USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1148 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 75 TYR OH : rot 96:sc= 2.18 USER MOD Set 1.2: A 159 THR OG1 : rot 6:sc= 1.22 USER MOD Set 2.1: A 27 GLN : amide:sc= 0.533 K(o=-3.7,f=-4.7) USER MOD Set 2.2: A 163 ASN :FLIP amide:sc= -4.21! C(o=-4.7!,f=-3.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.783 K(o=0.78,f=-1.5) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.153 F(o=-0.99,f=-0.15) USER MOD Single : A 35 MET CE :methyl -135:sc= -1.7 (180deg=-3.13!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 70:sc= 0.483 USER MOD Single : A 41 MET CE :methyl -128:sc= -1.46 (180deg=-2.61!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.428 K(o=-0.43,f=-1.7) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= -0.014 (180deg=-0.131) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= 1.08 (180deg=0.86) USER MOD Single : A 85 ASN : amide:sc= 1.89 K(o=1.9,f=-7.7!) USER MOD Single : A 88 CYS SG : rot -29:sc= 0.53 USER MOD Single : A 95 HIS : no HD1:sc= -0.829 X(o=-0.83,f=-0.34) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0436 (180deg=-0.324) USER MOD Single : A 98 MET CE :methyl 170:sc= -0.271 (180deg=-0.662) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.21) USER MOD Single : A 108 SER OG : rot 67:sc= 1.3 USER MOD Single : A 109 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-4.5!) USER MOD Single : A 110 GLN :FLIP amide:sc= -0.168 F(o=-0.96,f=-0.17) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.233 K(o=-0.23,f=-0.86) USER MOD Single : A 115 THR OG1 : rot -80:sc= 0.632 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HE2:sc= 0.423 K(o=0.42,f=-2.1!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 122 CYS SG : rot 6:sc= -1.83! USER MOD Single : A 123 SER OG : rot -41:sc= 1.18 USER MOD Single : A 125 SER OG : rot 81:sc= 1.1 USER MOD Single : A 127 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.45) USER MOD Single : A 146 MET CE :methyl -151:sc= -0.336 (180deg=-1.18) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 THR OG1 : rot -85:sc= 0.758 USER MOD Single : A 156 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00624) USER MOD Single : A 157 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.16) USER MOD Single : A 160 THR OG1 : rot 68:sc= 1.12 USER MOD Single : A 161 THR OG1 : rot 72:sc= 0.0169 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 ASN : amide:sc= -0.734! X(o=-0.73!,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 215 N ARG A 14 -0.906 11.740 13.738 1.00 53.31 N ATOM 216 CA ARG A 14 0.503 11.438 14.042 1.00 40.41 C ATOM 217 C ARG A 14 0.627 10.430 15.194 1.00 42.04 C ATOM 218 O ARG A 14 -0.309 10.236 15.970 1.00 3.50 O ATOM 219 CB ARG A 14 1.274 12.727 14.373 1.00 20.22 C ATOM 220 CG ARG A 14 0.833 13.410 15.666 1.00 61.22 C ATOM 221 CD ARG A 14 1.574 14.724 15.899 1.00 44.52 C ATOM 222 NE ARG A 14 3.027 14.551 15.932 1.00 52.32 N ATOM 223 CZ ARG A 14 3.862 15.446 16.393 1.00 41.14 C ATOM 224 NH1 ARG A 14 3.431 16.565 16.884 1.00 12.43 N ATOM 225 NH2 ARG A 14 5.134 15.211 16.367 1.00 33.34 N ATOM 0 HA ARG A 14 0.942 10.985 13.153 1.00 40.41 H new ATOM 0 HB2 ARG A 14 2.336 12.493 14.444 1.00 20.22 H new ATOM 0 HB3 ARG A 14 1.157 13.429 13.547 1.00 20.22 H new ATOM 0 HG2 ARG A 14 -0.240 13.600 15.628 1.00 61.22 H new ATOM 0 HG3 ARG A 14 1.008 12.740 16.508 1.00 61.22 H new ATOM 0 HD2 ARG A 14 1.313 15.429 15.110 1.00 44.52 H new ATOM 0 HD3 ARG A 14 1.242 15.162 16.840 1.00 44.52 H new ATOM 0 HE ARG A 14 3.413 13.678 15.573 1.00 52.32 H new ATOM 0 HH11 ARG A 14 2.430 16.757 16.914 1.00 12.43 H new ATOM 0 HH12 ARG A 14 4.093 17.254 17.240 1.00 12.43 H new ATOM 0 HH21 ARG A 14 5.482 14.330 15.988 1.00 33.34 H new ATOM 0 HH22 ARG A 14 5.789 15.906 16.725 1.00 33.34 H new ATOM 239 N LEU A 15 1.797 9.801 15.302 1.00 41.22 N ATOM 240 CA LEU A 15 2.034 8.751 16.302 1.00 54.22 C ATOM 241 C LEU A 15 3.269 9.043 17.176 1.00 62.50 C ATOM 242 O LEU A 15 4.196 9.738 16.758 1.00 32.21 O ATOM 243 CB LEU A 15 2.164 7.383 15.600 1.00 51.52 C ATOM 244 CG LEU A 15 2.997 7.357 14.295 1.00 40.43 C ATOM 245 CD1 LEU A 15 4.476 7.623 14.555 1.00 33.25 C ATOM 246 CD2 LEU A 15 2.817 6.027 13.570 1.00 23.30 C ATOM 0 H LEU A 15 2.602 9.999 14.707 1.00 41.22 H new ATOM 0 HA LEU A 15 1.177 8.730 16.975 1.00 54.22 H new ATOM 0 HB2 LEU A 15 2.608 6.679 16.303 1.00 51.52 H new ATOM 0 HB3 LEU A 15 1.162 7.018 15.373 1.00 51.52 H new ATOM 0 HG LEU A 15 2.626 8.161 13.659 1.00 40.43 H new ATOM 0 HD11 LEU A 15 5.022 7.595 13.612 1.00 33.25 H new ATOM 0 HD12 LEU A 15 4.594 8.605 15.014 1.00 33.25 H new ATOM 0 HD13 LEU A 15 4.871 6.859 15.225 1.00 33.25 H new ATOM 0 HD21 LEU A 15 3.410 6.028 12.655 1.00 23.30 H new ATOM 0 HD22 LEU A 15 3.147 5.213 14.216 1.00 23.30 H new ATOM 0 HD23 LEU A 15 1.765 5.888 13.320 1.00 23.30 H new ATOM 258 N PHE A 16 3.261 8.515 18.401 1.00 32.33 N ATOM 259 CA PHE A 16 4.387 8.672 19.336 1.00 33.52 C ATOM 260 C PHE A 16 4.817 7.312 19.908 1.00 71.43 C ATOM 261 O PHE A 16 4.031 6.633 20.570 1.00 30.54 O ATOM 262 CB PHE A 16 4.012 9.618 20.486 1.00 74.02 C ATOM 263 CG PHE A 16 3.730 11.032 20.046 1.00 73.11 C ATOM 264 CD1 PHE A 16 4.766 11.940 19.883 1.00 1.44 C ATOM 265 CD2 PHE A 16 2.431 11.453 19.797 1.00 62.23 C ATOM 266 CE1 PHE A 16 4.513 13.237 19.478 1.00 74.35 C ATOM 267 CE2 PHE A 16 2.174 12.748 19.394 1.00 64.34 C ATOM 268 CZ PHE A 16 3.215 13.642 19.237 1.00 41.41 C ATOM 0 H PHE A 16 2.484 7.971 18.775 1.00 32.33 H new ATOM 0 HA PHE A 16 5.221 9.101 18.781 1.00 33.52 H new ATOM 0 HB2 PHE A 16 3.133 9.224 20.995 1.00 74.02 H new ATOM 0 HB3 PHE A 16 4.824 9.629 21.214 1.00 74.02 H new ATOM 0 HD1 PHE A 16 5.783 11.630 20.075 1.00 1.44 H new ATOM 0 HD2 PHE A 16 1.612 10.760 19.920 1.00 62.23 H new ATOM 0 HE1 PHE A 16 5.329 13.933 19.350 1.00 74.35 H new ATOM 0 HE2 PHE A 16 1.159 13.062 19.201 1.00 64.34 H new ATOM 0 HZ PHE A 16 3.014 14.657 18.926 1.00 41.41 H new ATOM 278 N LEU A 17 6.063 6.919 19.652 1.00 21.12 N ATOM 279 CA LEU A 17 6.585 5.632 20.130 1.00 23.13 C ATOM 280 C LEU A 17 8.119 5.595 20.062 1.00 1.42 C ATOM 281 O LEU A 17 8.744 6.453 19.433 1.00 73.32 O ATOM 282 CB LEU A 17 5.990 4.457 19.321 1.00 62.21 C ATOM 283 CG LEU A 17 6.457 4.322 17.853 1.00 42.31 C ATOM 284 CD1 LEU A 17 5.866 3.067 17.209 1.00 32.45 C ATOM 285 CD2 LEU A 17 6.087 5.559 17.035 1.00 11.20 C ATOM 0 H LEU A 17 6.733 7.471 19.116 1.00 21.12 H new ATOM 0 HA LEU A 17 6.284 5.525 21.172 1.00 23.13 H new ATOM 0 HB2 LEU A 17 6.229 3.529 19.841 1.00 62.21 H new ATOM 0 HB3 LEU A 17 4.904 4.555 19.326 1.00 62.21 H new ATOM 0 HG LEU A 17 7.543 4.233 17.861 1.00 42.31 H new ATOM 0 HD11 LEU A 17 6.208 2.992 16.177 1.00 32.45 H new ATOM 0 HD12 LEU A 17 6.190 2.186 17.763 1.00 32.45 H new ATOM 0 HD13 LEU A 17 4.778 3.127 17.227 1.00 32.45 H new ATOM 0 HD21 LEU A 17 6.429 5.432 16.008 1.00 11.20 H new ATOM 0 HD22 LEU A 17 5.005 5.690 17.043 1.00 11.20 H new ATOM 0 HD23 LEU A 17 6.562 6.438 17.470 1.00 11.20 H new ATOM 297 N ASP A 18 8.718 4.607 20.719 1.00 14.14 N ATOM 298 CA ASP A 18 10.172 4.446 20.713 1.00 33.34 C ATOM 299 C ASP A 18 10.700 4.122 19.301 1.00 2.22 C ATOM 300 O ASP A 18 10.146 3.267 18.604 1.00 52.11 O ATOM 301 CB ASP A 18 10.572 3.339 21.691 1.00 4.01 C ATOM 302 CG ASP A 18 10.134 3.643 23.111 1.00 61.32 C ATOM 303 OD1 ASP A 18 8.940 3.446 23.429 1.00 64.03 O ATOM 304 OD2 ASP A 18 10.979 4.072 23.921 1.00 5.32 O ATOM 0 H ASP A 18 8.220 3.903 21.264 1.00 14.14 H new ATOM 0 HA ASP A 18 10.619 5.390 21.025 1.00 33.34 H new ATOM 0 HB2 ASP A 18 10.130 2.396 21.370 1.00 4.01 H new ATOM 0 HB3 ASP A 18 11.654 3.208 21.666 1.00 4.01 H new ATOM 309 N PRO A 19 11.797 4.784 18.871 1.00 23.24 N ATOM 310 CA PRO A 19 12.379 4.576 17.530 1.00 42.42 C ATOM 311 C PRO A 19 12.762 3.107 17.288 1.00 73.52 C ATOM 312 O PRO A 19 12.517 2.554 16.217 1.00 71.14 O ATOM 313 CB PRO A 19 13.627 5.483 17.532 1.00 3.32 C ATOM 314 CG PRO A 19 13.906 5.760 18.973 1.00 41.24 C ATOM 315 CD PRO A 19 12.563 5.771 19.652 1.00 63.12 C ATOM 0 HA PRO A 19 11.675 4.816 16.733 1.00 42.42 H new ATOM 0 HB2 PRO A 19 14.474 4.989 17.055 1.00 3.32 H new ATOM 0 HB3 PRO A 19 13.444 6.406 16.982 1.00 3.32 H new ATOM 0 HG2 PRO A 19 14.555 4.995 19.400 1.00 41.24 H new ATOM 0 HG3 PRO A 19 14.415 6.716 19.097 1.00 41.24 H new ATOM 0 HD2 PRO A 19 12.638 5.487 20.702 1.00 63.12 H new ATOM 0 HD3 PRO A 19 12.102 6.758 19.621 1.00 63.12 H new ATOM 323 N ASP A 20 13.339 2.478 18.312 1.00 41.21 N ATOM 324 CA ASP A 20 13.734 1.067 18.249 1.00 3.21 C ATOM 325 C ASP A 20 12.511 0.155 18.011 1.00 4.01 C ATOM 326 O ASP A 20 12.591 -0.849 17.298 1.00 21.13 O ATOM 327 CB ASP A 20 14.445 0.691 19.558 1.00 4.12 C ATOM 328 CG ASP A 20 15.044 -0.705 19.535 1.00 75.24 C ATOM 329 OD1 ASP A 20 16.123 -0.880 18.937 1.00 35.14 O ATOM 330 OD2 ASP A 20 14.438 -1.629 20.120 1.00 72.02 O ATOM 0 H ASP A 20 13.546 2.927 19.204 1.00 41.21 H new ATOM 0 HA ASP A 20 14.413 0.923 17.409 1.00 3.21 H new ATOM 0 HB2 ASP A 20 15.235 1.415 19.755 1.00 4.12 H new ATOM 0 HB3 ASP A 20 13.735 0.761 20.382 1.00 4.12 H new ATOM 335 N THR A 21 11.376 0.521 18.603 1.00 52.21 N ATOM 336 CA THR A 21 10.130 -0.247 18.456 1.00 64.21 C ATOM 337 C THR A 21 9.440 0.036 17.113 1.00 0.20 C ATOM 338 O THR A 21 8.889 -0.870 16.482 1.00 33.11 O ATOM 339 CB THR A 21 9.135 0.073 19.603 1.00 12.10 C ATOM 340 OG1 THR A 21 9.736 -0.206 20.879 1.00 61.22 O ATOM 341 CG2 THR A 21 7.845 -0.732 19.465 1.00 3.14 C ATOM 0 H THR A 21 11.288 1.348 19.193 1.00 52.21 H new ATOM 0 HA THR A 21 10.411 -1.299 18.497 1.00 64.21 H new ATOM 0 HB THR A 21 8.890 1.133 19.537 1.00 12.10 H new ATOM 0 HG1 THR A 21 9.098 0.002 21.593 1.00 61.22 H new ATOM 0 HG21 THR A 21 7.171 -0.483 20.285 1.00 3.14 H new ATOM 0 HG22 THR A 21 7.366 -0.492 18.516 1.00 3.14 H new ATOM 0 HG23 THR A 21 8.076 -1.797 19.496 1.00 3.14 H new ATOM 349 N ALA A 22 9.470 1.295 16.680 1.00 61.04 N ATOM 350 CA ALA A 22 8.823 1.703 15.426 1.00 62.40 C ATOM 351 C ALA A 22 9.341 0.894 14.226 1.00 34.20 C ATOM 352 O ALA A 22 8.593 0.611 13.287 1.00 32.14 O ATOM 353 CB ALA A 22 9.029 3.195 15.191 1.00 44.14 C ATOM 0 H ALA A 22 9.935 2.054 17.177 1.00 61.04 H new ATOM 0 HA ALA A 22 7.756 1.499 15.521 1.00 62.40 H new ATOM 0 HB1 ALA A 22 8.545 3.487 14.259 1.00 44.14 H new ATOM 0 HB2 ALA A 22 8.593 3.757 16.017 1.00 44.14 H new ATOM 0 HB3 ALA A 22 10.096 3.410 15.129 1.00 44.14 H new ATOM 359 N ILE A 23 10.620 0.522 14.273 1.00 2.50 N ATOM 360 CA ILE A 23 11.235 -0.302 13.223 1.00 53.35 C ATOM 361 C ILE A 23 10.446 -1.599 12.974 1.00 34.33 C ATOM 362 O ILE A 23 9.993 -1.850 11.855 1.00 74.53 O ATOM 363 CB ILE A 23 12.708 -0.642 13.576 1.00 50.21 C ATOM 364 CG1 ILE A 23 13.530 0.654 13.727 1.00 34.54 C ATOM 365 CG2 ILE A 23 13.328 -1.560 12.516 1.00 33.01 C ATOM 366 CD1 ILE A 23 14.980 0.431 14.110 1.00 3.02 C ATOM 0 H ILE A 23 11.256 0.778 15.029 1.00 2.50 H new ATOM 0 HA ILE A 23 11.214 0.287 12.306 1.00 53.35 H new ATOM 0 HB ILE A 23 12.721 -1.175 14.526 1.00 50.21 H new ATOM 0 HG12 ILE A 23 13.495 1.204 12.787 1.00 34.54 H new ATOM 0 HG13 ILE A 23 13.059 1.283 14.482 1.00 34.54 H new ATOM 0 HG21 ILE A 23 14.360 -1.783 12.787 1.00 33.01 H new ATOM 0 HG22 ILE A 23 12.759 -2.488 12.460 1.00 33.01 H new ATOM 0 HG23 ILE A 23 13.307 -1.062 11.546 1.00 33.01 H new ATOM 0 HD11 ILE A 23 15.486 1.393 14.195 1.00 3.02 H new ATOM 0 HD12 ILE A 23 15.028 -0.090 15.066 1.00 3.02 H new ATOM 0 HD13 ILE A 23 15.470 -0.170 13.344 1.00 3.02 H new ATOM 378 N GLU A 24 10.257 -2.414 14.017 1.00 52.20 N ATOM 379 CA GLU A 24 9.509 -3.670 13.869 1.00 53.01 C ATOM 380 C GLU A 24 8.046 -3.393 13.484 1.00 44.25 C ATOM 381 O GLU A 24 7.465 -4.107 12.669 1.00 53.25 O ATOM 382 CB GLU A 24 9.573 -4.517 15.156 1.00 13.51 C ATOM 383 CG GLU A 24 8.777 -3.956 16.331 1.00 42.13 C ATOM 384 CD GLU A 24 8.679 -4.932 17.494 1.00 63.32 C ATOM 385 OE1 GLU A 24 9.616 -4.983 18.312 1.00 11.33 O ATOM 386 OE2 GLU A 24 7.666 -5.661 17.583 1.00 21.22 O ATOM 0 H GLU A 24 10.604 -2.233 14.959 1.00 52.20 H new ATOM 0 HA GLU A 24 9.978 -4.239 13.066 1.00 53.01 H new ATOM 0 HB2 GLU A 24 9.207 -5.519 14.933 1.00 13.51 H new ATOM 0 HB3 GLU A 24 10.616 -4.618 15.457 1.00 13.51 H new ATOM 0 HG2 GLU A 24 9.246 -3.034 16.675 1.00 42.13 H new ATOM 0 HG3 GLU A 24 7.773 -3.697 15.994 1.00 42.13 H new ATOM 393 N ARG A 25 7.469 -2.333 14.055 1.00 23.30 N ATOM 394 CA ARG A 25 6.079 -1.946 13.773 1.00 4.23 C ATOM 395 C ARG A 25 5.854 -1.708 12.273 1.00 31.22 C ATOM 396 O ARG A 25 4.951 -2.285 11.663 1.00 13.53 O ATOM 397 CB ARG A 25 5.719 -0.672 14.555 1.00 71.11 C ATOM 398 CG ARG A 25 5.772 -0.825 16.075 1.00 73.13 C ATOM 399 CD ARG A 25 4.519 -1.491 16.640 1.00 2.12 C ATOM 400 NE ARG A 25 4.288 -2.831 16.096 1.00 5.35 N ATOM 401 CZ ARG A 25 4.849 -3.922 16.548 1.00 72.30 C ATOM 402 NH1 ARG A 25 5.652 -3.880 17.564 1.00 64.13 N ATOM 403 NH2 ARG A 25 4.585 -5.058 15.991 1.00 61.22 N ATOM 0 H ARG A 25 7.944 -1.722 14.720 1.00 23.30 H new ATOM 0 HA ARG A 25 5.435 -2.767 14.088 1.00 4.23 H new ATOM 0 HB2 ARG A 25 6.400 0.126 14.259 1.00 71.11 H new ATOM 0 HB3 ARG A 25 4.716 -0.357 14.269 1.00 71.11 H new ATOM 0 HG2 ARG A 25 6.647 -1.415 16.347 1.00 73.13 H new ATOM 0 HG3 ARG A 25 5.895 0.157 16.532 1.00 73.13 H new ATOM 0 HD2 ARG A 25 4.606 -1.555 17.725 1.00 2.12 H new ATOM 0 HD3 ARG A 25 3.653 -0.864 16.426 1.00 2.12 H new ATOM 0 HE ARG A 25 3.644 -2.919 15.310 1.00 5.35 H new ATOM 0 HH11 ARG A 25 5.852 -2.990 18.020 1.00 64.13 H new ATOM 0 HH12 ARG A 25 6.084 -4.737 17.908 1.00 64.13 H new ATOM 0 HH21 ARG A 25 3.941 -5.101 15.201 1.00 61.22 H new ATOM 0 HH22 ARG A 25 5.021 -5.911 16.341 1.00 61.22 H new ATOM 417 N LEU A 26 6.691 -0.859 11.687 1.00 32.43 N ATOM 418 CA LEU A 26 6.582 -0.517 10.267 1.00 2.01 C ATOM 419 C LEU A 26 6.893 -1.734 9.379 1.00 32.13 C ATOM 420 O LEU A 26 6.315 -1.897 8.302 1.00 23.34 O ATOM 421 CB LEU A 26 7.522 0.654 9.945 1.00 74.31 C ATOM 422 CG LEU A 26 7.372 1.258 8.540 1.00 25.12 C ATOM 423 CD1 LEU A 26 5.930 1.693 8.282 1.00 54.42 C ATOM 424 CD2 LEU A 26 8.321 2.440 8.365 1.00 2.41 C ATOM 0 H LEU A 26 7.456 -0.392 12.173 1.00 32.43 H new ATOM 0 HA LEU A 26 5.556 -0.214 10.056 1.00 2.01 H new ATOM 0 HB2 LEU A 26 7.356 1.442 10.679 1.00 74.31 H new ATOM 0 HB3 LEU A 26 8.551 0.315 10.068 1.00 74.31 H new ATOM 0 HG LEU A 26 7.631 0.489 7.812 1.00 25.12 H new ATOM 0 HD11 LEU A 26 5.851 2.117 7.281 1.00 54.42 H new ATOM 0 HD12 LEU A 26 5.269 0.830 8.363 1.00 54.42 H new ATOM 0 HD13 LEU A 26 5.639 2.443 9.017 1.00 54.42 H new ATOM 0 HD21 LEU A 26 8.203 2.857 7.365 1.00 2.41 H new ATOM 0 HD22 LEU A 26 8.090 3.205 9.106 1.00 2.41 H new ATOM 0 HD23 LEU A 26 9.349 2.104 8.499 1.00 2.41 H new ATOM 436 N GLN A 27 7.793 -2.596 9.851 1.00 44.14 N ATOM 437 CA GLN A 27 8.113 -3.846 9.151 1.00 63.32 C ATOM 438 C GLN A 27 6.879 -4.758 9.067 1.00 73.35 C ATOM 439 O GLN A 27 6.599 -5.349 8.025 1.00 31.13 O ATOM 440 CB GLN A 27 9.257 -4.576 9.869 1.00 22.31 C ATOM 441 CG GLN A 27 10.614 -3.889 9.733 1.00 22.04 C ATOM 442 CD GLN A 27 11.183 -3.976 8.324 1.00 11.15 C ATOM 443 OE1 GLN A 27 10.876 -4.894 7.570 1.00 3.13 O ATOM 444 NE2 GLN A 27 12.038 -3.040 7.964 1.00 45.42 N ATOM 0 H GLN A 27 8.315 -2.454 10.716 1.00 44.14 H new ATOM 0 HA GLN A 27 8.427 -3.598 8.137 1.00 63.32 H new ATOM 0 HB2 GLN A 27 9.010 -4.664 10.927 1.00 22.31 H new ATOM 0 HB3 GLN A 27 9.333 -5.589 9.474 1.00 22.31 H new ATOM 0 HG2 GLN A 27 10.515 -2.841 10.015 1.00 22.04 H new ATOM 0 HG3 GLN A 27 11.317 -4.342 10.432 1.00 22.04 H new ATOM 0 HE21 GLN A 27 12.274 -2.289 8.612 1.00 45.42 H new ATOM 0 HE22 GLN A 27 12.463 -3.067 7.037 1.00 45.42 H new ATOM 453 N ARG A 28 6.141 -4.851 10.173 1.00 32.45 N ATOM 454 CA ARG A 28 4.913 -5.656 10.234 1.00 23.41 C ATOM 455 C ARG A 28 3.902 -5.227 9.163 1.00 5.43 C ATOM 456 O ARG A 28 3.372 -6.056 8.425 1.00 51.53 O ATOM 457 CB ARG A 28 4.269 -5.532 11.622 1.00 31.04 C ATOM 458 CG ARG A 28 5.155 -6.009 12.766 1.00 42.00 C ATOM 459 CD ARG A 28 5.378 -7.517 12.728 1.00 74.12 C ATOM 460 NE ARG A 28 4.126 -8.264 12.842 1.00 34.52 N ATOM 461 CZ ARG A 28 4.062 -9.551 13.054 1.00 44.45 C ATOM 462 NH1 ARG A 28 5.140 -10.260 13.147 1.00 42.24 N ATOM 463 NH2 ARG A 28 2.913 -10.132 13.157 1.00 71.05 N ATOM 0 H ARG A 28 6.371 -4.377 11.046 1.00 32.45 H new ATOM 0 HA ARG A 28 5.190 -6.693 10.046 1.00 23.41 H new ATOM 0 HB2 ARG A 28 4.002 -4.489 11.794 1.00 31.04 H new ATOM 0 HB3 ARG A 28 3.342 -6.105 11.632 1.00 31.04 H new ATOM 0 HG2 ARG A 28 6.117 -5.499 12.716 1.00 42.00 H new ATOM 0 HG3 ARG A 28 4.698 -5.734 13.717 1.00 42.00 H new ATOM 0 HD2 ARG A 28 5.876 -7.786 11.796 1.00 74.12 H new ATOM 0 HD3 ARG A 28 6.046 -7.804 13.540 1.00 74.12 H new ATOM 0 HE ARG A 28 3.250 -7.749 12.750 1.00 34.52 H new ATOM 0 HH11 ARG A 28 6.053 -9.815 13.055 1.00 42.24 H new ATOM 0 HH12 ARG A 28 5.077 -11.264 13.313 1.00 42.24 H new ATOM 0 HH21 ARG A 28 2.056 -9.586 13.073 1.00 71.05 H new ATOM 0 HH22 ARG A 28 2.863 -11.137 13.323 1.00 71.05 H new ATOM 477 N LEU A 29 3.645 -3.925 9.085 1.00 64.54 N ATOM 478 CA LEU A 29 2.683 -3.378 8.126 1.00 13.45 C ATOM 479 C LEU A 29 3.150 -3.571 6.674 1.00 43.32 C ATOM 480 O LEU A 29 2.337 -3.816 5.777 1.00 33.31 O ATOM 481 CB LEU A 29 2.448 -1.890 8.414 1.00 5.41 C ATOM 482 CG LEU A 29 1.835 -1.582 9.789 1.00 72.40 C ATOM 483 CD1 LEU A 29 1.639 -0.081 9.968 1.00 52.33 C ATOM 484 CD2 LEU A 29 0.515 -2.329 9.975 1.00 21.23 C ATOM 0 H LEU A 29 4.091 -3.224 9.676 1.00 64.54 H new ATOM 0 HA LEU A 29 1.747 -3.924 8.244 1.00 13.45 H new ATOM 0 HB2 LEU A 29 3.400 -1.365 8.332 1.00 5.41 H new ATOM 0 HB3 LEU A 29 1.793 -1.485 7.642 1.00 5.41 H new ATOM 0 HG LEU A 29 2.529 -1.927 10.555 1.00 72.40 H new ATOM 0 HD11 LEU A 29 1.204 0.115 10.948 1.00 52.33 H new ATOM 0 HD12 LEU A 29 2.602 0.423 9.891 1.00 52.33 H new ATOM 0 HD13 LEU A 29 0.970 0.294 9.193 1.00 52.33 H new ATOM 0 HD21 LEU A 29 0.100 -2.095 10.955 1.00 21.23 H new ATOM 0 HD22 LEU A 29 -0.189 -2.023 9.201 1.00 21.23 H new ATOM 0 HD23 LEU A 29 0.691 -3.402 9.902 1.00 21.23 H new ATOM 496 N GLN A 30 4.457 -3.455 6.447 1.00 34.42 N ATOM 497 CA GLN A 30 5.035 -3.698 5.120 1.00 10.40 C ATOM 498 C GLN A 30 4.842 -5.174 4.717 1.00 22.33 C ATOM 499 O GLN A 30 4.393 -5.472 3.609 1.00 54.23 O ATOM 500 CB GLN A 30 6.528 -3.303 5.113 1.00 54.31 C ATOM 501 CG GLN A 30 7.170 -3.233 3.723 1.00 15.34 C ATOM 502 CD GLN A 30 7.580 -4.591 3.169 1.00 22.44 C ATOM 503 OE1 GLN A 30 7.929 -5.500 3.916 1.00 34.50 O ATOM 504 NE2 GLN A 30 7.555 -4.734 1.859 1.00 61.14 N ATOM 0 H GLN A 30 5.137 -3.195 7.161 1.00 34.42 H new ATOM 0 HA GLN A 30 4.519 -3.081 4.385 1.00 10.40 H new ATOM 0 HB2 GLN A 30 6.634 -2.331 5.596 1.00 54.31 H new ATOM 0 HB3 GLN A 30 7.082 -4.021 5.717 1.00 54.31 H new ATOM 0 HG2 GLN A 30 6.469 -2.765 3.032 1.00 15.34 H new ATOM 0 HG3 GLN A 30 8.048 -2.589 3.770 1.00 15.34 H new ATOM 0 HE21 GLN A 30 7.260 -3.958 1.267 1.00 61.14 H new ATOM 0 HE22 GLN A 30 7.831 -5.621 1.437 1.00 61.14 H new ATOM 513 N GLN A 31 5.155 -6.089 5.639 1.00 41.22 N ATOM 514 CA GLN A 31 4.928 -7.525 5.416 1.00 31.51 C ATOM 515 C GLN A 31 3.432 -7.832 5.225 1.00 43.14 C ATOM 516 O GLN A 31 3.057 -8.671 4.403 1.00 54.11 O ATOM 517 CB GLN A 31 5.479 -8.358 6.588 1.00 4.12 C ATOM 518 CG GLN A 31 6.987 -8.239 6.795 1.00 13.43 C ATOM 519 CD GLN A 31 7.801 -8.601 5.560 1.00 33.10 C ATOM 520 OE1 GLN A 31 7.289 -9.496 4.731 1.00 3.50 O flip ATOM 521 NE2 GLN A 31 8.896 -8.086 5.359 1.00 44.11 N flip ATOM 0 H GLN A 31 5.565 -5.865 6.545 1.00 41.22 H new ATOM 0 HA GLN A 31 5.460 -7.798 4.504 1.00 31.51 H new ATOM 0 HB2 GLN A 31 4.974 -8.052 7.504 1.00 4.12 H new ATOM 0 HB3 GLN A 31 5.229 -9.406 6.421 1.00 4.12 H new ATOM 0 HG2 GLN A 31 7.225 -7.217 7.091 1.00 13.43 H new ATOM 0 HG3 GLN A 31 7.285 -8.887 7.619 1.00 13.43 H new ATOM 0 HE21 GLN A 31 9.265 -7.399 6.016 1.00 44.11 H new ATOM 0 HE22 GLN A 31 9.438 -8.345 4.535 1.00 44.11 H new ATOM 530 N ALA A 32 2.585 -7.151 5.996 1.00 63.32 N ATOM 531 CA ALA A 32 1.129 -7.304 5.878 1.00 70.30 C ATOM 532 C ALA A 32 0.646 -6.900 4.480 1.00 42.34 C ATOM 533 O ALA A 32 -0.183 -7.583 3.868 1.00 75.10 O ATOM 534 CB ALA A 32 0.419 -6.483 6.951 1.00 51.41 C ATOM 0 H ALA A 32 2.879 -6.486 6.711 1.00 63.32 H new ATOM 0 HA ALA A 32 0.884 -8.356 6.027 1.00 70.30 H new ATOM 0 HB1 ALA A 32 -0.659 -6.607 6.850 1.00 51.41 H new ATOM 0 HB2 ALA A 32 0.733 -6.824 7.937 1.00 51.41 H new ATOM 0 HB3 ALA A 32 0.676 -5.430 6.833 1.00 51.41 H new ATOM 540 N LEU A 33 1.183 -5.792 3.973 1.00 31.02 N ATOM 541 CA LEU A 33 0.895 -5.349 2.608 1.00 74.10 C ATOM 542 C LEU A 33 1.285 -6.435 1.593 1.00 61.02 C ATOM 543 O LEU A 33 0.541 -6.714 0.648 1.00 34.13 O ATOM 544 CB LEU A 33 1.638 -4.038 2.309 1.00 0.10 C ATOM 545 CG LEU A 33 1.450 -3.470 0.891 1.00 13.05 C ATOM 546 CD1 LEU A 33 -0.028 -3.230 0.585 1.00 1.33 C ATOM 547 CD2 LEU A 33 2.250 -2.180 0.722 1.00 3.43 C ATOM 0 H LEU A 33 1.820 -5.183 4.486 1.00 31.02 H new ATOM 0 HA LEU A 33 -0.177 -5.170 2.519 1.00 74.10 H new ATOM 0 HB2 LEU A 33 1.312 -3.286 3.027 1.00 0.10 H new ATOM 0 HB3 LEU A 33 2.703 -4.199 2.477 1.00 0.10 H new ATOM 0 HG LEU A 33 1.824 -4.207 0.180 1.00 13.05 H new ATOM 0 HD11 LEU A 33 -0.130 -2.829 -0.423 1.00 1.33 H new ATOM 0 HD12 LEU A 33 -0.572 -4.172 0.658 1.00 1.33 H new ATOM 0 HD13 LEU A 33 -0.437 -2.518 1.302 1.00 1.33 H new ATOM 0 HD21 LEU A 33 2.106 -1.792 -0.286 1.00 3.43 H new ATOM 0 HD22 LEU A 33 1.908 -1.442 1.447 1.00 3.43 H new ATOM 0 HD23 LEU A 33 3.308 -2.384 0.884 1.00 3.43 H new ATOM 559 N GLU A 34 2.448 -7.059 1.808 1.00 64.12 N ATOM 560 CA GLU A 34 2.898 -8.170 0.961 1.00 14.04 C ATOM 561 C GLU A 34 1.908 -9.350 1.004 1.00 62.21 C ATOM 562 O GLU A 34 1.730 -10.048 0.007 1.00 23.23 O ATOM 563 CB GLU A 34 4.303 -8.644 1.371 1.00 62.20 C ATOM 564 CG GLU A 34 5.394 -7.582 1.209 1.00 50.43 C ATOM 565 CD GLU A 34 6.809 -8.141 1.329 1.00 2.23 C ATOM 566 OE1 GLU A 34 6.981 -9.251 1.878 1.00 14.22 O ATOM 567 OE2 GLU A 34 7.758 -7.470 0.861 1.00 64.44 O ATOM 0 H GLU A 34 3.094 -6.815 2.559 1.00 64.12 H new ATOM 0 HA GLU A 34 2.940 -7.798 -0.063 1.00 14.04 H new ATOM 0 HB2 GLU A 34 4.276 -8.966 2.412 1.00 62.20 H new ATOM 0 HB3 GLU A 34 4.569 -9.516 0.774 1.00 62.20 H new ATOM 0 HG2 GLU A 34 5.282 -7.103 0.236 1.00 50.43 H new ATOM 0 HG3 GLU A 34 5.252 -6.808 1.964 1.00 50.43 H new ATOM 574 N MET A 35 1.262 -9.566 2.157 1.00 55.32 N ATOM 575 CA MET A 35 0.229 -10.610 2.276 1.00 42.30 C ATOM 576 C MET A 35 -0.937 -10.339 1.313 1.00 15.21 C ATOM 577 O MET A 35 -1.360 -11.222 0.561 1.00 22.02 O ATOM 578 CB MET A 35 -0.323 -10.698 3.706 1.00 74.53 C ATOM 579 CG MET A 35 0.712 -11.008 4.779 1.00 13.33 C ATOM 580 SD MET A 35 -0.052 -11.401 6.369 1.00 12.43 S ATOM 581 CE MET A 35 -1.194 -10.030 6.569 1.00 42.51 C ATOM 0 H MET A 35 1.432 -9.039 3.014 1.00 55.32 H new ATOM 0 HA MET A 35 0.706 -11.556 2.020 1.00 42.30 H new ATOM 0 HB2 MET A 35 -0.806 -9.752 3.951 1.00 74.53 H new ATOM 0 HB3 MET A 35 -1.095 -11.467 3.734 1.00 74.53 H new ATOM 0 HG2 MET A 35 1.328 -11.847 4.456 1.00 13.33 H new ATOM 0 HG3 MET A 35 1.377 -10.152 4.899 1.00 13.33 H new ATOM 0 HE1 MET A 35 -1.128 -9.647 7.587 1.00 42.51 H new ATOM 0 HE2 MET A 35 -0.938 -9.237 5.866 1.00 42.51 H new ATOM 0 HE3 MET A 35 -2.211 -10.372 6.375 1.00 42.51 H new ATOM 591 N GLY A 36 -1.457 -9.110 1.353 1.00 52.32 N ATOM 592 CA GLY A 36 -2.548 -8.726 0.461 1.00 53.31 C ATOM 593 C GLY A 36 -2.179 -8.869 -1.012 1.00 13.11 C ATOM 594 O GLY A 36 -2.928 -9.451 -1.800 1.00 62.11 O ATOM 0 H GLY A 36 -1.144 -8.374 1.986 1.00 52.32 H new ATOM 0 HA2 GLY A 36 -3.421 -9.343 0.675 1.00 53.31 H new ATOM 0 HA3 GLY A 36 -2.830 -7.693 0.662 1.00 53.31 H new ATOM 598 N VAL A 37 -1.009 -8.349 -1.377 1.00 62.20 N ATOM 599 CA VAL A 37 -0.502 -8.461 -2.748 1.00 53.25 C ATOM 600 C VAL A 37 -0.277 -9.930 -3.146 1.00 11.24 C ATOM 601 O VAL A 37 -0.582 -10.335 -4.268 1.00 61.22 O ATOM 602 CB VAL A 37 0.818 -7.670 -2.910 1.00 51.23 C ATOM 603 CG1 VAL A 37 1.346 -7.771 -4.340 1.00 63.33 C ATOM 604 CG2 VAL A 37 0.613 -6.211 -2.504 1.00 23.03 C ATOM 0 H VAL A 37 -0.391 -7.844 -0.742 1.00 62.20 H new ATOM 0 HA VAL A 37 -1.258 -8.036 -3.409 1.00 53.25 H new ATOM 0 HB VAL A 37 1.566 -8.110 -2.250 1.00 51.23 H new ATOM 0 HG11 VAL A 37 2.274 -7.206 -4.426 1.00 63.33 H new ATOM 0 HG12 VAL A 37 1.533 -8.816 -4.586 1.00 63.33 H new ATOM 0 HG13 VAL A 37 0.608 -7.363 -5.030 1.00 63.33 H new ATOM 0 HG21 VAL A 37 1.549 -5.665 -2.623 1.00 23.03 H new ATOM 0 HG22 VAL A 37 -0.152 -5.761 -3.137 1.00 23.03 H new ATOM 0 HG23 VAL A 37 0.295 -6.164 -1.462 1.00 23.03 H new ATOM 614 N SER A 38 0.251 -10.724 -2.215 1.00 53.14 N ATOM 615 CA SER A 38 0.464 -12.162 -2.443 1.00 63.31 C ATOM 616 C SER A 38 -0.865 -12.863 -2.761 1.00 2.25 C ATOM 617 O SER A 38 -0.957 -13.659 -3.699 1.00 31.25 O ATOM 618 CB SER A 38 1.117 -12.814 -1.213 1.00 45.32 C ATOM 619 OG SER A 38 1.319 -14.207 -1.402 1.00 61.54 O ATOM 0 H SER A 38 0.541 -10.400 -1.293 1.00 53.14 H new ATOM 0 HA SER A 38 1.132 -12.273 -3.297 1.00 63.31 H new ATOM 0 HB2 SER A 38 2.073 -12.332 -1.010 1.00 45.32 H new ATOM 0 HB3 SER A 38 0.487 -12.653 -0.338 1.00 45.32 H new ATOM 0 HG SER A 38 1.737 -14.588 -0.602 1.00 61.54 H new ATOM 625 N SER A 39 -1.895 -12.538 -1.979 1.00 52.23 N ATOM 626 CA SER A 39 -3.254 -13.047 -2.221 1.00 21.01 C ATOM 627 C SER A 39 -3.714 -12.721 -3.647 1.00 75.23 C ATOM 628 O SER A 39 -4.308 -13.556 -4.330 1.00 4.04 O ATOM 629 CB SER A 39 -4.239 -12.438 -1.215 1.00 64.41 C ATOM 630 OG SER A 39 -3.887 -12.764 0.124 1.00 5.42 O ATOM 0 H SER A 39 -1.818 -11.923 -1.169 1.00 52.23 H new ATOM 0 HA SER A 39 -3.233 -14.130 -2.097 1.00 21.01 H new ATOM 0 HB2 SER A 39 -4.258 -11.355 -1.334 1.00 64.41 H new ATOM 0 HB3 SER A 39 -5.246 -12.799 -1.426 1.00 64.41 H new ATOM 0 HG SER A 39 -3.066 -12.289 0.371 1.00 5.42 H new ATOM 636 N LEU A 40 -3.430 -11.497 -4.088 1.00 54.31 N ATOM 637 CA LEU A 40 -3.750 -11.068 -5.452 1.00 74.33 C ATOM 638 C LEU A 40 -2.979 -11.904 -6.490 1.00 10.23 C ATOM 639 O LEU A 40 -3.565 -12.425 -7.438 1.00 2.34 O ATOM 640 CB LEU A 40 -3.423 -9.576 -5.628 1.00 30.01 C ATOM 641 CG LEU A 40 -3.771 -8.976 -7.003 1.00 21.00 C ATOM 642 CD1 LEU A 40 -5.278 -9.001 -7.244 1.00 34.14 C ATOM 643 CD2 LEU A 40 -3.226 -7.555 -7.123 1.00 2.30 C ATOM 0 H LEU A 40 -2.977 -10.781 -3.520 1.00 54.31 H new ATOM 0 HA LEU A 40 -4.817 -11.222 -5.615 1.00 74.33 H new ATOM 0 HB2 LEU A 40 -3.955 -9.013 -4.861 1.00 30.01 H new ATOM 0 HB3 LEU A 40 -2.358 -9.432 -5.448 1.00 30.01 H new ATOM 0 HG LEU A 40 -3.298 -9.589 -7.770 1.00 21.00 H new ATOM 0 HD11 LEU A 40 -5.497 -8.572 -8.222 1.00 34.14 H new ATOM 0 HD12 LEU A 40 -5.635 -10.030 -7.211 1.00 34.14 H new ATOM 0 HD13 LEU A 40 -5.780 -8.419 -6.471 1.00 34.14 H new ATOM 0 HD21 LEU A 40 -3.482 -7.148 -8.101 1.00 2.30 H new ATOM 0 HD22 LEU A 40 -3.664 -6.930 -6.344 1.00 2.30 H new ATOM 0 HD23 LEU A 40 -2.142 -7.570 -7.009 1.00 2.30 H new ATOM 655 N MET A 41 -1.665 -12.042 -6.287 1.00 11.34 N ATOM 656 CA MET A 41 -0.801 -12.808 -7.202 1.00 52.12 C ATOM 657 C MET A 41 -1.343 -14.227 -7.444 1.00 74.20 C ATOM 658 O MET A 41 -1.295 -14.740 -8.563 1.00 73.23 O ATOM 659 CB MET A 41 0.629 -12.894 -6.639 1.00 71.41 C ATOM 660 CG MET A 41 1.335 -11.549 -6.443 1.00 5.54 C ATOM 661 SD MET A 41 1.770 -10.716 -7.991 1.00 24.52 S ATOM 662 CE MET A 41 0.257 -9.837 -8.393 1.00 72.23 C ATOM 0 H MET A 41 -1.171 -11.632 -5.494 1.00 11.34 H new ATOM 0 HA MET A 41 -0.790 -12.281 -8.156 1.00 52.12 H new ATOM 0 HB2 MET A 41 0.594 -13.411 -5.680 1.00 71.41 H new ATOM 0 HB3 MET A 41 1.230 -13.507 -7.310 1.00 71.41 H new ATOM 0 HG2 MET A 41 0.690 -10.893 -5.858 1.00 5.54 H new ATOM 0 HG3 MET A 41 2.242 -11.708 -5.860 1.00 5.54 H new ATOM 0 HE1 MET A 41 -0.039 -10.071 -9.416 1.00 72.23 H new ATOM 0 HE2 MET A 41 -0.534 -10.142 -7.708 1.00 72.23 H new ATOM 0 HE3 MET A 41 0.424 -8.764 -8.300 1.00 72.23 H new ATOM 672 N ALA A 42 -1.867 -14.849 -6.389 1.00 64.24 N ATOM 673 CA ALA A 42 -2.421 -16.207 -6.480 1.00 24.33 C ATOM 674 C ALA A 42 -3.673 -16.265 -7.377 1.00 22.23 C ATOM 675 O ALA A 42 -4.002 -17.312 -7.938 1.00 0.41 O ATOM 676 CB ALA A 42 -2.748 -16.729 -5.084 1.00 33.32 C ATOM 0 H ALA A 42 -1.921 -14.437 -5.458 1.00 64.24 H new ATOM 0 HA ALA A 42 -1.664 -16.842 -6.940 1.00 24.33 H new ATOM 0 HB1 ALA A 42 -3.158 -17.736 -5.159 1.00 33.32 H new ATOM 0 HB2 ALA A 42 -1.840 -16.751 -4.482 1.00 33.32 H new ATOM 0 HB3 ALA A 42 -3.480 -16.073 -4.613 1.00 33.32 H new ATOM 682 N LEU A 43 -4.366 -15.134 -7.501 1.00 24.10 N ATOM 683 CA LEU A 43 -5.589 -15.047 -8.314 1.00 72.33 C ATOM 684 C LEU A 43 -5.329 -14.412 -9.690 1.00 23.10 C ATOM 685 O LEU A 43 -6.141 -14.547 -10.607 1.00 22.34 O ATOM 686 CB LEU A 43 -6.653 -14.249 -7.550 1.00 21.52 C ATOM 687 CG LEU A 43 -7.257 -14.981 -6.339 1.00 14.45 C ATOM 688 CD1 LEU A 43 -8.007 -14.011 -5.434 1.00 13.12 C ATOM 689 CD2 LEU A 43 -8.187 -16.102 -6.803 1.00 75.33 C ATOM 0 H LEU A 43 -4.104 -14.258 -7.048 1.00 24.10 H new ATOM 0 HA LEU A 43 -5.945 -16.061 -8.495 1.00 72.33 H new ATOM 0 HB2 LEU A 43 -6.211 -13.313 -7.208 1.00 21.52 H new ATOM 0 HB3 LEU A 43 -7.457 -13.989 -8.239 1.00 21.52 H new ATOM 0 HG LEU A 43 -6.440 -15.418 -5.766 1.00 14.45 H new ATOM 0 HD11 LEU A 43 -8.424 -14.554 -4.586 1.00 13.12 H new ATOM 0 HD12 LEU A 43 -7.320 -13.245 -5.073 1.00 13.12 H new ATOM 0 HD13 LEU A 43 -8.814 -13.539 -5.995 1.00 13.12 H new ATOM 0 HD21 LEU A 43 -8.606 -16.610 -5.934 1.00 75.33 H new ATOM 0 HD22 LEU A 43 -8.995 -15.680 -7.401 1.00 75.33 H new ATOM 0 HD23 LEU A 43 -7.624 -16.816 -7.404 1.00 75.33 H new ATOM 701 N VAL A 44 -4.202 -13.716 -9.828 1.00 62.32 N ATOM 702 CA VAL A 44 -3.821 -13.099 -11.103 1.00 51.40 C ATOM 703 C VAL A 44 -3.454 -14.159 -12.156 1.00 20.34 C ATOM 704 O VAL A 44 -2.421 -14.825 -12.056 1.00 50.32 O ATOM 705 CB VAL A 44 -2.635 -12.117 -10.926 1.00 55.23 C ATOM 706 CG1 VAL A 44 -2.118 -11.624 -12.278 1.00 53.20 C ATOM 707 CG2 VAL A 44 -3.044 -10.934 -10.052 1.00 43.11 C ATOM 0 H VAL A 44 -3.534 -13.563 -9.073 1.00 62.32 H new ATOM 0 HA VAL A 44 -4.691 -12.543 -11.453 1.00 51.40 H new ATOM 0 HB VAL A 44 -1.827 -12.656 -10.431 1.00 55.23 H new ATOM 0 HG11 VAL A 44 -1.286 -10.937 -12.121 1.00 53.20 H new ATOM 0 HG12 VAL A 44 -1.779 -12.474 -12.870 1.00 53.20 H new ATOM 0 HG13 VAL A 44 -2.919 -11.109 -12.808 1.00 53.20 H new ATOM 0 HG21 VAL A 44 -2.198 -10.256 -9.939 1.00 43.11 H new ATOM 0 HG22 VAL A 44 -3.874 -10.405 -10.521 1.00 43.11 H new ATOM 0 HG23 VAL A 44 -3.352 -11.296 -9.071 1.00 43.11 H new ATOM 865 N MET A 54 -12.332 -17.137 -15.944 1.00 5.20 N ATOM 866 CA MET A 54 -12.311 -15.847 -15.244 1.00 42.52 C ATOM 867 C MET A 54 -13.515 -15.706 -14.296 1.00 25.34 C ATOM 868 O MET A 54 -13.397 -15.149 -13.201 1.00 64.11 O ATOM 869 CB MET A 54 -12.293 -14.691 -16.256 1.00 1.44 C ATOM 870 CG MET A 54 -12.361 -13.313 -15.612 1.00 45.35 C ATOM 871 SD MET A 54 -11.097 -13.079 -14.346 1.00 64.15 S ATOM 872 CE MET A 54 -11.522 -11.448 -13.739 1.00 2.44 C ATOM 0 HA MET A 54 -11.403 -15.807 -14.643 1.00 42.52 H new ATOM 0 HB2 MET A 54 -11.385 -14.758 -16.855 1.00 1.44 H new ATOM 0 HB3 MET A 54 -13.134 -14.805 -16.939 1.00 1.44 H new ATOM 0 HG2 MET A 54 -12.246 -12.550 -16.382 1.00 45.35 H new ATOM 0 HG3 MET A 54 -13.346 -13.171 -15.168 1.00 45.35 H new ATOM 0 HE1 MET A 54 -10.828 -11.162 -12.949 1.00 2.44 H new ATOM 0 HE2 MET A 54 -11.459 -10.728 -14.555 1.00 2.44 H new ATOM 0 HE3 MET A 54 -12.538 -11.460 -13.343 1.00 2.44 H new ATOM 882 N GLU A 55 -14.669 -16.228 -14.711 1.00 72.20 N ATOM 883 CA GLU A 55 -15.881 -16.190 -13.881 1.00 1.54 C ATOM 884 C GLU A 55 -15.670 -16.956 -12.565 1.00 42.22 C ATOM 885 O GLU A 55 -16.243 -16.617 -11.532 1.00 42.34 O ATOM 886 CB GLU A 55 -17.081 -16.768 -14.651 1.00 75.31 C ATOM 887 CG GLU A 55 -18.396 -16.708 -13.876 1.00 62.23 C ATOM 888 CD GLU A 55 -19.564 -17.336 -14.624 1.00 74.10 C ATOM 889 OE1 GLU A 55 -19.646 -18.584 -14.658 1.00 72.33 O ATOM 890 OE2 GLU A 55 -20.416 -16.587 -15.156 1.00 23.14 O ATOM 0 H GLU A 55 -14.794 -16.683 -15.616 1.00 72.20 H new ATOM 0 HA GLU A 55 -16.092 -15.148 -13.639 1.00 1.54 H new ATOM 0 HB2 GLU A 55 -17.197 -16.223 -15.588 1.00 75.31 H new ATOM 0 HB3 GLU A 55 -16.869 -17.805 -14.910 1.00 75.31 H new ATOM 0 HG2 GLU A 55 -18.270 -17.216 -12.920 1.00 62.23 H new ATOM 0 HG3 GLU A 55 -18.632 -15.667 -13.655 1.00 62.23 H new ATOM 897 N ARG A 56 -14.819 -17.979 -12.609 1.00 64.32 N ATOM 898 CA ARG A 56 -14.454 -18.740 -11.405 1.00 15.32 C ATOM 899 C ARG A 56 -13.460 -17.961 -10.517 1.00 54.43 C ATOM 900 O ARG A 56 -13.032 -18.447 -9.472 1.00 24.24 O ATOM 901 CB ARG A 56 -13.853 -20.096 -11.801 1.00 60.53 C ATOM 902 CG ARG A 56 -14.817 -20.986 -12.580 1.00 34.45 C ATOM 903 CD ARG A 56 -14.199 -22.335 -12.929 1.00 62.40 C ATOM 904 NE ARG A 56 -13.783 -23.071 -11.734 1.00 35.34 N ATOM 905 CZ ARG A 56 -14.274 -24.225 -11.367 1.00 73.53 C ATOM 906 NH1 ARG A 56 -15.185 -24.812 -12.072 1.00 31.30 N ATOM 907 NH2 ARG A 56 -13.849 -24.792 -10.288 1.00 34.03 N ATOM 0 H ARG A 56 -14.366 -18.304 -13.463 1.00 64.32 H new ATOM 0 HA ARG A 56 -15.363 -18.900 -10.826 1.00 15.32 H new ATOM 0 HB2 ARG A 56 -12.960 -19.927 -12.403 1.00 60.53 H new ATOM 0 HB3 ARG A 56 -13.535 -20.620 -10.900 1.00 60.53 H new ATOM 0 HG2 ARG A 56 -15.720 -21.143 -11.991 1.00 34.45 H new ATOM 0 HG3 ARG A 56 -15.118 -20.478 -13.496 1.00 34.45 H new ATOM 0 HD2 ARG A 56 -14.920 -22.930 -13.489 1.00 62.40 H new ATOM 0 HD3 ARG A 56 -13.338 -22.182 -13.579 1.00 62.40 H new ATOM 0 HE ARG A 56 -13.060 -22.654 -11.147 1.00 35.34 H new ATOM 0 HH11 ARG A 56 -15.529 -24.374 -12.927 1.00 31.30 H new ATOM 0 HH12 ARG A 56 -15.559 -25.713 -11.774 1.00 31.30 H new ATOM 0 HH21 ARG A 56 -13.131 -24.339 -9.723 1.00 34.03 H new ATOM 0 HH22 ARG A 56 -14.232 -25.693 -10.001 1.00 34.03 H new ATOM 921 N HIS A 57 -13.082 -16.757 -10.948 1.00 72.50 N ATOM 922 CA HIS A 57 -12.191 -15.888 -10.163 1.00 13.31 C ATOM 923 C HIS A 57 -12.879 -14.567 -9.772 1.00 61.53 C ATOM 924 O HIS A 57 -12.482 -13.923 -8.803 1.00 10.34 O ATOM 925 CB HIS A 57 -10.916 -15.560 -10.958 1.00 21.31 C ATOM 926 CG HIS A 57 -10.094 -16.754 -11.350 1.00 71.21 C ATOM 927 ND1 HIS A 57 -9.228 -16.747 -12.426 1.00 44.44 N ATOM 928 CD2 HIS A 57 -9.986 -17.989 -10.799 1.00 2.02 C ATOM 929 CE1 HIS A 57 -8.632 -17.918 -12.519 1.00 75.00 C ATOM 930 NE2 HIS A 57 -9.072 -18.690 -11.547 1.00 23.13 N ATOM 0 H HIS A 57 -13.378 -16.357 -11.838 1.00 72.50 H new ATOM 0 HA HIS A 57 -11.937 -16.436 -9.255 1.00 13.31 H new ATOM 0 HB2 HIS A 57 -11.197 -15.018 -11.861 1.00 21.31 H new ATOM 0 HB3 HIS A 57 -10.296 -14.889 -10.363 1.00 21.31 H new ATOM 0 HD2 HIS A 57 -10.519 -18.353 -9.933 1.00 2.02 H new ATOM 0 HE1 HIS A 57 -7.905 -18.198 -13.267 1.00 75.00 H new ATOM 0 HE2 HIS A 57 -8.781 -19.653 -11.377 1.00 23.13 H new ATOM 939 N ILE A 58 -13.917 -14.191 -10.523 1.00 21.32 N ATOM 940 CA ILE A 58 -14.538 -12.857 -10.421 1.00 1.31 C ATOM 941 C ILE A 58 -14.883 -12.444 -8.970 1.00 51.45 C ATOM 942 O ILE A 58 -14.656 -11.302 -8.576 1.00 42.40 O ATOM 943 CB ILE A 58 -15.813 -12.775 -11.309 1.00 71.23 C ATOM 944 CG1 ILE A 58 -16.290 -11.320 -11.450 1.00 4.51 C ATOM 945 CG2 ILE A 58 -16.934 -13.657 -10.762 1.00 52.23 C ATOM 946 CD1 ILE A 58 -15.347 -10.451 -12.255 1.00 13.42 C ATOM 0 H ILE A 58 -14.354 -14.796 -11.218 1.00 21.32 H new ATOM 0 HA ILE A 58 -13.789 -12.152 -10.780 1.00 1.31 H new ATOM 0 HB ILE A 58 -15.548 -13.149 -12.298 1.00 71.23 H new ATOM 0 HG12 ILE A 58 -17.272 -11.312 -11.923 1.00 4.51 H new ATOM 0 HG13 ILE A 58 -16.411 -10.888 -10.457 1.00 4.51 H new ATOM 0 HG21 ILE A 58 -17.809 -13.575 -11.407 1.00 52.23 H new ATOM 0 HG22 ILE A 58 -16.600 -14.694 -10.734 1.00 52.23 H new ATOM 0 HG23 ILE A 58 -17.194 -13.332 -9.755 1.00 52.23 H new ATOM 0 HD11 ILE A 58 -15.746 -9.438 -12.314 1.00 13.42 H new ATOM 0 HD12 ILE A 58 -14.370 -10.429 -11.771 1.00 13.42 H new ATOM 0 HD13 ILE A 58 -15.245 -10.859 -13.260 1.00 13.42 H new ATOM 958 N ASN A 59 -15.419 -13.372 -8.180 1.00 13.13 N ATOM 959 CA ASN A 59 -15.822 -13.072 -6.797 1.00 71.15 C ATOM 960 C ASN A 59 -14.629 -13.124 -5.827 1.00 42.32 C ATOM 961 O ASN A 59 -14.479 -12.259 -4.960 1.00 30.13 O ATOM 962 CB ASN A 59 -16.912 -14.050 -6.347 1.00 2.23 C ATOM 963 CG ASN A 59 -18.143 -13.995 -7.235 1.00 24.03 C ATOM 964 OD1 ASN A 59 -18.474 -12.960 -7.804 1.00 51.15 O ATOM 965 ND2 ASN A 59 -18.832 -15.109 -7.360 1.00 74.10 N ATOM 0 H ASN A 59 -15.586 -14.336 -8.467 1.00 13.13 H new ATOM 0 HA ASN A 59 -16.214 -12.055 -6.779 1.00 71.15 H new ATOM 0 HB2 ASN A 59 -16.511 -15.063 -6.350 1.00 2.23 H new ATOM 0 HB3 ASN A 59 -17.198 -13.823 -5.320 1.00 2.23 H new ATOM 0 HD21 ASN A 59 -19.668 -15.129 -7.944 1.00 74.10 H new ATOM 0 HD22 ASN A 59 -18.530 -15.953 -6.873 1.00 74.10 H new ATOM 972 N GLU A 60 -13.780 -14.137 -5.985 1.00 41.54 N ATOM 973 CA GLU A 60 -12.614 -14.326 -5.112 1.00 32.30 C ATOM 974 C GLU A 60 -11.627 -13.151 -5.206 1.00 53.53 C ATOM 975 O GLU A 60 -11.135 -12.652 -4.190 1.00 62.22 O ATOM 976 CB GLU A 60 -11.896 -15.635 -5.475 1.00 40.40 C ATOM 977 CG GLU A 60 -12.718 -16.893 -5.208 1.00 4.32 C ATOM 978 CD GLU A 60 -13.070 -17.070 -3.736 1.00 32.51 C ATOM 979 OE1 GLU A 60 -12.140 -17.194 -2.912 1.00 55.23 O ATOM 980 OE2 GLU A 60 -14.273 -17.076 -3.396 1.00 61.13 O ATOM 0 H GLU A 60 -13.875 -14.846 -6.713 1.00 41.54 H new ATOM 0 HA GLU A 60 -12.977 -14.373 -4.085 1.00 32.30 H new ATOM 0 HB2 GLU A 60 -11.626 -15.608 -6.531 1.00 40.40 H new ATOM 0 HB3 GLU A 60 -10.966 -15.695 -4.910 1.00 40.40 H new ATOM 0 HG2 GLU A 60 -13.636 -16.852 -5.794 1.00 4.32 H new ATOM 0 HG3 GLU A 60 -12.160 -17.765 -5.550 1.00 4.32 H new ATOM 987 N ILE A 61 -11.344 -12.709 -6.429 1.00 70.24 N ATOM 988 CA ILE A 61 -10.378 -11.626 -6.655 1.00 42.35 C ATOM 989 C ILE A 61 -10.809 -10.320 -5.963 1.00 62.42 C ATOM 990 O ILE A 61 -9.967 -9.536 -5.526 1.00 11.14 O ATOM 991 CB ILE A 61 -10.141 -11.383 -8.172 1.00 64.44 C ATOM 992 CG1 ILE A 61 -9.025 -10.342 -8.392 1.00 63.10 C ATOM 993 CG2 ILE A 61 -11.435 -10.951 -8.860 1.00 22.05 C ATOM 994 CD1 ILE A 61 -8.645 -10.144 -9.845 1.00 61.22 C ATOM 0 H ILE A 61 -11.766 -13.080 -7.280 1.00 70.24 H new ATOM 0 HA ILE A 61 -9.437 -11.946 -6.208 1.00 42.35 H new ATOM 0 HB ILE A 61 -9.818 -12.322 -8.621 1.00 64.44 H new ATOM 0 HG12 ILE A 61 -9.347 -9.386 -7.978 1.00 63.10 H new ATOM 0 HG13 ILE A 61 -8.140 -10.649 -7.834 1.00 63.10 H new ATOM 0 HG21 ILE A 61 -11.246 -10.786 -9.921 1.00 22.05 H new ATOM 0 HG22 ILE A 61 -12.187 -11.731 -8.742 1.00 22.05 H new ATOM 0 HG23 ILE A 61 -11.796 -10.027 -8.408 1.00 22.05 H new ATOM 0 HD11 ILE A 61 -7.854 -9.397 -9.916 1.00 61.22 H new ATOM 0 HD12 ILE A 61 -8.291 -11.088 -10.260 1.00 61.22 H new ATOM 0 HD13 ILE A 61 -9.516 -9.805 -10.406 1.00 61.22 H new ATOM 1006 N ARG A 62 -12.122 -10.112 -5.831 1.00 63.42 N ATOM 1007 CA ARG A 62 -12.653 -8.923 -5.145 1.00 41.33 C ATOM 1008 C ARG A 62 -12.155 -8.847 -3.689 1.00 44.53 C ATOM 1009 O ARG A 62 -11.981 -7.760 -3.135 1.00 70.14 O ATOM 1010 CB ARG A 62 -14.193 -8.925 -5.165 1.00 51.54 C ATOM 1011 CG ARG A 62 -14.802 -8.940 -6.564 1.00 35.52 C ATOM 1012 CD ARG A 62 -16.332 -8.895 -6.529 1.00 44.34 C ATOM 1013 NE ARG A 62 -16.840 -7.641 -5.958 1.00 14.45 N ATOM 1014 CZ ARG A 62 -18.068 -7.208 -6.100 1.00 14.21 C ATOM 1015 NH1 ARG A 62 -18.951 -7.921 -6.720 1.00 52.44 N ATOM 1016 NH2 ARG A 62 -18.416 -6.063 -5.603 1.00 2.35 N ATOM 0 H ARG A 62 -12.837 -10.746 -6.187 1.00 63.42 H new ATOM 0 HA ARG A 62 -12.289 -8.047 -5.682 1.00 41.33 H new ATOM 0 HB2 ARG A 62 -14.551 -9.796 -4.616 1.00 51.54 H new ATOM 0 HB3 ARG A 62 -14.553 -8.044 -4.634 1.00 51.54 H new ATOM 0 HG2 ARG A 62 -14.428 -8.087 -7.130 1.00 35.52 H new ATOM 0 HG3 ARG A 62 -14.479 -9.838 -7.090 1.00 35.52 H new ATOM 0 HD2 ARG A 62 -16.720 -9.014 -7.541 1.00 44.34 H new ATOM 0 HD3 ARG A 62 -16.705 -9.735 -5.943 1.00 44.34 H new ATOM 0 HE ARG A 62 -16.193 -7.069 -5.415 1.00 14.45 H new ATOM 0 HH11 ARG A 62 -18.694 -8.830 -7.104 1.00 52.44 H new ATOM 0 HH12 ARG A 62 -19.904 -7.574 -6.825 1.00 52.44 H new ATOM 0 HH21 ARG A 62 -17.733 -5.497 -5.100 1.00 2.35 H new ATOM 0 HH22 ARG A 62 -19.373 -5.728 -5.715 1.00 2.35 H new ATOM 1030 N THR A 63 -11.925 -10.008 -3.075 1.00 3.12 N ATOM 1031 CA THR A 63 -11.425 -10.071 -1.694 1.00 33.20 C ATOM 1032 C THR A 63 -9.942 -9.678 -1.624 1.00 13.52 C ATOM 1033 O THR A 63 -9.542 -8.857 -0.798 1.00 64.24 O ATOM 1034 CB THR A 63 -11.600 -11.487 -1.090 1.00 63.43 C ATOM 1035 OG1 THR A 63 -12.955 -11.938 -1.259 1.00 65.45 O ATOM 1036 CG2 THR A 63 -11.242 -11.504 0.396 1.00 45.03 C ATOM 0 H THR A 63 -12.076 -10.919 -3.509 1.00 3.12 H new ATOM 0 HA THR A 63 -12.016 -9.362 -1.113 1.00 33.20 H new ATOM 0 HB THR A 63 -10.923 -12.158 -1.619 1.00 63.43 H new ATOM 0 HG1 THR A 63 -13.052 -12.834 -0.875 1.00 65.45 H new ATOM 0 HG21 THR A 63 -11.375 -12.511 0.791 1.00 45.03 H new ATOM 0 HG22 THR A 63 -10.204 -11.198 0.524 1.00 45.03 H new ATOM 0 HG23 THR A 63 -11.892 -10.814 0.935 1.00 45.03 H new ATOM 1044 N ALA A 64 -9.127 -10.270 -2.498 1.00 21.02 N ATOM 1045 CA ALA A 64 -7.690 -9.965 -2.551 1.00 34.51 C ATOM 1046 C ALA A 64 -7.438 -8.491 -2.905 1.00 13.35 C ATOM 1047 O ALA A 64 -6.607 -7.827 -2.285 1.00 70.11 O ATOM 1048 CB ALA A 64 -6.994 -10.880 -3.553 1.00 74.33 C ATOM 0 H ALA A 64 -9.434 -10.964 -3.180 1.00 21.02 H new ATOM 0 HA ALA A 64 -7.274 -10.142 -1.559 1.00 34.51 H new ATOM 0 HB1 ALA A 64 -5.930 -10.644 -3.583 1.00 74.33 H new ATOM 0 HB2 ALA A 64 -7.127 -11.919 -3.251 1.00 74.33 H new ATOM 0 HB3 ALA A 64 -7.427 -10.732 -4.542 1.00 74.33 H new ATOM 1054 N VAL A 65 -8.165 -7.991 -3.905 1.00 24.32 N ATOM 1055 CA VAL A 65 -8.112 -6.572 -4.283 1.00 45.01 C ATOM 1056 C VAL A 65 -8.397 -5.669 -3.073 1.00 3.40 C ATOM 1057 O VAL A 65 -7.701 -4.677 -2.837 1.00 71.43 O ATOM 1058 CB VAL A 65 -9.129 -6.262 -5.416 1.00 34.25 C ATOM 1059 CG1 VAL A 65 -9.269 -4.758 -5.650 1.00 4.13 C ATOM 1060 CG2 VAL A 65 -8.725 -6.970 -6.710 1.00 3.25 C ATOM 0 H VAL A 65 -8.802 -8.549 -4.473 1.00 24.32 H new ATOM 0 HA VAL A 65 -7.105 -6.367 -4.646 1.00 45.01 H new ATOM 0 HB VAL A 65 -10.101 -6.640 -5.099 1.00 34.25 H new ATOM 0 HG11 VAL A 65 -9.988 -4.580 -6.449 1.00 4.13 H new ATOM 0 HG12 VAL A 65 -9.617 -4.278 -4.735 1.00 4.13 H new ATOM 0 HG13 VAL A 65 -8.302 -4.342 -5.933 1.00 4.13 H new ATOM 0 HG21 VAL A 65 -9.449 -6.741 -7.492 1.00 3.25 H new ATOM 0 HG22 VAL A 65 -7.737 -6.628 -7.019 1.00 3.25 H new ATOM 0 HG23 VAL A 65 -8.700 -8.047 -6.543 1.00 3.25 H new ATOM 1070 N ASP A 66 -9.418 -6.033 -2.302 1.00 54.41 N ATOM 1071 CA ASP A 66 -9.779 -5.296 -1.091 1.00 72.22 C ATOM 1072 C ASP A 66 -8.656 -5.367 -0.038 1.00 72.32 C ATOM 1073 O ASP A 66 -8.377 -4.382 0.648 1.00 53.10 O ATOM 1074 CB ASP A 66 -11.089 -5.853 -0.524 1.00 3.31 C ATOM 1075 CG ASP A 66 -11.575 -5.082 0.687 1.00 45.12 C ATOM 1076 OD1 ASP A 66 -12.071 -3.950 0.515 1.00 3.42 O ATOM 1077 OD2 ASP A 66 -11.464 -5.599 1.818 1.00 21.44 O ATOM 0 H ASP A 66 -10.014 -6.838 -2.495 1.00 54.41 H new ATOM 0 HA ASP A 66 -9.918 -4.246 -1.350 1.00 72.22 H new ATOM 0 HB2 ASP A 66 -11.856 -5.827 -1.298 1.00 3.31 H new ATOM 0 HB3 ASP A 66 -10.947 -6.899 -0.251 1.00 3.31 H new ATOM 1082 N LYS A 67 -8.009 -6.531 0.074 1.00 73.13 N ATOM 1083 CA LYS A 67 -6.890 -6.712 1.014 1.00 74.42 C ATOM 1084 C LYS A 67 -5.700 -5.803 0.669 1.00 25.43 C ATOM 1085 O LYS A 67 -5.100 -5.197 1.558 1.00 22.04 O ATOM 1086 CB LYS A 67 -6.430 -8.178 1.054 1.00 65.24 C ATOM 1087 CG LYS A 67 -7.411 -9.115 1.755 1.00 43.31 C ATOM 1088 CD LYS A 67 -6.770 -10.462 2.086 1.00 31.32 C ATOM 1089 CE LYS A 67 -7.641 -11.286 3.027 1.00 2.13 C ATOM 1090 NZ LYS A 67 -6.973 -12.548 3.446 1.00 24.20 N ATOM 0 H LYS A 67 -8.237 -7.362 -0.471 1.00 73.13 H new ATOM 0 HA LYS A 67 -7.260 -6.430 2.000 1.00 74.42 H new ATOM 0 HB2 LYS A 67 -6.275 -8.528 0.033 1.00 65.24 H new ATOM 0 HB3 LYS A 67 -5.466 -8.232 1.560 1.00 65.24 H new ATOM 0 HG2 LYS A 67 -7.768 -8.647 2.672 1.00 43.31 H new ATOM 0 HG3 LYS A 67 -8.281 -9.273 1.118 1.00 43.31 H new ATOM 0 HD2 LYS A 67 -6.600 -11.020 1.165 1.00 31.32 H new ATOM 0 HD3 LYS A 67 -5.794 -10.298 2.544 1.00 31.32 H new ATOM 0 HE2 LYS A 67 -7.882 -10.693 3.910 1.00 2.13 H new ATOM 0 HE3 LYS A 67 -8.584 -11.522 2.534 1.00 2.13 H new ATOM 0 HZ1 LYS A 67 -7.600 -13.077 4.085 1.00 24.20 H new ATOM 0 HZ2 LYS A 67 -6.766 -13.126 2.607 1.00 24.20 H new ATOM 0 HZ3 LYS A 67 -6.085 -12.324 3.940 1.00 24.20 H new ATOM 1104 N VAL A 68 -5.359 -5.715 -0.618 1.00 2.42 N ATOM 1105 CA VAL A 68 -4.282 -4.821 -1.070 1.00 40.24 C ATOM 1106 C VAL A 68 -4.525 -3.383 -0.580 1.00 53.14 C ATOM 1107 O VAL A 68 -3.665 -2.776 0.063 1.00 51.42 O ATOM 1108 CB VAL A 68 -4.154 -4.821 -2.617 1.00 3.12 C ATOM 1109 CG1 VAL A 68 -3.040 -3.880 -3.075 1.00 14.44 C ATOM 1110 CG2 VAL A 68 -3.922 -6.238 -3.145 1.00 44.32 C ATOM 0 H VAL A 68 -5.807 -6.247 -1.364 1.00 2.42 H new ATOM 0 HA VAL A 68 -3.352 -5.197 -0.643 1.00 40.24 H new ATOM 0 HB VAL A 68 -5.094 -4.455 -3.031 1.00 3.12 H new ATOM 0 HG11 VAL A 68 -2.972 -3.899 -4.163 1.00 14.44 H new ATOM 0 HG12 VAL A 68 -3.261 -2.866 -2.743 1.00 14.44 H new ATOM 0 HG13 VAL A 68 -2.091 -4.203 -2.646 1.00 14.44 H new ATOM 0 HG21 VAL A 68 -3.836 -6.212 -4.231 1.00 44.32 H new ATOM 0 HG22 VAL A 68 -3.003 -6.640 -2.717 1.00 44.32 H new ATOM 0 HG23 VAL A 68 -4.762 -6.873 -2.863 1.00 44.32 H new ATOM 1120 N GLU A 69 -5.713 -2.862 -0.872 1.00 51.34 N ATOM 1121 CA GLU A 69 -6.112 -1.524 -0.424 1.00 63.10 C ATOM 1122 C GLU A 69 -6.176 -1.425 1.108 1.00 31.13 C ATOM 1123 O GLU A 69 -5.797 -0.406 1.687 1.00 20.53 O ATOM 1124 CB GLU A 69 -7.470 -1.154 -1.036 1.00 44.12 C ATOM 1125 CG GLU A 69 -7.397 -0.800 -2.521 1.00 64.21 C ATOM 1126 CD GLU A 69 -6.660 0.509 -2.766 1.00 35.43 C ATOM 1127 OE1 GLU A 69 -7.313 1.576 -2.723 1.00 11.14 O ATOM 1128 OE2 GLU A 69 -5.425 0.481 -2.966 1.00 10.42 O ATOM 0 H GLU A 69 -6.423 -3.347 -1.420 1.00 51.34 H new ATOM 0 HA GLU A 69 -5.353 -0.820 -0.764 1.00 63.10 H new ATOM 0 HB2 GLU A 69 -8.158 -1.989 -0.904 1.00 44.12 H new ATOM 0 HB3 GLU A 69 -7.887 -0.308 -0.490 1.00 44.12 H new ATOM 0 HG2 GLU A 69 -6.895 -1.604 -3.060 1.00 64.21 H new ATOM 0 HG3 GLU A 69 -8.407 -0.727 -2.925 1.00 64.21 H new ATOM 1135 N LEU A 70 -6.646 -2.490 1.757 1.00 23.42 N ATOM 1136 CA LEU A 70 -6.768 -2.522 3.222 1.00 71.12 C ATOM 1137 C LEU A 70 -5.408 -2.322 3.908 1.00 51.23 C ATOM 1138 O LEU A 70 -5.200 -1.340 4.628 1.00 63.03 O ATOM 1139 CB LEU A 70 -7.386 -3.857 3.671 1.00 74.31 C ATOM 1140 CG LEU A 70 -7.439 -4.089 5.194 1.00 73.32 C ATOM 1141 CD1 LEU A 70 -8.323 -3.048 5.875 1.00 74.54 C ATOM 1142 CD2 LEU A 70 -7.924 -5.506 5.504 1.00 3.23 C ATOM 0 H LEU A 70 -6.950 -3.346 1.294 1.00 23.42 H new ATOM 0 HA LEU A 70 -7.419 -1.699 3.518 1.00 71.12 H new ATOM 0 HB2 LEU A 70 -8.401 -3.918 3.277 1.00 74.31 H new ATOM 0 HB3 LEU A 70 -6.819 -4.670 3.217 1.00 74.31 H new ATOM 0 HG LEU A 70 -6.430 -3.979 5.591 1.00 73.32 H new ATOM 0 HD11 LEU A 70 -8.343 -3.234 6.949 1.00 74.54 H new ATOM 0 HD12 LEU A 70 -7.923 -2.052 5.687 1.00 74.54 H new ATOM 0 HD13 LEU A 70 -9.335 -3.113 5.476 1.00 74.54 H new ATOM 0 HD21 LEU A 70 -7.955 -5.652 6.584 1.00 3.23 H new ATOM 0 HD22 LEU A 70 -8.922 -5.648 5.090 1.00 3.23 H new ATOM 0 HD23 LEU A 70 -7.241 -6.230 5.060 1.00 3.23 H new ATOM 1154 N PHE A 71 -4.479 -3.247 3.664 1.00 55.30 N ATOM 1155 CA PHE A 71 -3.156 -3.206 4.299 1.00 51.31 C ATOM 1156 C PHE A 71 -2.371 -1.950 3.893 1.00 3.11 C ATOM 1157 O PHE A 71 -1.607 -1.396 4.690 1.00 71.24 O ATOM 1158 CB PHE A 71 -2.353 -4.468 3.950 1.00 43.41 C ATOM 1159 CG PHE A 71 -3.009 -5.751 4.407 1.00 62.44 C ATOM 1160 CD1 PHE A 71 -3.261 -5.976 5.753 1.00 23.12 C ATOM 1161 CD2 PHE A 71 -3.374 -6.728 3.492 1.00 43.50 C ATOM 1162 CE1 PHE A 71 -3.863 -7.147 6.175 1.00 40.22 C ATOM 1163 CE2 PHE A 71 -3.976 -7.901 3.909 1.00 44.40 C ATOM 1164 CZ PHE A 71 -4.220 -8.111 5.251 1.00 74.31 C ATOM 0 H PHE A 71 -4.616 -4.035 3.031 1.00 55.30 H new ATOM 0 HA PHE A 71 -3.311 -3.169 5.377 1.00 51.31 H new ATOM 0 HB2 PHE A 71 -2.208 -4.509 2.870 1.00 43.41 H new ATOM 0 HB3 PHE A 71 -1.364 -4.395 4.402 1.00 43.41 H new ATOM 0 HD1 PHE A 71 -2.983 -5.227 6.480 1.00 23.12 H new ATOM 0 HD2 PHE A 71 -3.185 -6.570 2.440 1.00 43.50 H new ATOM 0 HE1 PHE A 71 -4.054 -7.308 7.226 1.00 40.22 H new ATOM 0 HE2 PHE A 71 -4.255 -8.652 3.185 1.00 44.40 H new ATOM 0 HZ PHE A 71 -4.689 -9.027 5.579 1.00 74.31 H new ATOM 1174 N LEU A 72 -2.561 -1.504 2.652 1.00 72.44 N ATOM 1175 CA LEU A 72 -1.918 -0.279 2.168 1.00 5.21 C ATOM 1176 C LEU A 72 -2.484 0.959 2.882 1.00 52.40 C ATOM 1177 O LEU A 72 -1.749 1.888 3.216 1.00 12.33 O ATOM 1178 CB LEU A 72 -2.100 -0.153 0.649 1.00 4.13 C ATOM 1179 CG LEU A 72 -1.394 1.045 -0.009 1.00 31.15 C ATOM 1180 CD1 LEU A 72 0.086 1.088 0.369 1.00 44.35 C ATOM 1181 CD2 LEU A 72 -1.558 0.988 -1.527 1.00 43.34 C ATOM 0 H LEU A 72 -3.153 -1.970 1.964 1.00 72.44 H new ATOM 0 HA LEU A 72 -0.853 -0.339 2.392 1.00 5.21 H new ATOM 0 HB2 LEU A 72 -1.737 -1.068 0.181 1.00 4.13 H new ATOM 0 HB3 LEU A 72 -3.166 -0.086 0.433 1.00 4.13 H new ATOM 0 HG LEU A 72 -1.860 1.958 0.360 1.00 31.15 H new ATOM 0 HD11 LEU A 72 0.559 1.945 -0.110 1.00 44.35 H new ATOM 0 HD12 LEU A 72 0.183 1.178 1.451 1.00 44.35 H new ATOM 0 HD13 LEU A 72 0.573 0.171 0.036 1.00 44.35 H new ATOM 0 HD21 LEU A 72 -1.054 1.842 -1.980 1.00 43.34 H new ATOM 0 HD22 LEU A 72 -1.120 0.065 -1.906 1.00 43.34 H new ATOM 0 HD23 LEU A 72 -2.618 1.017 -1.780 1.00 43.34 H new ATOM 1193 N LYS A 73 -3.794 0.956 3.126 1.00 11.11 N ATOM 1194 CA LYS A 73 -4.458 2.038 3.861 1.00 43.31 C ATOM 1195 C LYS A 73 -3.930 2.129 5.305 1.00 23.14 C ATOM 1196 O LYS A 73 -3.629 3.218 5.803 1.00 50.11 O ATOM 1197 CB LYS A 73 -5.984 1.820 3.833 1.00 21.21 C ATOM 1198 CG LYS A 73 -6.802 2.804 4.680 1.00 52.53 C ATOM 1199 CD LYS A 73 -7.148 2.237 6.059 1.00 23.52 C ATOM 1200 CE LYS A 73 -7.983 0.960 5.957 1.00 31.43 C ATOM 1201 NZ LYS A 73 -9.259 1.181 5.223 1.00 42.11 N ATOM 0 H LYS A 73 -4.422 0.212 2.824 1.00 11.11 H new ATOM 0 HA LYS A 73 -4.233 2.988 3.376 1.00 43.31 H new ATOM 0 HB2 LYS A 73 -6.325 1.885 2.800 1.00 21.21 H new ATOM 0 HB3 LYS A 73 -6.196 0.807 4.176 1.00 21.21 H new ATOM 0 HG2 LYS A 73 -6.240 3.730 4.801 1.00 52.53 H new ATOM 0 HG3 LYS A 73 -7.722 3.056 4.152 1.00 52.53 H new ATOM 0 HD2 LYS A 73 -6.229 2.027 6.606 1.00 23.52 H new ATOM 0 HD3 LYS A 73 -7.697 2.985 6.632 1.00 23.52 H new ATOM 0 HE2 LYS A 73 -7.403 0.188 5.451 1.00 31.43 H new ATOM 0 HE3 LYS A 73 -8.201 0.589 6.959 1.00 31.43 H new ATOM 0 HZ1 LYS A 73 -9.859 0.336 5.308 1.00 42.11 H new ATOM 0 HZ2 LYS A 73 -9.755 2.001 5.628 1.00 42.11 H new ATOM 0 HZ3 LYS A 73 -9.055 1.361 4.219 1.00 42.11 H new ATOM 1215 N GLU A 74 -3.811 0.977 5.965 1.00 33.01 N ATOM 1216 CA GLU A 74 -3.246 0.915 7.319 1.00 21.52 C ATOM 1217 C GLU A 74 -1.782 1.385 7.322 1.00 73.22 C ATOM 1218 O GLU A 74 -1.343 2.104 8.224 1.00 53.41 O ATOM 1219 CB GLU A 74 -3.329 -0.516 7.871 1.00 53.44 C ATOM 1220 CG GLU A 74 -4.741 -1.096 7.877 1.00 52.03 C ATOM 1221 CD GLU A 74 -4.797 -2.490 8.485 1.00 43.20 C ATOM 1222 OE1 GLU A 74 -4.436 -3.463 7.794 1.00 63.21 O ATOM 1223 OE2 GLU A 74 -5.192 -2.615 9.667 1.00 30.21 O ATOM 0 H GLU A 74 -4.097 0.074 5.587 1.00 33.01 H new ATOM 0 HA GLU A 74 -3.830 1.579 7.957 1.00 21.52 H new ATOM 0 HB2 GLU A 74 -2.684 -1.162 7.276 1.00 53.44 H new ATOM 0 HB3 GLU A 74 -2.939 -0.526 8.889 1.00 53.44 H new ATOM 0 HG2 GLU A 74 -5.400 -0.432 8.437 1.00 52.03 H new ATOM 0 HG3 GLU A 74 -5.119 -1.133 6.855 1.00 52.03 H new ATOM 1230 N TYR A 75 -1.037 0.968 6.298 1.00 63.25 N ATOM 1231 CA TYR A 75 0.367 1.357 6.135 1.00 4.30 C ATOM 1232 C TYR A 75 0.514 2.885 6.013 1.00 33.30 C ATOM 1233 O TYR A 75 1.333 3.500 6.702 1.00 70.23 O ATOM 1234 CB TYR A 75 0.957 0.667 4.894 1.00 11.21 C ATOM 1235 CG TYR A 75 2.435 0.936 4.678 1.00 73.04 C ATOM 1236 CD1 TYR A 75 3.403 0.172 5.322 1.00 50.04 C ATOM 1237 CD2 TYR A 75 2.861 1.960 3.837 1.00 65.23 C ATOM 1238 CE1 TYR A 75 4.749 0.419 5.133 1.00 41.52 C ATOM 1239 CE2 TYR A 75 4.206 2.211 3.647 1.00 63.34 C ATOM 1240 CZ TYR A 75 5.144 1.440 4.297 1.00 13.13 C ATOM 1241 OH TYR A 75 6.484 1.691 4.112 1.00 34.20 O ATOM 0 H TYR A 75 -1.386 0.355 5.561 1.00 63.25 H new ATOM 0 HA TYR A 75 0.915 1.039 7.022 1.00 4.30 H new ATOM 0 HB2 TYR A 75 0.804 -0.409 4.983 1.00 11.21 H new ATOM 0 HB3 TYR A 75 0.406 0.996 4.013 1.00 11.21 H new ATOM 0 HD1 TYR A 75 3.097 -0.627 5.981 1.00 50.04 H new ATOM 0 HD2 TYR A 75 2.129 2.567 3.325 1.00 65.23 H new ATOM 0 HE1 TYR A 75 5.488 -0.185 5.638 1.00 41.52 H new ATOM 0 HE2 TYR A 75 4.521 3.009 2.991 1.00 63.34 H new ATOM 0 HH TYR A 75 6.794 1.234 3.302 1.00 34.20 H new ATOM 1251 N LEU A 76 -0.293 3.486 5.136 1.00 31.22 N ATOM 1252 CA LEU A 76 -0.263 4.938 4.911 1.00 12.23 C ATOM 1253 C LEU A 76 -0.477 5.726 6.213 1.00 52.41 C ATOM 1254 O LEU A 76 0.250 6.681 6.494 1.00 54.11 O ATOM 1255 CB LEU A 76 -1.323 5.340 3.872 1.00 54.13 C ATOM 1256 CG LEU A 76 -1.051 4.865 2.435 1.00 64.01 C ATOM 1257 CD1 LEU A 76 -2.205 5.244 1.511 1.00 3.34 C ATOM 1258 CD2 LEU A 76 0.265 5.444 1.916 1.00 54.41 C ATOM 0 H LEU A 76 -0.979 2.990 4.567 1.00 31.22 H new ATOM 0 HA LEU A 76 0.728 5.188 4.532 1.00 12.23 H new ATOM 0 HB2 LEU A 76 -2.288 4.945 4.191 1.00 54.13 H new ATOM 0 HB3 LEU A 76 -1.409 6.427 3.867 1.00 54.13 H new ATOM 0 HG LEU A 76 -0.967 3.778 2.447 1.00 64.01 H new ATOM 0 HD11 LEU A 76 -1.990 4.898 0.500 1.00 3.34 H new ATOM 0 HD12 LEU A 76 -3.124 4.778 1.867 1.00 3.34 H new ATOM 0 HD13 LEU A 76 -2.326 6.327 1.506 1.00 3.34 H new ATOM 0 HD21 LEU A 76 0.439 5.096 0.898 1.00 54.41 H new ATOM 0 HD22 LEU A 76 0.211 6.533 1.923 1.00 54.41 H new ATOM 0 HD23 LEU A 76 1.084 5.117 2.556 1.00 54.41 H new ATOM 1270 N HIS A 77 -1.465 5.322 7.009 1.00 64.53 N ATOM 1271 CA HIS A 77 -1.763 6.012 8.272 1.00 13.44 C ATOM 1272 C HIS A 77 -0.546 6.017 9.217 1.00 51.52 C ATOM 1273 O HIS A 77 -0.321 6.981 9.950 1.00 54.15 O ATOM 1274 CB HIS A 77 -2.971 5.366 8.970 1.00 11.33 C ATOM 1275 CG HIS A 77 -3.393 6.072 10.228 1.00 61.04 C ATOM 1276 ND1 HIS A 77 -3.237 5.531 11.486 1.00 73.21 N ATOM 1277 CD2 HIS A 77 -3.969 7.284 10.417 1.00 74.45 C ATOM 1278 CE1 HIS A 77 -3.698 6.373 12.388 1.00 55.00 C ATOM 1279 NE2 HIS A 77 -4.145 7.447 11.769 1.00 73.23 N ATOM 0 H HIS A 77 -2.071 4.527 6.808 1.00 64.53 H new ATOM 0 HA HIS A 77 -2.005 7.047 8.029 1.00 13.44 H new ATOM 0 HB2 HIS A 77 -3.812 5.346 8.276 1.00 11.33 H new ATOM 0 HB3 HIS A 77 -2.730 4.330 9.209 1.00 11.33 H new ATOM 0 HD2 HIS A 77 -4.240 7.991 9.647 1.00 74.45 H new ATOM 0 HE1 HIS A 77 -3.708 6.210 13.456 1.00 55.00 H new ATOM 0 HE2 HIS A 77 -4.554 8.265 12.220 1.00 73.23 H new ATOM 1288 N PHE A 78 0.241 4.945 9.184 1.00 24.53 N ATOM 1289 CA PHE A 78 1.416 4.820 10.054 1.00 70.05 C ATOM 1290 C PHE A 78 2.575 5.709 9.565 1.00 75.24 C ATOM 1291 O PHE A 78 3.110 6.526 10.320 1.00 1.51 O ATOM 1292 CB PHE A 78 1.863 3.353 10.116 1.00 24.53 C ATOM 1293 CG PHE A 78 2.795 3.034 11.263 1.00 11.35 C ATOM 1294 CD1 PHE A 78 4.170 3.177 11.131 1.00 31.22 C ATOM 1295 CD2 PHE A 78 2.290 2.584 12.476 1.00 44.31 C ATOM 1296 CE1 PHE A 78 5.019 2.879 12.182 1.00 35.35 C ATOM 1297 CE2 PHE A 78 3.135 2.284 13.529 1.00 33.41 C ATOM 1298 CZ PHE A 78 4.500 2.433 13.382 1.00 72.52 C ATOM 0 H PHE A 78 0.090 4.148 8.566 1.00 24.53 H new ATOM 0 HA PHE A 78 1.137 5.157 11.052 1.00 70.05 H new ATOM 0 HB2 PHE A 78 0.980 2.719 10.194 1.00 24.53 H new ATOM 0 HB3 PHE A 78 2.358 3.096 9.179 1.00 24.53 H new ATOM 0 HD1 PHE A 78 4.582 3.525 10.196 1.00 31.22 H new ATOM 0 HD2 PHE A 78 1.223 2.467 12.599 1.00 44.31 H new ATOM 0 HE1 PHE A 78 6.086 2.995 12.064 1.00 35.35 H new ATOM 0 HE2 PHE A 78 2.728 1.933 14.466 1.00 33.41 H new ATOM 0 HZ PHE A 78 5.161 2.201 14.204 1.00 72.52 H new ATOM 1308 N VAL A 79 2.953 5.553 8.295 1.00 23.23 N ATOM 1309 CA VAL A 79 4.066 6.326 7.726 1.00 5.43 C ATOM 1310 C VAL A 79 3.797 7.838 7.762 1.00 31.20 C ATOM 1311 O VAL A 79 4.697 8.626 8.050 1.00 43.33 O ATOM 1312 CB VAL A 79 4.398 5.893 6.273 1.00 44.02 C ATOM 1313 CG1 VAL A 79 4.892 4.452 6.240 1.00 12.35 C ATOM 1314 CG2 VAL A 79 3.190 6.070 5.354 1.00 2.10 C ATOM 0 H VAL A 79 2.511 4.905 7.643 1.00 23.23 H new ATOM 0 HA VAL A 79 4.928 6.111 8.357 1.00 5.43 H new ATOM 0 HB VAL A 79 5.196 6.539 5.906 1.00 44.02 H new ATOM 0 HG11 VAL A 79 5.119 4.169 5.212 1.00 12.35 H new ATOM 0 HG12 VAL A 79 5.792 4.362 6.848 1.00 12.35 H new ATOM 0 HG13 VAL A 79 4.119 3.793 6.636 1.00 12.35 H new ATOM 0 HG21 VAL A 79 3.453 5.759 4.343 1.00 2.10 H new ATOM 0 HG22 VAL A 79 2.363 5.460 5.718 1.00 2.10 H new ATOM 0 HG23 VAL A 79 2.891 7.118 5.344 1.00 2.10 H new ATOM 1324 N LYS A 80 2.556 8.243 7.487 1.00 21.05 N ATOM 1325 CA LYS A 80 2.180 9.663 7.557 1.00 11.40 C ATOM 1326 C LYS A 80 2.315 10.198 8.993 1.00 25.31 C ATOM 1327 O LYS A 80 2.615 11.375 9.204 1.00 61.41 O ATOM 1328 CB LYS A 80 0.750 9.872 7.034 1.00 64.20 C ATOM 1329 CG LYS A 80 0.605 9.593 5.539 1.00 64.41 C ATOM 1330 CD LYS A 80 -0.819 9.835 5.040 1.00 44.31 C ATOM 1331 CE LYS A 80 -0.928 9.616 3.535 1.00 72.04 C ATOM 1332 NZ LYS A 80 -2.292 9.911 3.016 1.00 20.44 N ATOM 0 H LYS A 80 1.798 7.617 7.216 1.00 21.05 H new ATOM 0 HA LYS A 80 2.864 10.225 6.921 1.00 11.40 H new ATOM 0 HB2 LYS A 80 0.071 9.222 7.585 1.00 64.20 H new ATOM 0 HB3 LYS A 80 0.443 10.898 7.236 1.00 64.20 H new ATOM 0 HG2 LYS A 80 1.295 10.229 4.984 1.00 64.41 H new ATOM 0 HG3 LYS A 80 0.889 8.561 5.335 1.00 64.41 H new ATOM 0 HD2 LYS A 80 -1.506 9.165 5.557 1.00 44.31 H new ATOM 0 HD3 LYS A 80 -1.123 10.853 5.284 1.00 44.31 H new ATOM 0 HE2 LYS A 80 -0.203 10.250 3.025 1.00 72.04 H new ATOM 0 HE3 LYS A 80 -0.669 8.583 3.301 1.00 72.04 H new ATOM 0 HZ1 LYS A 80 -2.252 10.030 1.984 1.00 20.44 H new ATOM 0 HZ2 LYS A 80 -2.930 9.124 3.249 1.00 20.44 H new ATOM 0 HZ3 LYS A 80 -2.648 10.786 3.452 1.00 20.44 H new ATOM 1346 N GLY A 81 2.105 9.319 9.975 1.00 75.21 N ATOM 1347 CA GLY A 81 2.332 9.684 11.368 1.00 21.43 C ATOM 1348 C GLY A 81 3.804 9.959 11.661 1.00 52.40 C ATOM 1349 O GLY A 81 4.142 10.880 12.408 1.00 34.25 O ATOM 0 H GLY A 81 1.782 8.362 9.831 1.00 75.21 H new ATOM 0 HA2 GLY A 81 1.744 10.569 11.610 1.00 21.43 H new ATOM 0 HA3 GLY A 81 1.979 8.880 12.014 1.00 21.43 H new ATOM 1353 N ALA A 82 4.681 9.148 11.072 1.00 2.52 N ATOM 1354 CA ALA A 82 6.129 9.363 11.174 1.00 42.43 C ATOM 1355 C ALA A 82 6.554 10.659 10.459 1.00 44.40 C ATOM 1356 O ALA A 82 7.249 11.500 11.036 1.00 60.25 O ATOM 1357 CB ALA A 82 6.882 8.168 10.599 1.00 43.30 C ATOM 0 H ALA A 82 4.417 8.334 10.518 1.00 2.52 H new ATOM 0 HA ALA A 82 6.381 9.466 12.230 1.00 42.43 H new ATOM 0 HB1 ALA A 82 7.955 8.340 10.681 1.00 43.30 H new ATOM 0 HB2 ALA A 82 6.616 7.269 11.154 1.00 43.30 H new ATOM 0 HB3 ALA A 82 6.614 8.040 9.550 1.00 43.30 H new ATOM 1363 N VAL A 83 6.126 10.813 9.205 1.00 61.40 N ATOM 1364 CA VAL A 83 6.410 12.025 8.421 1.00 0.50 C ATOM 1365 C VAL A 83 5.936 13.293 9.154 1.00 54.23 C ATOM 1366 O VAL A 83 6.579 14.345 9.081 1.00 43.11 O ATOM 1367 CB VAL A 83 5.748 11.956 7.018 1.00 1.10 C ATOM 1368 CG1 VAL A 83 6.034 13.221 6.208 1.00 23.24 C ATOM 1369 CG2 VAL A 83 6.220 10.712 6.262 1.00 11.04 C ATOM 0 H VAL A 83 5.579 10.112 8.705 1.00 61.40 H new ATOM 0 HA VAL A 83 7.492 12.077 8.298 1.00 0.50 H new ATOM 0 HB VAL A 83 4.669 11.887 7.159 1.00 1.10 H new ATOM 0 HG11 VAL A 83 5.558 13.143 5.231 1.00 23.24 H new ATOM 0 HG12 VAL A 83 5.638 14.088 6.736 1.00 23.24 H new ATOM 0 HG13 VAL A 83 7.110 13.335 6.079 1.00 23.24 H new ATOM 0 HG21 VAL A 83 5.746 10.681 5.281 1.00 11.04 H new ATOM 0 HG22 VAL A 83 7.303 10.749 6.141 1.00 11.04 H new ATOM 0 HG23 VAL A 83 5.948 9.819 6.825 1.00 11.04 H new ATOM 1379 N ALA A 84 4.814 13.187 9.864 1.00 14.14 N ATOM 1380 CA ALA A 84 4.315 14.287 10.696 1.00 35.43 C ATOM 1381 C ALA A 84 5.344 14.692 11.767 1.00 2.31 C ATOM 1382 O ALA A 84 5.545 15.877 12.033 1.00 45.23 O ATOM 1383 CB ALA A 84 2.994 13.894 11.348 1.00 64.31 C ATOM 0 H ALA A 84 4.231 12.350 9.881 1.00 14.14 H new ATOM 0 HA ALA A 84 4.150 15.150 10.051 1.00 35.43 H new ATOM 0 HB1 ALA A 84 2.633 14.718 11.963 1.00 64.31 H new ATOM 0 HB2 ALA A 84 2.259 13.669 10.575 1.00 64.31 H new ATOM 0 HB3 ALA A 84 3.144 13.013 11.973 1.00 64.31 H new ATOM 1389 N ASN A 85 6.001 13.697 12.366 1.00 3.05 N ATOM 1390 CA ASN A 85 7.051 13.948 13.363 1.00 42.21 C ATOM 1391 C ASN A 85 8.304 14.552 12.706 1.00 30.21 C ATOM 1392 O ASN A 85 8.976 15.407 13.286 1.00 13.33 O ATOM 1393 CB ASN A 85 7.409 12.647 14.097 1.00 74.20 C ATOM 1394 CG ASN A 85 6.225 12.058 14.843 1.00 64.23 C ATOM 1395 OD1 ASN A 85 5.324 12.773 15.275 1.00 33.13 O ATOM 1396 ND2 ASN A 85 6.212 10.753 15.009 1.00 60.23 N ATOM 0 H ASN A 85 5.827 12.709 12.180 1.00 3.05 H new ATOM 0 HA ASN A 85 6.667 14.668 14.086 1.00 42.21 H new ATOM 0 HB2 ASN A 85 7.781 11.918 13.377 1.00 74.20 H new ATOM 0 HB3 ASN A 85 8.218 12.841 14.801 1.00 74.20 H new ATOM 0 HD21 ASN A 85 5.440 10.310 15.507 1.00 60.23 H new ATOM 0 HD22 ASN A 85 6.974 10.184 14.639 1.00 60.23 H new ATOM 1403 N ALA A 86 8.595 14.116 11.482 1.00 40.14 N ATOM 1404 CA ALA A 86 9.733 14.636 10.714 1.00 71.23 C ATOM 1405 C ALA A 86 9.641 16.157 10.496 1.00 53.40 C ATOM 1406 O ALA A 86 10.643 16.822 10.235 1.00 51.42 O ATOM 1407 CB ALA A 86 9.832 13.917 9.373 1.00 54.11 C ATOM 0 H ALA A 86 8.057 13.399 10.995 1.00 40.14 H new ATOM 0 HA ALA A 86 10.634 14.446 11.297 1.00 71.23 H new ATOM 0 HB1 ALA A 86 10.679 14.310 8.811 1.00 54.11 H new ATOM 0 HB2 ALA A 86 9.973 12.849 9.542 1.00 54.11 H new ATOM 0 HB3 ALA A 86 8.915 14.077 8.806 1.00 54.11 H new ATOM 1413 N ALA A 87 8.431 16.704 10.604 1.00 33.31 N ATOM 1414 CA ALA A 87 8.208 18.143 10.422 1.00 31.22 C ATOM 1415 C ALA A 87 8.843 18.990 11.547 1.00 1.45 C ATOM 1416 O ALA A 87 8.787 20.220 11.508 1.00 14.42 O ATOM 1417 CB ALA A 87 6.713 18.429 10.320 1.00 43.43 C ATOM 0 H ALA A 87 7.586 16.173 10.817 1.00 33.31 H new ATOM 0 HA ALA A 87 8.701 18.432 9.494 1.00 31.22 H new ATOM 0 HB1 ALA A 87 6.556 19.499 10.185 1.00 43.43 H new ATOM 0 HB2 ALA A 87 6.297 17.891 9.468 1.00 43.43 H new ATOM 0 HB3 ALA A 87 6.217 18.102 11.234 1.00 43.43 H new ATOM 1423 N CYS A 88 9.425 18.333 12.554 1.00 51.44 N ATOM 1424 CA CYS A 88 10.104 19.037 13.656 1.00 32.32 C ATOM 1425 C CYS A 88 11.636 19.015 13.494 1.00 52.31 C ATOM 1426 O CYS A 88 12.365 19.548 14.332 1.00 2.44 O ATOM 1427 CB CYS A 88 9.725 18.403 15.001 1.00 23.02 C ATOM 1428 SG CYS A 88 10.485 19.196 16.442 1.00 30.34 S ATOM 0 H CYS A 88 9.442 17.316 12.633 1.00 51.44 H new ATOM 0 HA CYS A 88 9.775 20.076 13.629 1.00 32.32 H new ATOM 0 HB2 CYS A 88 8.641 18.437 15.112 1.00 23.02 H new ATOM 0 HB3 CYS A 88 10.011 17.351 14.987 1.00 23.02 H new ATOM 0 HG CYS A 88 11.623 19.722 16.098 1.00 30.34 H new ATOM 1434 N LEU A 89 12.120 18.407 12.412 1.00 1.22 N ATOM 1435 CA LEU A 89 13.567 18.274 12.178 1.00 51.14 C ATOM 1436 C LEU A 89 14.202 19.604 11.718 1.00 51.45 C ATOM 1437 O LEU A 89 13.548 20.418 11.062 1.00 71.02 O ATOM 1438 CB LEU A 89 13.830 17.173 11.140 1.00 34.02 C ATOM 1439 CG LEU A 89 13.392 15.759 11.563 1.00 44.55 C ATOM 1440 CD1 LEU A 89 13.607 14.764 10.429 1.00 21.05 C ATOM 1441 CD2 LEU A 89 14.133 15.312 12.825 1.00 60.43 C ATOM 0 H LEU A 89 11.537 17.998 11.682 1.00 1.22 H new ATOM 0 HA LEU A 89 14.033 18.001 13.125 1.00 51.14 H new ATOM 0 HB2 LEU A 89 13.314 17.435 10.216 1.00 34.02 H new ATOM 0 HB3 LEU A 89 14.896 17.154 10.915 1.00 34.02 H new ATOM 0 HG LEU A 89 12.326 15.790 11.790 1.00 44.55 H new ATOM 0 HD11 LEU A 89 13.291 13.772 10.751 1.00 21.05 H new ATOM 0 HD12 LEU A 89 13.021 15.068 9.562 1.00 21.05 H new ATOM 0 HD13 LEU A 89 14.664 14.739 10.162 1.00 21.05 H new ATOM 0 HD21 LEU A 89 13.806 14.310 13.103 1.00 60.43 H new ATOM 0 HD22 LEU A 89 15.206 15.303 12.633 1.00 60.43 H new ATOM 0 HD23 LEU A 89 13.916 16.004 13.639 1.00 60.43 H new ATOM 1453 N PRO A 90 15.494 19.838 12.063 1.00 24.25 N ATOM 1454 CA PRO A 90 16.217 21.075 11.691 1.00 44.24 C ATOM 1455 C PRO A 90 16.146 21.401 10.186 1.00 13.33 C ATOM 1456 O PRO A 90 15.811 22.527 9.798 1.00 74.42 O ATOM 1457 CB PRO A 90 17.664 20.781 12.114 1.00 41.43 C ATOM 1458 CG PRO A 90 17.539 19.781 13.212 1.00 23.32 C ATOM 1459 CD PRO A 90 16.347 18.927 12.856 1.00 74.54 C ATOM 0 HA PRO A 90 15.780 21.949 12.173 1.00 44.24 H new ATOM 0 HB2 PRO A 90 18.248 20.386 11.282 1.00 41.43 H new ATOM 0 HB3 PRO A 90 18.168 21.685 12.456 1.00 41.43 H new ATOM 0 HG2 PRO A 90 18.442 19.177 13.295 1.00 23.32 H new ATOM 0 HG3 PRO A 90 17.395 20.273 14.174 1.00 23.32 H new ATOM 0 HD2 PRO A 90 16.640 18.049 12.280 1.00 74.54 H new ATOM 0 HD3 PRO A 90 15.831 18.567 13.746 1.00 74.54 H new ATOM 1467 N GLU A 91 16.475 20.423 9.339 1.00 44.31 N ATOM 1468 CA GLU A 91 16.364 20.593 7.883 1.00 72.42 C ATOM 1469 C GLU A 91 15.137 19.840 7.339 1.00 3.20 C ATOM 1470 O GLU A 91 14.894 18.677 7.682 1.00 74.33 O ATOM 1471 CB GLU A 91 17.650 20.124 7.174 1.00 11.41 C ATOM 1472 CG GLU A 91 17.894 18.621 7.242 1.00 42.43 C ATOM 1473 CD GLU A 91 19.207 18.195 6.601 1.00 2.33 C ATOM 1474 OE1 GLU A 91 19.505 18.649 5.474 1.00 11.34 O ATOM 1475 OE2 GLU A 91 19.939 17.383 7.210 1.00 11.12 O ATOM 0 H GLU A 91 16.819 19.508 9.631 1.00 44.31 H new ATOM 0 HA GLU A 91 16.233 21.655 7.676 1.00 72.42 H new ATOM 0 HB2 GLU A 91 17.604 20.425 6.127 1.00 11.41 H new ATOM 0 HB3 GLU A 91 18.503 20.639 7.617 1.00 11.41 H new ATOM 0 HG2 GLU A 91 17.888 18.306 8.285 1.00 42.43 H new ATOM 0 HG3 GLU A 91 17.072 18.104 6.748 1.00 42.43 H new ATOM 1482 N LEU A 92 14.370 20.513 6.484 1.00 54.43 N ATOM 1483 CA LEU A 92 13.124 19.958 5.939 1.00 51.33 C ATOM 1484 C LEU A 92 13.422 18.852 4.908 1.00 51.13 C ATOM 1485 O LEU A 92 12.566 18.019 4.611 1.00 4.24 O ATOM 1486 CB LEU A 92 12.299 21.109 5.317 1.00 31.11 C ATOM 1487 CG LEU A 92 10.778 20.882 5.151 1.00 35.02 C ATOM 1488 CD1 LEU A 92 10.463 19.921 4.007 1.00 53.54 C ATOM 1489 CD2 LEU A 92 10.160 20.389 6.460 1.00 4.21 C ATOM 0 H LEU A 92 14.588 21.451 6.149 1.00 54.43 H new ATOM 0 HA LEU A 92 12.544 19.496 6.738 1.00 51.33 H new ATOM 0 HB2 LEU A 92 12.442 21.997 5.932 1.00 31.11 H new ATOM 0 HB3 LEU A 92 12.716 21.331 4.335 1.00 31.11 H new ATOM 0 HG LEU A 92 10.333 21.843 4.895 1.00 35.02 H new ATOM 0 HD11 LEU A 92 9.384 19.791 3.927 1.00 53.54 H new ATOM 0 HD12 LEU A 92 10.849 20.328 3.073 1.00 53.54 H new ATOM 0 HD13 LEU A 92 10.931 18.956 4.203 1.00 53.54 H new ATOM 0 HD21 LEU A 92 9.090 20.235 6.322 1.00 4.21 H new ATOM 0 HD22 LEU A 92 10.627 19.448 6.751 1.00 4.21 H new ATOM 0 HD23 LEU A 92 10.322 21.132 7.241 1.00 4.21 H new ATOM 1501 N ILE A 93 14.660 18.828 4.408 1.00 54.30 N ATOM 1502 CA ILE A 93 15.086 17.882 3.360 1.00 44.41 C ATOM 1503 C ILE A 93 14.595 16.442 3.610 1.00 53.32 C ATOM 1504 O ILE A 93 13.931 15.853 2.757 1.00 4.00 O ATOM 1505 CB ILE A 93 16.628 17.867 3.218 1.00 52.55 C ATOM 1506 CG1 ILE A 93 17.162 19.292 2.980 1.00 52.42 C ATOM 1507 CG2 ILE A 93 17.059 16.926 2.092 1.00 42.33 C ATOM 1508 CD1 ILE A 93 16.568 19.983 1.770 1.00 30.43 C ATOM 0 H ILE A 93 15.399 19.461 4.714 1.00 54.30 H new ATOM 0 HA ILE A 93 14.627 18.239 2.438 1.00 44.41 H new ATOM 0 HB ILE A 93 17.056 17.495 4.149 1.00 52.55 H new ATOM 0 HG12 ILE A 93 16.961 19.896 3.865 1.00 52.42 H new ATOM 0 HG13 ILE A 93 18.245 19.248 2.864 1.00 52.42 H new ATOM 0 HG21 ILE A 93 18.146 16.931 2.010 1.00 42.33 H new ATOM 0 HG22 ILE A 93 16.716 15.915 2.312 1.00 42.33 H new ATOM 0 HG23 ILE A 93 16.622 17.261 1.151 1.00 42.33 H new ATOM 0 HD11 ILE A 93 16.997 20.981 1.674 1.00 30.43 H new ATOM 0 HD12 ILE A 93 16.792 19.404 0.874 1.00 30.43 H new ATOM 0 HD13 ILE A 93 15.488 20.062 1.890 1.00 30.43 H new ATOM 1520 N LEU A 94 14.915 15.877 4.775 1.00 31.05 N ATOM 1521 CA LEU A 94 14.484 14.513 5.111 1.00 11.33 C ATOM 1522 C LEU A 94 12.952 14.381 5.059 1.00 13.45 C ATOM 1523 O LEU A 94 12.420 13.395 4.545 1.00 30.45 O ATOM 1524 CB LEU A 94 15.012 14.109 6.497 1.00 13.22 C ATOM 1525 CG LEU A 94 14.596 12.707 6.987 1.00 33.24 C ATOM 1526 CD1 LEU A 94 14.948 11.634 5.959 1.00 62.02 C ATOM 1527 CD2 LEU A 94 15.242 12.390 8.335 1.00 33.42 C ATOM 0 H LEU A 94 15.467 16.336 5.499 1.00 31.05 H new ATOM 0 HA LEU A 94 14.903 13.837 4.366 1.00 11.33 H new ATOM 0 HB2 LEU A 94 16.101 14.160 6.480 1.00 13.22 H new ATOM 0 HB3 LEU A 94 14.670 14.845 7.225 1.00 13.22 H new ATOM 0 HG LEU A 94 13.513 12.708 7.114 1.00 33.24 H new ATOM 0 HD11 LEU A 94 14.642 10.657 6.334 1.00 62.02 H new ATOM 0 HD12 LEU A 94 14.429 11.842 5.023 1.00 62.02 H new ATOM 0 HD13 LEU A 94 16.024 11.636 5.785 1.00 62.02 H new ATOM 0 HD21 LEU A 94 14.935 11.396 8.661 1.00 33.42 H new ATOM 0 HD22 LEU A 94 16.327 12.419 8.234 1.00 33.42 H new ATOM 0 HD23 LEU A 94 14.926 13.128 9.072 1.00 33.42 H new ATOM 1539 N HIS A 95 12.249 15.389 5.576 1.00 62.01 N ATOM 1540 CA HIS A 95 10.783 15.420 5.522 1.00 13.23 C ATOM 1541 C HIS A 95 10.287 15.459 4.066 1.00 1.55 C ATOM 1542 O HIS A 95 9.237 14.902 3.738 1.00 24.41 O ATOM 1543 CB HIS A 95 10.250 16.638 6.288 1.00 54.33 C ATOM 1544 CG HIS A 95 8.752 16.746 6.300 1.00 44.33 C ATOM 1545 ND1 HIS A 95 8.030 17.465 5.363 1.00 35.44 N ATOM 1546 CD2 HIS A 95 7.838 16.224 7.148 1.00 72.03 C ATOM 1547 CE1 HIS A 95 6.744 17.379 5.642 1.00 70.01 C ATOM 1548 NE2 HIS A 95 6.603 16.634 6.715 1.00 4.01 N ATOM 0 H HIS A 95 12.669 16.196 6.037 1.00 62.01 H new ATOM 0 HA HIS A 95 10.407 14.510 5.990 1.00 13.23 H new ATOM 0 HB2 HIS A 95 10.609 16.593 7.316 1.00 54.33 H new ATOM 0 HB3 HIS A 95 10.666 17.543 5.845 1.00 54.33 H new ATOM 0 HD2 HIS A 95 8.042 15.601 8.006 1.00 72.03 H new ATOM 0 HE1 HIS A 95 5.944 17.842 5.084 1.00 70.01 H new ATOM 0 HE2 HIS A 95 5.714 16.398 7.157 1.00 4.01 H new ATOM 1557 N ASN A 96 11.049 16.127 3.204 1.00 21.04 N ATOM 1558 CA ASN A 96 10.719 16.231 1.781 1.00 4.33 C ATOM 1559 C ASN A 96 10.930 14.886 1.062 1.00 44.22 C ATOM 1560 O ASN A 96 10.068 14.427 0.314 1.00 71.41 O ATOM 1561 CB ASN A 96 11.576 17.325 1.126 1.00 75.43 C ATOM 1562 CG ASN A 96 11.208 17.574 -0.327 1.00 75.52 C ATOM 1563 OD1 ASN A 96 10.054 17.447 -0.719 1.00 50.13 O ATOM 1564 ND2 ASN A 96 12.182 17.930 -1.139 1.00 31.11 N ATOM 0 H ASN A 96 11.908 16.610 3.468 1.00 21.04 H new ATOM 0 HA ASN A 96 9.666 16.497 1.691 1.00 4.33 H new ATOM 0 HB2 ASN A 96 11.464 18.252 1.688 1.00 75.43 H new ATOM 0 HB3 ASN A 96 12.627 17.041 1.186 1.00 75.43 H new ATOM 0 HD21 ASN A 96 11.985 18.108 -2.124 1.00 31.11 H new ATOM 0 HD22 ASN A 96 13.133 18.027 -0.783 1.00 31.11 H new ATOM 1571 N LYS A 97 12.074 14.253 1.305 1.00 2.12 N ATOM 1572 CA LYS A 97 12.397 12.968 0.673 1.00 32.32 C ATOM 1573 C LYS A 97 11.352 11.889 0.995 1.00 35.54 C ATOM 1574 O LYS A 97 10.795 11.270 0.087 1.00 41.44 O ATOM 1575 CB LYS A 97 13.793 12.496 1.099 1.00 15.41 C ATOM 1576 CG LYS A 97 14.920 13.368 0.558 1.00 44.25 C ATOM 1577 CD LYS A 97 16.292 12.830 0.950 1.00 12.22 C ATOM 1578 CE LYS A 97 17.417 13.621 0.293 1.00 14.23 C ATOM 1579 NZ LYS A 97 17.360 13.538 -1.192 1.00 64.42 N ATOM 0 H LYS A 97 12.796 14.605 1.934 1.00 2.12 H new ATOM 0 HA LYS A 97 12.386 13.126 -0.405 1.00 32.32 H new ATOM 0 HB2 LYS A 97 13.846 12.481 2.188 1.00 15.41 H new ATOM 0 HB3 LYS A 97 13.941 11.471 0.758 1.00 15.41 H new ATOM 0 HG2 LYS A 97 14.848 13.422 -0.528 1.00 44.25 H new ATOM 0 HG3 LYS A 97 14.807 14.384 0.936 1.00 44.25 H new ATOM 0 HD2 LYS A 97 16.403 12.871 2.034 1.00 12.22 H new ATOM 0 HD3 LYS A 97 16.368 11.782 0.661 1.00 12.22 H new ATOM 0 HE2 LYS A 97 17.355 14.665 0.601 1.00 14.23 H new ATOM 0 HE3 LYS A 97 18.378 13.243 0.641 1.00 14.23 H new ATOM 0 HZ1 LYS A 97 18.274 13.831 -1.591 1.00 64.42 H new ATOM 0 HZ2 LYS A 97 17.156 12.559 -1.477 1.00 64.42 H new ATOM 0 HZ3 LYS A 97 16.610 14.166 -1.546 1.00 64.42 H new ATOM 1593 N MET A 98 11.076 11.682 2.286 1.00 2.44 N ATOM 1594 CA MET A 98 10.104 10.659 2.708 1.00 74.30 C ATOM 1595 C MET A 98 8.718 10.878 2.070 1.00 11.20 C ATOM 1596 O MET A 98 8.110 9.940 1.559 1.00 62.23 O ATOM 1597 CB MET A 98 9.972 10.618 4.241 1.00 21.04 C ATOM 1598 CG MET A 98 9.674 11.968 4.880 1.00 12.44 C ATOM 1599 SD MET A 98 9.282 11.848 6.637 1.00 4.55 S ATOM 1600 CE MET A 98 10.625 10.826 7.229 1.00 4.01 C ATOM 0 H MET A 98 11.505 12.201 3.053 1.00 2.44 H new ATOM 0 HA MET A 98 10.488 9.701 2.358 1.00 74.30 H new ATOM 0 HB2 MET A 98 9.178 9.920 4.507 1.00 21.04 H new ATOM 0 HB3 MET A 98 10.897 10.225 4.663 1.00 21.04 H new ATOM 0 HG2 MET A 98 10.536 12.623 4.750 1.00 12.44 H new ATOM 0 HG3 MET A 98 8.838 12.434 4.358 1.00 12.44 H new ATOM 0 HE1 MET A 98 10.618 10.812 8.319 1.00 4.01 H new ATOM 0 HE2 MET A 98 10.503 9.811 6.852 1.00 4.01 H new ATOM 0 HE3 MET A 98 11.573 11.232 6.877 1.00 4.01 H new ATOM 1610 N LYS A 99 8.223 12.120 2.088 1.00 23.01 N ATOM 1611 CA LYS A 99 6.895 12.412 1.529 1.00 3.15 C ATOM 1612 C LYS A 99 6.874 12.209 0.004 1.00 73.35 C ATOM 1613 O LYS A 99 5.896 11.702 -0.541 1.00 32.45 O ATOM 1614 CB LYS A 99 6.433 13.836 1.889 1.00 75.13 C ATOM 1615 CG LYS A 99 7.250 14.947 1.244 1.00 22.41 C ATOM 1616 CD LYS A 99 6.751 16.333 1.641 1.00 31.55 C ATOM 1617 CE LYS A 99 5.322 16.595 1.168 1.00 12.20 C ATOM 1618 NZ LYS A 99 4.872 17.974 1.501 1.00 14.24 N ATOM 0 H LYS A 99 8.710 12.928 2.476 1.00 23.01 H new ATOM 0 HA LYS A 99 6.195 11.707 1.977 1.00 3.15 H new ATOM 0 HB2 LYS A 99 5.390 13.951 1.594 1.00 75.13 H new ATOM 0 HB3 LYS A 99 6.473 13.955 2.972 1.00 75.13 H new ATOM 0 HG2 LYS A 99 8.296 14.842 1.534 1.00 22.41 H new ATOM 0 HG3 LYS A 99 7.208 14.844 0.160 1.00 22.41 H new ATOM 0 HD2 LYS A 99 6.797 16.436 2.725 1.00 31.55 H new ATOM 0 HD3 LYS A 99 7.414 17.089 1.221 1.00 31.55 H new ATOM 0 HE2 LYS A 99 5.263 16.444 0.090 1.00 12.20 H new ATOM 0 HE3 LYS A 99 4.649 15.872 1.629 1.00 12.20 H new ATOM 0 HZ1 LYS A 99 3.898 18.112 1.164 1.00 14.24 H new ATOM 0 HZ2 LYS A 99 4.904 18.110 2.532 1.00 14.24 H new ATOM 0 HZ3 LYS A 99 5.499 18.664 1.041 1.00 14.24 H new ATOM 1632 N ARG A 100 7.964 12.582 -0.680 1.00 72.51 N ATOM 1633 CA ARG A 100 8.053 12.406 -2.135 1.00 53.20 C ATOM 1634 C ARG A 100 8.086 10.918 -2.518 1.00 64.52 C ATOM 1635 O ARG A 100 7.417 10.501 -3.464 1.00 11.21 O ATOM 1636 CB ARG A 100 9.276 13.133 -2.710 1.00 23.23 C ATOM 1637 CG ARG A 100 9.212 14.652 -2.551 1.00 21.10 C ATOM 1638 CD ARG A 100 10.324 15.356 -3.322 1.00 74.11 C ATOM 1639 NE ARG A 100 10.184 15.172 -4.765 1.00 73.22 N ATOM 1640 CZ ARG A 100 10.661 15.987 -5.667 1.00 73.43 C ATOM 1641 NH1 ARG A 100 11.354 17.027 -5.322 1.00 64.45 N ATOM 1642 NH2 ARG A 100 10.442 15.754 -6.921 1.00 75.13 N ATOM 0 H ARG A 100 8.789 13.004 -0.254 1.00 72.51 H new ATOM 0 HA ARG A 100 7.157 12.849 -2.569 1.00 53.20 H new ATOM 0 HB2 ARG A 100 10.175 12.761 -2.217 1.00 23.23 H new ATOM 0 HB3 ARG A 100 9.369 12.890 -3.768 1.00 23.23 H new ATOM 0 HG2 ARG A 100 8.245 15.012 -2.901 1.00 21.10 H new ATOM 0 HG3 ARG A 100 9.285 14.909 -1.494 1.00 21.10 H new ATOM 0 HD2 ARG A 100 10.311 16.421 -3.088 1.00 74.11 H new ATOM 0 HD3 ARG A 100 11.291 14.971 -2.998 1.00 74.11 H new ATOM 0 HE ARG A 100 9.678 14.349 -5.091 1.00 73.22 H new ATOM 0 HH11 ARG A 100 11.532 17.217 -4.336 1.00 64.45 H new ATOM 0 HH12 ARG A 100 11.721 17.655 -6.037 1.00 64.45 H new ATOM 0 HH21 ARG A 100 9.899 14.937 -7.201 1.00 75.13 H new ATOM 0 HH22 ARG A 100 10.812 16.387 -7.630 1.00 75.13 H new ATOM 1656 N GLU A 101 8.858 10.117 -1.781 1.00 62.24 N ATOM 1657 CA GLU A 101 8.841 8.660 -1.973 1.00 44.53 C ATOM 1658 C GLU A 101 7.441 8.104 -1.679 1.00 0.44 C ATOM 1659 O GLU A 101 6.953 7.202 -2.364 1.00 44.21 O ATOM 1660 CB GLU A 101 9.877 7.968 -1.069 1.00 42.41 C ATOM 1661 CG GLU A 101 11.319 8.381 -1.344 1.00 1.40 C ATOM 1662 CD GLU A 101 12.329 7.543 -0.571 1.00 40.30 C ATOM 1663 OE1 GLU A 101 12.618 7.873 0.601 1.00 3.41 O ATOM 1664 OE2 GLU A 101 12.842 6.550 -1.138 1.00 1.12 O ATOM 0 H GLU A 101 9.495 10.443 -1.055 1.00 62.24 H new ATOM 0 HA GLU A 101 9.101 8.455 -3.012 1.00 44.53 H new ATOM 0 HB2 GLU A 101 9.640 8.188 -0.028 1.00 42.41 H new ATOM 0 HB3 GLU A 101 9.789 6.889 -1.194 1.00 42.41 H new ATOM 0 HG2 GLU A 101 11.521 8.292 -2.411 1.00 1.40 H new ATOM 0 HG3 GLU A 101 11.448 9.431 -1.082 1.00 1.40 H new ATOM 1671 N LEU A 102 6.796 8.667 -0.659 1.00 73.41 N ATOM 1672 CA LEU A 102 5.426 8.295 -0.298 1.00 31.33 C ATOM 1673 C LEU A 102 4.432 8.666 -1.410 1.00 71.10 C ATOM 1674 O LEU A 102 3.404 8.011 -1.572 1.00 41.21 O ATOM 1675 CB LEU A 102 5.027 8.977 1.018 1.00 4.44 C ATOM 1676 CG LEU A 102 3.640 8.596 1.571 1.00 1.04 C ATOM 1677 CD1 LEU A 102 3.558 7.097 1.844 1.00 55.21 C ATOM 1678 CD2 LEU A 102 3.326 9.397 2.834 1.00 13.35 C ATOM 0 H LEU A 102 7.202 9.388 -0.063 1.00 73.41 H new ATOM 0 HA LEU A 102 5.393 7.213 -0.168 1.00 31.33 H new ATOM 0 HB2 LEU A 102 5.777 8.739 1.772 1.00 4.44 H new ATOM 0 HB3 LEU A 102 5.056 10.057 0.870 1.00 4.44 H new ATOM 0 HG LEU A 102 2.892 8.842 0.817 1.00 1.04 H new ATOM 0 HD11 LEU A 102 2.570 6.852 2.234 1.00 55.21 H new ATOM 0 HD12 LEU A 102 3.729 6.549 0.918 1.00 55.21 H new ATOM 0 HD13 LEU A 102 4.316 6.818 2.576 1.00 55.21 H new ATOM 0 HD21 LEU A 102 2.343 9.114 3.209 1.00 13.35 H new ATOM 0 HD22 LEU A 102 4.079 9.188 3.594 1.00 13.35 H new ATOM 0 HD23 LEU A 102 3.332 10.462 2.601 1.00 13.35 H new ATOM 1690 N GLN A 103 4.744 9.707 -2.188 1.00 32.44 N ATOM 1691 CA GLN A 103 3.866 10.132 -3.288 1.00 53.42 C ATOM 1692 C GLN A 103 3.766 9.053 -4.367 1.00 64.02 C ATOM 1693 O GLN A 103 2.755 8.947 -5.049 1.00 35.34 O ATOM 1694 CB GLN A 103 4.339 11.462 -3.900 1.00 74.13 C ATOM 1695 CG GLN A 103 4.309 12.627 -2.917 1.00 24.03 C ATOM 1696 CD GLN A 103 2.979 12.743 -2.191 1.00 54.21 C ATOM 1697 OE1 GLN A 103 2.081 13.463 -2.614 1.00 51.23 O ATOM 1698 NE2 GLN A 103 2.835 12.012 -1.102 1.00 23.42 N ATOM 0 H GLN A 103 5.589 10.268 -2.080 1.00 32.44 H new ATOM 0 HA GLN A 103 2.872 10.286 -2.867 1.00 53.42 H new ATOM 0 HB2 GLN A 103 5.355 11.339 -4.275 1.00 74.13 H new ATOM 0 HB3 GLN A 103 3.710 11.703 -4.757 1.00 74.13 H new ATOM 0 HG2 GLN A 103 5.108 12.502 -2.186 1.00 24.03 H new ATOM 0 HG3 GLN A 103 4.509 13.555 -3.453 1.00 24.03 H new ATOM 0 HE21 GLN A 103 3.602 11.424 -0.777 1.00 23.42 H new ATOM 0 HE22 GLN A 103 1.956 12.035 -0.585 1.00 23.42 H new ATOM 1707 N ARG A 104 4.818 8.252 -4.514 1.00 44.41 N ATOM 1708 CA ARG A 104 4.767 7.078 -5.390 1.00 54.11 C ATOM 1709 C ARG A 104 3.769 6.044 -4.845 1.00 72.42 C ATOM 1710 O ARG A 104 2.965 5.482 -5.587 1.00 43.04 O ATOM 1711 CB ARG A 104 6.159 6.446 -5.518 1.00 33.44 C ATOM 1712 CG ARG A 104 7.152 7.261 -6.345 1.00 63.34 C ATOM 1713 CD ARG A 104 6.787 7.280 -7.834 1.00 71.01 C ATOM 1714 NE ARG A 104 5.809 8.319 -8.163 1.00 64.14 N ATOM 1715 CZ ARG A 104 4.662 8.106 -8.758 1.00 65.15 C ATOM 1716 NH1 ARG A 104 4.241 6.903 -8.991 1.00 70.32 N ATOM 1717 NH2 ARG A 104 3.921 9.106 -9.096 1.00 62.13 N ATOM 0 H ARG A 104 5.712 8.390 -4.043 1.00 44.41 H new ATOM 0 HA ARG A 104 4.434 7.400 -6.377 1.00 54.11 H new ATOM 0 HB2 ARG A 104 6.571 6.300 -4.519 1.00 33.44 H new ATOM 0 HB3 ARG A 104 6.056 5.458 -5.968 1.00 33.44 H new ATOM 0 HG2 ARG A 104 7.184 8.283 -5.967 1.00 63.34 H new ATOM 0 HG3 ARG A 104 8.152 6.845 -6.223 1.00 63.34 H new ATOM 0 HD2 ARG A 104 7.690 7.437 -8.423 1.00 71.01 H new ATOM 0 HD3 ARG A 104 6.387 6.307 -8.118 1.00 71.01 H new ATOM 0 HE ARG A 104 6.038 9.280 -7.910 1.00 64.14 H new ATOM 0 HH11 ARG A 104 4.806 6.102 -8.710 1.00 70.32 H new ATOM 0 HH12 ARG A 104 3.345 6.757 -9.456 1.00 70.32 H new ATOM 0 HH21 ARG A 104 4.229 10.058 -8.900 1.00 62.13 H new ATOM 0 HH22 ARG A 104 3.027 8.945 -9.560 1.00 62.13 H new ATOM 1731 N VAL A 105 3.823 5.812 -3.537 1.00 72.34 N ATOM 1732 CA VAL A 105 2.909 4.875 -2.875 1.00 74.24 C ATOM 1733 C VAL A 105 1.451 5.374 -2.932 1.00 54.13 C ATOM 1734 O VAL A 105 0.527 4.598 -3.192 1.00 62.22 O ATOM 1735 CB VAL A 105 3.323 4.647 -1.399 1.00 21.44 C ATOM 1736 CG1 VAL A 105 2.400 3.643 -0.714 1.00 71.25 C ATOM 1737 CG2 VAL A 105 4.778 4.188 -1.314 1.00 34.54 C ATOM 0 H VAL A 105 4.491 6.259 -2.909 1.00 72.34 H new ATOM 0 HA VAL A 105 2.973 3.929 -3.413 1.00 74.24 H new ATOM 0 HB VAL A 105 3.229 5.598 -0.874 1.00 21.44 H new ATOM 0 HG11 VAL A 105 2.716 3.504 0.320 1.00 71.25 H new ATOM 0 HG12 VAL A 105 1.377 4.018 -0.733 1.00 71.25 H new ATOM 0 HG13 VAL A 105 2.447 2.689 -1.239 1.00 71.25 H new ATOM 0 HG21 VAL A 105 5.050 4.033 -0.270 1.00 34.54 H new ATOM 0 HG22 VAL A 105 4.897 3.254 -1.863 1.00 34.54 H new ATOM 0 HG23 VAL A 105 5.426 4.949 -1.749 1.00 34.54 H new ATOM 1747 N GLU A 106 1.252 6.673 -2.699 1.00 71.52 N ATOM 1748 CA GLU A 106 -0.087 7.274 -2.754 1.00 25.13 C ATOM 1749 C GLU A 106 -0.612 7.352 -4.197 1.00 30.24 C ATOM 1750 O GLU A 106 -1.778 7.062 -4.453 1.00 1.13 O ATOM 1751 CB GLU A 106 -0.091 8.671 -2.112 1.00 35.01 C ATOM 1752 CG GLU A 106 0.229 8.668 -0.617 1.00 33.32 C ATOM 1753 CD GLU A 106 -0.212 9.948 0.080 1.00 1.24 C ATOM 1754 OE1 GLU A 106 -1.425 10.079 0.363 1.00 25.42 O ATOM 1755 OE2 GLU A 106 0.638 10.823 0.350 1.00 70.22 O ATOM 0 H GLU A 106 1.998 7.330 -2.471 1.00 71.52 H new ATOM 0 HA GLU A 106 -0.755 6.627 -2.185 1.00 25.13 H new ATOM 0 HB2 GLU A 106 0.636 9.299 -2.628 1.00 35.01 H new ATOM 0 HB3 GLU A 106 -1.070 9.126 -2.263 1.00 35.01 H new ATOM 0 HG2 GLU A 106 -0.261 7.815 -0.146 1.00 33.32 H new ATOM 0 HG3 GLU A 106 1.302 8.535 -0.479 1.00 33.32 H new ATOM 1762 N ASP A 107 0.253 7.750 -5.134 1.00 40.31 N ATOM 1763 CA ASP A 107 -0.092 7.734 -6.566 1.00 41.01 C ATOM 1764 C ASP A 107 -0.547 6.332 -6.999 1.00 62.53 C ATOM 1765 O ASP A 107 -1.527 6.175 -7.728 1.00 10.33 O ATOM 1766 CB ASP A 107 1.109 8.190 -7.402 1.00 33.22 C ATOM 1767 CG ASP A 107 0.870 8.088 -8.899 1.00 11.45 C ATOM 1768 OD1 ASP A 107 0.056 8.868 -9.437 1.00 42.43 O ATOM 1769 OD2 ASP A 107 1.524 7.250 -9.555 1.00 53.41 O ATOM 0 H ASP A 107 1.194 8.087 -4.932 1.00 40.31 H new ATOM 0 HA ASP A 107 -0.918 8.426 -6.732 1.00 41.01 H new ATOM 0 HB2 ASP A 107 1.349 9.223 -7.148 1.00 33.22 H new ATOM 0 HB3 ASP A 107 1.978 7.587 -7.137 1.00 33.22 H new ATOM 1774 N SER A 108 0.167 5.314 -6.533 1.00 60.33 N ATOM 1775 CA SER A 108 -0.233 3.922 -6.759 1.00 23.14 C ATOM 1776 C SER A 108 -1.599 3.641 -6.112 1.00 64.40 C ATOM 1777 O SER A 108 -2.530 3.189 -6.770 1.00 45.00 O ATOM 1778 CB SER A 108 0.818 2.959 -6.187 1.00 11.14 C ATOM 1779 OG SER A 108 2.102 3.195 -6.749 1.00 52.42 O ATOM 0 H SER A 108 1.027 5.422 -5.995 1.00 60.33 H new ATOM 0 HA SER A 108 -0.311 3.763 -7.835 1.00 23.14 H new ATOM 0 HB2 SER A 108 0.867 3.074 -5.104 1.00 11.14 H new ATOM 0 HB3 SER A 108 0.517 1.930 -6.385 1.00 11.14 H new ATOM 0 HG SER A 108 2.430 4.071 -6.458 1.00 52.42 H new ATOM 1785 N HIS A 109 -1.718 3.949 -4.820 1.00 3.34 N ATOM 1786 CA HIS A 109 -2.943 3.676 -4.050 1.00 53.00 C ATOM 1787 C HIS A 109 -4.185 4.355 -4.654 1.00 31.23 C ATOM 1788 O HIS A 109 -5.261 3.763 -4.694 1.00 32.23 O ATOM 1789 CB HIS A 109 -2.751 4.128 -2.595 1.00 4.13 C ATOM 1790 CG HIS A 109 -3.911 3.828 -1.687 1.00 21.15 C ATOM 1791 ND1 HIS A 109 -4.421 2.563 -1.498 1.00 40.51 N ATOM 1792 CD2 HIS A 109 -4.641 4.641 -0.888 1.00 63.24 C ATOM 1793 CE1 HIS A 109 -5.402 2.611 -0.622 1.00 44.34 C ATOM 1794 NE2 HIS A 109 -5.563 3.859 -0.235 1.00 64.21 N ATOM 0 H HIS A 109 -0.977 4.392 -4.277 1.00 3.34 H new ATOM 0 HA HIS A 109 -3.118 2.601 -4.087 1.00 53.00 H new ATOM 0 HB2 HIS A 109 -1.859 3.647 -2.194 1.00 4.13 H new ATOM 0 HB3 HIS A 109 -2.566 5.202 -2.584 1.00 4.13 H new ATOM 0 HD2 HIS A 109 -4.521 5.709 -0.783 1.00 63.24 H new ATOM 0 HE1 HIS A 109 -5.980 1.766 -0.277 1.00 44.34 H new ATOM 0 HE2 HIS A 109 -6.256 4.190 0.437 1.00 64.21 H new ATOM 1803 N GLN A 110 -4.040 5.595 -5.120 1.00 65.52 N ATOM 1804 CA GLN A 110 -5.177 6.330 -5.685 1.00 23.43 C ATOM 1805 C GLN A 110 -5.669 5.698 -6.997 1.00 22.43 C ATOM 1806 O GLN A 110 -6.875 5.561 -7.205 1.00 60.23 O ATOM 1807 CB GLN A 110 -4.839 7.816 -5.899 1.00 72.43 C ATOM 1808 CG GLN A 110 -3.760 8.083 -6.944 1.00 41.01 C ATOM 1809 CD GLN A 110 -3.511 9.566 -7.164 1.00 43.44 C ATOM 1810 OE1 GLN A 110 -2.610 10.146 -6.394 1.00 42.41 O flip ATOM 1811 NE2 GLN A 110 -4.135 10.193 -8.016 1.00 23.55 N flip ATOM 0 H GLN A 110 -3.159 6.109 -5.119 1.00 65.52 H new ATOM 0 HA GLN A 110 -5.986 6.266 -4.957 1.00 23.43 H new ATOM 0 HB2 GLN A 110 -5.747 8.342 -6.193 1.00 72.43 H new ATOM 0 HB3 GLN A 110 -4.517 8.241 -4.948 1.00 72.43 H new ATOM 0 HG2 GLN A 110 -2.831 7.605 -6.632 1.00 41.01 H new ATOM 0 HG3 GLN A 110 -4.053 7.624 -7.888 1.00 41.01 H new ATOM 0 HE21 GLN A 110 -4.825 9.716 -8.596 1.00 23.55 H new ATOM 0 HE22 GLN A 110 -3.963 11.190 -8.143 1.00 23.55 H new ATOM 1820 N ILE A 111 -4.747 5.297 -7.879 1.00 3.21 N ATOM 1821 CA ILE A 111 -5.147 4.655 -9.139 1.00 4.52 C ATOM 1822 C ILE A 111 -5.676 3.232 -8.888 1.00 62.25 C ATOM 1823 O ILE A 111 -6.561 2.757 -9.600 1.00 14.42 O ATOM 1824 CB ILE A 111 -4.001 4.622 -10.191 1.00 50.41 C ATOM 1825 CG1 ILE A 111 -2.841 3.725 -9.733 1.00 72.50 C ATOM 1826 CG2 ILE A 111 -3.505 6.039 -10.475 1.00 13.54 C ATOM 1827 CD1 ILE A 111 -1.745 3.569 -10.769 1.00 53.21 C ATOM 0 H ILE A 111 -3.741 5.401 -7.750 1.00 3.21 H new ATOM 0 HA ILE A 111 -5.947 5.268 -9.554 1.00 4.52 H new ATOM 0 HB ILE A 111 -4.402 4.196 -11.111 1.00 50.41 H new ATOM 0 HG12 ILE A 111 -2.411 4.140 -8.822 1.00 72.50 H new ATOM 0 HG13 ILE A 111 -3.233 2.740 -9.481 1.00 72.50 H new ATOM 0 HG21 ILE A 111 -2.703 6.003 -11.213 1.00 13.54 H new ATOM 0 HG22 ILE A 111 -4.327 6.642 -10.862 1.00 13.54 H new ATOM 0 HG23 ILE A 111 -3.131 6.485 -9.554 1.00 13.54 H new ATOM 0 HD11 ILE A 111 -0.961 2.923 -10.375 1.00 53.21 H new ATOM 0 HD12 ILE A 111 -2.160 3.125 -11.674 1.00 53.21 H new ATOM 0 HD13 ILE A 111 -1.325 4.547 -11.004 1.00 53.21 H new ATOM 1839 N LEU A 112 -5.146 2.564 -7.860 1.00 61.34 N ATOM 1840 CA LEU A 112 -5.685 1.269 -7.420 1.00 24.14 C ATOM 1841 C LEU A 112 -7.128 1.434 -6.918 1.00 10.20 C ATOM 1842 O LEU A 112 -8.025 0.674 -7.284 1.00 42.52 O ATOM 1843 CB LEU A 112 -4.816 0.667 -6.303 1.00 34.23 C ATOM 1844 CG LEU A 112 -3.364 0.335 -6.689 1.00 24.14 C ATOM 1845 CD1 LEU A 112 -2.593 -0.197 -5.483 1.00 33.52 C ATOM 1846 CD2 LEU A 112 -3.320 -0.664 -7.843 1.00 14.23 C ATOM 0 H LEU A 112 -4.348 2.894 -7.317 1.00 61.34 H new ATOM 0 HA LEU A 112 -5.677 0.592 -8.274 1.00 24.14 H new ATOM 0 HB2 LEU A 112 -4.799 1.365 -5.466 1.00 34.23 H new ATOM 0 HB3 LEU A 112 -5.295 -0.245 -5.948 1.00 34.23 H new ATOM 0 HG LEU A 112 -2.884 1.255 -7.022 1.00 24.14 H new ATOM 0 HD11 LEU A 112 -1.569 -0.426 -5.778 1.00 33.52 H new ATOM 0 HD12 LEU A 112 -2.584 0.557 -4.695 1.00 33.52 H new ATOM 0 HD13 LEU A 112 -3.075 -1.102 -5.114 1.00 33.52 H new ATOM 0 HD21 LEU A 112 -2.282 -0.882 -8.096 1.00 14.23 H new ATOM 0 HD22 LEU A 112 -3.822 -1.585 -7.546 1.00 14.23 H new ATOM 0 HD23 LEU A 112 -3.824 -0.239 -8.711 1.00 14.23 H new ATOM 1858 N SER A 113 -7.335 2.450 -6.082 1.00 42.31 N ATOM 1859 CA SER A 113 -8.662 2.767 -5.536 1.00 71.23 C ATOM 1860 C SER A 113 -9.672 3.105 -6.639 1.00 43.54 C ATOM 1861 O SER A 113 -10.776 2.565 -6.661 1.00 43.42 O ATOM 1862 CB SER A 113 -8.569 3.945 -4.553 1.00 1.54 C ATOM 1863 OG SER A 113 -9.847 4.293 -4.027 1.00 21.33 O ATOM 0 H SER A 113 -6.595 3.076 -5.763 1.00 42.31 H new ATOM 0 HA SER A 113 -9.014 1.877 -5.015 1.00 71.23 H new ATOM 0 HB2 SER A 113 -7.897 3.685 -3.735 1.00 1.54 H new ATOM 0 HB3 SER A 113 -8.136 4.808 -5.059 1.00 1.54 H new ATOM 0 HG SER A 113 -9.751 5.044 -3.405 1.00 21.33 H new ATOM 1869 N GLN A 114 -9.295 3.996 -7.555 1.00 72.00 N ATOM 1870 CA GLN A 114 -10.206 4.434 -8.623 1.00 14.42 C ATOM 1871 C GLN A 114 -10.552 3.297 -9.598 1.00 61.23 C ATOM 1872 O GLN A 114 -11.685 3.211 -10.076 1.00 4.13 O ATOM 1873 CB GLN A 114 -9.618 5.627 -9.387 1.00 25.21 C ATOM 1874 CG GLN A 114 -9.388 6.860 -8.518 1.00 61.15 C ATOM 1875 CD GLN A 114 -10.632 7.294 -7.749 1.00 41.20 C ATOM 1876 OE1 GLN A 114 -11.760 7.109 -8.195 1.00 23.01 O ATOM 1877 NE2 GLN A 114 -10.435 7.876 -6.583 1.00 65.43 N ATOM 0 H GLN A 114 -8.372 4.429 -7.583 1.00 72.00 H new ATOM 0 HA GLN A 114 -11.133 4.743 -8.139 1.00 14.42 H new ATOM 0 HB2 GLN A 114 -8.671 5.328 -9.836 1.00 25.21 H new ATOM 0 HB3 GLN A 114 -10.289 5.890 -10.205 1.00 25.21 H new ATOM 0 HG2 GLN A 114 -8.585 6.653 -7.810 1.00 61.15 H new ATOM 0 HG3 GLN A 114 -9.053 7.684 -9.149 1.00 61.15 H new ATOM 0 HE21 GLN A 114 -9.486 8.017 -6.237 1.00 65.43 H new ATOM 0 HE22 GLN A 114 -11.232 8.186 -6.026 1.00 65.43 H new ATOM 1886 N THR A 115 -9.583 2.429 -9.896 1.00 14.14 N ATOM 1887 CA THR A 115 -9.839 1.253 -10.748 1.00 12.33 C ATOM 1888 C THR A 115 -10.749 0.249 -10.033 1.00 53.02 C ATOM 1889 O THR A 115 -11.818 -0.098 -10.534 1.00 12.33 O ATOM 1890 CB THR A 115 -8.533 0.534 -11.170 1.00 23.32 C ATOM 1891 OG1 THR A 115 -7.770 0.179 -10.010 1.00 42.53 O ATOM 1892 CG2 THR A 115 -7.688 1.412 -12.090 1.00 43.33 C ATOM 0 H THR A 115 -8.621 2.511 -9.567 1.00 14.14 H new ATOM 0 HA THR A 115 -10.330 1.627 -11.646 1.00 12.33 H new ATOM 0 HB THR A 115 -8.810 -0.368 -11.716 1.00 23.32 H new ATOM 0 HG1 THR A 115 -7.274 0.962 -9.692 1.00 42.53 H new ATOM 0 HG21 THR A 115 -6.779 0.879 -12.368 1.00 43.33 H new ATOM 0 HG22 THR A 115 -8.257 1.651 -12.988 1.00 43.33 H new ATOM 0 HG23 THR A 115 -7.424 2.334 -11.572 1.00 43.33 H new ATOM 1900 N SER A 116 -10.325 -0.203 -8.852 1.00 30.12 N ATOM 1901 CA SER A 116 -11.140 -1.109 -8.019 1.00 4.22 C ATOM 1902 C SER A 116 -12.566 -0.566 -7.822 1.00 72.52 C ATOM 1903 O SER A 116 -13.552 -1.298 -7.942 1.00 10.04 O ATOM 1904 CB SER A 116 -10.474 -1.312 -6.650 1.00 20.44 C ATOM 1905 OG SER A 116 -11.261 -2.138 -5.804 1.00 55.02 O ATOM 0 H SER A 116 -9.422 0.040 -8.444 1.00 30.12 H new ATOM 0 HA SER A 116 -11.207 -2.064 -8.540 1.00 4.22 H new ATOM 0 HB2 SER A 116 -9.490 -1.762 -6.786 1.00 20.44 H new ATOM 0 HB3 SER A 116 -10.319 -0.344 -6.173 1.00 20.44 H new ATOM 0 HG SER A 116 -10.809 -2.248 -4.942 1.00 55.02 H new ATOM 1911 N HIS A 117 -12.665 0.731 -7.529 1.00 40.23 N ATOM 1912 CA HIS A 117 -13.962 1.394 -7.363 1.00 54.24 C ATOM 1913 C HIS A 117 -14.780 1.323 -8.655 1.00 54.00 C ATOM 1914 O HIS A 117 -15.945 0.937 -8.643 1.00 45.40 O ATOM 1915 CB HIS A 117 -13.762 2.861 -6.964 1.00 34.42 C ATOM 1916 CG HIS A 117 -15.018 3.541 -6.520 1.00 61.32 C ATOM 1917 ND1 HIS A 117 -15.824 4.282 -7.358 1.00 50.11 N ATOM 1918 CD2 HIS A 117 -15.601 3.594 -5.304 1.00 12.12 C ATOM 1919 CE1 HIS A 117 -16.843 4.760 -6.672 1.00 55.20 C ATOM 1920 NE2 HIS A 117 -16.733 4.357 -5.424 1.00 24.14 N ATOM 0 H HIS A 117 -11.861 1.346 -7.401 1.00 40.23 H new ATOM 0 HA HIS A 117 -14.506 0.875 -6.574 1.00 54.24 H new ATOM 0 HB2 HIS A 117 -13.028 2.913 -6.160 1.00 34.42 H new ATOM 0 HB3 HIS A 117 -13.345 3.405 -7.812 1.00 34.42 H new ATOM 0 HD1 HIS A 117 -15.658 4.436 -8.353 1.00 50.11 H new ATOM 0 HD2 HIS A 117 -15.241 3.122 -4.402 1.00 12.12 H new ATOM 0 HE1 HIS A 117 -17.635 5.378 -7.068 1.00 55.20 H new ATOM 1929 N ASP A 118 -14.148 1.694 -9.764 1.00 30.13 N ATOM 1930 CA ASP A 118 -14.794 1.688 -11.079 1.00 1.44 C ATOM 1931 C ASP A 118 -15.339 0.291 -11.422 1.00 4.10 C ATOM 1932 O ASP A 118 -16.468 0.145 -11.898 1.00 33.31 O ATOM 1933 CB ASP A 118 -13.789 2.146 -12.141 1.00 65.13 C ATOM 1934 CG ASP A 118 -14.457 2.565 -13.436 1.00 40.30 C ATOM 1935 OD1 ASP A 118 -14.722 1.696 -14.289 1.00 12.41 O ATOM 1936 OD2 ASP A 118 -14.725 3.779 -13.602 1.00 64.01 O ATOM 0 H ASP A 118 -13.177 2.007 -9.781 1.00 30.13 H new ATOM 0 HA ASP A 118 -15.639 2.376 -11.058 1.00 1.44 H new ATOM 0 HB2 ASP A 118 -13.208 2.981 -11.750 1.00 65.13 H new ATOM 0 HB3 ASP A 118 -13.087 1.337 -12.344 1.00 65.13 H new ATOM 1941 N LEU A 119 -14.530 -0.735 -11.164 1.00 52.41 N ATOM 1942 CA LEU A 119 -14.952 -2.123 -11.363 1.00 60.30 C ATOM 1943 C LEU A 119 -16.157 -2.461 -10.470 1.00 12.22 C ATOM 1944 O LEU A 119 -17.075 -3.165 -10.885 1.00 24.44 O ATOM 1945 CB LEU A 119 -13.789 -3.084 -11.074 1.00 70.32 C ATOM 1946 CG LEU A 119 -12.536 -2.879 -11.945 1.00 22.05 C ATOM 1947 CD1 LEU A 119 -11.450 -3.891 -11.585 1.00 52.24 C ATOM 1948 CD2 LEU A 119 -12.884 -2.960 -13.430 1.00 73.22 C ATOM 0 H LEU A 119 -13.577 -0.632 -10.816 1.00 52.41 H new ATOM 0 HA LEU A 119 -15.253 -2.241 -12.404 1.00 60.30 H new ATOM 0 HB2 LEU A 119 -13.505 -2.980 -10.027 1.00 70.32 H new ATOM 0 HB3 LEU A 119 -14.142 -4.106 -11.209 1.00 70.32 H new ATOM 0 HG LEU A 119 -12.147 -1.881 -11.744 1.00 22.05 H new ATOM 0 HD11 LEU A 119 -10.575 -3.725 -12.214 1.00 52.24 H new ATOM 0 HD12 LEU A 119 -11.172 -3.770 -10.538 1.00 52.24 H new ATOM 0 HD13 LEU A 119 -11.826 -4.901 -11.746 1.00 52.24 H new ATOM 0 HD21 LEU A 119 -11.982 -2.812 -14.024 1.00 73.22 H new ATOM 0 HD22 LEU A 119 -13.307 -3.940 -13.652 1.00 73.22 H new ATOM 0 HD23 LEU A 119 -13.611 -2.186 -13.676 1.00 73.22 H new ATOM 1960 N ASN A 120 -16.157 -1.937 -9.245 1.00 65.15 N ATOM 1961 CA ASN A 120 -17.291 -2.110 -8.335 1.00 72.43 C ATOM 1962 C ASN A 120 -18.518 -1.328 -8.838 1.00 5.43 C ATOM 1963 O ASN A 120 -19.660 -1.740 -8.637 1.00 53.41 O ATOM 1964 CB ASN A 120 -16.907 -1.666 -6.917 1.00 2.32 C ATOM 1965 CG ASN A 120 -18.019 -1.903 -5.912 1.00 34.24 C ATOM 1966 OD1 ASN A 120 -18.141 -2.983 -5.346 1.00 1.04 O ATOM 1967 ND2 ASN A 120 -18.830 -0.891 -5.669 1.00 60.42 N ATOM 0 H ASN A 120 -15.387 -1.390 -8.859 1.00 65.15 H new ATOM 0 HA ASN A 120 -17.554 -3.167 -8.307 1.00 72.43 H new ATOM 0 HB2 ASN A 120 -16.014 -2.206 -6.600 1.00 2.32 H new ATOM 0 HB3 ASN A 120 -16.652 -0.606 -6.928 1.00 2.32 H new ATOM 0 HD21 ASN A 120 -19.586 -0.995 -4.992 1.00 60.42 H new ATOM 0 HD22 ASN A 120 -18.701 -0.005 -6.158 1.00 60.42 H new ATOM 1974 N GLU A 121 -18.268 -0.206 -9.516 1.00 53.11 N ATOM 1975 CA GLU A 121 -19.343 0.605 -10.098 1.00 0.03 C ATOM 1976 C GLU A 121 -19.992 -0.103 -11.295 1.00 1.34 C ATOM 1977 O GLU A 121 -21.177 0.091 -11.573 1.00 12.15 O ATOM 1978 CB GLU A 121 -18.816 1.984 -10.521 1.00 11.41 C ATOM 1979 CG GLU A 121 -18.273 2.806 -9.360 1.00 74.10 C ATOM 1980 CD GLU A 121 -17.992 4.249 -9.740 1.00 4.12 C ATOM 1981 OE1 GLU A 121 -18.952 5.045 -9.786 1.00 3.41 O ATOM 1982 OE2 GLU A 121 -16.812 4.593 -9.978 1.00 24.13 O ATOM 0 H GLU A 121 -17.331 0.163 -9.676 1.00 53.11 H new ATOM 0 HA GLU A 121 -20.104 0.740 -9.330 1.00 0.03 H new ATOM 0 HB2 GLU A 121 -18.028 1.852 -11.263 1.00 11.41 H new ATOM 0 HB3 GLU A 121 -19.620 2.539 -11.005 1.00 11.41 H new ATOM 0 HG2 GLU A 121 -18.990 2.784 -8.539 1.00 74.10 H new ATOM 0 HG3 GLU A 121 -17.355 2.346 -8.994 1.00 74.10 H new ATOM 1989 N CYS A 122 -19.211 -0.917 -12.003 1.00 52.23 N ATOM 1990 CA CYS A 122 -19.747 -1.754 -13.086 1.00 24.25 C ATOM 1991 C CYS A 122 -20.140 -3.145 -12.558 1.00 51.53 C ATOM 1992 O CYS A 122 -20.414 -4.062 -13.335 1.00 23.55 O ATOM 1993 CB CYS A 122 -18.725 -1.890 -14.223 1.00 71.43 C ATOM 1994 SG CYS A 122 -17.180 -2.708 -13.751 1.00 64.21 S ATOM 0 H CYS A 122 -18.208 -1.018 -11.850 1.00 52.23 H new ATOM 0 HA CYS A 122 -20.640 -1.266 -13.477 1.00 24.25 H new ATOM 0 HB2 CYS A 122 -19.182 -2.448 -15.040 1.00 71.43 H new ATOM 0 HB3 CYS A 122 -18.493 -0.896 -14.606 1.00 71.43 H new ATOM 0 HG CYS A 122 -17.275 -3.142 -12.529 1.00 64.21 H new ATOM 2000 N SER A 123 -20.159 -3.286 -11.226 1.00 4.44 N ATOM 2001 CA SER A 123 -20.599 -4.525 -10.556 1.00 31.33 C ATOM 2002 C SER A 123 -19.699 -5.726 -10.895 1.00 11.01 C ATOM 2003 O SER A 123 -20.085 -6.875 -10.675 1.00 2.42 O ATOM 2004 CB SER A 123 -22.065 -4.840 -10.921 1.00 71.31 C ATOM 2005 OG SER A 123 -22.536 -6.031 -10.298 1.00 64.00 O ATOM 0 H SER A 123 -19.872 -2.550 -10.581 1.00 4.44 H new ATOM 0 HA SER A 123 -20.520 -4.354 -9.482 1.00 31.33 H new ATOM 0 HB2 SER A 123 -22.698 -4.004 -10.625 1.00 71.31 H new ATOM 0 HB3 SER A 123 -22.154 -4.940 -12.003 1.00 71.31 H new ATOM 0 HG SER A 123 -21.837 -6.717 -10.334 1.00 64.00 H new ATOM 2011 N TRP A 124 -18.491 -5.454 -11.404 1.00 60.24 N ATOM 2012 CA TRP A 124 -17.569 -6.516 -11.841 1.00 3.22 C ATOM 2013 C TRP A 124 -18.243 -7.424 -12.883 1.00 22.34 C ATOM 2014 O TRP A 124 -17.980 -8.627 -12.949 1.00 43.43 O ATOM 2015 CB TRP A 124 -17.082 -7.343 -10.634 1.00 53.44 C ATOM 2016 CG TRP A 124 -16.168 -6.586 -9.710 1.00 31.31 C ATOM 2017 CD1 TRP A 124 -16.524 -5.628 -8.805 1.00 24.25 C ATOM 2018 CD2 TRP A 124 -14.747 -6.732 -9.601 1.00 24.32 C ATOM 2019 NE1 TRP A 124 -15.411 -5.166 -8.146 1.00 54.42 N ATOM 2020 CE2 TRP A 124 -14.308 -5.828 -8.614 1.00 75.21 C ATOM 2021 CE3 TRP A 124 -13.802 -7.538 -10.242 1.00 41.20 C ATOM 2022 CZ2 TRP A 124 -12.968 -5.709 -8.254 1.00 72.04 C ATOM 2023 CZ3 TRP A 124 -12.472 -7.419 -9.885 1.00 71.33 C ATOM 2024 CH2 TRP A 124 -12.065 -6.510 -8.898 1.00 52.24 C ATOM 0 H TRP A 124 -18.127 -4.509 -11.524 1.00 60.24 H new ATOM 0 HA TRP A 124 -16.702 -6.046 -12.306 1.00 3.22 H new ATOM 0 HB2 TRP A 124 -17.948 -7.690 -10.070 1.00 53.44 H new ATOM 0 HB3 TRP A 124 -16.563 -8.229 -10.998 1.00 53.44 H new ATOM 0 HD1 TRP A 124 -17.533 -5.284 -8.632 1.00 24.25 H new ATOM 0 HE1 TRP A 124 -15.407 -4.446 -7.424 1.00 54.42 H new ATOM 0 HE3 TRP A 124 -14.106 -8.242 -11.003 1.00 41.20 H new ATOM 0 HZ2 TRP A 124 -12.653 -5.010 -7.494 1.00 72.04 H new ATOM 0 HZ3 TRP A 124 -11.734 -8.037 -10.375 1.00 71.33 H new ATOM 0 HH2 TRP A 124 -11.018 -6.441 -8.641 1.00 52.24 H new ATOM 2035 N SER A 125 -19.107 -6.829 -13.703 1.00 11.34 N ATOM 2036 CA SER A 125 -19.865 -7.575 -14.714 1.00 54.22 C ATOM 2037 C SER A 125 -18.944 -8.233 -15.747 1.00 42.23 C ATOM 2038 O SER A 125 -18.160 -7.561 -16.427 1.00 13.42 O ATOM 2039 CB SER A 125 -20.872 -6.657 -15.425 1.00 54.35 C ATOM 2040 OG SER A 125 -21.835 -6.142 -14.518 1.00 74.41 O ATOM 0 H SER A 125 -19.302 -5.828 -13.689 1.00 11.34 H new ATOM 0 HA SER A 125 -20.405 -8.365 -14.191 1.00 54.22 H new ATOM 0 HB2 SER A 125 -20.341 -5.833 -15.901 1.00 54.35 H new ATOM 0 HB3 SER A 125 -21.376 -7.212 -16.217 1.00 54.35 H new ATOM 0 HG SER A 125 -21.455 -5.377 -14.037 1.00 74.41 H new ATOM 2046 N LEU A 126 -19.067 -9.553 -15.878 1.00 24.41 N ATOM 2047 CA LEU A 126 -18.236 -10.336 -16.800 1.00 30.35 C ATOM 2048 C LEU A 126 -18.387 -9.838 -18.245 1.00 30.41 C ATOM 2049 O LEU A 126 -17.479 -9.995 -19.059 1.00 53.44 O ATOM 2050 CB LEU A 126 -18.607 -11.829 -16.725 1.00 62.24 C ATOM 2051 CG LEU A 126 -18.158 -12.582 -15.456 1.00 72.02 C ATOM 2052 CD1 LEU A 126 -16.640 -12.557 -15.320 1.00 53.45 C ATOM 2053 CD2 LEU A 126 -18.825 -12.010 -14.205 1.00 23.24 C ATOM 0 H LEU A 126 -19.741 -10.110 -15.353 1.00 24.41 H new ATOM 0 HA LEU A 126 -17.197 -10.208 -16.497 1.00 30.35 H new ATOM 0 HB2 LEU A 126 -19.690 -11.917 -16.810 1.00 62.24 H new ATOM 0 HB3 LEU A 126 -18.178 -12.332 -17.591 1.00 62.24 H new ATOM 0 HG LEU A 126 -18.475 -13.620 -15.556 1.00 72.02 H new ATOM 0 HD11 LEU A 126 -16.347 -13.094 -14.418 1.00 53.45 H new ATOM 0 HD12 LEU A 126 -16.189 -13.035 -16.190 1.00 53.45 H new ATOM 0 HD13 LEU A 126 -16.297 -11.524 -15.255 1.00 53.45 H new ATOM 0 HD21 LEU A 126 -18.488 -12.562 -13.328 1.00 23.24 H new ATOM 0 HD22 LEU A 126 -18.556 -10.959 -14.098 1.00 23.24 H new ATOM 0 HD23 LEU A 126 -19.907 -12.100 -14.296 1.00 23.24 H new ATOM 2065 N ASN A 127 -19.539 -9.236 -18.541 1.00 23.25 N ATOM 2066 CA ASN A 127 -19.837 -8.692 -19.876 1.00 31.25 C ATOM 2067 C ASN A 127 -18.747 -7.719 -20.367 1.00 61.22 C ATOM 2068 O ASN A 127 -18.499 -7.603 -21.565 1.00 44.03 O ATOM 2069 CB ASN A 127 -21.194 -7.971 -19.854 1.00 11.42 C ATOM 2070 CG ASN A 127 -22.307 -8.839 -19.294 1.00 21.41 C ATOM 2071 OD1 ASN A 127 -22.293 -10.057 -19.434 1.00 42.32 O ATOM 2072 ND2 ASN A 127 -23.280 -8.220 -18.656 1.00 31.53 N ATOM 0 H ASN A 127 -20.294 -9.109 -17.867 1.00 23.25 H new ATOM 0 HA ASN A 127 -19.868 -9.533 -20.569 1.00 31.25 H new ATOM 0 HB2 ASN A 127 -21.110 -7.064 -19.256 1.00 11.42 H new ATOM 0 HB3 ASN A 127 -21.454 -7.662 -20.867 1.00 11.42 H new ATOM 0 HD21 ASN A 127 -24.053 -8.756 -18.261 1.00 31.53 H new ATOM 0 HD22 ASN A 127 -23.261 -7.205 -18.558 1.00 31.53 H new ATOM 2079 N ILE A 128 -18.109 -7.013 -19.432 1.00 55.04 N ATOM 2080 CA ILE A 128 -17.052 -6.048 -19.773 1.00 44.41 C ATOM 2081 C ILE A 128 -15.651 -6.654 -19.575 1.00 73.31 C ATOM 2082 O ILE A 128 -14.747 -6.442 -20.388 1.00 62.34 O ATOM 2083 CB ILE A 128 -17.154 -4.742 -18.929 1.00 74.23 C ATOM 2084 CG1 ILE A 128 -18.515 -4.041 -19.133 1.00 4.30 C ATOM 2085 CG2 ILE A 128 -16.007 -3.784 -19.277 1.00 72.05 C ATOM 2086 CD1 ILE A 128 -19.690 -4.736 -18.470 1.00 54.20 C ATOM 0 H ILE A 128 -18.302 -7.088 -18.433 1.00 55.04 H new ATOM 0 HA ILE A 128 -17.199 -5.801 -20.824 1.00 44.41 H new ATOM 0 HB ILE A 128 -17.074 -5.022 -17.879 1.00 74.23 H new ATOM 0 HG12 ILE A 128 -18.446 -3.024 -18.747 1.00 4.30 H new ATOM 0 HG13 ILE A 128 -18.712 -3.963 -20.202 1.00 4.30 H new ATOM 0 HG21 ILE A 128 -16.095 -2.878 -18.678 1.00 72.05 H new ATOM 0 HG22 ILE A 128 -15.053 -4.267 -19.066 1.00 72.05 H new ATOM 0 HG23 ILE A 128 -16.057 -3.526 -20.335 1.00 72.05 H new ATOM 0 HD11 ILE A 128 -20.603 -4.174 -18.666 1.00 54.20 H new ATOM 0 HD12 ILE A 128 -19.791 -5.744 -18.872 1.00 54.20 H new ATOM 0 HD13 ILE A 128 -19.521 -4.790 -17.395 1.00 54.20 H new ATOM 2098 N LEU A 129 -15.479 -7.406 -18.486 1.00 1.43 N ATOM 2099 CA LEU A 129 -14.166 -7.954 -18.119 1.00 75.45 C ATOM 2100 C LEU A 129 -13.797 -9.207 -18.935 1.00 70.11 C ATOM 2101 O LEU A 129 -12.798 -9.217 -19.653 1.00 61.13 O ATOM 2102 CB LEU A 129 -14.140 -8.282 -16.618 1.00 74.03 C ATOM 2103 CG LEU A 129 -14.492 -7.109 -15.684 1.00 41.32 C ATOM 2104 CD1 LEU A 129 -14.441 -7.542 -14.222 1.00 73.52 C ATOM 2105 CD2 LEU A 129 -13.562 -5.920 -15.928 1.00 52.44 C ATOM 0 H LEU A 129 -16.230 -7.651 -17.841 1.00 1.43 H new ATOM 0 HA LEU A 129 -13.423 -7.191 -18.349 1.00 75.45 H new ATOM 0 HB2 LEU A 129 -14.837 -9.098 -16.429 1.00 74.03 H new ATOM 0 HB3 LEU A 129 -13.146 -8.646 -16.359 1.00 74.03 H new ATOM 0 HG LEU A 129 -15.511 -6.795 -15.909 1.00 41.32 H new ATOM 0 HD11 LEU A 129 -14.693 -6.696 -13.583 1.00 73.52 H new ATOM 0 HD12 LEU A 129 -15.156 -8.348 -14.056 1.00 73.52 H new ATOM 0 HD13 LEU A 129 -13.437 -7.892 -13.981 1.00 73.52 H new ATOM 0 HD21 LEU A 129 -13.830 -5.104 -15.257 1.00 52.44 H new ATOM 0 HD22 LEU A 129 -12.531 -6.220 -15.740 1.00 52.44 H new ATOM 0 HD23 LEU A 129 -13.661 -5.587 -16.961 1.00 52.44 H new ATOM 2117 N ALA A 130 -14.608 -10.259 -18.819 1.00 0.41 N ATOM 2118 CA ALA A 130 -14.325 -11.537 -19.486 1.00 44.14 C ATOM 2119 C ALA A 130 -14.787 -11.528 -20.949 1.00 74.24 C ATOM 2120 O ALA A 130 -14.035 -11.885 -21.858 1.00 14.24 O ATOM 2121 CB ALA A 130 -14.990 -12.674 -18.721 1.00 23.32 C ATOM 0 H ALA A 130 -15.467 -10.254 -18.270 1.00 0.41 H new ATOM 0 HA ALA A 130 -13.245 -11.687 -19.489 1.00 44.14 H new ATOM 0 HB1 ALA A 130 -14.778 -13.620 -19.219 1.00 23.32 H new ATOM 0 HB2 ALA A 130 -14.601 -12.704 -17.703 1.00 23.32 H new ATOM 0 HB3 ALA A 130 -16.068 -12.512 -18.693 1.00 23.32 H new ATOM 2272 N ASP A 140 -8.551 -1.096 -16.883 1.00 44.21 N ATOM 2273 CA ASP A 140 -8.462 -0.840 -15.440 1.00 31.43 C ATOM 2274 C ASP A 140 -8.042 -2.107 -14.657 1.00 23.24 C ATOM 2275 O ASP A 140 -7.384 -2.018 -13.615 1.00 42.42 O ATOM 2276 CB ASP A 140 -9.798 -0.304 -14.908 1.00 0.44 C ATOM 2277 CG ASP A 140 -10.104 1.095 -15.417 1.00 5.31 C ATOM 2278 OD1 ASP A 140 -10.648 1.226 -16.537 1.00 61.51 O ATOM 2279 OD2 ASP A 140 -9.794 2.075 -14.707 1.00 75.10 O ATOM 0 HA ASP A 140 -7.690 -0.086 -15.288 1.00 31.43 H new ATOM 0 HB2 ASP A 140 -10.601 -0.979 -15.204 1.00 0.44 H new ATOM 0 HB3 ASP A 140 -9.775 -0.294 -13.818 1.00 0.44 H new ATOM 2284 N LEU A 141 -8.407 -3.285 -15.179 1.00 22.11 N ATOM 2285 CA LEU A 141 -8.259 -4.554 -14.441 1.00 21.41 C ATOM 2286 C LEU A 141 -6.787 -4.965 -14.236 1.00 24.54 C ATOM 2287 O LEU A 141 -6.328 -5.111 -13.101 1.00 70.41 O ATOM 2288 CB LEU A 141 -9.017 -5.673 -15.177 1.00 31.54 C ATOM 2289 CG LEU A 141 -8.990 -7.054 -14.496 1.00 4.55 C ATOM 2290 CD1 LEU A 141 -9.641 -6.996 -13.114 1.00 32.30 C ATOM 2291 CD2 LEU A 141 -9.674 -8.100 -15.377 1.00 15.35 C ATOM 0 H LEU A 141 -8.808 -3.390 -16.111 1.00 22.11 H new ATOM 0 HA LEU A 141 -8.683 -4.397 -13.449 1.00 21.41 H new ATOM 0 HB2 LEU A 141 -10.056 -5.366 -15.295 1.00 31.54 H new ATOM 0 HB3 LEU A 141 -8.598 -5.773 -16.178 1.00 31.54 H new ATOM 0 HG LEU A 141 -7.949 -7.347 -14.362 1.00 4.55 H new ATOM 0 HD11 LEU A 141 -9.609 -7.984 -12.655 1.00 32.30 H new ATOM 0 HD12 LEU A 141 -9.101 -6.287 -12.487 1.00 32.30 H new ATOM 0 HD13 LEU A 141 -10.678 -6.676 -13.214 1.00 32.30 H new ATOM 0 HD21 LEU A 141 -9.645 -9.070 -14.880 1.00 15.35 H new ATOM 0 HD22 LEU A 141 -10.711 -7.810 -15.548 1.00 15.35 H new ATOM 0 HD23 LEU A 141 -9.154 -8.167 -16.333 1.00 15.35 H new ATOM 2303 N ASP A 142 -6.042 -5.135 -15.326 1.00 42.44 N ATOM 2304 CA ASP A 142 -4.632 -5.528 -15.233 1.00 12.13 C ATOM 2305 C ASP A 142 -3.776 -4.336 -14.768 1.00 21.45 C ATOM 2306 O ASP A 142 -2.694 -4.511 -14.202 1.00 31.13 O ATOM 2307 CB ASP A 142 -4.143 -6.074 -16.584 1.00 73.42 C ATOM 2308 CG ASP A 142 -2.704 -6.566 -16.537 1.00 41.23 C ATOM 2309 OD1 ASP A 142 -2.467 -7.704 -16.071 1.00 23.04 O ATOM 2310 OD2 ASP A 142 -1.799 -5.821 -16.972 1.00 23.23 O ATOM 0 H ASP A 142 -6.385 -5.009 -16.278 1.00 42.44 H new ATOM 0 HA ASP A 142 -4.531 -6.322 -14.493 1.00 12.13 H new ATOM 0 HB2 ASP A 142 -4.792 -6.893 -16.896 1.00 73.42 H new ATOM 0 HB3 ASP A 142 -4.230 -5.293 -17.339 1.00 73.42 H new ATOM 2315 N ARG A 143 -4.279 -3.123 -15.005 1.00 54.03 N ATOM 2316 CA ARG A 143 -3.653 -1.904 -14.485 1.00 50.53 C ATOM 2317 C ARG A 143 -3.482 -1.989 -12.963 1.00 62.53 C ATOM 2318 O ARG A 143 -2.436 -1.628 -12.420 1.00 63.32 O ATOM 2319 CB ARG A 143 -4.506 -0.681 -14.839 1.00 10.43 C ATOM 2320 CG ARG A 143 -3.877 0.657 -14.453 1.00 2.12 C ATOM 2321 CD ARG A 143 -4.853 1.812 -14.652 1.00 43.32 C ATOM 2322 NE ARG A 143 -5.497 1.782 -15.968 1.00 3.12 N ATOM 2323 CZ ARG A 143 -6.612 2.404 -16.251 1.00 23.54 C ATOM 2324 NH1 ARG A 143 -7.206 3.133 -15.361 1.00 51.11 N ATOM 2325 NH2 ARG A 143 -7.130 2.303 -17.433 1.00 11.24 N ATOM 0 H ARG A 143 -5.121 -2.958 -15.556 1.00 54.03 H new ATOM 0 HA ARG A 143 -2.669 -1.804 -14.943 1.00 50.53 H new ATOM 0 HB2 ARG A 143 -4.696 -0.684 -15.912 1.00 10.43 H new ATOM 0 HB3 ARG A 143 -5.473 -0.771 -14.344 1.00 10.43 H new ATOM 0 HG2 ARG A 143 -3.559 0.624 -13.411 1.00 2.12 H new ATOM 0 HG3 ARG A 143 -2.983 0.827 -15.054 1.00 2.12 H new ATOM 0 HD2 ARG A 143 -5.618 1.775 -13.876 1.00 43.32 H new ATOM 0 HD3 ARG A 143 -4.322 2.757 -14.532 1.00 43.32 H new ATOM 0 HE ARG A 143 -5.048 1.243 -16.709 1.00 3.12 H new ATOM 0 HH11 ARG A 143 -6.805 3.227 -14.428 1.00 51.11 H new ATOM 0 HH12 ARG A 143 -8.075 3.614 -15.593 1.00 51.11 H new ATOM 0 HH21 ARG A 143 -6.668 1.738 -18.145 1.00 11.24 H new ATOM 0 HH22 ARG A 143 -8.000 2.789 -17.652 1.00 11.24 H new ATOM 2339 N PHE A 144 -4.528 -2.463 -12.284 1.00 62.11 N ATOM 2340 CA PHE A 144 -4.473 -2.690 -10.838 1.00 23.04 C ATOM 2341 C PHE A 144 -3.351 -3.680 -10.488 1.00 42.05 C ATOM 2342 O PHE A 144 -2.560 -3.445 -9.576 1.00 73.34 O ATOM 2343 CB PHE A 144 -5.822 -3.224 -10.330 1.00 0.45 C ATOM 2344 CG PHE A 144 -5.899 -3.365 -8.824 1.00 62.10 C ATOM 2345 CD1 PHE A 144 -5.430 -4.509 -8.189 1.00 42.11 C ATOM 2346 CD2 PHE A 144 -6.436 -2.349 -8.045 1.00 45.01 C ATOM 2347 CE1 PHE A 144 -5.495 -4.632 -6.813 1.00 24.21 C ATOM 2348 CE2 PHE A 144 -6.503 -2.471 -6.669 1.00 53.44 C ATOM 2349 CZ PHE A 144 -6.031 -3.613 -6.053 1.00 34.11 C ATOM 0 H PHE A 144 -5.424 -2.697 -12.712 1.00 62.11 H new ATOM 0 HA PHE A 144 -4.263 -1.738 -10.350 1.00 23.04 H new ATOM 0 HB2 PHE A 144 -6.615 -2.555 -10.663 1.00 0.45 H new ATOM 0 HB3 PHE A 144 -6.012 -4.196 -10.786 1.00 0.45 H new ATOM 0 HD1 PHE A 144 -5.010 -5.311 -8.777 1.00 42.11 H new ATOM 0 HD2 PHE A 144 -6.806 -1.452 -8.519 1.00 45.01 H new ATOM 0 HE1 PHE A 144 -5.126 -5.526 -6.333 1.00 24.21 H new ATOM 0 HE2 PHE A 144 -6.925 -1.673 -6.076 1.00 53.44 H new ATOM 0 HZ PHE A 144 -6.081 -3.708 -4.978 1.00 34.11 H new ATOM 2359 N VAL A 145 -3.288 -4.780 -11.238 1.00 24.12 N ATOM 2360 CA VAL A 145 -2.298 -5.840 -11.005 1.00 74.15 C ATOM 2361 C VAL A 145 -0.850 -5.335 -11.149 1.00 13.11 C ATOM 2362 O VAL A 145 -0.055 -5.423 -10.207 1.00 3.41 O ATOM 2363 CB VAL A 145 -2.519 -7.024 -11.980 1.00 63.42 C ATOM 2364 CG1 VAL A 145 -1.460 -8.106 -11.775 1.00 1.44 C ATOM 2365 CG2 VAL A 145 -3.930 -7.597 -11.825 1.00 1.41 C ATOM 0 H VAL A 145 -3.916 -4.964 -12.020 1.00 24.12 H new ATOM 0 HA VAL A 145 -2.442 -6.173 -9.977 1.00 74.15 H new ATOM 0 HB VAL A 145 -2.418 -6.649 -12.998 1.00 63.42 H new ATOM 0 HG11 VAL A 145 -1.638 -8.926 -12.471 1.00 1.44 H new ATOM 0 HG12 VAL A 145 -0.471 -7.685 -11.954 1.00 1.44 H new ATOM 0 HG13 VAL A 145 -1.515 -8.480 -10.753 1.00 1.44 H new ATOM 0 HG21 VAL A 145 -4.064 -8.427 -12.519 1.00 1.41 H new ATOM 0 HG22 VAL A 145 -4.068 -7.952 -10.804 1.00 1.41 H new ATOM 0 HG23 VAL A 145 -4.664 -6.821 -12.042 1.00 1.41 H new ATOM 2375 N MET A 146 -0.514 -4.810 -12.332 1.00 11.41 N ATOM 2376 CA MET A 146 0.856 -4.361 -12.629 1.00 25.03 C ATOM 2377 C MET A 146 1.386 -3.370 -11.578 1.00 52.15 C ATOM 2378 O MET A 146 2.583 -3.341 -11.286 1.00 0.22 O ATOM 2379 CB MET A 146 0.929 -3.718 -14.021 1.00 25.01 C ATOM 2380 CG MET A 146 0.047 -2.485 -14.177 1.00 0.44 C ATOM 2381 SD MET A 146 0.422 -1.539 -15.667 1.00 74.02 S ATOM 2382 CE MET A 146 2.118 -1.062 -15.342 1.00 20.21 C ATOM 0 H MET A 146 -1.171 -4.684 -13.102 1.00 11.41 H new ATOM 0 HA MET A 146 1.487 -5.249 -12.603 1.00 25.03 H new ATOM 0 HB2 MET A 146 1.963 -3.442 -14.230 1.00 25.01 H new ATOM 0 HB3 MET A 146 0.639 -4.457 -14.768 1.00 25.01 H new ATOM 0 HG2 MET A 146 -0.998 -2.793 -14.201 1.00 0.44 H new ATOM 0 HG3 MET A 146 0.170 -1.843 -13.304 1.00 0.44 H new ATOM 0 HE1 MET A 146 2.331 -0.115 -15.839 1.00 20.21 H new ATOM 0 HE2 MET A 146 2.265 -0.949 -14.268 1.00 20.21 H new ATOM 0 HE3 MET A 146 2.791 -1.831 -15.722 1.00 20.21 H new ATOM 2392 N VAL A 147 0.495 -2.553 -11.023 1.00 21.14 N ATOM 2393 CA VAL A 147 0.876 -1.580 -9.994 1.00 45.41 C ATOM 2394 C VAL A 147 0.926 -2.229 -8.601 1.00 22.40 C ATOM 2395 O VAL A 147 1.932 -2.134 -7.896 1.00 30.44 O ATOM 2396 CB VAL A 147 -0.104 -0.380 -9.972 1.00 52.13 C ATOM 2397 CG1 VAL A 147 0.284 0.627 -8.891 1.00 24.01 C ATOM 2398 CG2 VAL A 147 -0.161 0.291 -11.344 1.00 12.43 C ATOM 0 H VAL A 147 -0.496 -2.542 -11.266 1.00 21.14 H new ATOM 0 HA VAL A 147 1.873 -1.219 -10.247 1.00 45.41 H new ATOM 0 HB VAL A 147 -1.098 -0.759 -9.733 1.00 52.13 H new ATOM 0 HG11 VAL A 147 -0.421 1.458 -8.898 1.00 24.01 H new ATOM 0 HG12 VAL A 147 0.261 0.141 -7.916 1.00 24.01 H new ATOM 0 HG13 VAL A 147 1.289 1.001 -9.086 1.00 24.01 H new ATOM 0 HG21 VAL A 147 -0.854 1.131 -11.309 1.00 12.43 H new ATOM 0 HG22 VAL A 147 0.832 0.650 -11.615 1.00 12.43 H new ATOM 0 HG23 VAL A 147 -0.501 -0.430 -12.088 1.00 12.43 H new ATOM 2408 N ALA A 148 -0.155 -2.908 -8.221 1.00 30.02 N ATOM 2409 CA ALA A 148 -0.271 -3.517 -6.887 1.00 40.53 C ATOM 2410 C ALA A 148 0.902 -4.455 -6.558 1.00 53.10 C ATOM 2411 O ALA A 148 1.309 -4.563 -5.401 1.00 75.14 O ATOM 2412 CB ALA A 148 -1.594 -4.262 -6.763 1.00 2.11 C ATOM 0 H ALA A 148 -0.969 -3.053 -8.818 1.00 30.02 H new ATOM 0 HA ALA A 148 -0.239 -2.704 -6.161 1.00 40.53 H new ATOM 0 HB1 ALA A 148 -1.669 -4.709 -5.771 1.00 2.11 H new ATOM 0 HB2 ALA A 148 -2.419 -3.565 -6.910 1.00 2.11 H new ATOM 0 HB3 ALA A 148 -1.642 -5.046 -7.519 1.00 2.11 H new ATOM 2418 N LYS A 149 1.451 -5.121 -7.573 1.00 41.42 N ATOM 2419 CA LYS A 149 2.553 -6.070 -7.365 1.00 43.43 C ATOM 2420 C LYS A 149 3.862 -5.366 -6.951 1.00 15.33 C ATOM 2421 O LYS A 149 4.704 -5.965 -6.279 1.00 4.15 O ATOM 2422 CB LYS A 149 2.785 -6.918 -8.627 1.00 71.33 C ATOM 2423 CG LYS A 149 3.294 -6.130 -9.833 1.00 42.03 C ATOM 2424 CD LYS A 149 3.451 -7.014 -11.072 1.00 2.01 C ATOM 2425 CE LYS A 149 4.384 -8.196 -10.821 1.00 35.12 C ATOM 2426 NZ LYS A 149 4.595 -9.009 -12.047 1.00 31.04 N ATOM 0 H LYS A 149 1.155 -5.024 -8.544 1.00 41.42 H new ATOM 0 HA LYS A 149 2.258 -6.723 -6.543 1.00 43.43 H new ATOM 0 HB2 LYS A 149 3.502 -7.705 -8.394 1.00 71.33 H new ATOM 0 HB3 LYS A 149 1.850 -7.408 -8.897 1.00 71.33 H new ATOM 0 HG2 LYS A 149 2.602 -5.317 -10.053 1.00 42.03 H new ATOM 0 HG3 LYS A 149 4.254 -5.674 -9.589 1.00 42.03 H new ATOM 0 HD2 LYS A 149 2.473 -7.384 -11.379 1.00 2.01 H new ATOM 0 HD3 LYS A 149 3.839 -6.416 -11.897 1.00 2.01 H new ATOM 0 HE2 LYS A 149 5.345 -7.829 -10.460 1.00 35.12 H new ATOM 0 HE3 LYS A 149 3.967 -8.826 -10.035 1.00 35.12 H new ATOM 0 HZ1 LYS A 149 5.234 -9.801 -11.833 1.00 31.04 H new ATOM 0 HZ2 LYS A 149 3.682 -9.381 -12.378 1.00 31.04 H new ATOM 0 HZ3 LYS A 149 5.017 -8.415 -12.789 1.00 31.04 H new ATOM 2440 N THR A 150 4.032 -4.097 -7.342 1.00 11.34 N ATOM 2441 CA THR A 150 5.257 -3.343 -7.000 1.00 54.50 C ATOM 2442 C THR A 150 5.058 -2.441 -5.773 1.00 34.20 C ATOM 2443 O THR A 150 6.029 -1.991 -5.163 1.00 43.13 O ATOM 2444 CB THR A 150 5.767 -2.476 -8.182 1.00 23.42 C ATOM 2445 OG1 THR A 150 7.023 -1.867 -7.843 1.00 13.24 O ATOM 2446 CG2 THR A 150 4.768 -1.383 -8.557 1.00 34.15 C ATOM 0 H THR A 150 3.350 -3.571 -7.889 1.00 11.34 H new ATOM 0 HA THR A 150 6.006 -4.100 -6.769 1.00 54.50 H new ATOM 0 HB THR A 150 5.890 -3.138 -9.039 1.00 23.42 H new ATOM 0 HG1 THR A 150 6.861 -1.037 -7.348 1.00 13.24 H new ATOM 0 HG21 THR A 150 5.163 -0.799 -9.388 1.00 34.15 H new ATOM 0 HG22 THR A 150 3.823 -1.839 -8.851 1.00 34.15 H new ATOM 0 HG23 THR A 150 4.605 -0.730 -7.700 1.00 34.15 H new ATOM 2454 N VAL A 151 3.800 -2.197 -5.400 1.00 20.43 N ATOM 2455 CA VAL A 151 3.477 -1.329 -4.252 1.00 64.21 C ATOM 2456 C VAL A 151 4.229 -1.729 -2.957 1.00 64.13 C ATOM 2457 O VAL A 151 4.786 -0.864 -2.283 1.00 63.04 O ATOM 2458 CB VAL A 151 1.951 -1.293 -3.972 1.00 14.23 C ATOM 2459 CG1 VAL A 151 1.640 -0.471 -2.720 1.00 63.20 C ATOM 2460 CG2 VAL A 151 1.196 -0.740 -5.179 1.00 2.44 C ATOM 0 H VAL A 151 2.984 -2.586 -5.873 1.00 20.43 H new ATOM 0 HA VAL A 151 3.815 -0.333 -4.539 1.00 64.21 H new ATOM 0 HB VAL A 151 1.618 -2.315 -3.794 1.00 14.23 H new ATOM 0 HG11 VAL A 151 0.564 -0.463 -2.548 1.00 63.20 H new ATOM 0 HG12 VAL A 151 2.142 -0.914 -1.860 1.00 63.20 H new ATOM 0 HG13 VAL A 151 1.993 0.551 -2.859 1.00 63.20 H new ATOM 0 HG21 VAL A 151 0.128 -0.723 -4.963 1.00 2.44 H new ATOM 0 HG22 VAL A 151 1.540 0.272 -5.391 1.00 2.44 H new ATOM 0 HG23 VAL A 151 1.381 -1.375 -6.046 1.00 2.44 H new ATOM 2470 N PRO A 152 4.262 -3.031 -2.576 1.00 60.14 N ATOM 2471 CA PRO A 152 4.998 -3.477 -1.376 1.00 0.33 C ATOM 2472 C PRO A 152 6.496 -3.127 -1.434 1.00 35.53 C ATOM 2473 O PRO A 152 7.133 -2.908 -0.402 1.00 74.31 O ATOM 2474 CB PRO A 152 4.793 -5.004 -1.361 1.00 5.52 C ATOM 2475 CG PRO A 152 4.367 -5.351 -2.749 1.00 45.22 C ATOM 2476 CD PRO A 152 3.595 -4.162 -3.249 1.00 35.21 C ATOM 0 HA PRO A 152 4.632 -2.983 -0.476 1.00 0.33 H new ATOM 0 HB2 PRO A 152 5.712 -5.523 -1.089 1.00 5.52 H new ATOM 0 HB3 PRO A 152 4.036 -5.293 -0.632 1.00 5.52 H new ATOM 0 HG2 PRO A 152 5.230 -5.552 -3.384 1.00 45.22 H new ATOM 0 HG3 PRO A 152 3.750 -6.249 -2.756 1.00 45.22 H new ATOM 0 HD2 PRO A 152 3.646 -4.074 -4.334 1.00 35.21 H new ATOM 0 HD3 PRO A 152 2.540 -4.225 -2.984 1.00 35.21 H new ATOM 2484 N ASP A 153 7.046 -3.062 -2.646 1.00 61.53 N ATOM 2485 CA ASP A 153 8.460 -2.733 -2.843 1.00 2.10 C ATOM 2486 C ASP A 153 8.684 -1.211 -2.770 1.00 52.22 C ATOM 2487 O ASP A 153 9.615 -0.742 -2.109 1.00 44.12 O ATOM 2488 CB ASP A 153 8.943 -3.298 -4.182 1.00 22.05 C ATOM 2489 CG ASP A 153 10.436 -3.118 -4.384 1.00 33.10 C ATOM 2490 OD1 ASP A 153 11.219 -3.668 -3.581 1.00 11.30 O ATOM 2491 OD2 ASP A 153 10.836 -2.438 -5.349 1.00 14.10 O ATOM 0 H ASP A 153 6.532 -3.233 -3.510 1.00 61.53 H new ATOM 0 HA ASP A 153 9.043 -3.189 -2.043 1.00 2.10 H new ATOM 0 HB2 ASP A 153 8.698 -4.359 -4.235 1.00 22.05 H new ATOM 0 HB3 ASP A 153 8.408 -2.806 -4.994 1.00 22.05 H new ATOM 2496 N ASP A 154 7.824 -0.441 -3.442 1.00 24.43 N ATOM 2497 CA ASP A 154 7.842 1.022 -3.321 1.00 44.22 C ATOM 2498 C ASP A 154 7.621 1.454 -1.862 1.00 33.51 C ATOM 2499 O ASP A 154 8.238 2.404 -1.380 1.00 44.23 O ATOM 2500 CB ASP A 154 6.773 1.651 -4.223 1.00 33.43 C ATOM 2501 CG ASP A 154 7.165 1.625 -5.688 1.00 10.21 C ATOM 2502 OD1 ASP A 154 6.911 0.611 -6.366 1.00 42.55 O ATOM 2503 OD2 ASP A 154 7.727 2.632 -6.174 1.00 42.43 O ATOM 0 H ASP A 154 7.109 -0.803 -4.073 1.00 24.43 H new ATOM 0 HA ASP A 154 8.823 1.373 -3.641 1.00 44.22 H new ATOM 0 HB2 ASP A 154 5.831 1.118 -4.092 1.00 33.43 H new ATOM 0 HB3 ASP A 154 6.601 2.682 -3.914 1.00 33.43 H new ATOM 2508 N ALA A 155 6.737 0.742 -1.169 1.00 34.10 N ATOM 2509 CA ALA A 155 6.492 0.978 0.255 1.00 21.51 C ATOM 2510 C ALA A 155 7.699 0.543 1.098 1.00 14.54 C ATOM 2511 O ALA A 155 8.051 1.192 2.080 1.00 54.02 O ATOM 2512 CB ALA A 155 5.235 0.245 0.706 1.00 55.10 C ATOM 0 H ALA A 155 6.174 -0.008 -1.571 1.00 34.10 H new ATOM 0 HA ALA A 155 6.344 2.048 0.402 1.00 21.51 H new ATOM 0 HB1 ALA A 155 5.067 0.430 1.767 1.00 55.10 H new ATOM 0 HB2 ALA A 155 4.379 0.605 0.134 1.00 55.10 H new ATOM 0 HB3 ALA A 155 5.358 -0.825 0.540 1.00 55.10 H new ATOM 2518 N LYS A 156 8.334 -0.559 0.699 1.00 65.02 N ATOM 2519 CA LYS A 156 9.532 -1.059 1.385 1.00 23.12 C ATOM 2520 C LYS A 156 10.642 0.008 1.404 1.00 42.45 C ATOM 2521 O LYS A 156 11.475 0.039 2.311 1.00 53.44 O ATOM 2522 CB LYS A 156 10.021 -2.350 0.708 1.00 70.33 C ATOM 2523 CG LYS A 156 11.125 -3.085 1.465 1.00 61.05 C ATOM 2524 CD LYS A 156 11.384 -4.465 0.862 1.00 64.44 C ATOM 2525 CE LYS A 156 12.420 -5.254 1.654 1.00 71.41 C ATOM 2526 NZ LYS A 156 13.777 -4.657 1.558 1.00 23.22 N ATOM 0 H LYS A 156 8.040 -1.125 -0.097 1.00 65.02 H new ATOM 0 HA LYS A 156 9.274 -1.283 2.420 1.00 23.12 H new ATOM 0 HB2 LYS A 156 9.173 -3.023 0.584 1.00 70.33 H new ATOM 0 HB3 LYS A 156 10.383 -2.106 -0.291 1.00 70.33 H new ATOM 0 HG2 LYS A 156 12.042 -2.496 1.439 1.00 61.05 H new ATOM 0 HG3 LYS A 156 10.843 -3.190 2.513 1.00 61.05 H new ATOM 0 HD2 LYS A 156 10.450 -5.026 0.829 1.00 64.44 H new ATOM 0 HD3 LYS A 156 11.725 -4.352 -0.167 1.00 64.44 H new ATOM 0 HE2 LYS A 156 12.118 -5.298 2.700 1.00 71.41 H new ATOM 0 HE3 LYS A 156 12.450 -6.280 1.288 1.00 71.41 H new ATOM 0 HZ1 LYS A 156 14.454 -5.246 2.084 1.00 23.22 H new ATOM 0 HZ2 LYS A 156 14.064 -4.607 0.560 1.00 23.22 H new ATOM 0 HZ3 LYS A 156 13.764 -3.699 1.963 1.00 23.22 H new ATOM 2540 N GLN A 157 10.638 0.890 0.398 1.00 40.54 N ATOM 2541 CA GLN A 157 11.536 2.053 0.386 1.00 62.53 C ATOM 2542 C GLN A 157 11.259 2.966 1.590 1.00 55.14 C ATOM 2543 O GLN A 157 12.152 3.239 2.393 1.00 53.44 O ATOM 2544 CB GLN A 157 11.376 2.854 -0.916 1.00 45.40 C ATOM 2545 CG GLN A 157 11.720 2.073 -2.178 1.00 42.01 C ATOM 2546 CD GLN A 157 13.134 1.518 -2.158 1.00 45.42 C ATOM 2547 OE1 GLN A 157 14.084 2.183 -2.558 1.00 12.11 O ATOM 2548 NE2 GLN A 157 13.284 0.288 -1.708 1.00 22.41 N ATOM 0 H GLN A 157 10.026 0.822 -0.415 1.00 40.54 H new ATOM 0 HA GLN A 157 12.559 1.683 0.449 1.00 62.53 H new ATOM 0 HB2 GLN A 157 10.347 3.205 -0.989 1.00 45.40 H new ATOM 0 HB3 GLN A 157 12.011 3.738 -0.865 1.00 45.40 H new ATOM 0 HG2 GLN A 157 11.013 1.251 -2.296 1.00 42.01 H new ATOM 0 HG3 GLN A 157 11.601 2.722 -3.046 1.00 42.01 H new ATOM 0 HE21 GLN A 157 12.473 -0.238 -1.382 1.00 22.41 H new ATOM 0 HE22 GLN A 157 14.211 -0.137 -1.685 1.00 22.41 H new ATOM 2557 N LEU A 158 10.006 3.413 1.718 1.00 51.35 N ATOM 2558 CA LEU A 158 9.583 4.243 2.856 1.00 73.33 C ATOM 2559 C LEU A 158 9.930 3.562 4.185 1.00 1.11 C ATOM 2560 O LEU A 158 10.464 4.190 5.101 1.00 71.02 O ATOM 2561 CB LEU A 158 8.068 4.520 2.794 1.00 14.54 C ATOM 2562 CG LEU A 158 7.616 5.559 1.755 1.00 43.20 C ATOM 2563 CD1 LEU A 158 8.287 6.901 2.020 1.00 14.13 C ATOM 2564 CD2 LEU A 158 7.900 5.080 0.334 1.00 24.11 C ATOM 0 H LEU A 158 9.264 3.215 1.047 1.00 51.35 H new ATOM 0 HA LEU A 158 10.119 5.190 2.796 1.00 73.33 H new ATOM 0 HB2 LEU A 158 7.555 3.581 2.587 1.00 14.54 H new ATOM 0 HB3 LEU A 158 7.739 4.853 3.778 1.00 14.54 H new ATOM 0 HG LEU A 158 6.538 5.687 1.850 1.00 43.20 H new ATOM 0 HD11 LEU A 158 7.957 7.626 1.276 1.00 14.13 H new ATOM 0 HD12 LEU A 158 8.016 7.253 3.015 1.00 14.13 H new ATOM 0 HD13 LEU A 158 9.369 6.785 1.959 1.00 14.13 H new ATOM 0 HD21 LEU A 158 7.569 5.836 -0.378 1.00 24.11 H new ATOM 0 HD22 LEU A 158 8.970 4.912 0.214 1.00 24.11 H new ATOM 0 HD23 LEU A 158 7.364 4.149 0.150 1.00 24.11 H new ATOM 2576 N THR A 159 9.625 2.270 4.269 1.00 21.53 N ATOM 2577 CA THR A 159 9.968 1.461 5.439 1.00 13.42 C ATOM 2578 C THR A 159 11.461 1.575 5.775 1.00 73.01 C ATOM 2579 O THR A 159 11.833 1.835 6.916 1.00 23.35 O ATOM 2580 CB THR A 159 9.601 -0.029 5.216 1.00 4.14 C ATOM 2581 OG1 THR A 159 8.203 -0.145 4.911 1.00 60.11 O ATOM 2582 CG2 THR A 159 9.922 -0.876 6.444 1.00 75.24 C ATOM 0 H THR A 159 9.137 1.756 3.535 1.00 21.53 H new ATOM 0 HA THR A 159 9.388 1.847 6.277 1.00 13.42 H new ATOM 0 HB THR A 159 10.198 -0.397 4.382 1.00 4.14 H new ATOM 0 HG1 THR A 159 7.812 0.749 4.821 1.00 60.11 H new ATOM 0 HG21 THR A 159 9.651 -1.914 6.251 1.00 75.24 H new ATOM 0 HG22 THR A 159 10.988 -0.813 6.661 1.00 75.24 H new ATOM 0 HG23 THR A 159 9.356 -0.507 7.299 1.00 75.24 H new ATOM 2590 N THR A 160 12.314 1.409 4.767 1.00 51.22 N ATOM 2591 CA THR A 160 13.770 1.490 4.961 1.00 22.43 C ATOM 2592 C THR A 160 14.212 2.895 5.404 1.00 62.22 C ATOM 2593 O THR A 160 14.926 3.045 6.397 1.00 70.41 O ATOM 2594 CB THR A 160 14.541 1.106 3.675 1.00 63.33 C ATOM 2595 OG1 THR A 160 14.110 -0.182 3.209 1.00 42.21 O ATOM 2596 CG2 THR A 160 16.047 1.074 3.927 1.00 34.10 C ATOM 0 H THR A 160 12.028 1.218 3.807 1.00 51.22 H new ATOM 0 HA THR A 160 14.009 0.777 5.750 1.00 22.43 H new ATOM 0 HB THR A 160 14.329 1.861 2.918 1.00 63.33 H new ATOM 0 HG1 THR A 160 13.185 -0.122 2.891 1.00 42.21 H new ATOM 0 HG21 THR A 160 16.564 0.801 3.007 1.00 34.10 H new ATOM 0 HG22 THR A 160 16.382 2.058 4.254 1.00 34.10 H new ATOM 0 HG23 THR A 160 16.271 0.339 4.700 1.00 34.10 H new ATOM 2604 N THR A 161 13.779 3.918 4.666 1.00 11.42 N ATOM 2605 CA THR A 161 14.131 5.314 4.970 1.00 55.53 C ATOM 2606 C THR A 161 13.754 5.700 6.412 1.00 1.10 C ATOM 2607 O THR A 161 14.573 6.250 7.158 1.00 53.52 O ATOM 2608 CB THR A 161 13.445 6.296 3.982 1.00 34.51 C ATOM 2609 OG1 THR A 161 13.860 6.013 2.635 1.00 64.31 O ATOM 2610 CG2 THR A 161 13.770 7.750 4.316 1.00 1.00 C ATOM 0 H THR A 161 13.180 3.809 3.848 1.00 11.42 H new ATOM 0 HA THR A 161 15.213 5.391 4.861 1.00 55.53 H new ATOM 0 HB THR A 161 12.368 6.156 4.076 1.00 34.51 H new ATOM 0 HG1 THR A 161 13.448 5.176 2.335 1.00 64.31 H new ATOM 0 HG21 THR A 161 13.272 8.407 3.603 1.00 1.00 H new ATOM 0 HG22 THR A 161 13.423 7.978 5.324 1.00 1.00 H new ATOM 0 HG23 THR A 161 14.848 7.904 4.260 1.00 1.00 H new ATOM 2618 N ILE A 162 12.522 5.393 6.811 1.00 44.41 N ATOM 2619 CA ILE A 162 12.056 5.685 8.171 1.00 33.14 C ATOM 2620 C ILE A 162 12.866 4.906 9.223 1.00 32.41 C ATOM 2621 O ILE A 162 13.302 5.473 10.222 1.00 22.54 O ATOM 2622 CB ILE A 162 10.543 5.372 8.327 1.00 22.14 C ATOM 2623 CG1 ILE A 162 9.716 6.283 7.400 1.00 24.40 C ATOM 2624 CG2 ILE A 162 10.097 5.528 9.785 1.00 23.41 C ATOM 2625 CD1 ILE A 162 8.220 6.049 7.475 1.00 33.12 C ATOM 0 H ILE A 162 11.827 4.943 6.216 1.00 44.41 H new ATOM 0 HA ILE A 162 12.209 6.751 8.339 1.00 33.14 H new ATOM 0 HB ILE A 162 10.373 4.335 8.038 1.00 22.14 H new ATOM 0 HG12 ILE A 162 9.923 7.323 7.652 1.00 24.40 H new ATOM 0 HG13 ILE A 162 10.045 6.132 6.372 1.00 24.40 H new ATOM 0 HG21 ILE A 162 9.034 5.303 9.866 1.00 23.41 H new ATOM 0 HG22 ILE A 162 10.662 4.840 10.414 1.00 23.41 H new ATOM 0 HG23 ILE A 162 10.277 6.552 10.113 1.00 23.41 H new ATOM 0 HD11 ILE A 162 7.711 6.730 6.793 1.00 33.12 H new ATOM 0 HD12 ILE A 162 7.998 5.020 7.193 1.00 33.12 H new ATOM 0 HD13 ILE A 162 7.874 6.229 8.493 1.00 33.12 H new ATOM 2637 N ASN A 163 13.083 3.613 8.980 1.00 34.51 N ATOM 2638 CA ASN A 163 13.840 2.764 9.912 1.00 25.51 C ATOM 2639 C ASN A 163 15.283 3.260 10.123 1.00 13.34 C ATOM 2640 O ASN A 163 15.785 3.268 11.247 1.00 33.52 O ATOM 2641 CB ASN A 163 13.859 1.314 9.418 1.00 40.35 C ATOM 2642 CG ASN A 163 12.496 0.652 9.505 1.00 71.40 C ATOM 2643 OD1 ASN A 163 12.241 -0.297 8.630 1.00 71.31 O flip ATOM 2644 ND2 ASN A 163 11.681 0.984 10.353 1.00 51.21 N flip ATOM 0 H ASN A 163 12.747 3.128 8.148 1.00 34.51 H new ATOM 0 HA ASN A 163 13.330 2.819 10.874 1.00 25.51 H new ATOM 0 HB2 ASN A 163 14.206 1.290 8.385 1.00 40.35 H new ATOM 0 HB3 ASN A 163 14.575 0.742 10.008 1.00 40.35 H new ATOM 0 HD21 ASN A 163 11.909 1.724 11.017 1.00 51.21 H new ATOM 0 HD22 ASN A 163 10.773 0.521 10.396 1.00 51.21 H new ATOM 2651 N THR A 164 15.953 3.668 9.045 1.00 15.30 N ATOM 2652 CA THR A 164 17.350 4.123 9.142 1.00 22.14 C ATOM 2653 C THR A 164 17.457 5.529 9.755 1.00 50.41 C ATOM 2654 O THR A 164 18.502 5.897 10.291 1.00 31.43 O ATOM 2655 CB THR A 164 18.078 4.105 7.772 1.00 60.13 C ATOM 2656 OG1 THR A 164 19.451 4.491 7.936 1.00 0.21 O ATOM 2657 CG2 THR A 164 17.411 5.037 6.765 1.00 32.42 C ATOM 0 H THR A 164 15.562 3.695 8.103 1.00 15.30 H new ATOM 0 HA THR A 164 17.842 3.410 9.803 1.00 22.14 H new ATOM 0 HB THR A 164 18.021 3.087 7.387 1.00 60.13 H new ATOM 0 HG1 THR A 164 19.902 4.475 7.066 1.00 0.21 H new ATOM 0 HG21 THR A 164 17.950 4.996 5.819 1.00 32.42 H new ATOM 0 HG22 THR A 164 16.379 4.724 6.608 1.00 32.42 H new ATOM 0 HG23 THR A 164 17.427 6.057 7.148 1.00 32.42 H new ATOM 2665 N ASN A 165 16.379 6.314 9.669 1.00 70.34 N ATOM 2666 CA ASN A 165 16.341 7.647 10.295 1.00 31.14 C ATOM 2667 C ASN A 165 15.461 7.665 11.561 1.00 61.52 C ATOM 2668 O ASN A 165 15.191 8.730 12.120 1.00 5.13 O ATOM 2669 CB ASN A 165 15.841 8.696 9.291 1.00 70.02 C ATOM 2670 CG ASN A 165 16.826 8.931 8.158 1.00 20.31 C ATOM 2671 OD1 ASN A 165 17.717 9.765 8.257 1.00 35.24 O ATOM 2672 ND2 ASN A 165 16.673 8.203 7.072 1.00 50.30 N ATOM 0 H ASN A 165 15.524 6.055 9.176 1.00 70.34 H new ATOM 0 HA ASN A 165 17.359 7.893 10.596 1.00 31.14 H new ATOM 0 HB2 ASN A 165 14.886 8.372 8.877 1.00 70.02 H new ATOM 0 HB3 ASN A 165 15.660 9.636 9.812 1.00 70.02 H new ATOM 0 HD21 ASN A 165 17.307 8.326 6.282 1.00 50.30 H new ATOM 0 HD22 ASN A 165 15.921 7.516 7.020 1.00 50.30 H new ATOM 2679 N ALA A 166 15.042 6.487 12.027 1.00 42.23 N ATOM 2680 CA ALA A 166 14.148 6.374 13.191 1.00 25.32 C ATOM 2681 C ALA A 166 14.722 7.073 14.436 1.00 31.13 C ATOM 2682 O ALA A 166 14.000 7.752 15.167 1.00 14.54 O ATOM 2683 CB ALA A 166 13.861 4.907 13.493 1.00 31.23 C ATOM 0 H ALA A 166 15.307 5.591 11.617 1.00 42.23 H new ATOM 0 HA ALA A 166 13.217 6.881 12.937 1.00 25.32 H new ATOM 0 HB1 ALA A 166 13.199 4.836 14.356 1.00 31.23 H new ATOM 0 HB2 ALA A 166 13.383 4.445 12.630 1.00 31.23 H new ATOM 0 HB3 ALA A 166 14.796 4.390 13.710 1.00 31.23 H new ATOM 2689 N GLU A 167 16.024 6.900 14.660 1.00 70.12 N ATOM 2690 CA GLU A 167 16.731 7.539 15.782 1.00 4.35 C ATOM 2691 C GLU A 167 16.529 9.067 15.805 1.00 13.40 C ATOM 2692 O GLU A 167 16.595 9.695 16.865 1.00 3.42 O ATOM 2693 CB GLU A 167 18.227 7.204 15.705 1.00 41.41 C ATOM 2694 CG GLU A 167 18.852 7.502 14.342 1.00 62.12 C ATOM 2695 CD GLU A 167 20.322 7.116 14.261 1.00 42.51 C ATOM 2696 OE1 GLU A 167 20.621 5.910 14.136 1.00 0.04 O ATOM 2697 OE2 GLU A 167 21.185 8.018 14.305 1.00 14.11 O ATOM 0 H GLU A 167 16.621 6.316 14.074 1.00 70.12 H new ATOM 0 HA GLU A 167 16.310 7.146 16.707 1.00 4.35 H new ATOM 0 HB2 GLU A 167 18.757 7.771 16.470 1.00 41.41 H new ATOM 0 HB3 GLU A 167 18.367 6.148 15.936 1.00 41.41 H new ATOM 0 HG2 GLU A 167 18.299 6.966 13.571 1.00 62.12 H new ATOM 0 HG3 GLU A 167 18.750 8.566 14.127 1.00 62.12 H new ATOM 2704 N ALA A 168 16.291 9.658 14.633 1.00 44.32 N ATOM 2705 CA ALA A 168 16.043 11.101 14.522 1.00 65.44 C ATOM 2706 C ALA A 168 14.538 11.418 14.483 1.00 22.22 C ATOM 2707 O ALA A 168 14.089 12.430 15.025 1.00 0.14 O ATOM 2708 CB ALA A 168 16.731 11.658 13.279 1.00 43.13 C ATOM 0 H ALA A 168 16.264 9.160 13.743 1.00 44.32 H new ATOM 0 HA ALA A 168 16.459 11.579 15.409 1.00 65.44 H new ATOM 0 HB1 ALA A 168 16.540 12.729 13.207 1.00 43.13 H new ATOM 0 HB2 ALA A 168 17.805 11.484 13.349 1.00 43.13 H new ATOM 0 HB3 ALA A 168 16.340 11.159 12.392 1.00 43.13 H new ATOM 2714 N LEU A 169 13.764 10.542 13.842 1.00 64.02 N ATOM 2715 CA LEU A 169 12.317 10.744 13.680 1.00 34.05 C ATOM 2716 C LEU A 169 11.556 10.583 15.008 1.00 63.20 C ATOM 2717 O LEU A 169 10.613 11.328 15.288 1.00 31.32 O ATOM 2718 CB LEU A 169 11.761 9.752 12.645 1.00 14.10 C ATOM 2719 CG LEU A 169 12.326 9.903 11.224 1.00 22.22 C ATOM 2720 CD1 LEU A 169 11.780 8.812 10.308 1.00 62.50 C ATOM 2721 CD2 LEU A 169 12.007 11.285 10.661 1.00 11.41 C ATOM 0 H LEU A 169 14.114 9.680 13.423 1.00 64.02 H new ATOM 0 HA LEU A 169 12.169 11.767 13.334 1.00 34.05 H new ATOM 0 HB2 LEU A 169 11.962 8.739 12.993 1.00 14.10 H new ATOM 0 HB3 LEU A 169 10.678 9.866 12.602 1.00 14.10 H new ATOM 0 HG LEU A 169 13.410 9.796 11.276 1.00 22.22 H new ATOM 0 HD11 LEU A 169 12.193 8.937 9.307 1.00 62.50 H new ATOM 0 HD12 LEU A 169 12.064 7.834 10.698 1.00 62.50 H new ATOM 0 HD13 LEU A 169 10.693 8.884 10.264 1.00 62.50 H new ATOM 0 HD21 LEU A 169 12.416 11.371 9.654 1.00 11.41 H new ATOM 0 HD22 LEU A 169 10.926 11.423 10.627 1.00 11.41 H new ATOM 0 HD23 LEU A 169 12.451 12.049 11.299 1.00 11.41 H new ATOM 2733 N PHE A 170 11.957 9.605 15.814 1.00 21.50 N ATOM 2734 CA PHE A 170 11.263 9.303 17.069 1.00 75.23 C ATOM 2735 C PHE A 170 12.178 9.512 18.284 1.00 52.33 C ATOM 2736 O PHE A 170 13.301 9.009 18.327 1.00 20.11 O ATOM 2737 CB PHE A 170 10.749 7.858 17.049 1.00 51.14 C ATOM 2738 CG PHE A 170 9.974 7.508 15.804 1.00 31.13 C ATOM 2739 CD1 PHE A 170 8.682 7.976 15.618 1.00 41.41 C ATOM 2740 CD2 PHE A 170 10.547 6.720 14.812 1.00 52.30 C ATOM 2741 CE1 PHE A 170 7.976 7.660 14.474 1.00 44.34 C ATOM 2742 CE2 PHE A 170 9.844 6.404 13.666 1.00 52.54 C ATOM 2743 CZ PHE A 170 8.558 6.875 13.496 1.00 2.15 C ATOM 0 H PHE A 170 12.760 9.005 15.623 1.00 21.50 H new ATOM 0 HA PHE A 170 10.422 9.990 17.158 1.00 75.23 H new ATOM 0 HB2 PHE A 170 11.597 7.179 17.142 1.00 51.14 H new ATOM 0 HB3 PHE A 170 10.114 7.696 17.920 1.00 51.14 H new ATOM 0 HD1 PHE A 170 8.223 8.594 16.376 1.00 41.41 H new ATOM 0 HD2 PHE A 170 11.554 6.351 14.939 1.00 52.30 H new ATOM 0 HE1 PHE A 170 6.968 8.026 14.343 1.00 44.34 H new ATOM 0 HE2 PHE A 170 10.300 5.789 12.904 1.00 52.54 H new ATOM 0 HZ PHE A 170 8.007 6.631 12.600 1.00 2.15 H new ATOM 2753 N ARG A 171 11.686 10.248 19.274 1.00 25.13 N ATOM 2754 CA ARG A 171 12.438 10.504 20.504 1.00 32.14 C ATOM 2755 C ARG A 171 11.705 9.914 21.724 1.00 73.23 C ATOM 2756 O ARG A 171 10.600 10.344 22.057 1.00 60.12 O ATOM 2757 CB ARG A 171 12.650 12.015 20.696 1.00 70.43 C ATOM 2758 CG ARG A 171 13.594 12.362 21.846 1.00 4.44 C ATOM 2759 CD ARG A 171 15.015 11.882 21.572 1.00 21.15 C ATOM 2760 NE ARG A 171 15.658 12.646 20.504 1.00 13.20 N ATOM 2761 CZ ARG A 171 16.188 12.119 19.430 1.00 35.51 C ATOM 2762 NH1 ARG A 171 16.119 10.845 19.214 1.00 43.25 N ATOM 2763 NH2 ARG A 171 16.780 12.879 18.565 1.00 74.20 N ATOM 0 H ARG A 171 10.763 10.682 19.251 1.00 25.13 H new ATOM 0 HA ARG A 171 13.410 10.019 20.416 1.00 32.14 H new ATOM 0 HB2 ARG A 171 13.046 12.437 19.773 1.00 70.43 H new ATOM 0 HB3 ARG A 171 11.685 12.488 20.875 1.00 70.43 H new ATOM 0 HG2 ARG A 171 13.598 13.441 22.001 1.00 4.44 H new ATOM 0 HG3 ARG A 171 13.228 11.909 22.767 1.00 4.44 H new ATOM 0 HD2 ARG A 171 15.607 11.965 22.483 1.00 21.15 H new ATOM 0 HD3 ARG A 171 14.994 10.827 21.300 1.00 21.15 H new ATOM 0 HE ARG A 171 15.696 13.660 20.603 1.00 13.20 H new ATOM 0 HH11 ARG A 171 15.647 10.239 19.885 1.00 43.25 H new ATOM 0 HH12 ARG A 171 16.536 10.447 18.373 1.00 43.25 H new ATOM 0 HH21 ARG A 171 16.832 13.886 18.722 1.00 74.20 H new ATOM 0 HH22 ARG A 171 17.194 12.471 17.727 1.00 74.20 H new