 -7.162 11.536 1.00 24.34 H new ATOM 0 HD1 PHE A 63 5.467 -7.965 12.051 1.00 21.55 H new ATOM 0 HD2 PHE A 63 4.062 -4.040 13.012 1.00 31.32 H new ATOM 0 HE1 PHE A 63 7.274 -7.712 13.694 1.00 72.34 H new ATOM 0 HE2 PHE A 63 5.875 -3.800 14.649 1.00 40.21 H new ATOM 0 HZ PHE A 63 7.483 -5.630 14.988 1.00 51.11 H new ATOM 1101 N ILE A 64 3.799 -3.647 9.477 1.00 45.30 N ATOM 1102 CA ILE A 64 4.319 -2.294 9.211 1.00 1.51 C ATOM 1103 C ILE A 64 3.704 -1.332 10.241 1.00 4.11 C ATOM 1104 O ILE A 64 2.542 -1.478 10.590 1.00 1.24 O ATOM 1105 CB ILE A 64 3.969 -1.819 7.742 1.00 55.10 C ATOM 1106 CG1 ILE A 64 4.392 -2.892 6.676 1.00 32.31 C ATOM 1107 CG2 ILE A 64 4.644 -0.462 7.438 1.00 10.30 C ATOM 1108 CD1 ILE A 64 3.947 -2.591 5.250 1.00 44.20 C ATOM 0 H ILE A 64 2.783 -3.688 9.554 1.00 45.30 H new ATOM 0 HA ILE A 64 5.406 -2.302 9.298 1.00 1.51 H new ATOM 0 HB ILE A 64 2.888 -1.696 7.681 1.00 55.10 H new ATOM 0 HG12 ILE A 64 5.478 -2.988 6.690 1.00 32.31 H new ATOM 0 HG13 ILE A 64 3.983 -3.858 6.972 1.00 32.31 H new ATOM 0 HG21 ILE A 64 4.393 -0.150 6.424 1.00 10.30 H new ATOM 0 HG22 ILE A 64 4.290 0.287 8.146 1.00 10.30 H new ATOM 0 HG23 ILE A 64 5.725 -0.565 7.529 1.00 10.30 H new ATOM 0 HD11 ILE A 64 4.285 -3.388 4.587 1.00 44.20 H new ATOM 0 HD12 ILE A 64 2.859 -2.527 5.214 1.00 44.20 H new ATOM 0 HD13 ILE A 64 4.377 -1.643 4.927 1.00 44.20 H new ATOM 1120 N ASP A 65 4.503 -0.391 10.750 1.00 41.31 N ATOM 1121 CA ASP A 65 4.033 0.667 11.674 1.00 31.12 C ATOM 1122 C ASP A 65 3.635 1.910 10.848 1.00 71.44 C ATOM 1123 O ASP A 65 4.278 2.211 9.840 1.00 1.10 O ATOM 1124 CB ASP A 65 5.160 0.973 12.699 1.00 10.10 C ATOM 1125 CG ASP A 65 4.867 2.144 13.655 1.00 4.40 C ATOM 1126 OD1 ASP A 65 4.156 1.955 14.667 1.00 41.43 O ATOM 1127 OD2 ASP A 65 5.360 3.263 13.402 1.00 71.01 O ATOM 0 H ASP A 65 5.499 -0.333 10.538 1.00 41.31 H new ATOM 0 HA ASP A 65 3.154 0.345 12.233 1.00 31.12 H new ATOM 0 HB2 ASP A 65 5.345 0.077 13.292 1.00 10.10 H new ATOM 0 HB3 ASP A 65 6.078 1.190 12.153 1.00 10.10 H new ATOM 1132 N VAL A 66 2.578 2.622 11.289 1.00 15.45 N ATOM 1133 CA VAL A 66 1.978 3.767 10.550 1.00 23.22 C ATOM 1134 C VAL A 66 2.952 4.972 10.460 1.00 61.32 C ATOM 1135 O VAL A 66 2.974 5.687 9.448 1.00 40.55 O ATOM 1136 CB VAL A 66 0.589 4.188 11.190 1.00 22.44 C ATOM 1137 CG1 VAL A 66 0.018 5.498 10.578 1.00 41.21 C ATOM 1138 CG2 VAL A 66 -0.444 3.035 11.053 1.00 21.32 C ATOM 0 H VAL A 66 2.109 2.423 12.173 1.00 15.45 H new ATOM 0 HA VAL A 66 1.790 3.436 9.529 1.00 23.22 H new ATOM 0 HB VAL A 66 0.775 4.384 12.246 1.00 22.44 H new ATOM 0 HG11 VAL A 66 -0.933 5.737 11.054 1.00 41.21 H new ATOM 0 HG12 VAL A 66 0.722 6.314 10.743 1.00 41.21 H new ATOM 0 HG13 VAL A 66 -0.136 5.363 9.507 1.00 41.21 H new ATOM 0 HG21 VAL A 66 -1.391 3.341 11.497 1.00 21.32 H new ATOM 0 HG22 VAL A 66 -0.595 2.805 9.998 1.00 21.32 H new ATOM 0 HG23 VAL A 66 -0.071 2.149 11.567 1.00 21.32 H new ATOM 1148 N SER A 67 3.787 5.159 11.499 1.00 32.01 N ATOM 1149 CA SER A 67 4.819 6.213 11.504 1.00 33.23 C ATOM 1150 C SER A 67 6.016 5.838 10.603 1.00 55.11 C ATOM 1151 O SER A 67 6.884 6.673 10.342 1.00 45.13 O ATOM 1152 CB SER A 67 5.300 6.494 12.939 1.00 65.15 C ATOM 1153 OG SER A 67 4.235 6.917 13.770 1.00 22.10 O ATOM 0 H SER A 67 3.767 4.593 12.347 1.00 32.01 H new ATOM 0 HA SER A 67 4.366 7.118 11.100 1.00 33.23 H new ATOM 0 HB2 SER A 67 5.752 5.594 13.355 1.00 65.15 H new ATOM 0 HB3 SER A 67 6.075 7.260 12.921 1.00 65.15 H new ATOM 0 HG SER A 67 4.573 7.086 14.674 1.00 22.10 H new ATOM 1159 N LYS A 68 6.062 4.572 10.141 1.00 74.15 N ATOM 1160 CA LYS A 68 7.086 4.099 9.187 1.00 74.45 C ATOM 1161 C LYS A 68 6.583 4.245 7.745 1.00 5.21 C ATOM 1162 O LYS A 68 7.386 4.376 6.817 1.00 20.02 O ATOM 1163 CB LYS A 68 7.485 2.627 9.467 1.00 64.12 C ATOM 1164 CG LYS A 68 7.968 2.375 10.907 1.00 51.20 C ATOM 1165 CD LYS A 68 9.166 3.261 11.324 1.00 31.43 C ATOM 1166 CE LYS A 68 9.514 3.106 12.815 1.00 50.52 C ATOM 1167 NZ LYS A 68 8.364 3.438 13.700 1.00 54.04 N ATOM 0 H LYS A 68 5.394 3.852 10.417 1.00 74.15 H new ATOM 0 HA LYS A 68 7.973 4.719 9.319 1.00 74.45 H new ATOM 0 HB2 LYS A 68 6.629 1.984 9.264 1.00 64.12 H new ATOM 0 HB3 LYS A 68 8.274 2.336 8.773 1.00 64.12 H new ATOM 0 HG2 LYS A 68 7.141 2.551 11.595 1.00 51.20 H new ATOM 0 HG3 LYS A 68 8.250 1.327 11.008 1.00 51.20 H new ATOM 0 HD2 LYS A 68 10.036 3.000 10.721 1.00 31.43 H new ATOM 0 HD3 LYS A 68 8.934 4.305 11.114 1.00 31.43 H new ATOM 0 HE2 LYS A 68 9.834 2.082 13.007 1.00 50.52 H new ATOM 0 HE3 LYS A 68 10.356 3.754 13.059 1.00 50.52 H new ATOM 0 HZ1 LYS A 68 8.705 3.585 14.672 1.00 54.04 H new ATOM 0 HZ2 LYS A 68 7.903 4.306 13.360 1.00 54.04 H new ATOM 0 HZ3 LYS A 68 7.679 2.655 13.688 1.00 54.04 H new ATOM 1181 N ILE A 69 5.245 4.210 7.570 1.00 42.25 N ATOM 1182 CA ILE A 69 4.596 4.361 6.256 1.00 44.53 C ATOM 1183 C ILE A 69 4.759 5.817 5.764 1.00 0.22 C ATOM 1184 O ILE A 69 3.981 6.702 6.121 1.00 64.02 O ATOM 1185 CB ILE A 69 3.070 3.976 6.314 1.00 73.11 C ATOM 1186 CG1 ILE A 69 2.862 2.536 6.873 1.00 34.43 C ATOM 1187 CG2 ILE A 69 2.420 4.121 4.923 1.00 2.51 C ATOM 1188 CD1 ILE A 69 1.404 2.108 7.057 1.00 41.42 C ATOM 0 H ILE A 69 4.587 4.076 8.338 1.00 42.25 H new ATOM 0 HA ILE A 69 5.080 3.679 5.557 1.00 44.53 H new ATOM 0 HB ILE A 69 2.581 4.668 7.000 1.00 73.11 H new ATOM 0 HG12 ILE A 69 3.348 1.830 6.200 1.00 34.43 H new ATOM 0 HG13 ILE A 69 3.369 2.461 7.835 1.00 34.43 H new ATOM 0 HG21 ILE A 69 1.366 3.850 4.984 1.00 2.51 H new ATOM 0 HG22 ILE A 69 2.511 5.153 4.585 1.00 2.51 H new ATOM 0 HG23 ILE A 69 2.923 3.462 4.216 1.00 2.51 H new ATOM 0 HD11 ILE A 69 1.370 1.092 7.450 1.00 41.42 H new ATOM 0 HD12 ILE A 69 0.912 2.784 7.756 1.00 41.42 H new ATOM 0 HD13 ILE A 69 0.891 2.143 6.096 1.00 41.42 H new ATOM 1200 N LYS A 70 5.814 6.044 4.975 1.00 64.34 N ATOM 1201 CA LYS A 70 6.203 7.382 4.487 1.00 4.42 C ATOM 1202 C LYS A 70 5.315 7.870 3.319 1.00 12.35 C ATOM 1203 O LYS A 70 5.299 9.068 3.011 1.00 12.12 O ATOM 1204 CB LYS A 70 7.694 7.356 4.061 1.00 74.10 C ATOM 1205 CG LYS A 70 8.688 7.044 5.212 1.00 3.14 C ATOM 1206 CD LYS A 70 10.182 7.176 4.799 1.00 41.41 C ATOM 1207 CE LYS A 70 10.741 5.954 4.034 1.00 1.34 C ATOM 1208 NZ LYS A 70 10.021 5.652 2.764 1.00 2.14 N ATOM 0 H LYS A 70 6.432 5.300 4.651 1.00 64.34 H new ATOM 0 HA LYS A 70 6.059 8.090 5.303 1.00 4.42 H new ATOM 0 HB2 LYS A 70 7.821 6.610 3.276 1.00 74.10 H new ATOM 0 HB3 LYS A 70 7.952 8.322 3.628 1.00 74.10 H new ATOM 0 HG2 LYS A 70 8.489 7.718 6.045 1.00 3.14 H new ATOM 0 HG3 LYS A 70 8.508 6.031 5.572 1.00 3.14 H new ATOM 0 HD2 LYS A 70 10.298 8.063 4.177 1.00 41.41 H new ATOM 0 HD3 LYS A 70 10.782 7.334 5.695 1.00 41.41 H new ATOM 0 HE2 LYS A 70 11.793 6.129 3.810 1.00 1.34 H new ATOM 0 HE3 LYS A 70 10.694 5.080 4.683 1.00 1.34 H new ATOM 0 HZ1 LYS A 70 10.651 5.126 2.125 1.00 2.14 H new ATOM 0 HZ2 LYS A 70 9.179 5.077 2.970 1.00 2.14 H new ATOM 0 HZ3 LYS A 70 9.730 6.541 2.310 1.00 2.14 H new ATOM 1222 N CYS A 71 4.590 6.933 2.680 1.00 3.33 N ATOM 1223 CA CYS A 71 3.760 7.224 1.492 1.00 34.33 C ATOM 1224 C CYS A 71 2.826 6.046 1.187 1.00 62.43 C ATOM 1225 O CYS A 71 3.238 4.890 1.299 1.00 53.13 O ATOM 1226 CB CYS A 71 4.656 7.509 0.259 1.00 43.20 C ATOM 1227 SG CYS A 71 3.770 7.623 -1.309 1.00 13.14 S ATOM 0 H CYS A 71 4.562 5.956 2.970 1.00 3.33 H new ATOM 0 HA CYS A 71 3.160 8.108 1.707 1.00 34.33 H new ATOM 0 HB2 CYS A 71 5.193 8.443 0.426 1.00 43.20 H new ATOM 0 HB3 CYS A 71 5.404 6.720 0.181 1.00 43.20 H new ATOM 0 HG CYS A 71 2.861 8.549 -1.227 1.00 13.14 H new ATOM 1233 N VAL A 72 1.553 6.352 0.837 1.00 13.41 N ATOM 1234 CA VAL A 72 0.610 5.383 0.225 1.00 25.24 C ATOM 1235 C VAL A 72 -0.178 6.079 -0.884 1.00 11.32 C ATOM 1236 O VAL A 72 -0.856 7.084 -0.640 1.00 5.14 O ATOM 1237 CB VAL A 72 -0.417 4.730 1.235 1.00 54.35 C ATOM 1238 CG1 VAL A 72 -1.502 3.892 0.488 1.00 21.44 C ATOM 1239 CG2 VAL A 72 0.311 3.843 2.254 1.00 5.30 C ATOM 0 H VAL A 72 1.150 7.279 0.971 1.00 13.41 H new ATOM 0 HA VAL A 72 1.229 4.570 -0.155 1.00 25.24 H new ATOM 0 HB VAL A 72 -0.915 5.545 1.761 1.00 54.35 H new ATOM 0 HG11 VAL A 72 -2.190 3.458 1.214 1.00 21.44 H new ATOM 0 HG12 VAL A 72 -2.054 4.538 -0.195 1.00 21.44 H new ATOM 0 HG13 VAL A 72 -1.020 3.094 -0.077 1.00 21.44 H new ATOM 0 HG21 VAL A 72 -0.415 3.404 2.939 1.00 5.30 H new ATOM 0 HG22 VAL A 72 0.843 3.048 1.730 1.00 5.30 H new ATOM 0 HG23 VAL A 72 1.023 4.446 2.818 1.00 5.30 H new ATOM 1249 N GLU A 73 -0.092 5.512 -2.087 1.00 53.50 N ATOM 1250 CA GLU A 73 -0.875 5.948 -3.239 1.00 42.41 C ATOM 1251 C GLU A 73 -1.052 4.752 -4.185 1.00 3.43 C ATOM 1252 O GLU A 73 -0.469 3.681 -3.963 1.00 14.24 O ATOM 1253 CB GLU A 73 -0.217 7.180 -3.945 1.00 71.12 C ATOM 1254 CG GLU A 73 -1.197 8.026 -4.790 1.00 30.11 C ATOM 1255 CD GLU A 73 -0.597 9.349 -5.281 1.00 71.03 C ATOM 1256 OE1 GLU A 73 -0.644 10.360 -4.539 1.00 72.12 O ATOM 1257 OE2 GLU A 73 -0.076 9.389 -6.401 1.00 14.33 O ATOM 0 H GLU A 73 0.530 4.729 -2.289 1.00 53.50 H new ATOM 0 HA GLU A 73 -1.858 6.288 -2.914 1.00 42.41 H new ATOM 0 HB2 GLU A 73 0.236 7.819 -3.187 1.00 71.12 H new ATOM 0 HB3 GLU A 73 0.589 6.828 -4.589 1.00 71.12 H new ATOM 0 HG2 GLU A 73 -1.520 7.441 -5.651 1.00 30.11 H new ATOM 0 HG3 GLU A 73 -2.086 8.238 -4.197 1.00 30.11 H new ATOM 1264 N ILE A 74 -1.905 4.926 -5.197 1.00 21.41 N ATOM 1265 CA ILE A 74 -2.175 3.909 -6.215 1.00 1.13 C ATOM 1266 C ILE A 74 -0.908 3.616 -7.053 1.00 42.01 C ATOM 1267 O ILE A 74 0.022 4.436 -7.110 1.00 40.41 O ATOM 1268 CB ILE A 74 -3.396 4.371 -7.120 1.00 52.14 C ATOM 1269 CG1 ILE A 74 -3.090 5.658 -7.993 1.00 10.23 C ATOM 1270 CG2 ILE A 74 -4.630 4.627 -6.228 1.00 13.43 C ATOM 1271 CD1 ILE A 74 -2.518 5.398 -9.379 1.00 42.12 C ATOM 0 H ILE A 74 -2.434 5.787 -5.334 1.00 21.41 H new ATOM 0 HA ILE A 74 -2.451 2.974 -5.727 1.00 1.13 H new ATOM 0 HB ILE A 74 -3.588 3.561 -7.824 1.00 52.14 H new ATOM 0 HG12 ILE A 74 -4.013 6.227 -8.103 1.00 10.23 H new ATOM 0 HG13 ILE A 74 -2.390 6.288 -7.444 1.00 10.23 H new ATOM 0 HG21 ILE A 74 -5.468 4.944 -6.849 1.00 13.43 H new ATOM 0 HG22 ILE A 74 -4.895 3.710 -5.701 1.00 13.43 H new ATOM 0 HG23 ILE A 74 -4.399 5.408 -5.503 1.00 13.43 H new ATOM 0 HD11 ILE A 74 -2.348 6.348 -9.886 1.00 42.12 H new ATOM 0 HD12 ILE A 74 -1.574 4.861 -9.288 1.00 42.12 H new ATOM 0 HD13 ILE A 74 -3.222 4.799 -9.957 1.00 42.12 H new ATOM 1283 N VAL A 75 -0.885 2.447 -7.706 1.00 42.45 N ATOM 1284 CA VAL A 75 0.175 2.091 -8.664 1.00 3.12 C ATOM 1285 C VAL A 75 -0.395 2.343 -10.062 1.00 34.44 C ATOM 1286 O VAL A 75 -1.454 1.786 -10.404 1.00 52.55 O ATOM 1287 CB VAL A 75 0.644 0.590 -8.552 1.00 51.12 C ATOM 1288 CG1 VAL A 75 1.879 0.326 -9.453 1.00 43.32 C ATOM 1289 CG2 VAL A 75 0.935 0.203 -7.088 1.00 52.13 C ATOM 0 H VAL A 75 -1.595 1.724 -7.588 1.00 42.45 H new ATOM 0 HA VAL A 75 1.056 2.696 -8.451 1.00 3.12 H new ATOM 0 HB VAL A 75 -0.172 -0.040 -8.905 1.00 51.12 H new ATOM 0 HG11 VAL A 75 2.183 -0.716 -9.358 1.00 43.32 H new ATOM 0 HG12 VAL A 75 1.623 0.536 -10.492 1.00 43.32 H new ATOM 0 HG13 VAL A 75 2.700 0.973 -9.144 1.00 43.32 H new ATOM 0 HG21 VAL A 75 1.256 -0.838 -7.044 1.00 52.13 H new ATOM 0 HG22 VAL A 75 1.723 0.843 -6.692 1.00 52.13 H new ATOM 0 HG23 VAL A 75 0.031 0.329 -6.492 1.00 52.13 H new ATOM 1299 N LYS A 76 0.280 3.198 -10.844 1.00 21.24 N ATOM 1300 CA LYS A 76 -0.189 3.590 -12.176 1.00 2.35 C ATOM 1301 C LYS A 76 -0.060 2.408 -13.153 1.00 13.25 C ATOM 1302 O LYS A 76 1.026 2.137 -13.700 1.00 74.13 O ATOM 1303 CB LYS A 76 0.600 4.822 -12.681 1.00 34.10 C ATOM 1304 CG LYS A 76 0.459 6.078 -11.789 1.00 65.22 C ATOM 1305 CD LYS A 76 1.218 7.295 -12.366 1.00 43.23 C ATOM 1306 CE LYS A 76 0.696 7.722 -13.747 1.00 53.43 C ATOM 1307 NZ LYS A 76 1.521 8.802 -14.347 1.00 34.51 N ATOM 0 H LYS A 76 1.161 3.634 -10.571 1.00 21.24 H new ATOM 0 HA LYS A 76 -1.242 3.866 -12.116 1.00 2.35 H new ATOM 0 HB2 LYS A 76 1.655 4.558 -12.753 1.00 34.10 H new ATOM 0 HB3 LYS A 76 0.263 5.067 -13.688 1.00 34.10 H new ATOM 0 HG2 LYS A 76 -0.596 6.328 -11.682 1.00 65.22 H new ATOM 0 HG3 LYS A 76 0.837 5.857 -10.791 1.00 65.22 H new ATOM 0 HD2 LYS A 76 1.131 8.133 -11.675 1.00 43.23 H new ATOM 0 HD3 LYS A 76 2.278 7.054 -12.442 1.00 43.23 H new ATOM 0 HE2 LYS A 76 0.688 6.860 -14.414 1.00 53.43 H new ATOM 0 HE3 LYS A 76 -0.335 8.063 -13.655 1.00 53.43 H new ATOM 0 HZ1 LYS A 76 1.133 9.059 -15.277 1.00 34.51 H new ATOM 0 HZ2 LYS A 76 1.508 9.635 -13.725 1.00 34.51 H new ATOM 0 HZ3 LYS A 76 2.500 8.469 -14.460 1.00 34.51 H new ATOM 1382 N ILE A 82 -2.114 -6.964 -15.244 1.00 63.02 N ATOM 1383 CA ILE A 82 -2.298 -7.248 -13.815 1.00 72.34 C ATOM 1384 C ILE A 82 -2.346 -8.782 -13.634 1.00 1.13 C ATOM 1385 O ILE A 82 -3.377 -9.409 -13.917 1.00 35.32 O ATOM 1386 CB ILE A 82 -3.592 -6.569 -13.226 1.00 74.44 C ATOM 1387 CG1 ILE A 82 -3.517 -5.012 -13.366 1.00 33.02 C ATOM 1388 CG2 ILE A 82 -3.814 -6.981 -11.746 1.00 42.51 C ATOM 1389 CD1 ILE A 82 -2.349 -4.352 -12.635 1.00 74.11 C ATOM 0 HA ILE A 82 -1.461 -6.824 -13.260 1.00 72.34 H new ATOM 0 HB ILE A 82 -4.447 -6.920 -13.803 1.00 74.44 H new ATOM 0 HG12 ILE A 82 -3.452 -4.760 -14.425 1.00 33.02 H new ATOM 0 HG13 ILE A 82 -4.448 -4.584 -12.993 1.00 33.02 H new ATOM 0 HG21 ILE A 82 -4.714 -6.498 -11.365 1.00 42.51 H new ATOM 0 HG22 ILE A 82 -3.929 -8.063 -11.683 1.00 42.51 H new ATOM 0 HG23 ILE A 82 -2.956 -6.672 -11.150 1.00 42.51 H new ATOM 0 HD11 ILE A 82 -2.384 -3.274 -12.792 1.00 74.11 H new ATOM 0 HD12 ILE A 82 -2.420 -4.566 -11.568 1.00 74.11 H new ATOM 0 HD13 ILE A 82 -1.409 -4.745 -13.022 1.00 74.11 H new ATOM 1401 N PRO A 83 -1.209 -9.414 -13.224 1.00 52.42 N ATOM 1402 CA PRO A 83 -1.123 -10.880 -13.012 1.00 75.20 C ATOM 1403 C PRO A 83 -1.741 -11.294 -11.653 1.00 75.33 C ATOM 1404 O PRO A 83 -1.040 -11.751 -10.738 1.00 2.13 O ATOM 1405 CB PRO A 83 0.407 -11.119 -13.076 1.00 23.50 C ATOM 1406 CG PRO A 83 1.004 -9.862 -12.513 1.00 61.43 C ATOM 1407 CD PRO A 83 0.096 -8.740 -12.944 1.00 64.32 C ATOM 0 HA PRO A 83 -1.679 -11.474 -13.738 1.00 75.20 H new ATOM 0 HB2 PRO A 83 0.698 -11.993 -12.493 1.00 23.50 H new ATOM 0 HB3 PRO A 83 0.740 -11.293 -14.099 1.00 23.50 H new ATOM 0 HG2 PRO A 83 1.070 -9.915 -11.426 1.00 61.43 H new ATOM 0 HG3 PRO A 83 2.016 -9.710 -12.887 1.00 61.43 H new ATOM 0 HD2 PRO A 83 -0.004 -7.986 -12.163 1.00 64.32 H new ATOM 0 HD3 PRO A 83 0.481 -8.233 -13.829 1.00 64.32 H new ATOM 1415 N CYS A 84 -3.072 -11.132 -11.555 1.00 43.42 N ATOM 1416 CA CYS A 84 -3.838 -11.297 -10.306 1.00 51.24 C ATOM 1417 C CYS A 84 -5.346 -11.187 -10.605 1.00 75.54 C ATOM 1418 O CYS A 84 -5.732 -10.543 -11.592 1.00 53.24 O ATOM 1419 CB CYS A 84 -3.407 -10.206 -9.292 1.00 12.20 C ATOM 1420 SG CYS A 84 -4.262 -10.256 -7.706 1.00 75.23 S ATOM 0 H CYS A 84 -3.655 -10.879 -12.353 1.00 43.42 H new ATOM 0 HA CYS A 84 -3.638 -12.279 -9.877 1.00 51.24 H new ATOM 0 HB2 CYS A 84 -2.336 -10.301 -9.113 1.00 12.20 H new ATOM 0 HB3 CYS A 84 -3.569 -9.227 -9.744 1.00 12.20 H new ATOM 0 HG CYS A 84 -3.563 -9.617 -6.816 1.00 75.23 H new ATOM 1426 N GLN A 85 -6.198 -11.823 -9.759 1.00 73.21 N ATOM 1427 CA GLN A 85 -7.675 -11.708 -9.884 1.00 63.03 C ATOM 1428 C GLN A 85 -8.120 -10.317 -9.391 1.00 34.31 C ATOM 1429 O GLN A 85 -9.084 -9.734 -9.906 1.00 25.13 O ATOM 1430 CB GLN A 85 -8.418 -12.840 -9.097 1.00 24.13 C ATOM 1431 CG GLN A 85 -8.483 -12.655 -7.557 1.00 12.01 C ATOM 1432 CD GLN A 85 -9.186 -13.797 -6.820 1.00 43.10 C ATOM 1433 OE1 GLN A 85 -10.049 -14.483 -7.367 1.00 21.23 O ATOM 1434 NE2 GLN A 85 -8.857 -13.972 -5.553 1.00 62.15 N ATOM 0 H GLN A 85 -5.890 -12.416 -8.989 1.00 73.21 H new ATOM 0 HA GLN A 85 -7.942 -11.826 -10.934 1.00 63.03 H new ATOM 0 HB2 GLN A 85 -9.436 -12.915 -9.479 1.00 24.13 H new ATOM 0 HB3 GLN A 85 -7.926 -13.789 -9.310 1.00 24.13 H new ATOM 0 HG2 GLN A 85 -7.469 -12.557 -7.170 1.00 12.01 H new ATOM 0 HG3 GLN A 85 -9.000 -11.721 -7.335 1.00 12.01 H new ATOM 0 HE21 GLN A 85 -8.137 -13.387 -5.128 1.00 62.15 H new ATOM 0 HE22 GLN A 85 -9.322 -14.692 -5.000 1.00 62.15 H new ATOM 1443 N ASN A 86 -7.392 -9.808 -8.378 1.00 53.41 N ATOM 1444 CA ASN A 86 -7.568 -8.455 -7.850 1.00 45.01 C ATOM 1445 C ASN A 86 -6.759 -7.485 -8.711 1.00 23.05 C ATOM 1446 O ASN A 86 -5.694 -7.837 -9.226 1.00 4.44 O ATOM 1447 CB ASN A 86 -7.133 -8.361 -6.361 1.00 44.53 C ATOM 1448 CG ASN A 86 -8.008 -9.181 -5.407 1.00 3.20 C ATOM 1449 OD1 ASN A 86 -9.073 -9.690 -5.772 1.00 33.54 O ATOM 1450 ND2 ASN A 86 -7.596 -9.257 -4.157 1.00 73.41 N ATOM 0 H ASN A 86 -6.660 -10.336 -7.903 1.00 53.41 H new ATOM 0 HA ASN A 86 -8.625 -8.194 -7.889 1.00 45.01 H new ATOM 0 HB2 ASN A 86 -6.100 -8.698 -6.272 1.00 44.53 H new ATOM 0 HB3 ASN A 86 -7.155 -7.316 -6.051 1.00 44.53 H new ATOM 0 HD21 ASN A 86 -8.161 -9.746 -3.463 1.00 73.41 H new ATOM 0 HD22 ASN A 86 -6.712 -8.827 -3.884 1.00 73.41 H new ATOM 1457 N LYS A 87 -7.262 -6.266 -8.838 1.00 24.34 N ATOM 1458 CA LYS A 87 -6.778 -5.285 -9.814 1.00 62.42 C ATOM 1459 C LYS A 87 -6.953 -3.872 -9.257 1.00 53.54 C ATOM 1460 O LYS A 87 -7.689 -3.670 -8.279 1.00 14.30 O ATOM 1461 CB LYS A 87 -7.505 -5.437 -11.194 1.00 32.21 C ATOM 1462 CG LYS A 87 -9.049 -5.238 -11.166 1.00 22.24 C ATOM 1463 CD LYS A 87 -9.807 -6.426 -10.510 1.00 4.43 C ATOM 1464 CE LYS A 87 -11.296 -6.151 -10.305 1.00 51.21 C ATOM 1465 NZ LYS A 87 -11.987 -7.277 -9.628 1.00 14.13 N ATOM 0 H LYS A 87 -8.029 -5.920 -8.261 1.00 24.34 H new ATOM 0 HA LYS A 87 -5.718 -5.469 -9.988 1.00 62.42 H new ATOM 0 HB2 LYS A 87 -7.076 -4.717 -11.891 1.00 32.21 H new ATOM 0 HB3 LYS A 87 -7.292 -6.430 -11.589 1.00 32.21 H new ATOM 0 HG2 LYS A 87 -9.281 -4.322 -10.622 1.00 22.24 H new ATOM 0 HG3 LYS A 87 -9.410 -5.103 -12.186 1.00 22.24 H new ATOM 0 HD2 LYS A 87 -9.690 -7.312 -11.134 1.00 4.43 H new ATOM 0 HD3 LYS A 87 -9.350 -6.652 -9.547 1.00 4.43 H new ATOM 0 HE2 LYS A 87 -11.418 -5.244 -9.713 1.00 51.21 H new ATOM 0 HE3 LYS A 87 -11.766 -5.967 -11.271 1.00 51.21 H new ATOM 0 HZ1 LYS A 87 -12.958 -7.357 -9.991 1.00 14.13 H new ATOM 0 HZ2 LYS A 87 -11.474 -8.162 -9.815 1.00 14.13 H new ATOM 0 HZ3 LYS A 87 -12.013 -7.102 -8.603 1.00 14.13 H new ATOM 1479 N TYR A 88 -6.301 -2.900 -9.929 1.00 5.34 N ATOM 1480 CA TYR A 88 -6.116 -1.532 -9.419 1.00 45.03 C ATOM 1481 C TYR A 88 -5.401 -1.588 -8.048 1.00 52.34 C ATOM 1482 O TYR A 88 -6.027 -1.344 -7.005 1.00 25.21 O ATOM 1483 CB TYR A 88 -7.460 -0.752 -9.347 1.00 21.40 C ATOM 1484 CG TYR A 88 -8.164 -0.586 -10.698 1.00 34.34 C ATOM 1485 CD1 TYR A 88 -7.897 0.506 -11.525 1.00 12.03 C ATOM 1486 CD2 TYR A 88 -9.093 -1.526 -11.145 1.00 24.42 C ATOM 1487 CE1 TYR A 88 -8.536 0.650 -12.745 1.00 31.31 C ATOM 1488 CE2 TYR A 88 -9.730 -1.383 -12.361 1.00 11.35 C ATOM 1489 CZ TYR A 88 -9.448 -0.298 -13.155 1.00 23.30 C ATOM 1490 OH TYR A 88 -10.086 -0.167 -14.371 1.00 11.12 O ATOM 0 H TYR A 88 -5.886 -3.048 -10.849 1.00 5.34 H new ATOM 0 HA TYR A 88 -5.487 -0.979 -10.117 1.00 45.03 H new ATOM 0 HB2 TYR A 88 -8.131 -1.270 -8.662 1.00 21.40 H new ATOM 0 HB3 TYR A 88 -7.272 0.235 -8.924 1.00 21.40 H new ATOM 0 HD1 TYR A 88 -7.181 1.250 -11.209 1.00 12.03 H new ATOM 0 HD2 TYR A 88 -9.318 -2.383 -10.527 1.00 24.42 H new ATOM 0 HE1 TYR A 88 -8.320 1.502 -13.373 1.00 31.31 H new ATOM 0 HE2 TYR A 88 -10.448 -2.121 -12.687 1.00 11.35 H new ATOM 0 HH TYR A 88 -10.695 -0.923 -14.504 1.00 11.12 H new ATOM 1500 N PRO A 89 -4.092 -1.988 -8.025 1.00 34.14 N ATOM 1501 CA PRO A 89 -3.345 -2.134 -6.768 1.00 32.31 C ATOM 1502 C PRO A 89 -2.853 -0.783 -6.227 1.00 21.42 C ATOM 1503 O PRO A 89 -2.703 0.192 -6.976 1.00 52.51 O ATOM 1504 CB PRO A 89 -2.163 -3.048 -7.178 1.00 4.04 C ATOM 1505 CG PRO A 89 -1.905 -2.713 -8.619 1.00 14.02 C ATOM 1506 CD PRO A 89 -3.250 -2.327 -9.215 1.00 1.04 C ATOM 0 HA PRO A 89 -3.950 -2.544 -5.959 1.00 32.31 H new ATOM 0 HB2 PRO A 89 -1.283 -2.857 -6.563 1.00 4.04 H new ATOM 0 HB3 PRO A 89 -2.416 -4.101 -7.055 1.00 4.04 H new ATOM 0 HG2 PRO A 89 -1.192 -1.893 -8.706 1.00 14.02 H new ATOM 0 HG3 PRO A 89 -1.477 -3.566 -9.146 1.00 14.02 H new ATOM 0 HD2 PRO A 89 -3.157 -1.478 -9.893 1.00 1.04 H new ATOM 0 HD3 PRO A 89 -3.682 -3.147 -9.789 1.00 1.04 H new ATOM 1514 N PHE A 90 -2.632 -0.738 -4.915 1.00 15.13 N ATOM 1515 CA PHE A 90 -1.971 0.383 -4.245 1.00 0.30 C ATOM 1516 C PHE A 90 -0.642 -0.111 -3.671 1.00 53.25 C ATOM 1517 O PHE A 90 -0.323 -1.307 -3.746 1.00 73.41 O ATOM 1518 CB PHE A 90 -2.892 0.991 -3.153 1.00 21.25 C ATOM 1519 CG PHE A 90 -3.275 0.051 -1.999 1.00 62.04 C ATOM 1520 CD1 PHE A 90 -4.309 -0.883 -2.144 1.00 74.11 C ATOM 1521 CD2 PHE A 90 -2.611 0.110 -0.767 1.00 41.22 C ATOM 1522 CE1 PHE A 90 -4.660 -1.721 -1.101 1.00 51.43 C ATOM 1523 CE2 PHE A 90 -2.964 -0.729 0.271 1.00 14.42 C ATOM 1524 CZ PHE A 90 -3.985 -1.642 0.105 1.00 64.45 C ATOM 0 H PHE A 90 -2.909 -1.486 -4.279 1.00 15.13 H new ATOM 0 HA PHE A 90 -1.769 1.183 -4.957 1.00 0.30 H new ATOM 0 HB2 PHE A 90 -2.397 1.867 -2.734 1.00 21.25 H new ATOM 0 HB3 PHE A 90 -3.807 1.341 -3.630 1.00 21.25 H new ATOM 0 HD1 PHE A 90 -4.839 -0.950 -3.083 1.00 74.11 H new ATOM 0 HD2 PHE A 90 -1.811 0.822 -0.627 1.00 41.22 H new ATOM 0 HE1 PHE A 90 -5.460 -2.436 -1.227 1.00 51.43 H new ATOM 0 HE2 PHE A 90 -2.440 -0.671 1.214 1.00 14.42 H new ATOM 0 HZ PHE A 90 -4.259 -2.297 0.919 1.00 64.45 H new ATOM 1534 N GLN A 91 0.132 0.812 -3.104 1.00 43.20 N ATOM 1535 CA GLN A 91 1.475 0.523 -2.592 1.00 21.04 C ATOM 1536 C GLN A 91 1.729 1.276 -1.281 1.00 53.23 C ATOM 1537 O GLN A 91 1.202 2.373 -1.065 1.00 43.52 O ATOM 1538 CB GLN A 91 2.530 0.888 -3.669 1.00 62.51 C ATOM 1539 CG GLN A 91 2.434 2.338 -4.194 1.00 3.21 C ATOM 1540 CD GLN A 91 3.386 2.635 -5.348 1.00 62.32 C ATOM 1541 OE1 GLN A 91 4.491 2.093 -5.411 1.00 33.32 O ATOM 1542 NE2 GLN A 91 2.953 3.466 -6.291 1.00 43.33 N ATOM 0 H GLN A 91 -0.153 1.784 -2.985 1.00 43.20 H new ATOM 0 HA GLN A 91 1.556 -0.542 -2.375 1.00 21.04 H new ATOM 0 HB2 GLN A 91 3.525 0.731 -3.253 1.00 62.51 H new ATOM 0 HB3 GLN A 91 2.424 0.203 -4.510 1.00 62.51 H new ATOM 0 HG2 GLN A 91 1.412 2.531 -4.519 1.00 3.21 H new ATOM 0 HG3 GLN A 91 2.643 3.026 -3.375 1.00 3.21 H new ATOM 0 HE21 GLN A 91 2.033 3.897 -6.207 1.00 43.33 H new ATOM 0 HE22 GLN A 91 3.541 3.672 -7.098 1.00 43.33 H new ATOM 1551 N VAL A 92 2.556 0.663 -0.425 1.00 22.10 N ATOM 1552 CA VAL A 92 2.895 1.164 0.906 1.00 74.44 C ATOM 1553 C VAL A 92 4.419 1.329 0.965 1.00 20.42 C ATOM 1554 O VAL A 92 5.158 0.339 1.088 1.00 73.12 O ATOM 1555 CB VAL A 92 2.404 0.177 2.039 1.00 13.13 C ATOM 1556 CG1 VAL A 92 2.815 0.670 3.448 1.00 51.50 C ATOM 1557 CG2 VAL A 92 0.872 -0.042 1.957 1.00 30.34 C ATOM 0 H VAL A 92 3.018 -0.218 -0.648 1.00 22.10 H new ATOM 0 HA VAL A 92 2.395 2.117 1.078 1.00 74.44 H new ATOM 0 HB VAL A 92 2.897 -0.781 1.871 1.00 13.13 H new ATOM 0 HG11 VAL A 92 2.459 -0.036 4.199 1.00 51.50 H new ATOM 0 HG12 VAL A 92 3.901 0.744 3.505 1.00 51.50 H new ATOM 0 HG13 VAL A 92 2.375 1.650 3.633 1.00 51.50 H new ATOM 0 HG21 VAL A 92 0.559 -0.725 2.747 1.00 30.34 H new ATOM 0 HG22 VAL A 92 0.361 0.913 2.079 1.00 30.34 H new ATOM 0 HG23 VAL A 92 0.617 -0.468 0.987 1.00 30.34 H new ATOM 1567 N VAL A 93 4.888 2.574 0.826 1.00 64.44 N ATOM 1568 CA VAL A 93 6.314 2.897 0.869 1.00 54.12 C ATOM 1569 C VAL A 93 6.702 3.210 2.324 1.00 22.22 C ATOM 1570 O VAL A 93 6.423 4.298 2.841 1.00 32.02 O ATOM 1571 CB VAL A 93 6.687 4.118 -0.057 1.00 13.22 C ATOM 1572 CG1 VAL A 93 8.222 4.270 -0.164 1.00 22.34 C ATOM 1573 CG2 VAL A 93 6.036 4.007 -1.461 1.00 31.32 C ATOM 0 H VAL A 93 4.287 3.385 0.680 1.00 64.44 H new ATOM 0 HA VAL A 93 6.867 2.036 0.494 1.00 54.12 H new ATOM 0 HB VAL A 93 6.282 5.017 0.408 1.00 13.22 H new ATOM 0 HG11 VAL A 93 8.460 5.118 -0.807 1.00 22.34 H new ATOM 0 HG12 VAL A 93 8.641 4.438 0.828 1.00 22.34 H new ATOM 0 HG13 VAL A 93 8.649 3.361 -0.589 1.00 22.34 H new ATOM 0 HG21 VAL A 93 6.321 4.870 -2.063 1.00 31.32 H new ATOM 0 HG22 VAL A 93 6.378 3.094 -1.949 1.00 31.32 H new ATOM 0 HG23 VAL A 93 4.951 3.979 -1.358 1.00 31.32 H new ATOM 1583 N HIS A 94 7.315 2.225 2.983 1.00 62.12 N ATOM 1584 CA HIS A 94 7.794 2.340 4.378 1.00 54.01 C ATOM 1585 C HIS A 94 9.322 2.532 4.385 1.00 4.44 C ATOM 1586 O HIS A 94 9.906 2.809 3.326 1.00 0.32 O ATOM 1587 CB HIS A 94 7.311 1.120 5.227 1.00 73.35 C ATOM 1588 CG HIS A 94 7.462 -0.247 4.588 1.00 32.44 C ATOM 1589 ND1 HIS A 94 8.436 -1.156 4.940 1.00 22.01 N ATOM 1590 CD2 HIS A 94 6.710 -0.872 3.647 1.00 45.22 C ATOM 1591 CE1 HIS A 94 8.275 -2.265 4.245 1.00 2.42 C ATOM 1592 NE2 HIS A 94 7.233 -2.120 3.454 1.00 71.13 N ATOM 0 H HIS A 94 7.499 1.312 2.566 1.00 62.12 H new ATOM 0 HA HIS A 94 7.362 3.221 4.853 1.00 54.01 H new ATOM 0 HB2 HIS A 94 7.860 1.120 6.168 1.00 73.35 H new ATOM 0 HB3 HIS A 94 6.259 1.269 5.472 1.00 73.35 H new ATOM 0 HD1 HIS A 94 9.169 -0.996 5.631 1.00 22.01 H new ATOM 0 HD2 HIS A 94 5.851 -0.457 3.141 1.00 45.22 H new ATOM 0 HE1 HIS A 94 8.895 -3.146 4.313 1.00 2.42 H new ATOM 1601 N ASP A 95 9.951 2.478 5.584 1.00 34.14 N ATOM 1602 CA ASP A 95 11.422 2.671 5.750 1.00 51.12 C ATOM 1603 C ASP A 95 12.221 1.640 4.938 1.00 64.21 C ATOM 1604 O ASP A 95 13.254 1.973 4.348 1.00 32.10 O ATOM 1605 CB ASP A 95 11.838 2.615 7.250 1.00 23.21 C ATOM 1606 CG ASP A 95 11.381 3.837 8.064 1.00 43.14 C ATOM 1607 OD1 ASP A 95 10.194 4.185 8.002 1.00 25.02 O ATOM 1608 OD2 ASP A 95 12.206 4.445 8.785 1.00 34.15 O ATOM 0 H ASP A 95 9.461 2.301 6.461 1.00 34.14 H new ATOM 0 HA ASP A 95 11.657 3.664 5.366 1.00 51.12 H new ATOM 0 HB2 ASP A 95 11.422 1.714 7.700 1.00 23.21 H new ATOM 0 HB3 ASP A 95 12.923 2.532 7.314 1.00 23.21 H new ATOM 1613 N ALA A 96 11.733 0.392 4.937 1.00 44.30 N ATOM 1614 CA ALA A 96 12.248 -0.683 4.065 1.00 52.23 C ATOM 1615 C ALA A 96 11.670 -0.529 2.630 1.00 61.11 C ATOM 1616 O ALA A 96 11.194 0.551 2.261 1.00 22.11 O ATOM 1617 CB ALA A 96 11.910 -2.052 4.698 1.00 74.40 C ATOM 0 H ALA A 96 10.967 0.094 5.542 1.00 44.30 H new ATOM 0 HA ALA A 96 13.332 -0.615 3.976 1.00 52.23 H new ATOM 0 HB1 ALA A 96 12.287 -2.851 4.060 1.00 74.40 H new ATOM 0 HB2 ALA A 96 12.375 -2.123 5.681 1.00 74.40 H new ATOM 0 HB3 ALA A 96 10.829 -2.149 4.800 1.00 74.40 H new ATOM 1623 N ASN A 97 11.730 -1.603 1.822 1.00 63.24 N ATOM 1624 CA ASN A 97 11.258 -1.591 0.417 1.00 13.13 C ATOM 1625 C ASN A 97 9.727 -1.369 0.319 1.00 63.12 C ATOM 1626 O ASN A 97 8.991 -1.596 1.289 1.00 41.44 O ATOM 1627 CB ASN A 97 11.652 -2.918 -0.293 1.00 63.21 C ATOM 1628 CG ASN A 97 10.972 -4.168 0.292 1.00 33.12 C ATOM 1629 OD1 ASN A 97 10.672 -4.240 1.486 1.00 0.24 O ATOM 1630 ND2 ASN A 97 10.722 -5.163 -0.544 1.00 1.12 N ATOM 0 H ASN A 97 12.105 -2.504 2.119 1.00 63.24 H new ATOM 0 HA ASN A 97 11.744 -0.753 -0.083 1.00 13.13 H new ATOM 0 HB2 ASN A 97 11.399 -2.841 -1.350 1.00 63.21 H new ATOM 0 HB3 ASN A 97 12.733 -3.043 -0.232 1.00 63.21 H new ATOM 0 HD21 ASN A 97 10.272 -6.013 -0.205 1.00 1.12 H new ATOM 0 HD22 ASN A 97 10.980 -5.080 -1.527 1.00 1.12 H new ATOM 1637 N THR A 98 9.270 -0.924 -0.861 1.00 41.22 N ATOM 1638 CA THR A 98 7.848 -0.658 -1.127 1.00 12.21 C ATOM 1639 C THR A 98 7.048 -1.979 -1.247 1.00 52.13 C ATOM 1640 O THR A 98 7.423 -2.876 -2.013 1.00 21.22 O ATOM 1641 CB THR A 98 7.684 0.190 -2.435 1.00 51.13 C ATOM 1642 OG1 THR A 98 8.466 1.397 -2.326 1.00 0.43 O ATOM 1643 CG2 THR A 98 6.209 0.554 -2.706 1.00 25.52 C ATOM 0 H THR A 98 9.877 -0.738 -1.659 1.00 41.22 H new ATOM 0 HA THR A 98 7.450 -0.091 -0.285 1.00 12.21 H new ATOM 0 HB THR A 98 8.036 -0.415 -3.271 1.00 51.13 H new ATOM 0 HG1 THR A 98 8.365 1.927 -3.144 1.00 0.43 H new ATOM 0 HG21 THR A 98 6.142 1.141 -3.622 1.00 25.52 H new ATOM 0 HG22 THR A 98 5.623 -0.359 -2.816 1.00 25.52 H new ATOM 0 HG23 THR A 98 5.819 1.137 -1.872 1.00 25.52 H new ATOM 1651 N LEU A 99 5.964 -2.092 -0.459 1.00 24.12 N ATOM 1652 CA LEU A 99 5.039 -3.243 -0.503 1.00 3.30 C ATOM 1653 C LEU A 99 3.942 -2.972 -1.548 1.00 62.21 C ATOM 1654 O LEU A 99 3.464 -1.845 -1.658 1.00 5.33 O ATOM 1655 CB LEU A 99 4.417 -3.489 0.903 1.00 12.52 C ATOM 1656 CG LEU A 99 3.550 -4.786 1.044 1.00 4.32 C ATOM 1657 CD1 LEU A 99 4.375 -6.049 0.716 1.00 51.24 C ATOM 1658 CD2 LEU A 99 2.911 -4.885 2.444 1.00 60.22 C ATOM 0 H LEU A 99 5.702 -1.386 0.229 1.00 24.12 H new ATOM 0 HA LEU A 99 5.587 -4.141 -0.789 1.00 3.30 H new ATOM 0 HB2 LEU A 99 5.224 -3.532 1.635 1.00 12.52 H new ATOM 0 HB3 LEU A 99 3.798 -2.630 1.162 1.00 12.52 H new ATOM 0 HG LEU A 99 2.741 -4.721 0.317 1.00 4.32 H new ATOM 0 HD11 LEU A 99 3.746 -6.933 0.823 1.00 51.24 H new ATOM 0 HD12 LEU A 99 4.743 -5.987 -0.308 1.00 51.24 H new ATOM 0 HD13 LEU A 99 5.220 -6.120 1.401 1.00 51.24 H new ATOM 0 HD21 LEU A 99 2.316 -5.796 2.509 1.00 60.22 H new ATOM 0 HD22 LEU A 99 3.695 -4.909 3.201 1.00 60.22 H new ATOM 0 HD23 LEU A 99 2.270 -4.020 2.613 1.00 60.22 H new ATOM 1670 N TYR A 100 3.556 -4.005 -2.318 1.00 52.02 N ATOM 1671 CA TYR A 100 2.540 -3.889 -3.390 1.00 60.44 C ATOM 1672 C TYR A 100 1.355 -4.801 -3.078 1.00 63.42 C ATOM 1673 O TYR A 100 1.511 -6.022 -2.971 1.00 22.45 O ATOM 1674 CB TYR A 100 3.165 -4.226 -4.769 1.00 64.12 C ATOM 1675 CG TYR A 100 4.170 -3.158 -5.218 1.00 61.54 C ATOM 1676 CD1 TYR A 100 3.736 -2.015 -5.890 1.00 43.42 C ATOM 1677 CD2 TYR A 100 5.534 -3.266 -4.928 1.00 45.11 C ATOM 1678 CE1 TYR A 100 4.619 -1.023 -6.256 1.00 30.13 C ATOM 1679 CE2 TYR A 100 6.421 -2.275 -5.300 1.00 14.31 C ATOM 1680 CZ TYR A 100 5.957 -1.156 -5.961 1.00 31.12 C ATOM 1681 OH TYR A 100 6.843 -0.160 -6.318 1.00 61.22 O ATOM 0 H TYR A 100 3.937 -4.946 -2.218 1.00 52.02 H new ATOM 0 HA TYR A 100 2.180 -2.861 -3.435 1.00 60.44 H new ATOM 0 HB2 TYR A 100 3.664 -5.194 -4.715 1.00 64.12 H new ATOM 0 HB3 TYR A 100 2.374 -4.316 -5.514 1.00 64.12 H new ATOM 0 HD1 TYR A 100 2.688 -1.906 -6.128 1.00 43.42 H new ATOM 0 HD2 TYR A 100 5.899 -4.138 -4.405 1.00 45.11 H new ATOM 0 HE1 TYR A 100 4.263 -0.144 -6.773 1.00 30.13 H new ATOM 0 HE2 TYR A 100 7.472 -2.375 -5.075 1.00 14.31 H new ATOM 0 HH TYR A 100 6.549 0.254 -7.156 1.00 61.22 H new ATOM 1691 N ILE A 101 0.172 -4.182 -2.921 1.00 31.53 N ATOM 1692 CA ILE A 101 -1.045 -4.841 -2.436 1.00 74.01 C ATOM 1693 C ILE A 101 -2.200 -4.632 -3.449 1.00 41.12 C ATOM 1694 O ILE A 101 -2.613 -3.492 -3.704 1.00 3.23 O ATOM 1695 CB ILE A 101 -1.467 -4.264 -1.028 1.00 72.51 C ATOM 1696 CG1 ILE A 101 -0.258 -4.216 -0.033 1.00 35.33 C ATOM 1697 CG2 ILE A 101 -2.622 -5.092 -0.436 1.00 3.40 C ATOM 1698 CD1 ILE A 101 -0.551 -3.527 1.294 1.00 13.01 C ATOM 0 H ILE A 101 0.036 -3.193 -3.132 1.00 31.53 H new ATOM 0 HA ILE A 101 -0.840 -5.907 -2.332 1.00 74.01 H new ATOM 0 HB ILE A 101 -1.806 -3.239 -1.178 1.00 72.51 H new ATOM 0 HG12 ILE A 101 0.070 -5.236 0.168 1.00 35.33 H new ATOM 0 HG13 ILE A 101 0.573 -3.703 -0.517 1.00 35.33 H new ATOM 0 HG21 ILE A 101 -2.903 -4.683 0.535 1.00 3.40 H new ATOM 0 HG22 ILE A 101 -3.479 -5.053 -1.108 1.00 3.40 H new ATOM 0 HG23 ILE A 101 -2.303 -6.127 -0.315 1.00 3.40 H new ATOM 0 HD11 ILE A 101 0.343 -3.542 1.917 1.00 13.01 H new ATOM 0 HD12 ILE A 101 -0.848 -2.494 1.110 1.00 13.01 H new ATOM 0 HD13 ILE A 101 -1.358 -4.051 1.806 1.00 13.01 H new ATOM 1710 N PHE A 102 -2.701 -5.741 -4.015 1.00 43.31 N ATOM 1711 CA PHE A 102 -3.805 -5.754 -4.991 1.00 1.03 C ATOM 1712 C PHE A 102 -5.163 -5.742 -4.264 1.00 34.44 C ATOM 1713 O PHE A 102 -5.468 -6.645 -3.469 1.00 21.30 O ATOM 1714 CB PHE A 102 -3.687 -7.004 -5.907 1.00 2.32 C ATOM 1715 CG PHE A 102 -2.417 -7.029 -6.769 1.00 43.23 C ATOM 1716 CD1 PHE A 102 -1.172 -7.353 -6.213 1.00 64.01 C ATOM 1717 CD2 PHE A 102 -2.463 -6.711 -8.130 1.00 3.01 C ATOM 1718 CE1 PHE A 102 -0.027 -7.361 -6.991 1.00 52.53 C ATOM 1719 CE2 PHE A 102 -1.312 -6.720 -8.905 1.00 2.50 C ATOM 1720 CZ PHE A 102 -0.097 -7.044 -8.334 1.00 33.13 C ATOM 0 H PHE A 102 -2.344 -6.673 -3.804 1.00 43.31 H new ATOM 0 HA PHE A 102 -3.741 -4.859 -5.610 1.00 1.03 H new ATOM 0 HB2 PHE A 102 -3.710 -7.900 -5.287 1.00 2.32 H new ATOM 0 HB3 PHE A 102 -4.558 -7.046 -6.561 1.00 2.32 H new ATOM 0 HD1 PHE A 102 -1.105 -7.600 -5.164 1.00 64.01 H new ATOM 0 HD2 PHE A 102 -3.408 -6.455 -8.585 1.00 3.01 H new ATOM 0 HE1 PHE A 102 0.924 -7.616 -6.547 1.00 52.53 H new ATOM 0 HE2 PHE A 102 -1.366 -6.474 -9.955 1.00 2.50 H new ATOM 0 HZ PHE A 102 0.799 -7.050 -8.937 1.00 33.13 H new ATOM 1730 N ALA A 103 -5.963 -4.704 -4.549 1.00 44.14 N ATOM 1731 CA ALA A 103 -7.302 -4.519 -3.969 1.00 32.42 C ATOM 1732 C ALA A 103 -8.369 -5.251 -4.824 1.00 73.34 C ATOM 1733 O ALA A 103 -8.243 -5.277 -6.053 1.00 61.34 O ATOM 1734 CB ALA A 103 -7.611 -3.020 -3.871 1.00 71.33 C ATOM 0 H ALA A 103 -5.696 -3.961 -5.195 1.00 44.14 H new ATOM 0 HA ALA A 103 -7.326 -4.950 -2.968 1.00 32.42 H new ATOM 0 HB1 ALA A 103 -8.603 -2.880 -3.441 1.00 71.33 H new ATOM 0 HB2 ALA A 103 -6.869 -2.536 -3.236 1.00 71.33 H new ATOM 0 HB3 ALA A 103 -7.581 -2.576 -4.866 1.00 71.33 H new ATOM 1740 N PRO A 104 -9.436 -5.869 -4.191 1.00 11.01 N ATOM 1741 CA PRO A 104 -10.503 -6.614 -4.925 1.00 43.13 C ATOM 1742 C PRO A 104 -11.261 -5.751 -5.956 1.00 54.01 C ATOM 1743 O PRO A 104 -11.784 -6.273 -6.949 1.00 23.13 O ATOM 1744 CB PRO A 104 -11.450 -7.112 -3.795 1.00 0.30 C ATOM 1745 CG PRO A 104 -10.600 -7.092 -2.558 1.00 1.54 C ATOM 1746 CD PRO A 104 -9.672 -5.913 -2.724 1.00 75.22 C ATOM 0 HA PRO A 104 -10.082 -7.420 -5.525 1.00 43.13 H new ATOM 0 HB2 PRO A 104 -12.319 -6.463 -3.690 1.00 0.30 H new ATOM 0 HB3 PRO A 104 -11.824 -8.114 -4.003 1.00 0.30 H new ATOM 0 HG2 PRO A 104 -11.213 -6.986 -1.663 1.00 1.54 H new ATOM 0 HG3 PRO A 104 -10.039 -8.021 -2.452 1.00 1.54 H new ATOM 0 HD2 PRO A 104 -10.125 -4.990 -2.361 1.00 75.22 H new ATOM 0 HD3 PRO A 104 -8.743 -6.051 -2.171 1.00 75.22 H new ATOM 1754 N SER A 105 -11.305 -4.438 -5.710 1.00 20.21 N ATOM 1755 CA SER A 105 -11.971 -3.471 -6.593 1.00 54.43 C ATOM 1756 C SER A 105 -11.194 -2.134 -6.584 1.00 72.12 C ATOM 1757 O SER A 105 -10.400 -1.887 -5.662 1.00 5.42 O ATOM 1758 CB SER A 105 -13.431 -3.245 -6.120 1.00 51.24 C ATOM 1759 OG SER A 105 -13.479 -2.713 -4.807 1.00 31.02 O ATOM 0 H SER A 105 -10.877 -4.012 -4.888 1.00 20.21 H new ATOM 0 HA SER A 105 -11.987 -3.864 -7.610 1.00 54.43 H new ATOM 0 HB2 SER A 105 -13.935 -2.565 -6.807 1.00 51.24 H new ATOM 0 HB3 SER A 105 -13.974 -4.190 -6.150 1.00 51.24 H new ATOM 0 HG SER A 105 -14.403 -2.730 -4.481 1.00 31.02 H new ATOM 1765 N PRO A 106 -11.406 -1.243 -7.618 1.00 44.20 N ATOM 1766 CA PRO A 106 -10.903 0.168 -7.593 1.00 0.20 C ATOM 1767 C PRO A 106 -11.513 1.009 -6.436 1.00 14.23 C ATOM 1768 O PRO A 106 -11.010 2.092 -6.114 1.00 20.14 O ATOM 1769 CB PRO A 106 -11.328 0.728 -8.985 1.00 32.14 C ATOM 1770 CG PRO A 106 -12.443 -0.171 -9.434 1.00 52.15 C ATOM 1771 CD PRO A 106 -12.090 -1.547 -8.911 1.00 34.44 C ATOM 0 HA PRO A 106 -9.828 0.213 -7.416 1.00 0.20 H new ATOM 0 HB2 PRO A 106 -11.660 1.764 -8.910 1.00 32.14 H new ATOM 0 HB3 PRO A 106 -10.497 0.710 -9.690 1.00 32.14 H new ATOM 0 HG2 PRO A 106 -13.401 0.165 -9.038 1.00 52.15 H new ATOM 0 HG3 PRO A 106 -12.530 -0.175 -10.520 1.00 52.15 H new ATOM 0 HD2 PRO A 106 -12.977 -2.164 -8.765 1.00 34.44 H new ATOM 0 HD3 PRO A 106 -11.437 -2.086 -9.598 1.00 34.44 H new ATOM 1779 N GLN A 107 -12.557 0.454 -5.795 1.00 14.20 N ATOM 1780 CA GLN A 107 -13.294 1.099 -4.696 1.00 34.05 C ATOM 1781 C GLN A 107 -12.546 0.827 -3.383 1.00 12.24 C ATOM 1782 O GLN A 107 -12.349 1.732 -2.560 1.00 4.23 O ATOM 1783 CB GLN A 107 -14.733 0.528 -4.632 1.00 2.11 C ATOM 1784 CG GLN A 107 -15.497 0.579 -5.968 1.00 32.00 C ATOM 1785 CD GLN A 107 -16.852 -0.121 -5.897 1.00 22.25 C ATOM 1786 OE1 GLN A 107 -17.877 0.494 -5.605 1.00 23.42 O ATOM 1787 NE2 GLN A 107 -16.860 -1.430 -6.122 1.00 61.14 N ATOM 0 H GLN A 107 -12.917 -0.471 -6.031 1.00 14.20 H new ATOM 0 HA GLN A 107 -13.359 2.175 -4.860 1.00 34.05 H new ATOM 0 HB2 GLN A 107 -14.685 -0.507 -4.294 1.00 2.11 H new ATOM 0 HB3 GLN A 107 -15.298 1.083 -3.883 1.00 2.11 H new ATOM 0 HG2 GLN A 107 -15.644 1.619 -6.258 1.00 32.00 H new ATOM 0 HG3 GLN A 107 -14.892 0.113 -6.746 1.00 32.00 H new ATOM 0 HE21 GLN A 107 -15.993 -1.911 -6.362 1.00 61.14 H new ATOM 0 HE22 GLN A 107 -17.733 -1.954 -6.055 1.00 61.14 H new ATOM 1796 N SER A 108 -12.118 -0.451 -3.224 1.00 60.45 N ATOM 1797 CA SER A 108 -11.286 -0.897 -2.098 1.00 72.10 C ATOM 1798 C SER A 108 -9.942 -0.159 -2.126 1.00 31.13 C ATOM 1799 O SER A 108 -9.483 0.336 -1.100 1.00 3.11 O ATOM 1800 CB SER A 108 -11.061 -2.421 -2.182 1.00 71.45 C ATOM 1801 OG SER A 108 -12.283 -3.129 -2.164 1.00 55.42 O ATOM 0 H SER A 108 -12.346 -1.197 -3.881 1.00 60.45 H new ATOM 0 HA SER A 108 -11.795 -0.670 -1.161 1.00 72.10 H new ATOM 0 HB2 SER A 108 -10.515 -2.659 -3.095 1.00 71.45 H new ATOM 0 HB3 SER A 108 -10.440 -2.744 -1.346 1.00 71.45 H new ATOM 0 HG SER A 108 -12.741 -3.012 -3.022 1.00 55.42 H new ATOM 1807 N ARG A 109 -9.334 -0.109 -3.332 1.00 2.55 N ATOM 1808 CA ARG A 109 -8.118 0.677 -3.623 1.00 12.41 C ATOM 1809 C ARG A 109 -8.207 2.101 -3.056 1.00 44.41 C ATOM 1810 O ARG A 109 -7.372 2.497 -2.244 1.00 12.04 O ATOM 1811 CB ARG A 109 -7.929 0.744 -5.159 1.00 43.24 C ATOM 1812 CG ARG A 109 -6.784 1.665 -5.646 1.00 53.02 C ATOM 1813 CD ARG A 109 -6.949 2.076 -7.117 1.00 53.33 C ATOM 1814 NE ARG A 109 -8.216 2.805 -7.350 1.00 53.21 N ATOM 1815 CZ ARG A 109 -8.609 3.329 -8.526 1.00 22.24 C ATOM 1816 NH1 ARG A 109 -7.844 3.236 -9.617 1.00 10.31 N ATOM 1817 NH2 ARG A 109 -9.786 3.938 -8.595 1.00 41.32 N ATOM 0 H ARG A 109 -9.681 -0.622 -4.142 1.00 2.55 H new ATOM 0 HA ARG A 109 -7.269 0.186 -3.147 1.00 12.41 H new ATOM 0 HB2 ARG A 109 -7.745 -0.264 -5.530 1.00 43.24 H new ATOM 0 HB3 ARG A 109 -8.862 1.083 -5.609 1.00 43.24 H new ATOM 0 HG2 ARG A 109 -6.751 2.559 -5.023 1.00 53.02 H new ATOM 0 HG3 ARG A 109 -5.830 1.153 -5.519 1.00 53.02 H new ATOM 0 HD2 ARG A 109 -6.109 2.704 -7.414 1.00 53.33 H new ATOM 0 HD3 ARG A 109 -6.921 1.187 -7.747 1.00 53.33 H new ATOM 0 HE ARG A 109 -8.843 2.920 -6.554 1.00 53.21 H new ATOM 0 HH11 ARG A 109 -6.943 2.761 -9.569 1.00 10.31 H new ATOM 0 HH12 ARG A 109 -8.161 3.640 -10.498 1.00 10.31 H new ATOM 0 HH21 ARG A 109 -10.376 4.003 -7.765 1.00 41.32 H new ATOM 0 HH22 ARG A 109 -10.101 4.341 -9.478 1.00 41.32 H new ATOM 1831 N ASP A 110 -9.249 2.840 -3.488 1.00 42.32 N ATOM 1832 CA ASP A 110 -9.457 4.251 -3.127 1.00 10.45 C ATOM 1833 C ASP A 110 -9.578 4.424 -1.606 1.00 21.22 C ATOM 1834 O ASP A 110 -9.017 5.362 -1.046 1.00 62.42 O ATOM 1835 CB ASP A 110 -10.728 4.798 -3.831 1.00 34.21 C ATOM 1836 CG ASP A 110 -11.062 6.251 -3.430 1.00 14.15 C ATOM 1837 OD1 ASP A 110 -10.347 7.176 -3.869 1.00 2.55 O ATOM 1838 OD2 ASP A 110 -12.014 6.472 -2.651 1.00 15.31 O ATOM 0 H ASP A 110 -9.974 2.468 -4.102 1.00 42.32 H new ATOM 0 HA ASP A 110 -8.589 4.818 -3.462 1.00 10.45 H new ATOM 0 HB2 ASP A 110 -10.588 4.748 -4.911 1.00 34.21 H new ATOM 0 HB3 ASP A 110 -11.575 4.156 -3.589 1.00 34.21 H new ATOM 1843 N LEU A 111 -10.314 3.500 -0.971 1.00 31.33 N ATOM 1844 CA LEU A 111 -10.621 3.547 0.468 1.00 14.34 C ATOM 1845 C LEU A 111 -9.361 3.282 1.320 1.00 50.42 C ATOM 1846 O LEU A 111 -9.144 3.956 2.327 1.00 74.01 O ATOM 1847 CB LEU A 111 -11.737 2.519 0.786 1.00 73.54 C ATOM 1848 CG LEU A 111 -12.317 2.543 2.236 1.00 34.44 C ATOM 1849 CD1 LEU A 111 -12.908 3.925 2.596 1.00 25.03 C ATOM 1850 CD2 LEU A 111 -13.359 1.421 2.419 1.00 23.43 C ATOM 0 H LEU A 111 -10.717 2.692 -1.445 1.00 31.33 H new ATOM 0 HA LEU A 111 -10.973 4.547 0.722 1.00 14.34 H new ATOM 0 HB2 LEU A 111 -12.558 2.681 0.088 1.00 73.54 H new ATOM 0 HB3 LEU A 111 -11.346 1.520 0.592 1.00 73.54 H new ATOM 0 HG LEU A 111 -11.494 2.362 2.927 1.00 34.44 H new ATOM 0 HD11 LEU A 111 -13.301 3.899 3.612 1.00 25.03 H new ATOM 0 HD12 LEU A 111 -12.128 4.683 2.528 1.00 25.03 H new ATOM 0 HD13 LEU A 111 -13.713 4.169 1.902 1.00 25.03 H new ATOM 0 HD21 LEU A 111 -13.753 1.452 3.435 1.00 23.43 H new ATOM 0 HD22 LEU A 111 -14.174 1.562 1.709 1.00 23.43 H new ATOM 0 HD23 LEU A 111 -12.888 0.454 2.242 1.00 23.43 H new ATOM 1862 N TRP A 112 -8.559 2.278 0.915 1.00 53.41 N ATOM 1863 CA TRP A 112 -7.278 1.947 1.573 1.00 72.42 C ATOM 1864 C TRP A 112 -6.251 3.082 1.439 1.00 60.42 C ATOM 1865 O TRP A 112 -5.632 3.466 2.436 1.00 11.22 O ATOM 1866 CB TRP A 112 -6.706 0.605 1.037 1.00 43.43 C ATOM 1867 CG TRP A 112 -7.303 -0.600 1.721 1.00 73.42 C ATOM 1868 CD1 TRP A 112 -8.347 -1.376 1.300 1.00 74.12 C ATOM 1869 CD2 TRP A 112 -6.883 -1.143 2.985 1.00 2.13 C ATOM 1870 NE1 TRP A 112 -8.602 -2.354 2.222 1.00 13.14 N ATOM 1871 CE2 TRP A 112 -7.712 -2.239 3.262 1.00 62.22 C ATOM 1872 CE3 TRP A 112 -5.880 -0.805 3.905 1.00 51.14 C ATOM 1873 CZ2 TRP A 112 -7.574 -3.001 4.418 1.00 12.10 C ATOM 1874 CZ3 TRP A 112 -5.745 -1.562 5.051 1.00 23.53 C ATOM 1875 CH2 TRP A 112 -6.586 -2.651 5.300 1.00 34.24 C ATOM 0 H TRP A 112 -8.780 1.674 0.123 1.00 53.41 H new ATOM 0 HA TRP A 112 -7.484 1.827 2.637 1.00 72.42 H new ATOM 0 HB2 TRP A 112 -6.893 0.538 -0.035 1.00 43.43 H new ATOM 0 HB3 TRP A 112 -5.625 0.596 1.174 1.00 43.43 H new ATOM 0 HD1 TRP A 112 -8.890 -1.237 0.377 1.00 74.12 H new ATOM 0 HE1 TRP A 112 -9.337 -3.057 2.149 1.00 13.14 H new ATOM 0 HE3 TRP A 112 -5.225 0.033 3.720 1.00 51.14 H new ATOM 0 HZ2 TRP A 112 -8.224 -3.841 4.613 1.00 12.10 H new ATOM 0 HZ3 TRP A 112 -4.977 -1.309 5.767 1.00 23.53 H new ATOM 0 HH2 TRP A 112 -6.454 -3.227 6.204 1.00 34.24 H new ATOM 1886 N VAL A 113 -6.080 3.611 0.208 1.00 20.32 N ATOM 1887 CA VAL A 113 -5.194 4.763 -0.053 1.00 24.43 C ATOM 1888 C VAL A 113 -5.623 5.954 0.818 1.00 5.53 C ATOM 1889 O VAL A 113 -4.778 6.616 1.415 1.00 54.44 O ATOM 1890 CB VAL A 113 -5.185 5.170 -1.579 1.00 31.43 C ATOM 1891 CG1 VAL A 113 -4.400 6.485 -1.831 1.00 14.05 C ATOM 1892 CG2 VAL A 113 -4.602 4.031 -2.442 1.00 65.23 C ATOM 0 H VAL A 113 -6.548 3.254 -0.625 1.00 20.32 H new ATOM 0 HA VAL A 113 -4.177 4.469 0.206 1.00 24.43 H new ATOM 0 HB VAL A 113 -6.221 5.345 -1.868 1.00 31.43 H new ATOM 0 HG11 VAL A 113 -4.422 6.724 -2.894 1.00 14.05 H new ATOM 0 HG12 VAL A 113 -4.860 7.297 -1.267 1.00 14.05 H new ATOM 0 HG13 VAL A 113 -3.366 6.359 -1.509 1.00 14.05 H new ATOM 0 HG21 VAL A 113 -4.604 4.331 -3.490 1.00 65.23 H new ATOM 0 HG22 VAL A 113 -3.580 3.822 -2.127 1.00 65.23 H new ATOM 0 HG23 VAL A 113 -5.210 3.134 -2.320 1.00 65.23 H new ATOM 1902 N LYS A 114 -6.955 6.158 0.899 1.00 72.23 N ATOM 1903 CA LYS A 114 -7.584 7.235 1.674 1.00 34.13 C ATOM 1904 C LYS A 114 -7.168 7.153 3.147 1.00 51.31 C ATOM 1905 O LYS A 114 -6.477 8.036 3.631 1.00 64.21 O ATOM 1906 CB LYS A 114 -9.126 7.138 1.533 1.00 14.34 C ATOM 1907 CG LYS A 114 -9.921 8.370 2.021 1.00 12.12 C ATOM 1908 CD LYS A 114 -11.457 8.141 1.983 1.00 31.21 C ATOM 1909 CE LYS A 114 -11.975 7.616 0.622 1.00 73.35 C ATOM 1910 NZ LYS A 114 -11.630 8.509 -0.521 1.00 31.33 N ATOM 0 H LYS A 114 -7.631 5.565 0.417 1.00 72.23 H new ATOM 0 HA LYS A 114 -7.251 8.198 1.286 1.00 34.13 H new ATOM 0 HB2 LYS A 114 -9.367 6.965 0.484 1.00 14.34 H new ATOM 0 HB3 LYS A 114 -9.469 6.264 2.087 1.00 14.34 H new ATOM 0 HG2 LYS A 114 -9.618 8.613 3.040 1.00 12.12 H new ATOM 0 HG3 LYS A 114 -9.670 9.230 1.400 1.00 12.12 H new ATOM 0 HD2 LYS A 114 -11.729 7.430 2.764 1.00 31.21 H new ATOM 0 HD3 LYS A 114 -11.961 9.079 2.216 1.00 31.21 H new ATOM 0 HE2 LYS A 114 -11.558 6.625 0.440 1.00 73.35 H new ATOM 0 HE3 LYS A 114 -13.058 7.502 0.672 1.00 73.35 H new ATOM 0 HZ1 LYS A 114 -11.803 8.009 -1.417 1.00 31.33 H new ATOM 0 HZ2 LYS A 114 -12.219 9.365 -0.483 1.00 31.33 H new ATOM 0 HZ3 LYS A 114 -10.627 8.776 -0.462 1.00 31.33 H new ATOM 1924 N LYS A 115 -7.547 6.039 3.813 1.00 23.31 N ATOM 1925 CA LYS A 115 -7.310 5.836 5.254 1.00 42.13 C ATOM 1926 C LYS A 115 -5.826 5.995 5.609 1.00 24.34 C ATOM 1927 O LYS A 115 -5.484 6.749 6.513 1.00 32.43 O ATOM 1928 CB LYS A 115 -7.821 4.441 5.706 1.00 2.03 C ATOM 1929 CG LYS A 115 -9.350 4.240 5.593 1.00 73.13 C ATOM 1930 CD LYS A 115 -10.151 5.355 6.311 1.00 74.25 C ATOM 1931 CE LYS A 115 -11.650 5.049 6.418 1.00 54.21 C ATOM 1932 NZ LYS A 115 -11.925 3.883 7.301 1.00 24.42 N ATOM 0 H LYS A 115 -8.025 5.258 3.364 1.00 23.31 H new ATOM 0 HA LYS A 115 -7.869 6.605 5.787 1.00 42.13 H new ATOM 0 HB2 LYS A 115 -7.324 3.677 5.109 1.00 2.03 H new ATOM 0 HB3 LYS A 115 -7.523 4.279 6.742 1.00 2.03 H new ATOM 0 HG2 LYS A 115 -9.633 4.215 4.541 1.00 73.13 H new ATOM 0 HG3 LYS A 115 -9.618 3.273 6.019 1.00 73.13 H new ATOM 0 HD2 LYS A 115 -9.744 5.499 7.312 1.00 74.25 H new ATOM 0 HD3 LYS A 115 -10.016 6.294 5.774 1.00 74.25 H new ATOM 0 HE2 LYS A 115 -12.171 5.925 6.804 1.00 54.21 H new ATOM 0 HE3 LYS A 115 -12.051 4.852 5.424 1.00 54.21 H new ATOM 0 HZ1 LYS A 115 -12.738 4.096 7.914 1.00 24.42 H new ATOM 0 HZ2 LYS A 115 -12.140 3.049 6.718 1.00 24.42 H new ATOM 0 HZ3 LYS A 115 -11.090 3.688 7.889 1.00 24.42 H new ATOM 1946 N LEU A 116 -4.972 5.303 4.838 1.00 23.12 N ATOM 1947 CA LEU A 116 -3.520 5.284 5.048 1.00 72.20 C ATOM 1948 C LEU A 116 -2.914 6.702 4.940 1.00 22.22 C ATOM 1949 O LEU A 116 -2.293 7.162 5.898 1.00 70.30 O ATOM 1950 CB LEU A 116 -2.863 4.265 4.068 1.00 12.10 C ATOM 1951 CG LEU A 116 -3.055 2.750 4.443 1.00 15.12 C ATOM 1952 CD1 LEU A 116 -2.745 1.802 3.259 1.00 54.43 C ATOM 1953 CD2 LEU A 116 -2.192 2.384 5.670 1.00 42.10 C ATOM 0 H LEU A 116 -5.275 4.737 4.045 1.00 23.12 H new ATOM 0 HA LEU A 116 -3.307 4.950 6.064 1.00 72.20 H new ATOM 0 HB2 LEU A 116 -3.272 4.430 3.071 1.00 12.10 H new ATOM 0 HB3 LEU A 116 -1.795 4.476 4.013 1.00 12.10 H new ATOM 0 HG LEU A 116 -4.107 2.614 4.692 1.00 15.12 H new ATOM 0 HD11 LEU A 116 -2.893 0.768 3.572 1.00 54.43 H new ATOM 0 HD12 LEU A 116 -3.412 2.029 2.427 1.00 54.43 H new ATOM 0 HD13 LEU A 116 -1.711 1.941 2.943 1.00 54.43 H new ATOM 0 HD21 LEU A 116 -2.337 1.332 5.916 1.00 42.10 H new ATOM 0 HD22 LEU A 116 -1.141 2.562 5.442 1.00 42.10 H new ATOM 0 HD23 LEU A 116 -2.488 2.999 6.520 1.00 42.10 H new ATOM 1965 N LYS A 117 -3.126 7.397 3.792 1.00 11.01 N ATOM 1966 CA LYS A 117 -2.576 8.761 3.577 1.00 20.15 C ATOM 1967 C LYS A 117 -3.068 9.775 4.639 1.00 44.44 C ATOM 1968 O LYS A 117 -2.311 10.670 5.029 1.00 34.12 O ATOM 1969 CB LYS A 117 -2.870 9.279 2.143 1.00 45.24 C ATOM 1970 CG LYS A 117 -4.342 9.656 1.854 1.00 25.03 C ATOM 1971 CD LYS A 117 -4.570 10.073 0.381 1.00 0.31 C ATOM 1972 CE LYS A 117 -6.043 10.367 0.064 1.00 54.12 C ATOM 1973 NZ LYS A 117 -6.231 10.828 -1.337 1.00 71.51 N ATOM 0 H LYS A 117 -3.670 7.038 3.007 1.00 11.01 H new ATOM 0 HA LYS A 117 -1.496 8.674 3.692 1.00 20.15 H new ATOM 0 HB2 LYS A 117 -2.247 10.154 1.958 1.00 45.24 H new ATOM 0 HB3 LYS A 117 -2.564 8.513 1.430 1.00 45.24 H new ATOM 0 HG2 LYS A 117 -4.984 8.808 2.091 1.00 25.03 H new ATOM 0 HG3 LYS A 117 -4.639 10.474 2.510 1.00 25.03 H new ATOM 0 HD2 LYS A 117 -3.973 10.959 0.163 1.00 0.31 H new ATOM 0 HD3 LYS A 117 -4.214 9.279 -0.275 1.00 0.31 H new ATOM 0 HE2 LYS A 117 -6.636 9.468 0.232 1.00 54.12 H new ATOM 0 HE3 LYS A 117 -6.416 11.128 0.749 1.00 54.12 H new ATOM 0 HZ1 LYS A 117 -7.240 11.015 -1.509 1.00 71.51 H new ATOM 0 HZ2 LYS A 117 -5.686 11.700 -1.492 1.00 71.51 H new ATOM 0 HZ3 LYS A 117 -5.899 10.092 -1.992 1.00 71.51 H new ATOM 1987 N GLU A 118 -4.333 9.634 5.089 1.00 63.04 N ATOM 1988 CA GLU A 118 -4.912 10.498 6.136 1.00 74.42 C ATOM 1989 C GLU A 118 -4.227 10.294 7.505 1.00 12.21 C ATOM 1990 O GLU A 118 -4.055 11.251 8.257 1.00 44.44 O ATOM 1991 CB GLU A 118 -6.445 10.270 6.266 1.00 50.11 C ATOM 1992 CG GLU A 118 -7.271 10.649 5.015 1.00 43.00 C ATOM 1993 CD GLU A 118 -7.184 12.137 4.624 1.00 10.32 C ATOM 1994 OE1 GLU A 118 -6.289 12.520 3.841 1.00 54.04 O ATOM 1995 OE2 GLU A 118 -8.012 12.939 5.108 1.00 33.32 O ATOM 0 H GLU A 118 -4.976 8.924 4.739 1.00 63.04 H new ATOM 0 HA GLU A 118 -4.734 11.528 5.826 1.00 74.42 H new ATOM 0 HB2 GLU A 118 -6.623 9.219 6.495 1.00 50.11 H new ATOM 0 HB3 GLU A 118 -6.812 10.848 7.114 1.00 50.11 H new ATOM 0 HG2 GLU A 118 -6.933 10.044 4.174 1.00 43.00 H new ATOM 0 HG3 GLU A 118 -8.315 10.393 5.192 1.00 43.00 H new ATOM 2002 N GLU A 119 -3.848 9.047 7.822 1.00 12.14 N ATOM 2003 CA GLU A 119 -3.238 8.706 9.126 1.00 22.53 C ATOM 2004 C GLU A 119 -1.740 9.047 9.167 1.00 71.04 C ATOM 2005 O GLU A 119 -1.213 9.448 10.211 1.00 71.23 O ATOM 2006 CB GLU A 119 -3.459 7.206 9.433 1.00 4.12 C ATOM 2007 CG GLU A 119 -4.940 6.800 9.566 1.00 63.14 C ATOM 2008 CD GLU A 119 -5.693 7.542 10.687 1.00 41.35 C ATOM 2009 OE1 GLU A 119 -5.368 7.330 11.871 1.00 24.54 O ATOM 2010 OE2 GLU A 119 -6.627 8.319 10.399 1.00 11.54 O ATOM 0 H GLU A 119 -3.952 8.251 7.193 1.00 12.14 H new ATOM 0 HA GLU A 119 -3.727 9.309 9.891 1.00 22.53 H new ATOM 0 HB2 GLU A 119 -3.001 6.613 8.641 1.00 4.12 H new ATOM 0 HB3 GLU A 119 -2.941 6.956 10.359 1.00 4.12 H new ATOM 0 HG2 GLU A 119 -5.444 6.987 8.618 1.00 63.14 H new ATOM 0 HG3 GLU A 119 -4.997 5.727 9.752 1.00 63.14 H new ATOM 2017 N ILE A 120 -1.059 8.881 8.022 1.00 60.31 N ATOM 2018 CA ILE A 120 0.400 9.071 7.935 1.00 13.44 C ATOM 2019 C ILE A 120 0.767 10.549 7.716 1.00 52.54 C ATOM 2020 O ILE A 120 1.928 10.926 7.909 1.00 53.53 O ATOM 2021 CB ILE A 120 1.046 8.170 6.812 1.00 13.41 C ATOM 2022 CG1 ILE A 120 0.601 8.631 5.385 1.00 41.53 C ATOM 2023 CG2 ILE A 120 0.693 6.682 7.050 1.00 31.23 C ATOM 2024 CD1 ILE A 120 1.213 7.853 4.224 1.00 64.15 C ATOM 0 H ILE A 120 -1.496 8.615 7.140 1.00 60.31 H new ATOM 0 HA ILE A 120 0.812 8.757 8.894 1.00 13.44 H new ATOM 0 HB ILE A 120 2.129 8.282 6.867 1.00 13.41 H new ATOM 0 HG12 ILE A 120 -0.484 8.554 5.319 1.00 41.53 H new ATOM 0 HG13 ILE A 120 0.854 9.685 5.267 1.00 41.53 H new ATOM 0 HG21 ILE A 120 1.145 6.071 6.268 1.00 31.23 H new ATOM 0 HG22 ILE A 120 1.075 6.368 8.022 1.00 31.23 H new ATOM 0 HG23 ILE A 120 -0.390 6.557 7.028 1.00 31.23 H new ATOM 0 HD11 ILE A 120 0.839 8.252 3.281 1.00 64.15 H new ATOM 0 HD12 ILE A 120 2.298 7.949 4.254 1.00 64.15 H new ATOM 0 HD13 ILE A 120 0.939 6.801 4.307 1.00 64.15 H new ATOM 2036 N LYS A 121 -0.229 11.396 7.355 1.00 74.00 N ATOM 2037 CA LYS A 121 0.016 12.840 7.142 1.00 41.03 C ATOM 2038 C LYS A 121 0.100 13.567 8.493 1.00 31.21 C ATOM 2039 O LYS A 121 0.595 14.694 8.565 1.00 25.15 O ATOM 2040 CB LYS A 121 -1.046 13.488 6.212 1.00 33.13 C ATOM 2041 CG LYS A 121 -2.476 13.617 6.778 1.00 24.44 C ATOM 2042 CD LYS A 121 -3.454 14.266 5.756 1.00 53.43 C ATOM 2043 CE LYS A 121 -4.878 14.445 6.317 1.00 53.15 C ATOM 2044 NZ LYS A 121 -5.814 15.045 5.326 1.00 41.23 N ATOM 0 H LYS A 121 -1.196 11.107 7.207 1.00 74.00 H new ATOM 0 HA LYS A 121 0.973 12.943 6.631 1.00 41.03 H new ATOM 0 HB2 LYS A 121 -0.697 14.484 5.939 1.00 33.13 H new ATOM 0 HB3 LYS A 121 -1.095 12.904 5.293 1.00 33.13 H new ATOM 0 HG2 LYS A 121 -2.846 12.630 7.056 1.00 24.44 H new ATOM 0 HG3 LYS A 121 -2.453 14.217 7.688 1.00 24.44 H new ATOM 0 HD2 LYS A 121 -3.063 15.238 5.454 1.00 53.43 H new ATOM 0 HD3 LYS A 121 -3.497 13.647 4.860 1.00 53.43 H new ATOM 0 HE2 LYS A 121 -5.264 13.476 6.635 1.00 53.15 H new ATOM 0 HE3 LYS A 121 -4.838 15.078 7.203 1.00 53.15 H new ATOM 0 HZ1 LYS A 121 -6.738 15.206 5.775 1.00 41.23 H new ATOM 0 HZ2 LYS A 121 -5.430 15.951 4.990 1.00 41.23 H new ATOM 0 HZ3 LYS A 121 -5.929 14.397 4.520 1.00 41.23 H new ATOM 2058 N ASN A 122 -0.382 12.897 9.563 1.00 41.43 N ATOM 2059 CA ASN A 122 -0.212 13.361 10.955 1.00 41.01 C ATOM 2060 C ASN A 122 1.275 13.340 11.371 1.00 43.22 C ATOM 2061 O ASN A 122 1.665 14.010 12.328 1.00 70.50 O ATOM 2062 CB ASN A 122 -1.024 12.462 11.928 1.00 35.30 C ATOM 2063 CG ASN A 122 -2.531 12.502 11.672 1.00 20.35 C ATOM 2064 OD1 ASN A 122 -3.056 11.732 10.869 1.00 41.02 O ATOM 2065 ND2 ASN A 122 -3.244 13.393 12.348 1.00 11.02 N ATOM 0 H ASN A 122 -0.899 12.021 9.485 1.00 41.43 H new ATOM 0 HA ASN A 122 -0.580 14.386 11.008 1.00 41.01 H new ATOM 0 HB2 ASN A 122 -0.674 11.433 11.839 1.00 35.30 H new ATOM 0 HB3 ASN A 122 -0.828 12.778 12.953 1.00 35.30 H new ATOM 0 HD21 ASN A 122 -4.253 13.451 12.208 1.00 11.02 H new ATOM 0 HD22 ASN A 122 -2.784 14.020 13.008 1.00 11.02 H new ATOM 2072 N ASN A 123 2.084 12.554 10.641 1.00 72.32 N ATOM 2073 CA ASN A 123 3.515 12.342 10.933 1.00 74.12 C ATOM 2074 C ASN A 123 4.387 13.340 10.139 1.00 24.23 C ATOM 2075 O ASN A 123 3.878 14.132 9.335 1.00 1.41 O ATOM 2076 CB ASN A 123 3.915 10.883 10.569 1.00 62.43 C ATOM 2077 CG ASN A 123 3.023 9.809 11.194 1.00 70.53 C ATOM 2078 OD1 ASN A 123 2.810 8.722 10.461 1.00 20.53 O flip ATOM 2079 ND2 ASN A 123 2.522 9.954 12.312 1.00 43.42 N flip ATOM 0 H ASN A 123 1.760 12.041 9.821 1.00 72.32 H new ATOM 0 HA ASN A 123 3.682 12.509 11.997 1.00 74.12 H new ATOM 0 HB2 ASN A 123 3.891 10.772 9.485 1.00 62.43 H new ATOM 0 HB3 ASN A 123 4.944 10.712 10.884 1.00 62.43 H new ATOM 0 HD21 ASN A 123 2.707 10.802 12.848 1.00 43.42 H new ATOM 0 HD22 ASN A 123 1.923 9.226 12.701 1.00 43.42 H new ATOM 2086 N ASN A 124 5.708 13.288 10.383 1.00 72.15 N ATOM 2087 CA ASN A 124 6.722 14.089 9.645 1.00 11.41 C ATOM 2088 C ASN A 124 7.597 13.175 8.764 1.00 21.11 C ATOM 2089 O ASN A 124 8.699 13.561 8.342 1.00 54.21 O ATOM 2090 CB ASN A 124 7.614 14.890 10.642 1.00 71.44 C ATOM 2091 CG ASN A 124 6.883 15.999 11.415 1.00 13.41 C ATOM 2092 OD1 ASN A 124 5.823 16.576 10.849 1.00 61.25 O flip ATOM 2093 ND2 ASN A 124 7.277 16.343 12.529 1.00 61.50 N flip ATOM 0 H ASN A 124 6.113 12.687 11.101 1.00 72.15 H new ATOM 0 HA ASN A 124 6.198 14.795 9.000 1.00 11.41 H new ATOM 0 HB2 ASN A 124 8.049 14.193 11.359 1.00 71.44 H new ATOM 0 HB3 ASN A 124 8.441 15.336 10.090 1.00 71.44 H new ATOM 0 HD21 ASN A 124 8.090 15.889 12.945 1.00 61.50 H new ATOM 0 HD22 ASN A 124 6.790 17.082 13.036 1.00 61.50 H new ATOM 2100 N ASN A 125 7.067 11.988 8.444 1.00 35.44 N ATOM 2101 CA ASN A 125 7.798 10.942 7.707 1.00 44.23 C ATOM 2102 C ASN A 125 7.518 11.008 6.202 1.00 40.23 C ATOM 2103 O ASN A 125 8.111 10.248 5.434 1.00 43.24 O ATOM 2104 CB ASN A 125 7.420 9.542 8.265 1.00 10.34 C ATOM 2105 CG ASN A 125 5.972 9.101 7.987 1.00 13.21 C ATOM 2106 OD1 ASN A 125 5.069 9.911 7.795 1.00 43.32 O ATOM 2107 ND2 ASN A 125 5.745 7.806 7.994 1.00 4.41 N ATOM 0 H ASN A 125 6.113 11.722 8.689 1.00 35.44 H new ATOM 0 HA ASN A 125 8.865 11.113 7.849 1.00 44.23 H new ATOM 0 HB2 ASN A 125 8.098 8.802 7.838 1.00 10.34 H new ATOM 0 HB3 ASN A 125 7.584 9.540 9.343 1.00 10.34 H new ATOM 0 HD21 ASN A 125 4.801 7.453 7.838 1.00 4.41 H new ATOM 0 HD22 ASN A 125 6.513 7.154 8.156 1.00 4.41 H new ATOM 2114 N ILE A 126 6.668 11.961 5.786 1.00 3.54 N ATOM 2115 CA ILE A 126 6.104 11.987 4.432 1.00 3.23 C ATOM 2116 C ILE A 126 7.177 12.318 3.392 1.00 65.03 C ATOM 2117 O ILE A 126 7.722 13.434 3.366 1.00 63.11 O ATOM 2118 CB ILE A 126 4.912 13.006 4.320 1.00 32.53 C ATOM 2119 CG1 ILE A 126 3.729 12.565 5.239 1.00 44.14 C ATOM 2120 CG2 ILE A 126 4.439 13.180 2.844 1.00 62.13 C ATOM 2121 CD1 ILE A 126 3.081 11.258 4.831 1.00 53.01 C ATOM 0 H ILE A 126 6.355 12.731 6.378 1.00 3.54 H new ATOM 0 HA ILE A 126 5.718 10.988 4.229 1.00 3.23 H new ATOM 0 HB ILE A 126 5.271 13.977 4.660 1.00 32.53 H new ATOM 0 HG12 ILE A 126 4.093 12.473 6.262 1.00 44.14 H new ATOM 0 HG13 ILE A 126 2.972 13.349 5.239 1.00 44.14 H new ATOM 0 HG21 ILE A 126 3.614 13.892 2.808 1.00 62.13 H new ATOM 0 HG22 ILE A 126 5.266 13.551 2.238 1.00 62.13 H new ATOM 0 HG23 ILE A 126 4.106 12.219 2.453 1.00 62.13 H new ATOM 0 HD11 ILE A 126 2.269 11.024 5.520 1.00 53.01 H new ATOM 0 HD12 ILE A 126 2.684 11.349 3.820 1.00 53.01 H new ATOM 0 HD13 ILE A 126 3.823 10.460 4.859 1.00 53.01 H new ATOM 2133 N MET A 127 7.473 11.326 2.547 1.00 53.22 N ATOM 2134 CA MET A 127 8.282 11.512 1.350 1.00 73.42 C ATOM 2135 C MET A 127 7.340 12.055 0.268 1.00 53.23 C ATOM 2136 O MET A 127 6.329 11.423 -0.079 1.00 73.13 O ATOM 2137 CB MET A 127 8.979 10.179 0.936 1.00 70.12 C ATOM 2138 CG MET A 127 8.032 8.982 0.751 1.00 43.11 C ATOM 2139 SD MET A 127 8.889 7.398 0.657 1.00 13.12 S ATOM 2140 CE MET A 127 9.739 7.532 -0.909 1.00 72.32 C ATOM 0 H MET A 127 7.153 10.367 2.680 1.00 53.22 H new ATOM 0 HA MET A 127 9.095 12.218 1.518 1.00 73.42 H new ATOM 0 HB2 MET A 127 9.519 10.343 0.004 1.00 70.12 H new ATOM 0 HB3 MET A 127 9.720 9.923 1.693 1.00 70.12 H new ATOM 0 HG2 MET A 127 7.325 8.956 1.581 1.00 43.11 H new ATOM 0 HG3 MET A 127 7.450 9.126 -0.159 1.00 43.11 H new ATOM 0 HE1 MET A 127 10.443 6.707 -1.013 1.00 72.32 H new ATOM 0 HE2 MET A 127 9.013 7.494 -1.721 1.00 72.32 H new ATOM 0 HE3 MET A 127 10.280 8.478 -0.950 1.00 72.32 H new ATOM 2150 N ILE A 128 7.653 13.258 -0.226 1.00 24.04 N ATOM 2151 CA ILE A 128 6.765 14.025 -1.123 1.00 71.14 C ATOM 2152 C ILE A 128 6.799 13.443 -2.566 1.00 3.34 C ATOM 2153 O ILE A 128 6.103 13.923 -3.454 1.00 20.34 O ATOM 2154 CB ILE A 128 7.156 15.562 -1.108 1.00 12.22 C ATOM 2155 CG1 ILE A 128 7.350 16.064 0.366 1.00 62.01 C ATOM 2156 CG2 ILE A 128 6.103 16.436 -1.843 1.00 34.31 C ATOM 2157 CD1 ILE A 128 7.862 17.493 0.493 1.00 63.11 C ATOM 0 H ILE A 128 8.531 13.733 -0.017 1.00 24.04 H new ATOM 0 HA ILE A 128 5.742 13.936 -0.758 1.00 71.14 H new ATOM 0 HB ILE A 128 8.099 15.664 -1.646 1.00 12.22 H new ATOM 0 HG12 ILE A 128 6.397 15.987 0.889 1.00 62.01 H new ATOM 0 HG13 ILE A 128 8.047 15.397 0.873 1.00 62.01 H new ATOM 0 HG21 ILE A 128 6.410 17.481 -1.809 1.00 34.31 H new ATOM 0 HG22 ILE A 128 6.024 16.115 -2.882 1.00 34.31 H new ATOM 0 HG23 ILE A 128 5.135 16.326 -1.355 1.00 34.31 H new ATOM 0 HD11 ILE A 128 7.964 17.750 1.547 1.00 63.11 H new ATOM 0 HD12 ILE A 128 8.832 17.577 0.003 1.00 63.11 H new ATOM 0 HD13 ILE A 128 7.156 18.176 0.020 1.00 63.11 H new ATOM 2169 N LYS A 129 7.629 12.405 -2.781 1.00 23.44 N ATOM 2170 CA LYS A 129 7.731 11.655 -4.052 1.00 24.20 C ATOM 2171 C LYS A 129 7.571 10.144 -3.758 1.00 3.31 C ATOM 2172 O LYS A 129 7.992 9.661 -2.705 1.00 73.51 O ATOM 2173 CB LYS A 129 9.103 11.923 -4.778 1.00 4.20 C ATOM 2174 CG LYS A 129 9.194 13.201 -5.663 1.00 23.52 C ATOM 2175 CD LYS A 129 8.992 14.524 -4.889 1.00 43.42 C ATOM 2176 CE LYS A 129 9.179 15.768 -5.772 1.00 52.30 C ATOM 2177 NZ LYS A 129 10.580 15.914 -6.253 1.00 1.43 N ATOM 0 H LYS A 129 8.262 12.055 -2.062 1.00 23.44 H new ATOM 0 HA LYS A 129 6.939 11.994 -4.719 1.00 24.20 H new ATOM 0 HB2 LYS A 129 9.883 11.980 -4.019 1.00 4.20 H new ATOM 0 HB3 LYS A 129 9.330 11.060 -5.404 1.00 4.20 H new ATOM 0 HG2 LYS A 129 10.169 13.223 -6.150 1.00 23.52 H new ATOM 0 HG3 LYS A 129 8.445 13.137 -6.452 1.00 23.52 H new ATOM 0 HD2 LYS A 129 7.991 14.538 -4.458 1.00 43.42 H new ATOM 0 HD3 LYS A 129 9.697 14.565 -4.059 1.00 43.42 H new ATOM 0 HE2 LYS A 129 8.508 15.707 -6.629 1.00 52.30 H new ATOM 0 HE3 LYS A 129 8.896 16.657 -5.208 1.00 52.30 H new ATOM 0 HZ1 LYS A 129 10.685 16.825 -6.743 1.00 1.43 H new ATOM 0 HZ2 LYS A 129 11.231 15.880 -5.442 1.00 1.43 H new ATOM 0 HZ3 LYS A 129 10.804 15.139 -6.910 1.00 1.43 H new ATOM 2191 N TYR A 130 6.959 9.418 -4.708 1.00 22.44 N ATOM 2192 CA TYR A 130 6.766 7.954 -4.650 1.00 0.23 C ATOM 2193 C TYR A 130 7.193 7.328 -6.002 1.00 41.01 C ATOM 2194 O TYR A 130 7.529 8.050 -6.953 1.00 63.34 O ATOM 2195 CB TYR A 130 5.271 7.615 -4.327 1.00 74.31 C ATOM 2196 CG TYR A 130 4.285 7.835 -5.502 1.00 54.03 C ATOM 2197 CD1 TYR A 130 4.045 9.112 -6.018 1.00 20.15 C ATOM 2198 CD2 TYR A 130 3.633 6.760 -6.115 1.00 74.11 C ATOM 2199 CE1 TYR A 130 3.207 9.300 -7.100 1.00 10.31 C ATOM 2200 CE2 TYR A 130 2.787 6.950 -7.188 1.00 64.05 C ATOM 2201 CZ TYR A 130 2.582 8.219 -7.682 1.00 21.34 C ATOM 2202 OH TYR A 130 1.760 8.409 -8.777 1.00 1.33 O ATOM 0 H TYR A 130 6.576 9.837 -5.555 1.00 22.44 H new ATOM 0 HA TYR A 130 7.384 7.537 -3.855 1.00 0.23 H new ATOM 0 HB2 TYR A 130 5.210 6.574 -4.010 1.00 74.31 H new ATOM 0 HB3 TYR A 130 4.949 8.225 -3.483 1.00 74.31 H new ATOM 0 HD1 TYR A 130 4.523 9.967 -5.563 1.00 20.15 H new ATOM 0 HD2 TYR A 130 3.795 5.760 -5.740 1.00 74.11 H new ATOM 0 HE1 TYR A 130 3.042 10.294 -7.489 1.00 10.31 H new ATOM 0 HE2 TYR A 130 2.287 6.106 -7.639 1.00 64.05 H new ATOM 0 HH TYR A 130 0.912 8.803 -8.485 1.00 1.33 H new ATOM 2212 N HIS A 131 7.187 5.986 -6.069 1.00 1.41 N ATOM 2213 CA HIS A 131 7.481 5.226 -7.304 1.00 23.12 C ATOM 2214 C HIS A 131 6.165 4.693 -7.924 1.00 5.41 C ATOM 2215 O HIS A 131 5.579 3.761 -7.385 1.00 62.12 O ATOM 2216 CB HIS A 131 8.453 4.066 -6.984 1.00 21.54 C ATOM 2217 CG HIS A 131 9.784 4.536 -6.468 1.00 40.04 C ATOM 2218 ND1 HIS A 131 10.698 5.133 -7.301 1.00 21.41 N ATOM 2219 CD2 HIS A 131 10.296 4.486 -5.214 1.00 45.41 C ATOM 2220 CE1 HIS A 131 11.732 5.432 -6.548 1.00 5.12 C ATOM 2221 NE2 HIS A 131 11.536 5.060 -5.275 1.00 35.23 N ATOM 0 H HIS A 131 6.978 5.392 -5.267 1.00 1.41 H new ATOM 0 HA HIS A 131 7.957 5.884 -8.031 1.00 23.12 H new ATOM 0 HB2 HIS A 131 7.995 3.410 -6.244 1.00 21.54 H new ATOM 0 HB3 HIS A 131 8.609 3.472 -7.884 1.00 21.54 H new ATOM 0 HD2 HIS A 131 9.818 4.073 -4.338 1.00 45.41 H new ATOM 0 HE1 HIS A 131 12.627 5.916 -6.909 1.00 5.12 H new ATOM 0 HE2 HIS A 131 12.187 5.182 -4.500 1.00 35.23 H new ATOM 2229 N PRO A 132 5.684 5.281 -9.067 1.00 4.31 N ATOM 2230 CA PRO A 132 4.349 4.963 -9.660 1.00 22.33 C ATOM 2231 C PRO A 132 4.245 3.582 -10.346 1.00 42.23 C ATOM 2232 O PRO A 132 3.155 3.196 -10.776 1.00 74.25 O ATOM 2233 CB PRO A 132 4.162 6.110 -10.683 1.00 3.04 C ATOM 2234 CG PRO A 132 5.551 6.448 -11.114 1.00 42.24 C ATOM 2235 CD PRO A 132 6.394 6.319 -9.861 1.00 53.01 C ATOM 0 HA PRO A 132 3.581 4.898 -8.889 1.00 22.33 H new ATOM 0 HB2 PRO A 132 3.549 5.794 -11.527 1.00 3.04 H new ATOM 0 HB3 PRO A 132 3.665 6.969 -10.232 1.00 3.04 H new ATOM 0 HG2 PRO A 132 5.898 5.770 -11.894 1.00 42.24 H new ATOM 0 HG3 PRO A 132 5.603 7.457 -11.522 1.00 42.24 H new ATOM 0 HD2 PRO A 132 7.415 6.017 -10.094 1.00 53.01 H new ATOM 0 HD3 PRO A 132 6.457 7.264 -9.321 1.00 53.01 H new ATOM 2243 N LYS A 133 5.365 2.859 -10.471 1.00 63.32 N ATOM 2244 CA LYS A 133 5.396 1.513 -11.088 1.00 3.20 C ATOM 2245 C LYS A 133 5.636 0.429 -10.030 1.00 4.22 C ATOM 2246 O LYS A 133 5.684 0.712 -8.830 1.00 63.40 O ATOM 2247 CB LYS A 133 6.496 1.457 -12.184 1.00 2.14 C ATOM 2248 CG LYS A 133 6.182 2.270 -13.456 1.00 0.12 C ATOM 2249 CD LYS A 133 4.935 1.753 -14.209 1.00 24.12 C ATOM 2250 CE LYS A 133 4.735 2.462 -15.555 1.00 42.34 C ATOM 2251 NZ LYS A 133 3.540 1.961 -16.275 1.00 13.53 N ATOM 0 H LYS A 133 6.277 3.184 -10.150 1.00 63.32 H new ATOM 0 HA LYS A 133 4.427 1.322 -11.549 1.00 3.20 H new ATOM 0 HB2 LYS A 133 7.432 1.820 -11.759 1.00 2.14 H new ATOM 0 HB3 LYS A 133 6.657 0.416 -12.465 1.00 2.14 H new ATOM 0 HG2 LYS A 133 6.029 3.315 -13.185 1.00 0.12 H new ATOM 0 HG3 LYS A 133 7.043 2.237 -14.124 1.00 0.12 H new ATOM 0 HD2 LYS A 133 5.033 0.680 -14.376 1.00 24.12 H new ATOM 0 HD3 LYS A 133 4.051 1.900 -13.588 1.00 24.12 H new ATOM 0 HE2 LYS A 133 4.634 3.534 -15.388 1.00 42.34 H new ATOM 0 HE3 LYS A 133 5.619 2.317 -16.176 1.00 42.34 H new ATOM 0 HZ1 LYS A 133 3.442 2.466 -17.179 1.00 13.53 H new ATOM 0 HZ2 LYS A 133 3.646 0.943 -16.458 1.00 13.53 H new ATOM 0 HZ3 LYS A 133 2.692 2.122 -15.695 1.00 13.53 H new ATOM 2265 N PHE A 134 5.790 -0.816 -10.508 1.00 42.34 N ATOM 2266 CA PHE A 134 6.090 -1.974 -9.668 1.00 22.14 C ATOM 2267 C PHE A 134 7.610 -2.123 -9.591 1.00 65.31 C ATOM 2268 O PHE A 134 8.263 -2.363 -10.617 1.00 0.21 O ATOM 2269 CB PHE A 134 5.455 -3.268 -10.248 1.00 35.40 C ATOM 2270 CG PHE A 134 3.929 -3.232 -10.319 1.00 32.34 C ATOM 2271 CD1 PHE A 134 3.160 -3.474 -9.180 1.00 70.01 C ATOM 2272 CD2 PHE A 134 3.264 -2.955 -11.519 1.00 73.32 C ATOM 2273 CE1 PHE A 134 1.780 -3.442 -9.233 1.00 52.20 C ATOM 2274 CE2 PHE A 134 1.882 -2.922 -11.571 1.00 40.10 C ATOM 2275 CZ PHE A 134 1.143 -3.168 -10.432 1.00 42.24 C ATOM 0 H PHE A 134 5.708 -1.043 -11.499 1.00 42.34 H new ATOM 0 HA PHE A 134 5.669 -1.821 -8.674 1.00 22.14 H new ATOM 0 HB2 PHE A 134 5.851 -3.438 -11.249 1.00 35.40 H new ATOM 0 HB3 PHE A 134 5.760 -4.117 -9.636 1.00 35.40 H new ATOM 0 HD1 PHE A 134 3.651 -3.690 -8.243 1.00 70.01 H new ATOM 0 HD2 PHE A 134 3.836 -2.765 -12.415 1.00 73.32 H new ATOM 0 HE1 PHE A 134 1.199 -3.630 -8.342 1.00 52.20 H new ATOM 0 HE2 PHE A 134 1.382 -2.704 -12.503 1.00 40.10 H new ATOM 0 HZ PHE A 134 0.064 -3.147 -10.476 1.00 42.24 H new ATOM 2285 N TRP A 135 8.168 -1.924 -8.389 1.00 71.23 N ATOM 2286 CA TRP A 135 9.592 -2.142 -8.108 1.00 74.33 C ATOM 2287 C TRP A 135 9.930 -3.645 -8.128 1.00 13.42 C ATOM 2288 O TRP A 135 9.996 -4.309 -7.086 1.00 33.22 O ATOM 2289 CB TRP A 135 10.005 -1.452 -6.761 1.00 65.35 C ATOM 2290 CG TRP A 135 10.690 -0.117 -6.952 1.00 73.14 C ATOM 2291 CD1 TRP A 135 10.269 0.930 -7.726 1.00 53.44 C ATOM 2292 CD2 TRP A 135 11.932 0.302 -6.364 1.00 23.44 C ATOM 2293 NE1 TRP A 135 11.174 1.959 -7.657 1.00 21.12 N ATOM 2294 CE2 TRP A 135 12.201 1.599 -6.830 1.00 12.12 C ATOM 2295 CE3 TRP A 135 12.840 -0.300 -5.493 1.00 11.01 C ATOM 2296 CZ2 TRP A 135 13.334 2.306 -6.453 1.00 21.34 C ATOM 2297 CZ3 TRP A 135 13.966 0.403 -5.116 1.00 40.04 C ATOM 2298 CH2 TRP A 135 14.207 1.695 -5.598 1.00 43.13 C ATOM 0 H TRP A 135 7.638 -1.604 -7.578 1.00 71.23 H new ATOM 0 HA TRP A 135 10.180 -1.675 -8.898 1.00 74.33 H new ATOM 0 HB2 TRP A 135 9.116 -1.310 -6.147 1.00 65.35 H new ATOM 0 HB3 TRP A 135 10.670 -2.117 -6.210 1.00 65.35 H new ATOM 0 HD1 TRP A 135 9.358 0.944 -8.306 1.00 53.44 H new ATOM 0 HE1 TRP A 135 11.093 2.851 -8.145 1.00 21.12 H new ATOM 0 HE3 TRP A 135 12.665 -1.298 -5.120 1.00 11.01 H new ATOM 0 HZ2 TRP A 135 13.519 3.304 -6.822 1.00 21.34 H new ATOM 0 HZ3 TRP A 135 14.673 -0.051 -4.438 1.00 40.04 H new ATOM 0 HH2 TRP A 135 15.099 2.218 -5.288 1.00 43.13 H new ATOM 2309 N THR A 136 10.066 -4.166 -9.350 1.00 23.12 N ATOM 2310 CA THR A 136 10.573 -5.505 -9.613 1.00 34.21 C ATOM 2311 C THR A 136 12.098 -5.397 -9.801 1.00 64.20 C ATOM 2312 O THR A 136 12.579 -4.411 -10.388 1.00 31.03 O ATOM 2313 CB THR A 136 9.879 -6.105 -10.875 1.00 5.30 C ATOM 2314 OG1 THR A 136 8.450 -6.007 -10.720 1.00 75.20 O ATOM 2315 CG2 THR A 136 10.263 -7.574 -11.121 1.00 72.22 C ATOM 0 H THR A 136 9.820 -3.655 -10.198 1.00 23.12 H new ATOM 0 HA THR A 136 10.355 -6.176 -8.782 1.00 34.21 H new ATOM 0 HB THR A 136 10.218 -5.532 -11.738 1.00 5.30 H new ATOM 0 HG1 THR A 136 8.009 -6.381 -11.511 1.00 75.20 H new ATOM 0 HG21 THR A 136 9.751 -7.940 -12.011 1.00 72.22 H new ATOM 0 HG22 THR A 136 11.341 -7.649 -11.265 1.00 72.22 H new ATOM 0 HG23 THR A 136 9.969 -8.176 -10.261 1.00 72.22 H new ATOM 2323 N ASP A 137 12.837 -6.404 -9.301 1.00 32.24 N ATOM 2324 CA ASP A 137 14.305 -6.360 -9.158 1.00 2.11 C ATOM 2325 C ASP A 137 15.029 -6.066 -10.507 1.00 24.23 C ATOM 2326 O ASP A 137 15.106 -6.913 -11.402 1.00 44.54 O ATOM 2327 CB ASP A 137 14.808 -7.672 -8.502 1.00 0.25 C ATOM 2328 CG ASP A 137 14.462 -8.939 -9.310 1.00 41.35 C ATOM 2329 OD1 ASP A 137 13.316 -9.421 -9.229 1.00 4.34 O ATOM 2330 OD2 ASP A 137 15.326 -9.429 -10.064 1.00 23.12 O ATOM 0 H ASP A 137 12.427 -7.282 -8.981 1.00 32.24 H new ATOM 0 HA ASP A 137 14.555 -5.525 -8.503 1.00 2.11 H new ATOM 0 HB2 ASP A 137 15.889 -7.615 -8.378 1.00 0.25 H new ATOM 0 HB3 ASP A 137 14.377 -7.758 -7.505 1.00 0.25 H new ATOM 2335 N GLY A 138 15.478 -4.805 -10.655 1.00 15.05 N ATOM 2336 CA GLY A 138 16.289 -4.371 -11.799 1.00 33.44 C ATOM 2337 C GLY A 138 15.519 -4.297 -13.119 1.00 1.20 C ATOM 2338 O GLY A 138 16.118 -4.104 -14.181 1.00 4.22 O ATOM 0 H GLY A 138 15.287 -4.062 -9.983 1.00 15.05 H new ATOM 0 HA2 GLY A 138 16.710 -3.389 -11.581 1.00 33.44 H new ATOM 0 HA3 GLY A 138 17.127 -5.058 -11.918 1.00 33.44 H new ATOM 2342 N SER A 139 14.193 -4.436 -13.043 1.00 32.40 N ATOM 2343 CA SER A 139 13.306 -4.466 -14.214 1.00 65.14 C ATOM 2344 C SER A 139 12.882 -3.043 -14.633 1.00 31.32 C ATOM 2345 O SER A 139 13.367 -2.047 -14.067 1.00 11.42 O ATOM 2346 CB SER A 139 12.076 -5.326 -13.874 1.00 0.43 C ATOM 2347 OG SER A 139 12.459 -6.639 -13.496 1.00 24.23 O ATOM 0 H SER A 139 13.697 -4.532 -12.157 1.00 32.40 H new ATOM 0 HA SER A 139 13.839 -4.901 -15.060 1.00 65.14 H new ATOM 0 HB2 SER A 139 11.515 -4.860 -13.064 1.00 0.43 H new ATOM 0 HB3 SER A 139 11.411 -5.372 -14.736 1.00 0.43 H new ATOM 0 HG SER A 139 11.663 -7.208 -13.438 1.00 24.23 H new ATOM 2353 N TYR A 140 12.001 -2.963 -15.653 1.00 53.11 N ATOM 2354 CA TYR A 140 11.397 -1.696 -16.091 1.00 71.21 C ATOM 2355 C TYR A 140 10.433 -1.157 -15.021 1.00 73.54 C ATOM 2356 O TYR A 140 9.229 -1.438 -15.025 1.00 73.40 O ATOM 2357 CB TYR A 140 10.686 -1.835 -17.467 1.00 42.54 C ATOM 2358 CG TYR A 140 11.652 -1.939 -18.658 1.00 31.23 C ATOM 2359 CD1 TYR A 140 12.319 -0.807 -19.137 1.00 4.42 C ATOM 2360 CD2 TYR A 140 11.897 -3.153 -19.298 1.00 14.12 C ATOM 2361 CE1 TYR A 140 13.189 -0.893 -20.206 1.00 42.42 C ATOM 2362 CE2 TYR A 140 12.766 -3.236 -20.365 1.00 1.41 C ATOM 2363 CZ TYR A 140 13.407 -2.108 -20.814 1.00 73.30 C ATOM 2364 OH TYR A 140 14.275 -2.192 -21.880 1.00 20.30 O ATOM 0 H TYR A 140 11.693 -3.773 -16.191 1.00 53.11 H new ATOM 0 HA TYR A 140 12.205 -0.976 -16.222 1.00 71.21 H new ATOM 0 HB2 TYR A 140 10.050 -2.720 -17.449 1.00 42.54 H new ATOM 0 HB3 TYR A 140 10.032 -0.976 -17.616 1.00 42.54 H new ATOM 0 HD1 TYR A 140 12.151 0.149 -18.664 1.00 4.42 H new ATOM 0 HD2 TYR A 140 11.397 -4.045 -18.951 1.00 14.12 H new ATOM 0 HE1 TYR A 140 13.697 -0.009 -20.564 1.00 42.42 H new ATOM 0 HE2 TYR A 140 12.942 -4.186 -20.847 1.00 1.41 H new ATOM 0 HH TYR A 140 14.318 -3.119 -22.194 1.00 20.30 H new ATOM 2374 N GLN A 141 11.025 -0.436 -14.070 1.00 13.22 N ATOM 2375 CA GLN A 141 10.310 0.361 -13.080 1.00 63.45 C ATOM 2376 C GLN A 141 10.014 1.737 -13.701 1.00 32.13 C ATOM 2377 O GLN A 141 10.126 1.920 -14.923 1.00 11.03 O ATOM 2378 CB GLN A 141 11.206 0.499 -11.818 1.00 43.01 C ATOM 2379 CG GLN A 141 11.654 -0.844 -11.181 1.00 71.03 C ATOM 2380 CD GLN A 141 13.019 -0.753 -10.509 1.00 3.21 C ATOM 2381 OE1 GLN A 141 13.133 -0.305 -9.372 1.00 23.20 O ATOM 2382 NE2 GLN A 141 14.059 -1.226 -11.186 1.00 15.31 N ATOM 0 H GLN A 141 12.039 -0.390 -13.966 1.00 13.22 H new ATOM 0 HA GLN A 141 9.370 -0.108 -12.789 1.00 63.45 H new ATOM 0 HB2 GLN A 141 12.094 1.072 -12.083 1.00 43.01 H new ATOM 0 HB3 GLN A 141 10.665 1.077 -11.068 1.00 43.01 H new ATOM 0 HG2 GLN A 141 10.913 -1.157 -10.446 1.00 71.03 H new ATOM 0 HG3 GLN A 141 11.684 -1.614 -11.952 1.00 71.03 H new ATOM 0 HE21 GLN A 141 13.930 -1.591 -12.130 1.00 15.31 H new ATOM 0 HE22 GLN A 141 14.987 -1.224 -10.762 1.00 15.31 H new ATOM 2391 N CYS A 142 9.629 2.686 -12.861 1.00 45.24 N ATOM 2392 CA CYS A 142 9.445 4.085 -13.246 1.00 43.20 C ATOM 2393 C CYS A 142 10.807 4.765 -13.455 1.00 43.22 C ATOM 2394 O CYS A 142 11.077 5.348 -14.507 1.00 53.20 O ATOM 2395 CB CYS A 142 8.627 4.765 -12.135 1.00 33.31 C ATOM 2396 SG CYS A 142 9.027 4.152 -10.464 1.00 41.40 S ATOM 0 H CYS A 142 9.432 2.507 -11.876 1.00 45.24 H new ATOM 0 HA CYS A 142 8.910 4.165 -14.192 1.00 43.20 H new ATOM 0 HB2 CYS A 142 8.802 5.840 -12.171 1.00 33.31 H new ATOM 0 HB3 CYS A 142 7.566 4.608 -12.327 1.00 33.31 H new ATOM 0 HG CYS A 142 9.450 5.138 -9.730 1.00 41.40 H new ATOM 2401 N CYS A 143 11.649 4.685 -12.426 1.00 33.02 N ATOM 2402 CA CYS A 143 13.025 5.214 -12.447 1.00 11.33 C ATOM 2403 C CYS A 143 14.040 4.130 -12.872 1.00 23.34 C ATOM 2404 O CYS A 143 15.225 4.432 -13.080 1.00 11.44 O ATOM 2405 CB CYS A 143 13.347 5.733 -11.041 1.00 51.32 C ATOM 2406 SG CYS A 143 13.002 4.502 -9.741 1.00 51.42 S ATOM 0 H CYS A 143 11.398 4.247 -11.540 1.00 33.02 H new ATOM 0 HA CYS A 143 13.099 6.019 -13.178 1.00 11.33 H new ATOM 0 HB2 CYS A 143 14.398 6.019 -10.995 1.00 51.32 H new ATOM 0 HB3 CYS A 143 12.763 6.633 -10.848 1.00 51.32 H new ATOM 0 HG CYS A 143 11.957 4.870 -9.061 1.00 51.42 H new ATOM 2411 N ARG A 144 13.555 2.866 -12.992 1.00 44.51 N ATOM 2412 CA ARG A 144 14.376 1.675 -13.340 1.00 74.15 C ATOM 2413 C ARG A 144 15.538 1.463 -12.337 1.00 12.10 C ATOM 2414 O ARG A 144 16.567 0.878 -12.685 1.00 10.42 O ATOM 2415 CB ARG A 144 14.918 1.736 -14.812 1.00 64.04 C ATOM 2416 CG ARG A 144 13.860 1.615 -15.945 1.00 72.21 C ATOM 2417 CD ARG A 144 13.007 2.883 -16.134 1.00 34.02 C ATOM 2418 NE ARG A 144 12.122 2.788 -17.305 1.00 41.15 N ATOM 2419 CZ ARG A 144 11.333 3.778 -17.765 1.00 1.31 C ATOM 2420 NH1 ARG A 144 11.283 4.960 -17.172 1.00 52.43 N ATOM 2421 NH2 ARG A 144 10.606 3.577 -18.847 1.00 1.54 N ATOM 0 H ARG A 144 12.570 2.643 -12.848 1.00 44.51 H new ATOM 0 HA ARG A 144 13.711 0.815 -13.271 1.00 74.15 H new ATOM 0 HB2 ARG A 144 15.450 2.678 -14.941 1.00 64.04 H new ATOM 0 HB3 ARG A 144 15.648 0.937 -14.940 1.00 64.04 H new ATOM 0 HG2 ARG A 144 14.368 1.387 -16.882 1.00 72.21 H new ATOM 0 HG3 ARG A 144 13.202 0.774 -15.727 1.00 72.21 H new ATOM 0 HD2 ARG A 144 12.407 3.052 -15.240 1.00 34.02 H new ATOM 0 HD3 ARG A 144 13.663 3.747 -16.245 1.00 34.02 H new ATOM 0 HE ARG A 144 12.104 1.901 -17.809 1.00 41.15 H new ATOM 0 HH11 ARG A 144 11.851 5.140 -16.344 1.00 52.43 H new ATOM 0 HH12 ARG A 144 10.676 5.691 -17.543 1.00 52.43 H new ATOM 0 HH21 ARG A 144 10.644 2.678 -19.328 1.00 1.54 H new ATOM 0 HH22 ARG A 144 10.005 4.320 -19.203 1.00 1.54 H new ATOM 2435 N GLN A 145 15.348 1.897 -11.076 1.00 11.41 N ATOM 2436 CA GLN A 145 16.408 1.833 -10.048 1.00 0.30 C ATOM 2437 C GLN A 145 16.592 0.409 -9.481 1.00 14.55 C ATOM 2438 O GLN A 145 17.351 -0.382 -10.065 1.00 42.32 O ATOM 2439 CB GLN A 145 16.184 2.893 -8.923 1.00 52.11 C ATOM 2440 CG GLN A 145 16.448 4.337 -9.376 1.00 32.01 C ATOM 2441 CD GLN A 145 16.362 5.365 -8.249 1.00 73.13 C ATOM 2442 OE1 GLN A 145 17.349 5.652 -7.570 1.00 53.35 O ATOM 2443 NE2 GLN A 145 15.182 5.933 -8.040 1.00 73.12 N ATOM 0 H GLN A 145 14.470 2.296 -10.743 1.00 11.41 H new ATOM 0 HA GLN A 145 17.345 2.086 -10.544 1.00 0.30 H new ATOM 0 HB2 GLN A 145 15.158 2.816 -8.562 1.00 52.11 H new ATOM 0 HB3 GLN A 145 16.836 2.660 -8.081 1.00 52.11 H new ATOM 0 HG2 GLN A 145 17.438 4.390 -9.828 1.00 32.01 H new ATOM 0 HG3 GLN A 145 15.729 4.601 -10.151 1.00 32.01 H new ATOM 0 HE21 GLN A 145 14.382 5.675 -8.618 1.00 73.12 H new ATOM 0 HE22 GLN A 145 15.074 6.628 -7.301 1.00 73.12 H new ATOM 2452 N THR A 146 15.874 0.072 -8.369 1.00 75.12 N ATOM 2453 CA THR A 146 16.221 -1.084 -7.493 1.00 71.00 C ATOM 2454 C THR A 146 17.687 -0.919 -6.949 1.00 4.20 C ATOM 2455 O THR A 146 18.331 -1.853 -6.460 1.00 21.24 O ATOM 2456 CB THR A 146 15.959 -2.445 -8.249 1.00 2.32 C ATOM 2457 OG1 THR A 146 14.579 -2.537 -8.616 1.00 31.44 O ATOM 2458 CG2 THR A 146 16.295 -3.703 -7.437 1.00 40.31 C ATOM 0 H THR A 146 15.050 0.587 -8.060 1.00 75.12 H new ATOM 0 HA THR A 146 15.572 -1.106 -6.617 1.00 71.00 H new ATOM 0 HB THR A 146 16.624 -2.420 -9.112 1.00 2.32 H new ATOM 0 HG1 THR A 146 14.181 -3.328 -8.196 1.00 31.44 H new ATOM 0 HG21 THR A 146 16.084 -4.589 -8.035 1.00 40.31 H new ATOM 0 HG22 THR A 146 17.351 -3.691 -7.167 1.00 40.31 H new ATOM 0 HG23 THR A 146 15.689 -3.724 -6.531 1.00 40.31 H new ATOM 2466 N GLU A 147 18.159 0.338 -6.975 1.00 41.43 N ATOM 2467 CA GLU A 147 19.526 0.708 -6.604 1.00 52.22 C ATOM 2468 C GLU A 147 19.674 0.729 -5.076 1.00 11.33 C ATOM 2469 O GLU A 147 20.566 0.074 -4.514 1.00 13.22 O ATOM 2470 CB GLU A 147 19.867 2.102 -7.221 1.00 62.35 C ATOM 2471 CG GLU A 147 21.262 2.668 -6.859 1.00 65.54 C ATOM 2472 CD GLU A 147 22.431 1.745 -7.258 1.00 12.13 C ATOM 2473 OE1 GLU A 147 22.846 1.768 -8.435 1.00 44.11 O ATOM 2474 OE2 GLU A 147 22.934 0.990 -6.409 1.00 24.32 O ATOM 0 H GLU A 147 17.589 1.135 -7.259 1.00 41.43 H new ATOM 0 HA GLU A 147 20.226 -0.030 -6.996 1.00 52.22 H new ATOM 0 HB2 GLU A 147 19.795 2.027 -8.306 1.00 62.35 H new ATOM 0 HB3 GLU A 147 19.110 2.817 -6.900 1.00 62.35 H new ATOM 0 HG2 GLU A 147 21.390 3.633 -7.349 1.00 65.54 H new ATOM 0 HG3 GLU A 147 21.303 2.847 -5.785 1.00 65.54 H new ATOM 2481 N LYS A 148 18.753 1.444 -4.419 1.00 50.55 N ATOM 2482 CA LYS A 148 18.770 1.659 -2.968 1.00 75.31 C ATOM 2483 C LYS A 148 17.330 1.920 -2.502 1.00 34.15 C ATOM 2484 O LYS A 148 16.378 1.711 -3.270 1.00 34.32 O ATOM 2485 CB LYS A 148 19.713 2.870 -2.630 1.00 33.52 C ATOM 2486 CG LYS A 148 20.599 2.676 -1.380 1.00 34.31 C ATOM 2487 CD LYS A 148 21.660 1.559 -1.566 1.00 60.11 C ATOM 2488 CE LYS A 148 22.651 1.857 -2.714 1.00 41.10 C ATOM 2489 NZ LYS A 148 23.612 0.746 -2.920 1.00 50.23 N ATOM 0 H LYS A 148 17.966 1.895 -4.886 1.00 50.55 H new ATOM 0 HA LYS A 148 19.156 0.782 -2.448 1.00 75.31 H new ATOM 0 HB2 LYS A 148 20.358 3.060 -3.488 1.00 33.52 H new ATOM 0 HB3 LYS A 148 19.100 3.760 -2.488 1.00 33.52 H new ATOM 0 HG2 LYS A 148 21.102 3.614 -1.147 1.00 34.31 H new ATOM 0 HG3 LYS A 148 19.967 2.433 -0.526 1.00 34.31 H new ATOM 0 HD2 LYS A 148 22.215 1.434 -0.636 1.00 60.11 H new ATOM 0 HD3 LYS A 148 21.155 0.614 -1.765 1.00 60.11 H new ATOM 0 HE2 LYS A 148 22.096 2.032 -3.636 1.00 41.10 H new ATOM 0 HE3 LYS A 148 23.198 2.773 -2.492 1.00 41.10 H new ATOM 0 HZ1 LYS A 148 24.258 0.986 -3.698 1.00 50.23 H new ATOM 0 HZ2 LYS A 148 24.160 0.595 -2.049 1.00 50.23 H new ATOM 0 HZ3 LYS A 148 23.092 -0.123 -3.157 1.00 50.23 H new ATOM 2503 N LEU A 149 17.169 2.365 -1.244 1.00 3.52 N ATOM 2504 CA LEU A 149 15.889 2.884 -0.745 1.00 1.43 C ATOM 2505 C LEU A 149 15.684 4.292 -1.329 1.00 4.22 C ATOM 2506 O LEU A 149 16.011 5.303 -0.694 1.00 64.34 O ATOM 2507 CB LEU A 149 15.885 2.890 0.807 1.00 1.22 C ATOM 2508 CG LEU A 149 16.097 1.497 1.489 1.00 20.51 C ATOM 2509 CD1 LEU A 149 16.260 1.638 3.014 1.00 20.44 C ATOM 2510 CD2 LEU A 149 14.953 0.510 1.132 1.00 64.11 C ATOM 0 H LEU A 149 17.918 2.374 -0.551 1.00 3.52 H new ATOM 0 HA LEU A 149 15.062 2.248 -1.060 1.00 1.43 H new ATOM 0 HB2 LEU A 149 16.667 3.566 1.152 1.00 1.22 H new ATOM 0 HB3 LEU A 149 14.935 3.301 1.149 1.00 1.22 H new ATOM 0 HG LEU A 149 17.024 1.079 1.096 1.00 20.51 H new ATOM 0 HD11 LEU A 149 16.405 0.653 3.457 1.00 20.44 H new ATOM 0 HD12 LEU A 149 17.125 2.265 3.231 1.00 20.44 H new ATOM 0 HD13 LEU A 149 15.365 2.097 3.435 1.00 20.44 H new ATOM 0 HD21 LEU A 149 15.132 -0.447 1.622 1.00 64.11 H new ATOM 0 HD22 LEU A 149 14.001 0.919 1.471 1.00 64.11 H new ATOM 0 HD23 LEU A 149 14.922 0.364 0.052 1.00 64.11 H new ATOM 2522 N ALA A 150 15.211 4.332 -2.582 1.00 74.31 N ATOM 2523 CA ALA A 150 15.089 5.575 -3.352 1.00 11.02 C ATOM 2524 C ALA A 150 13.904 6.427 -2.843 1.00 5.53 C ATOM 2525 O ALA A 150 12.808 5.887 -2.637 1.00 33.21 O ATOM 2526 CB ALA A 150 14.937 5.254 -4.841 1.00 60.31 C ATOM 0 H ALA A 150 14.902 3.503 -3.089 1.00 74.31 H new ATOM 0 HA ALA A 150 15.997 6.162 -3.214 1.00 11.02 H new ATOM 0 HB1 ALA A 150 14.847 6.182 -5.406 1.00 60.31 H new ATOM 0 HB2 ALA A 150 15.812 4.703 -5.186 1.00 60.31 H new ATOM 0 HB3 ALA A 150 14.044 4.648 -4.993 1.00 60.31 H new ATOM 2532 N PRO A 151 14.097 7.777 -2.651 1.00 11.54 N ATOM 2533 CA PRO A 151 13.047 8.674 -2.096 1.00 53.41 C ATOM 2534 C PRO A 151 11.959 9.090 -3.122 1.00 3.50 C ATOM 2535 O PRO A 151 11.251 10.077 -2.902 1.00 3.34 O ATOM 2536 CB PRO A 151 13.877 9.887 -1.618 1.00 24.22 C ATOM 2537 CG PRO A 151 14.999 9.974 -2.604 1.00 64.52 C ATOM 2538 CD PRO A 151 15.361 8.535 -2.927 1.00 20.50 C ATOM 0 HA PRO A 151 12.463 8.188 -1.314 1.00 53.41 H new ATOM 0 HB2 PRO A 151 13.281 10.800 -1.611 1.00 24.22 H new ATOM 0 HB3 PRO A 151 14.248 9.741 -0.604 1.00 24.22 H new ATOM 0 HG2 PRO A 151 14.694 10.514 -3.501 1.00 64.52 H new ATOM 0 HG3 PRO A 151 15.851 10.509 -2.184 1.00 64.52 H new ATOM 0 HD2 PRO A 151 15.675 8.425 -3.965 1.00 20.50 H new ATOM 0 HD3 PRO A 151 16.184 8.180 -2.306 1.00 20.50 H new ATOM 2546 N GLY A 152 11.814 8.323 -4.215 1.00 55.02 N ATOM 2547 CA GLY A 152 10.764 8.555 -5.212 1.00 11.04 C ATOM 2548 C GLY A 152 11.267 9.302 -6.433 1.00 31.24 C ATOM 2549 O GLY A 152 12.397 9.805 -6.444 1.00 11.21 O ATOM 0 H GLY A 152 12.419 7.530 -4.429 1.00 55.02 H new ATOM 0 HA2 GLY A 152 10.347 7.597 -5.524 1.00 11.04 H new ATOM 0 HA3 GLY A 152 9.953 9.121 -4.754 1.00 11.04 H new ATOM 2553 N CYS A 153 10.412 9.381 -7.459 1.00 44.44 N ATOM 2554 CA CYS A 153 10.725 10.047 -8.736 1.00 52.34 C ATOM 2555 C CYS A 153 9.501 10.815 -9.272 1.00 2.24 C ATOM 2556 O CYS A 153 9.644 11.852 -9.931 1.00 12.44 O ATOM 2557 CB CYS A 153 11.199 8.987 -9.750 1.00 61.11 C ATOM 2558 SG CYS A 153 10.061 7.578 -9.931 1.00 14.32 S ATOM 0 H CYS A 153 9.474 8.982 -7.430 1.00 44.44 H new ATOM 0 HA CYS A 153 11.520 10.776 -8.578 1.00 52.34 H new ATOM 0 HB2 CYS A 153 11.331 9.462 -10.722 1.00 61.11 H new ATOM 0 HB3 CYS A 153 12.176 8.615 -9.442 1.00 61.11 H new ATOM 0 HG CYS A 153 10.236 6.750 -8.944 1.00 14.32 H new ATOM 2563 N GLU A 154 8.300 10.294 -8.986 1.00 35.32 N ATOM 2564 CA GLU A 154 7.019 10.937 -9.340 1.00 44.32 C ATOM 2565 C GLU A 154 6.463 11.616 -8.089 1.00 63.43 C ATOM 2566 O GLU A 154 6.561 11.043 -7.011 1.00 12.31 O ATOM 2567 CB GLU A 154 6.041 9.856 -9.843 1.00 13.45 C ATOM 2568 CG GLU A 154 4.637 10.349 -10.240 1.00 3.24 C ATOM 2569 CD GLU A 154 4.633 11.288 -11.449 1.00 33.13 C ATOM 2570 OE1 GLU A 154 4.533 10.799 -12.590 1.00 1.35 O ATOM 2571 OE2 GLU A 154 4.722 12.518 -11.275 1.00 64.41 O ATOM 0 H GLU A 154 8.185 9.406 -8.498 1.00 35.32 H new ATOM 0 HA GLU A 154 7.159 11.680 -10.126 1.00 44.32 H new ATOM 0 HB2 GLU A 154 6.489 9.362 -10.706 1.00 13.45 H new ATOM 0 HB3 GLU A 154 5.933 9.101 -9.064 1.00 13.45 H new ATOM 0 HG2 GLU A 154 4.007 9.487 -10.459 1.00 3.24 H new ATOM 0 HG3 GLU A 154 4.189 10.864 -9.390 1.00 3.24 H new ATOM 2578 N LYS A 155 5.866 12.818 -8.214 1.00 62.41 N ATOM 2579 CA LYS A 155 5.407 13.578 -7.034 1.00 73.30 C ATOM 2580 C LYS A 155 4.090 12.986 -6.475 1.00 41.01 C ATOM 2581 O LYS A 155 3.197 12.572 -7.217 1.00 63.14 O ATOM 2582 CB LYS A 155 5.288 15.114 -7.310 1.00 15.22 C ATOM 2583 CG LYS A 155 3.989 15.615 -7.988 1.00 30.43 C ATOM 2584 CD LYS A 155 3.806 15.088 -9.417 1.00 13.35 C ATOM 2585 CE LYS A 155 2.472 15.523 -10.034 1.00 23.22 C ATOM 2586 NZ LYS A 155 1.304 15.057 -9.227 1.00 52.11 N ATOM 0 H LYS A 155 5.692 13.279 -9.107 1.00 62.41 H new ATOM 0 HA LYS A 155 6.175 13.473 -6.268 1.00 73.30 H new ATOM 0 HB2 LYS A 155 5.396 15.637 -6.360 1.00 15.22 H new ATOM 0 HB3 LYS A 155 6.131 15.411 -7.934 1.00 15.22 H new ATOM 0 HG2 LYS A 155 3.133 15.313 -7.385 1.00 30.43 H new ATOM 0 HG3 LYS A 155 3.996 16.705 -8.008 1.00 30.43 H new ATOM 0 HD2 LYS A 155 4.625 15.445 -10.041 1.00 13.35 H new ATOM 0 HD3 LYS A 155 3.862 13.999 -9.410 1.00 13.35 H new ATOM 0 HE2 LYS A 155 2.447 16.610 -10.114 1.00 23.22 H new ATOM 0 HE3 LYS A 155 2.394 15.127 -11.046 1.00 23.22 H new ATOM 0 HZ1 LYS A 155 0.422 15.283 -9.730 1.00 52.11 H new ATOM 0 HZ2 LYS A 155 1.368 14.029 -9.085 1.00 52.11 H new ATOM 0 HZ3 LYS A 155 1.308 15.534 -8.303 1.00 52.11 H new ATOM 2600 N TYR A 156 4.022 12.963 -5.157 1.00 33.51 N ATOM 2601 CA TYR A 156 2.958 12.343 -4.354 1.00 71.41 C ATOM 2602 C TYR A 156 1.999 13.430 -3.854 1.00 72.35 C ATOM 2603 O TYR A 156 2.427 14.343 -3.134 1.00 11.40 O ATOM 2604 CB TYR A 156 3.650 11.595 -3.175 1.00 22.22 C ATOM 2605 CG TYR A 156 2.735 11.063 -2.065 1.00 54.51 C ATOM 2606 CD1 TYR A 156 1.804 10.065 -2.321 1.00 41.03 C ATOM 2607 CD2 TYR A 156 2.823 11.549 -0.749 1.00 34.20 C ATOM 2608 CE1 TYR A 156 0.993 9.573 -1.322 1.00 32.41 C ATOM 2609 CE2 TYR A 156 2.014 11.049 0.253 1.00 31.53 C ATOM 2610 CZ TYR A 156 1.102 10.063 -0.040 1.00 55.21 C ATOM 2611 OH TYR A 156 0.299 9.549 0.956 1.00 64.52 O ATOM 0 H TYR A 156 4.741 13.396 -4.577 1.00 33.51 H new ATOM 0 HA TYR A 156 2.368 11.636 -4.937 1.00 71.41 H new ATOM 0 HB2 TYR A 156 4.209 10.755 -3.587 1.00 22.22 H new ATOM 0 HB3 TYR A 156 4.376 12.271 -2.723 1.00 22.22 H new ATOM 0 HD1 TYR A 156 1.714 9.667 -3.321 1.00 41.03 H new ATOM 0 HD2 TYR A 156 3.535 12.327 -0.517 1.00 34.20 H new ATOM 0 HE1 TYR A 156 0.271 8.802 -1.545 1.00 32.41 H new ATOM 0 HE2 TYR A 156 2.097 11.430 1.260 1.00 31.53 H new ATOM 0 HH TYR A 156 -0.165 8.753 0.624 1.00 64.52 H new ATOM 2621 N ASN A 157 0.709 13.340 -4.240 1.00 25.20 N ATOM 2622 CA ASN A 157 -0.302 14.356 -3.888 1.00 43.30 C ATOM 2623 C ASN A 157 -0.930 14.016 -2.529 1.00 50.34 C ATOM 2624 O ASN A 157 -1.893 13.239 -2.453 1.00 14.14 O ATOM 2625 CB ASN A 157 -1.411 14.468 -4.975 1.00 51.34 C ATOM 2626 CG ASN A 157 -0.894 14.789 -6.376 1.00 62.41 C ATOM 2627 OD1 ASN A 157 0.191 15.339 -6.559 1.00 41.30 O ATOM 2628 ND2 ASN A 157 -1.692 14.477 -7.383 1.00 31.31 N ATOM 0 H ASN A 157 0.343 12.569 -4.799 1.00 25.20 H new ATOM 0 HA ASN A 157 0.201 15.321 -3.829 1.00 43.30 H new ATOM 0 HB2 ASN A 157 -1.963 13.529 -5.011 1.00 51.34 H new ATOM 0 HB3 ASN A 157 -2.118 15.242 -4.676 1.00 51.34 H new ATOM 0 HD21 ASN A 157 -1.413 14.692 -8.340 1.00 31.31 H new ATOM 0 HD22 ASN A 157 -2.586 14.021 -7.203 1.00 31.31 H new ATOM 2635 N LEU A 158 -0.348 14.563 -1.454 1.00 50.15 N ATOM 2636 CA LEU A 158 -0.878 14.398 -0.093 1.00 24.24 C ATOM 2637 C LEU A 158 -1.927 15.483 0.202 1.00 13.04 C ATOM 2638 O LEU A 158 -2.951 15.214 0.828 1.00 0.24 O ATOM 2639 CB LEU A 158 0.262 14.454 0.951 1.00 63.42 C ATOM 2640 CG LEU A 158 -0.156 14.108 2.418 1.00 24.34 C ATOM 2641 CD1 LEU A 158 -0.626 12.640 2.538 1.00 21.35 C ATOM 2642 CD2 LEU A 158 0.985 14.414 3.394 1.00 30.01 C ATOM 0 H LEU A 158 0.499 15.129 -1.502 1.00 50.15 H new ATOM 0 HA LEU A 158 -1.354 13.420 -0.025 1.00 24.24 H new ATOM 0 HB2 LEU A 158 1.048 13.765 0.643 1.00 63.42 H new ATOM 0 HB3 LEU A 158 0.693 15.455 0.940 1.00 63.42 H new ATOM 0 HG LEU A 158 -1.003 14.740 2.685 1.00 24.34 H new ATOM 0 HD11 LEU A 158 -0.909 12.432 3.570 1.00 21.35 H new ATOM 0 HD12 LEU A 158 -1.485 12.478 1.886 1.00 21.35 H new ATOM 0 HD13 LEU A 158 0.184 11.973 2.243 1.00 21.35 H new ATOM 0 HD21 LEU A 158 0.673 14.166 4.408 1.00 30.01 H new ATOM 0 HD22 LEU A 158 1.860 13.821 3.128 1.00 30.01 H new ATOM 0 HD23 LEU A 158 1.235 15.474 3.340 1.00 30.01 H new ATOM 2654 N PHE A 159 -1.646 16.722 -0.243 1.00 32.01 N ATOM 2655 CA PHE A 159 -2.557 17.873 -0.088 1.00 34.32 C ATOM 2656 C PHE A 159 -3.044 18.320 -1.472 1.00 24.20 C ATOM 2657 O PHE A 159 -2.545 19.288 -2.054 1.00 33.13 O ATOM 2658 CB PHE A 159 -1.877 19.032 0.696 1.00 31.12 C ATOM 2659 CG PHE A 159 -1.636 18.702 2.169 1.00 63.40 C ATOM 2660 CD1 PHE A 159 -2.618 18.970 3.128 1.00 12.31 C ATOM 2661 CD2 PHE A 159 -0.447 18.110 2.593 1.00 2.51 C ATOM 2662 CE1 PHE A 159 -2.413 18.657 4.457 1.00 13.20 C ATOM 2663 CE2 PHE A 159 -0.247 17.797 3.927 1.00 43.23 C ATOM 2664 CZ PHE A 159 -1.228 18.072 4.856 1.00 1.31 C ATOM 0 H PHE A 159 -0.776 16.954 -0.723 1.00 32.01 H new ATOM 0 HA PHE A 159 -3.422 17.572 0.503 1.00 34.32 H new ATOM 0 HB2 PHE A 159 -0.925 19.272 0.223 1.00 31.12 H new ATOM 0 HB3 PHE A 159 -2.500 19.923 0.627 1.00 31.12 H new ATOM 0 HD1 PHE A 159 -3.548 19.427 2.825 1.00 12.31 H new ATOM 0 HD2 PHE A 159 0.327 17.893 1.872 1.00 2.51 H new ATOM 0 HE1 PHE A 159 -3.181 18.870 5.186 1.00 13.20 H new ATOM 0 HE2 PHE A 159 0.679 17.337 4.240 1.00 43.23 H new ATOM 0 HZ PHE A 159 -1.069 17.830 5.896 1.00 1.31 H new