USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 940 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 30 TYR OH : rot 147:sc= 0.0212 USER MOD Set 1.2: A 68 GLN : amide:sc= -0.197 X(o=-0.18,f=-0.034) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.108) USER MOD Single : A 48 GLN : amide:sc= -0.818 K(o=-0.82,f=-2.5!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 54 HIS : no HE2:sc= 0.698 K(o=0.7,f=-3.8!) USER MOD Single : A 72 THR OG1 : rot -72:sc= 0.908 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 74 SER OG : rot -27:sc= 0.105 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= -0.0224 (180deg=-0.146) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -90:sc= 1.19 USER MOD Single : A 96 THR OG1 : rot 160:sc= 0.609 USER MOD Single : A 99 MET CE :methyl 173:sc= -2.3 (180deg=-2.36!) USER MOD Single : A 104 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 108 SER OG : rot -26:sc= 0.385 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -0.105 F(o=-1.1,f=-0.11) USER MOD Single : A 130 HIS : no HE2:sc= -0.202 K(o=-0.2,f=-0.76) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN :FLIP amide:sc= -1.12 F(o=-2.4!,f=-1.1) USER MOD Single : A 142 GLN : amide:sc=-0.00379 K(o=-0.0038,f=-1.1) USER MOD Single : A 144 MET CE :methyl -168:sc= -0.0832 (180deg=-0.355) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.004 6.419 -3.101 1.00 44.42 N ATOM 240 CA ALA A 18 -6.254 5.644 -4.059 1.00 3.53 C ATOM 241 C ALA A 18 -5.857 6.542 -5.208 1.00 54.42 C ATOM 242 O ALA A 18 -6.696 7.282 -5.746 1.00 63.32 O ATOM 243 CB ALA A 18 -7.074 4.469 -4.566 1.00 34.25 C ATOM 0 HA ALA A 18 -5.362 5.243 -3.578 1.00 3.53 H new ATOM 0 HB1 ALA A 18 -6.487 3.900 -5.287 1.00 34.25 H new ATOM 0 HB2 ALA A 18 -7.344 3.825 -3.729 1.00 34.25 H new ATOM 0 HB3 ALA A 18 -7.980 4.838 -5.046 1.00 34.25 H new ATOM 249 N GLY A 19 -4.612 6.522 -5.536 1.00 52.04 N ATOM 250 CA GLY A 19 -4.094 7.318 -6.582 1.00 23.44 C ATOM 251 C GLY A 19 -3.488 6.469 -7.643 1.00 21.20 C ATOM 252 O GLY A 19 -4.209 5.763 -8.363 1.00 0.22 O ATOM 0 H GLY A 19 -3.915 5.939 -5.073 1.00 52.04 H new ATOM 0 HA2 GLY A 19 -4.890 7.928 -7.009 1.00 23.44 H new ATOM 0 HA3 GLY A 19 -3.344 8.003 -6.186 1.00 23.44 H new ATOM 256 N ASP A 20 -2.191 6.473 -7.726 1.00 11.24 N ATOM 257 CA ASP A 20 -1.507 5.745 -8.769 1.00 41.42 C ATOM 258 C ASP A 20 -0.625 4.684 -8.155 1.00 45.20 C ATOM 259 O ASP A 20 -0.025 4.897 -7.106 1.00 13.21 O ATOM 260 CB ASP A 20 -0.691 6.705 -9.633 1.00 35.13 C ATOM 261 CG ASP A 20 -0.080 6.051 -10.851 1.00 31.21 C ATOM 262 OD1 ASP A 20 -0.816 5.785 -11.828 1.00 14.11 O ATOM 263 OD2 ASP A 20 1.143 5.831 -10.880 1.00 61.11 O ATOM 0 H ASP A 20 -1.577 6.973 -7.083 1.00 11.24 H new ATOM 0 HA ASP A 20 -2.240 5.256 -9.410 1.00 41.42 H new ATOM 0 HB2 ASP A 20 -1.332 7.526 -9.955 1.00 35.13 H new ATOM 0 HB3 ASP A 20 0.104 7.140 -9.027 1.00 35.13 H new ATOM 268 N ASP A 21 -0.565 3.550 -8.789 1.00 72.42 N ATOM 269 CA ASP A 21 0.198 2.426 -8.282 1.00 13.42 C ATOM 270 C ASP A 21 1.703 2.639 -8.457 1.00 73.15 C ATOM 271 O ASP A 21 2.160 3.434 -9.286 1.00 1.54 O ATOM 272 CB ASP A 21 -0.206 1.131 -8.998 1.00 23.01 C ATOM 273 CG ASP A 21 0.268 1.091 -10.434 1.00 65.25 C ATOM 274 OD1 ASP A 21 -0.379 1.720 -11.316 1.00 63.33 O ATOM 275 OD2 ASP A 21 1.299 0.450 -10.710 1.00 71.31 O ATOM 0 H ASP A 21 -1.040 3.369 -9.673 1.00 72.42 H new ATOM 0 HA ASP A 21 -0.024 2.346 -7.218 1.00 13.42 H new ATOM 0 HB2 ASP A 21 0.206 0.278 -8.459 1.00 23.01 H new ATOM 0 HB3 ASP A 21 -1.291 1.030 -8.974 1.00 23.01 H new ATOM 280 N VAL A 22 2.455 1.932 -7.661 1.00 65.51 N ATOM 281 CA VAL A 22 3.909 1.921 -7.722 1.00 65.13 C ATOM 282 C VAL A 22 4.321 0.451 -7.974 1.00 2.43 C ATOM 283 O VAL A 22 5.382 -0.047 -7.589 1.00 71.11 O ATOM 284 CB VAL A 22 4.513 2.469 -6.389 1.00 74.34 C ATOM 285 CG1 VAL A 22 6.019 2.585 -6.484 1.00 54.54 C ATOM 286 CG2 VAL A 22 3.915 3.832 -6.056 1.00 4.34 C ATOM 0 H VAL A 22 2.075 1.330 -6.931 1.00 65.51 H new ATOM 0 HA VAL A 22 4.285 2.564 -8.518 1.00 65.13 H new ATOM 0 HB VAL A 22 4.267 1.764 -5.595 1.00 74.34 H new ATOM 0 HG11 VAL A 22 6.414 2.969 -5.543 1.00 54.54 H new ATOM 0 HG12 VAL A 22 6.448 1.603 -6.684 1.00 54.54 H new ATOM 0 HG13 VAL A 22 6.281 3.267 -7.293 1.00 54.54 H new ATOM 0 HG21 VAL A 22 4.346 4.201 -5.125 1.00 4.34 H new ATOM 0 HG22 VAL A 22 4.137 4.533 -6.861 1.00 4.34 H new ATOM 0 HG23 VAL A 22 2.835 3.738 -5.944 1.00 4.34 H new ATOM 296 N LEU A 23 3.468 -0.201 -8.685 1.00 43.40 N ATOM 297 CA LEU A 23 3.581 -1.600 -8.973 1.00 24.32 C ATOM 298 C LEU A 23 4.038 -1.830 -10.383 1.00 35.22 C ATOM 299 O LEU A 23 4.290 -0.890 -11.141 1.00 34.12 O ATOM 300 CB LEU A 23 2.214 -2.250 -8.810 1.00 33.00 C ATOM 301 CG LEU A 23 1.726 -2.486 -7.399 1.00 30.30 C ATOM 302 CD1 LEU A 23 0.237 -2.747 -7.425 1.00 11.42 C ATOM 303 CD2 LEU A 23 2.443 -3.693 -6.827 1.00 21.14 C ATOM 0 H LEU A 23 2.643 0.234 -9.098 1.00 43.40 H new ATOM 0 HA LEU A 23 4.311 -2.030 -8.287 1.00 24.32 H new ATOM 0 HB2 LEU A 23 1.480 -1.627 -9.322 1.00 33.00 H new ATOM 0 HB3 LEU A 23 2.232 -3.210 -9.326 1.00 33.00 H new ATOM 0 HG LEU A 23 1.930 -1.611 -6.782 1.00 30.30 H new ATOM 0 HD11 LEU A 23 -0.120 -2.918 -6.409 1.00 11.42 H new ATOM 0 HD12 LEU A 23 -0.276 -1.884 -7.850 1.00 11.42 H new ATOM 0 HD13 LEU A 23 0.032 -3.627 -8.035 1.00 11.42 H new ATOM 0 HD21 LEU A 23 2.098 -3.872 -5.809 1.00 21.14 H new ATOM 0 HD22 LEU A 23 2.230 -4.568 -7.441 1.00 21.14 H new ATOM 0 HD23 LEU A 23 3.517 -3.508 -6.819 1.00 21.14 H new ATOM 315 N ASP A 24 4.183 -3.083 -10.705 1.00 54.13 N ATOM 316 CA ASP A 24 4.401 -3.510 -12.051 1.00 24.31 C ATOM 317 C ASP A 24 3.018 -3.769 -12.630 1.00 25.33 C ATOM 318 O ASP A 24 2.165 -4.353 -11.925 1.00 61.25 O ATOM 319 CB ASP A 24 5.248 -4.791 -12.077 1.00 31.43 C ATOM 320 CG ASP A 24 5.451 -5.344 -13.464 1.00 2.00 C ATOM 321 OD1 ASP A 24 6.420 -4.943 -14.135 1.00 34.32 O ATOM 322 OD2 ASP A 24 4.651 -6.207 -13.904 1.00 10.23 O ATOM 0 H ASP A 24 4.152 -3.845 -10.028 1.00 54.13 H new ATOM 0 HA ASP A 24 4.942 -2.761 -12.629 1.00 24.31 H new ATOM 0 HB2 ASP A 24 6.220 -4.584 -11.630 1.00 31.43 H new ATOM 0 HB3 ASP A 24 4.767 -5.549 -11.458 1.00 31.43 H new ATOM 327 N PRO A 25 2.742 -3.323 -13.873 1.00 62.25 N ATOM 328 CA PRO A 25 1.409 -3.432 -14.498 1.00 75.22 C ATOM 329 C PRO A 25 0.778 -4.831 -14.452 1.00 64.51 C ATOM 330 O PRO A 25 -0.446 -4.948 -14.480 1.00 33.34 O ATOM 331 CB PRO A 25 1.644 -3.002 -15.940 1.00 52.20 C ATOM 332 CG PRO A 25 2.819 -2.096 -15.870 1.00 11.11 C ATOM 333 CD PRO A 25 3.696 -2.628 -14.770 1.00 1.23 C ATOM 0 HA PRO A 25 0.693 -2.818 -13.952 1.00 75.22 H new ATOM 0 HB2 PRO A 25 1.842 -3.860 -16.583 1.00 52.20 H new ATOM 0 HB3 PRO A 25 0.772 -2.491 -16.349 1.00 52.20 H new ATOM 0 HG2 PRO A 25 3.354 -2.078 -16.820 1.00 11.11 H new ATOM 0 HG3 PRO A 25 2.509 -1.072 -15.660 1.00 11.11 H new ATOM 0 HD2 PRO A 25 4.454 -3.310 -15.155 1.00 1.23 H new ATOM 0 HD3 PRO A 25 4.222 -1.826 -14.252 1.00 1.23 H new ATOM 341 N ASP A 26 1.580 -5.879 -14.365 1.00 54.32 N ATOM 342 CA ASP A 26 1.009 -7.215 -14.300 1.00 74.44 C ATOM 343 C ASP A 26 1.595 -8.002 -13.136 1.00 3.01 C ATOM 344 O ASP A 26 1.770 -9.217 -13.202 1.00 74.20 O ATOM 345 CB ASP A 26 1.161 -7.980 -15.629 1.00 0.33 C ATOM 346 CG ASP A 26 0.199 -9.170 -15.708 1.00 4.33 C ATOM 347 OD1 ASP A 26 -1.039 -8.946 -15.752 1.00 42.32 O ATOM 348 OD2 ASP A 26 0.635 -10.332 -15.697 1.00 61.12 O ATOM 0 H ASP A 26 2.599 -5.836 -14.338 1.00 54.32 H new ATOM 0 HA ASP A 26 -0.061 -7.099 -14.126 1.00 74.44 H new ATOM 0 HB2 ASP A 26 0.973 -7.303 -16.463 1.00 0.33 H new ATOM 0 HB3 ASP A 26 2.187 -8.333 -15.731 1.00 0.33 H new ATOM 353 N GLU A 27 1.902 -7.306 -12.056 1.00 43.03 N ATOM 354 CA GLU A 27 2.318 -7.984 -10.846 1.00 60.24 C ATOM 355 C GLU A 27 1.067 -8.627 -10.285 1.00 42.15 C ATOM 356 O GLU A 27 0.035 -7.957 -10.233 1.00 25.22 O ATOM 357 CB GLU A 27 2.879 -6.974 -9.826 1.00 71.42 C ATOM 358 CG GLU A 27 3.509 -7.590 -8.573 1.00 71.35 C ATOM 359 CD GLU A 27 4.680 -8.498 -8.890 1.00 64.42 C ATOM 360 OE1 GLU A 27 5.553 -8.103 -9.694 1.00 44.42 O ATOM 361 OE2 GLU A 27 4.728 -9.636 -8.369 1.00 22.32 O ATOM 0 H GLU A 27 1.872 -6.288 -11.993 1.00 43.03 H new ATOM 0 HA GLU A 27 3.101 -8.714 -11.051 1.00 60.24 H new ATOM 0 HB2 GLU A 27 3.628 -6.358 -10.324 1.00 71.42 H new ATOM 0 HB3 GLU A 27 2.073 -6.308 -9.517 1.00 71.42 H new ATOM 0 HG2 GLU A 27 3.843 -6.792 -7.910 1.00 71.35 H new ATOM 0 HG3 GLU A 27 2.751 -8.157 -8.032 1.00 71.35 H new ATOM 368 N PRO A 28 1.096 -9.931 -9.952 1.00 52.21 N ATOM 369 CA PRO A 28 -0.052 -10.621 -9.354 1.00 14.35 C ATOM 370 C PRO A 28 -0.535 -9.918 -8.083 1.00 74.34 C ATOM 371 O PRO A 28 0.052 -10.046 -7.010 1.00 34.33 O ATOM 372 CB PRO A 28 0.489 -12.011 -9.026 1.00 65.34 C ATOM 373 CG PRO A 28 1.615 -12.206 -9.975 1.00 3.02 C ATOM 374 CD PRO A 28 2.228 -10.851 -10.168 1.00 13.04 C ATOM 0 HA PRO A 28 -0.913 -10.641 -10.022 1.00 14.35 H new ATOM 0 HB2 PRO A 28 0.827 -12.071 -7.991 1.00 65.34 H new ATOM 0 HB3 PRO A 28 -0.277 -12.776 -9.156 1.00 65.34 H new ATOM 0 HG2 PRO A 28 2.344 -12.912 -9.577 1.00 3.02 H new ATOM 0 HG3 PRO A 28 1.262 -12.614 -10.922 1.00 3.02 H new ATOM 0 HD2 PRO A 28 3.035 -10.670 -9.458 1.00 13.04 H new ATOM 0 HD3 PRO A 28 2.652 -10.740 -11.166 1.00 13.04 H new ATOM 382 N THR A 29 -1.549 -9.132 -8.228 1.00 61.44 N ATOM 383 CA THR A 29 -2.068 -8.363 -7.157 1.00 3.53 C ATOM 384 C THR A 29 -3.385 -8.899 -6.657 1.00 73.31 C ATOM 385 O THR A 29 -3.881 -9.936 -7.123 1.00 64.23 O ATOM 386 CB THR A 29 -2.219 -6.904 -7.599 1.00 33.44 C ATOM 387 OG1 THR A 29 -2.757 -6.867 -8.926 1.00 51.33 O ATOM 388 CG2 THR A 29 -0.881 -6.201 -7.583 1.00 70.43 C ATOM 0 H THR A 29 -2.045 -9.007 -9.110 1.00 61.44 H new ATOM 0 HA THR A 29 -1.363 -8.426 -6.328 1.00 3.53 H new ATOM 0 HB THR A 29 -2.890 -6.395 -6.907 1.00 33.44 H new ATOM 0 HG1 THR A 29 -2.857 -5.935 -9.213 1.00 51.33 H new ATOM 0 HG21 THR A 29 -1.010 -5.166 -7.900 1.00 70.43 H new ATOM 0 HG22 THR A 29 -0.471 -6.223 -6.573 1.00 70.43 H new ATOM 0 HG23 THR A 29 -0.196 -6.706 -8.264 1.00 70.43 H new ATOM 396 N TYR A 30 -3.930 -8.211 -5.712 1.00 2.50 N ATOM 397 CA TYR A 30 -5.177 -8.524 -5.149 1.00 70.43 C ATOM 398 C TYR A 30 -6.167 -7.477 -5.524 1.00 45.21 C ATOM 399 O TYR A 30 -5.806 -6.377 -5.898 1.00 34.14 O ATOM 400 CB TYR A 30 -5.089 -8.669 -3.638 1.00 13.51 C ATOM 401 CG TYR A 30 -4.453 -9.956 -3.213 1.00 12.41 C ATOM 402 CD1 TYR A 30 -5.141 -11.142 -3.356 1.00 21.12 C ATOM 403 CD2 TYR A 30 -3.180 -9.998 -2.688 1.00 71.12 C ATOM 404 CE1 TYR A 30 -4.590 -12.338 -2.990 1.00 50.42 C ATOM 405 CE2 TYR A 30 -2.608 -11.193 -2.314 1.00 22.51 C ATOM 406 CZ TYR A 30 -3.322 -12.368 -2.474 1.00 20.22 C ATOM 407 OH TYR A 30 -2.765 -13.575 -2.112 1.00 15.12 O ATOM 0 H TYR A 30 -3.493 -7.385 -5.302 1.00 2.50 H new ATOM 0 HA TYR A 30 -5.503 -9.486 -5.544 1.00 70.43 H new ATOM 0 HB2 TYR A 30 -4.517 -7.835 -3.231 1.00 13.51 H new ATOM 0 HB3 TYR A 30 -6.091 -8.607 -3.213 1.00 13.51 H new ATOM 0 HD1 TYR A 30 -6.140 -11.126 -3.767 1.00 21.12 H new ATOM 0 HD2 TYR A 30 -2.623 -9.081 -2.568 1.00 71.12 H new ATOM 0 HE1 TYR A 30 -5.151 -13.253 -3.107 1.00 50.42 H new ATOM 0 HE2 TYR A 30 -1.611 -11.214 -1.899 1.00 22.51 H new ATOM 0 HH TYR A 30 -1.798 -13.549 -2.268 1.00 15.12 H new ATOM 417 N ASP A 31 -7.378 -7.832 -5.429 1.00 62.12 N ATOM 418 CA ASP A 31 -8.508 -7.013 -5.746 1.00 63.31 C ATOM 419 C ASP A 31 -9.426 -7.299 -4.599 1.00 62.23 C ATOM 420 O ASP A 31 -9.211 -8.313 -3.924 1.00 72.12 O ATOM 421 CB ASP A 31 -9.205 -7.523 -7.036 1.00 42.34 C ATOM 422 CG ASP A 31 -8.260 -7.874 -8.174 1.00 73.23 C ATOM 423 OD1 ASP A 31 -7.790 -9.039 -8.223 1.00 72.11 O ATOM 424 OD2 ASP A 31 -7.976 -7.027 -9.030 1.00 70.44 O ATOM 0 H ASP A 31 -7.645 -8.762 -5.108 1.00 62.12 H new ATOM 0 HA ASP A 31 -8.246 -5.966 -5.896 1.00 63.31 H new ATOM 0 HB2 ASP A 31 -9.797 -8.404 -6.788 1.00 42.34 H new ATOM 0 HB3 ASP A 31 -9.901 -6.759 -7.383 1.00 42.34 H new ATOM 429 N LEU A 32 -10.419 -6.475 -4.357 1.00 33.50 N ATOM 430 CA LEU A 32 -11.353 -6.696 -3.239 1.00 22.12 C ATOM 431 C LEU A 32 -11.943 -8.145 -3.231 1.00 34.11 C ATOM 432 O LEU A 32 -11.848 -8.835 -2.206 1.00 72.12 O ATOM 433 CB LEU A 32 -12.469 -5.626 -3.198 1.00 45.32 C ATOM 434 CG LEU A 32 -12.023 -4.165 -3.011 1.00 12.55 C ATOM 435 CD1 LEU A 32 -13.226 -3.236 -3.044 1.00 71.50 C ATOM 436 CD2 LEU A 32 -11.261 -3.991 -1.701 1.00 41.43 C ATOM 0 H LEU A 32 -10.614 -5.641 -4.910 1.00 33.50 H new ATOM 0 HA LEU A 32 -10.769 -6.590 -2.325 1.00 22.12 H new ATOM 0 HB2 LEU A 32 -13.037 -5.692 -4.126 1.00 45.32 H new ATOM 0 HB3 LEU A 32 -13.153 -5.879 -2.387 1.00 45.32 H new ATOM 0 HG LEU A 32 -11.355 -3.907 -3.833 1.00 12.55 H new ATOM 0 HD11 LEU A 32 -12.894 -2.206 -2.910 1.00 71.50 H new ATOM 0 HD12 LEU A 32 -13.734 -3.332 -4.004 1.00 71.50 H new ATOM 0 HD13 LEU A 32 -13.914 -3.503 -2.241 1.00 71.50 H new ATOM 0 HD21 LEU A 32 -10.957 -2.950 -1.593 1.00 41.43 H new ATOM 0 HD22 LEU A 32 -11.904 -4.270 -0.866 1.00 41.43 H new ATOM 0 HD23 LEU A 32 -10.377 -4.629 -1.707 1.00 41.43 H new ATOM 448 N PRO A 33 -12.519 -8.655 -4.378 1.00 2.22 N ATOM 449 CA PRO A 33 -13.017 -10.040 -4.453 1.00 32.21 C ATOM 450 C PRO A 33 -11.909 -11.078 -4.219 1.00 61.14 C ATOM 451 O PRO A 33 -12.141 -12.115 -3.600 1.00 65.04 O ATOM 452 CB PRO A 33 -13.561 -10.159 -5.888 1.00 22.21 C ATOM 453 CG PRO A 33 -12.926 -9.041 -6.637 1.00 61.23 C ATOM 454 CD PRO A 33 -12.785 -7.932 -5.649 1.00 13.33 C ATOM 0 HA PRO A 33 -13.763 -10.237 -3.683 1.00 32.21 H new ATOM 0 HB2 PRO A 33 -13.306 -11.123 -6.328 1.00 22.21 H new ATOM 0 HB3 PRO A 33 -14.648 -10.078 -5.906 1.00 22.21 H new ATOM 0 HG2 PRO A 33 -11.956 -9.337 -7.037 1.00 61.23 H new ATOM 0 HG3 PRO A 33 -13.541 -8.737 -7.484 1.00 61.23 H new ATOM 0 HD2 PRO A 33 -11.968 -7.259 -5.910 1.00 13.33 H new ATOM 0 HD3 PRO A 33 -13.690 -7.327 -5.588 1.00 13.33 H new ATOM 462 N ARG A 34 -10.708 -10.785 -4.697 1.00 42.34 N ATOM 463 CA ARG A 34 -9.579 -11.689 -4.557 1.00 65.02 C ATOM 464 C ARG A 34 -9.124 -11.747 -3.087 1.00 70.25 C ATOM 465 O ARG A 34 -8.731 -12.792 -2.594 1.00 65.30 O ATOM 466 CB ARG A 34 -8.433 -11.209 -5.424 1.00 73.52 C ATOM 467 CG ARG A 34 -7.380 -12.249 -5.735 1.00 44.15 C ATOM 468 CD ARG A 34 -7.934 -13.327 -6.633 1.00 5.45 C ATOM 469 NE ARG A 34 -6.877 -14.211 -7.120 1.00 42.21 N ATOM 470 CZ ARG A 34 -6.394 -14.209 -8.380 1.00 11.24 C ATOM 471 NH1 ARG A 34 -6.916 -13.391 -9.308 1.00 1.01 N ATOM 472 NH2 ARG A 34 -5.402 -15.028 -8.712 1.00 3.10 N ATOM 0 H ARG A 34 -10.491 -9.919 -5.190 1.00 42.34 H new ATOM 0 HA ARG A 34 -9.883 -12.687 -4.874 1.00 65.02 H new ATOM 0 HB2 ARG A 34 -8.841 -10.836 -6.364 1.00 73.52 H new ATOM 0 HB3 ARG A 34 -7.952 -10.366 -4.928 1.00 73.52 H new ATOM 0 HG2 ARG A 34 -6.525 -11.774 -6.216 1.00 44.15 H new ATOM 0 HG3 ARG A 34 -7.018 -12.693 -4.808 1.00 44.15 H new ATOM 0 HD2 ARG A 34 -8.676 -13.911 -6.088 1.00 5.45 H new ATOM 0 HD3 ARG A 34 -8.447 -12.870 -7.479 1.00 5.45 H new ATOM 0 HE ARG A 34 -6.476 -14.877 -6.460 1.00 42.21 H new ATOM 0 HH11 ARG A 34 -7.683 -12.765 -9.063 1.00 1.01 H new ATOM 0 HH12 ARG A 34 -6.545 -13.395 -10.258 1.00 1.01 H new ATOM 0 HH21 ARG A 34 -5.006 -15.658 -8.015 1.00 3.10 H new ATOM 0 HH22 ARG A 34 -5.037 -15.027 -9.664 1.00 3.10 H new ATOM 486 N VAL A 35 -9.179 -10.613 -2.396 1.00 40.24 N ATOM 487 CA VAL A 35 -8.811 -10.570 -0.977 1.00 13.10 C ATOM 488 C VAL A 35 -9.847 -11.321 -0.163 1.00 22.24 C ATOM 489 O VAL A 35 -9.512 -12.055 0.768 1.00 71.33 O ATOM 490 CB VAL A 35 -8.657 -9.122 -0.425 1.00 71.23 C ATOM 491 CG1 VAL A 35 -8.282 -9.132 1.053 1.00 33.53 C ATOM 492 CG2 VAL A 35 -7.621 -8.355 -1.205 1.00 24.43 C ATOM 0 H VAL A 35 -9.471 -9.717 -2.787 1.00 40.24 H new ATOM 0 HA VAL A 35 -7.834 -11.044 -0.888 1.00 13.10 H new ATOM 0 HB VAL A 35 -9.622 -8.628 -0.537 1.00 71.23 H new ATOM 0 HG11 VAL A 35 -8.182 -8.107 1.410 1.00 33.53 H new ATOM 0 HG12 VAL A 35 -9.060 -9.640 1.622 1.00 33.53 H new ATOM 0 HG13 VAL A 35 -7.336 -9.656 1.185 1.00 33.53 H new ATOM 0 HG21 VAL A 35 -7.533 -7.347 -0.800 1.00 24.43 H new ATOM 0 HG22 VAL A 35 -6.659 -8.862 -1.129 1.00 24.43 H new ATOM 0 HG23 VAL A 35 -7.921 -8.300 -2.252 1.00 24.43 H new ATOM 502 N ALA A 36 -11.096 -11.160 -0.549 1.00 1.33 N ATOM 503 CA ALA A 36 -12.197 -11.868 0.073 1.00 63.04 C ATOM 504 C ALA A 36 -11.983 -13.369 -0.071 1.00 62.13 C ATOM 505 O ALA A 36 -12.188 -14.140 0.860 1.00 5.01 O ATOM 506 CB ALA A 36 -13.504 -11.451 -0.580 1.00 14.50 C ATOM 0 H ALA A 36 -11.377 -10.534 -1.304 1.00 1.33 H new ATOM 0 HA ALA A 36 -12.241 -11.620 1.134 1.00 63.04 H new ATOM 0 HB1 ALA A 36 -14.331 -11.984 -0.111 1.00 14.50 H new ATOM 0 HB2 ALA A 36 -13.647 -10.378 -0.455 1.00 14.50 H new ATOM 0 HB3 ALA A 36 -13.473 -11.692 -1.643 1.00 14.50 H new ATOM 512 N GLU A 37 -11.502 -13.742 -1.230 1.00 21.44 N ATOM 513 CA GLU A 37 -11.213 -15.110 -1.595 1.00 12.53 C ATOM 514 C GLU A 37 -10.025 -15.641 -0.773 1.00 14.12 C ATOM 515 O GLU A 37 -9.984 -16.812 -0.385 1.00 23.11 O ATOM 516 CB GLU A 37 -10.860 -15.101 -3.064 1.00 41.42 C ATOM 517 CG GLU A 37 -10.930 -16.425 -3.771 1.00 73.51 C ATOM 518 CD GLU A 37 -10.722 -16.243 -5.242 1.00 44.45 C ATOM 519 OE1 GLU A 37 -11.680 -15.851 -5.938 1.00 33.15 O ATOM 520 OE2 GLU A 37 -9.601 -16.468 -5.731 1.00 54.35 O ATOM 0 H GLU A 37 -11.292 -13.078 -1.975 1.00 21.44 H new ATOM 0 HA GLU A 37 -12.069 -15.756 -1.398 1.00 12.53 H new ATOM 0 HB2 GLU A 37 -11.527 -14.405 -3.573 1.00 41.42 H new ATOM 0 HB3 GLU A 37 -9.849 -14.708 -3.171 1.00 41.42 H new ATOM 0 HG2 GLU A 37 -10.172 -17.099 -3.371 1.00 73.51 H new ATOM 0 HG3 GLU A 37 -11.899 -16.891 -3.589 1.00 73.51 H new ATOM 527 N LEU A 38 -9.073 -14.771 -0.527 1.00 70.31 N ATOM 528 CA LEU A 38 -7.878 -15.093 0.223 1.00 30.21 C ATOM 529 C LEU A 38 -8.183 -15.258 1.710 1.00 62.14 C ATOM 530 O LEU A 38 -7.719 -16.198 2.348 1.00 15.20 O ATOM 531 CB LEU A 38 -6.836 -13.985 0.038 1.00 44.12 C ATOM 532 CG LEU A 38 -5.517 -14.161 0.792 1.00 60.33 C ATOM 533 CD1 LEU A 38 -4.733 -15.352 0.263 1.00 13.22 C ATOM 534 CD2 LEU A 38 -4.694 -12.889 0.729 1.00 62.43 C ATOM 0 H LEU A 38 -9.106 -13.803 -0.847 1.00 70.31 H new ATOM 0 HA LEU A 38 -7.488 -16.038 -0.155 1.00 30.21 H new ATOM 0 HB2 LEU A 38 -6.613 -13.899 -1.026 1.00 44.12 H new ATOM 0 HB3 LEU A 38 -7.283 -13.040 0.347 1.00 44.12 H new ATOM 0 HG LEU A 38 -5.749 -14.363 1.838 1.00 60.33 H new ATOM 0 HD11 LEU A 38 -3.801 -15.450 0.819 1.00 13.22 H new ATOM 0 HD12 LEU A 38 -5.325 -16.260 0.383 1.00 13.22 H new ATOM 0 HD13 LEU A 38 -4.511 -15.201 -0.793 1.00 13.22 H new ATOM 0 HD21 LEU A 38 -3.759 -13.033 1.271 1.00 62.43 H new ATOM 0 HD22 LEU A 38 -4.477 -12.647 -0.311 1.00 62.43 H new ATOM 0 HD23 LEU A 38 -5.254 -12.071 1.182 1.00 62.43 H new ATOM 546 N LEU A 39 -8.950 -14.343 2.254 1.00 23.50 N ATOM 547 CA LEU A 39 -9.238 -14.343 3.682 1.00 24.22 C ATOM 548 C LEU A 39 -10.418 -15.236 4.042 1.00 0.53 C ATOM 549 O LEU A 39 -10.585 -15.611 5.204 1.00 24.13 O ATOM 550 CB LEU A 39 -9.487 -12.916 4.174 1.00 21.23 C ATOM 551 CG LEU A 39 -8.332 -11.918 4.008 1.00 54.41 C ATOM 552 CD1 LEU A 39 -8.759 -10.541 4.476 1.00 4.21 C ATOM 553 CD2 LEU A 39 -7.103 -12.376 4.775 1.00 15.31 C ATOM 0 H LEU A 39 -9.390 -13.584 1.734 1.00 23.50 H new ATOM 0 HA LEU A 39 -8.361 -14.754 4.183 1.00 24.22 H new ATOM 0 HB2 LEU A 39 -10.356 -12.521 3.648 1.00 21.23 H new ATOM 0 HB3 LEU A 39 -9.748 -12.961 5.231 1.00 21.23 H new ATOM 0 HG LEU A 39 -8.074 -11.869 2.950 1.00 54.41 H new ATOM 0 HD11 LEU A 39 -7.932 -9.842 4.353 1.00 4.21 H new ATOM 0 HD12 LEU A 39 -9.610 -10.203 3.884 1.00 4.21 H new ATOM 0 HD13 LEU A 39 -9.043 -10.586 5.527 1.00 4.21 H new ATOM 0 HD21 LEU A 39 -6.300 -11.652 4.641 1.00 15.31 H new ATOM 0 HD22 LEU A 39 -7.345 -12.457 5.835 1.00 15.31 H new ATOM 0 HD23 LEU A 39 -6.782 -13.348 4.400 1.00 15.31 H new ATOM 565 N GLY A 40 -11.232 -15.570 3.060 1.00 34.43 N ATOM 566 CA GLY A 40 -12.392 -16.396 3.312 1.00 0.44 C ATOM 567 C GLY A 40 -13.494 -15.590 3.963 1.00 34.11 C ATOM 568 O GLY A 40 -14.315 -16.117 4.712 1.00 30.54 O ATOM 0 H GLY A 40 -11.112 -15.284 2.088 1.00 34.43 H new ATOM 0 HA2 GLY A 40 -12.751 -16.822 2.375 1.00 0.44 H new ATOM 0 HA3 GLY A 40 -12.117 -17.231 3.956 1.00 0.44 H new ATOM 572 N VAL A 41 -13.500 -14.308 3.680 1.00 13.33 N ATOM 573 CA VAL A 41 -14.476 -13.383 4.239 1.00 74.41 C ATOM 574 C VAL A 41 -15.196 -12.700 3.093 1.00 13.11 C ATOM 575 O VAL A 41 -14.691 -12.716 1.979 1.00 61.14 O ATOM 576 CB VAL A 41 -13.801 -12.297 5.146 1.00 62.15 C ATOM 577 CG1 VAL A 41 -13.050 -12.926 6.301 1.00 53.13 C ATOM 578 CG2 VAL A 41 -12.885 -11.379 4.344 1.00 75.43 C ATOM 0 H VAL A 41 -12.827 -13.869 3.052 1.00 13.33 H new ATOM 0 HA VAL A 41 -15.170 -13.947 4.862 1.00 74.41 H new ATOM 0 HB VAL A 41 -14.604 -11.687 5.558 1.00 62.15 H new ATOM 0 HG11 VAL A 41 -12.595 -12.144 6.908 1.00 53.13 H new ATOM 0 HG12 VAL A 41 -13.742 -13.504 6.913 1.00 53.13 H new ATOM 0 HG13 VAL A 41 -12.272 -13.584 5.914 1.00 53.13 H new ATOM 0 HG21 VAL A 41 -12.437 -10.641 5.009 1.00 75.43 H new ATOM 0 HG22 VAL A 41 -12.098 -11.970 3.875 1.00 75.43 H new ATOM 0 HG23 VAL A 41 -13.464 -10.869 3.574 1.00 75.43 H new ATOM 588 N PRO A 42 -16.392 -12.138 3.303 1.00 31.00 N ATOM 589 CA PRO A 42 -17.073 -11.404 2.246 1.00 51.43 C ATOM 590 C PRO A 42 -16.326 -10.110 1.882 1.00 51.41 C ATOM 591 O PRO A 42 -15.576 -9.539 2.718 1.00 41.43 O ATOM 592 CB PRO A 42 -18.451 -11.081 2.842 1.00 31.40 C ATOM 593 CG PRO A 42 -18.256 -11.163 4.316 1.00 20.24 C ATOM 594 CD PRO A 42 -17.196 -12.207 4.539 1.00 75.10 C ATOM 0 HA PRO A 42 -17.132 -11.980 1.323 1.00 51.43 H new ATOM 0 HB2 PRO A 42 -18.789 -10.089 2.542 1.00 31.40 H new ATOM 0 HB3 PRO A 42 -19.205 -11.791 2.503 1.00 31.40 H new ATOM 0 HG2 PRO A 42 -17.946 -10.200 4.722 1.00 20.24 H new ATOM 0 HG3 PRO A 42 -19.184 -11.437 4.817 1.00 20.24 H new ATOM 0 HD2 PRO A 42 -16.596 -11.990 5.423 1.00 75.10 H new ATOM 0 HD3 PRO A 42 -17.629 -13.197 4.683 1.00 75.10 H new ATOM 602 N VAL A 43 -16.537 -9.646 0.652 1.00 62.33 N ATOM 603 CA VAL A 43 -15.933 -8.409 0.139 1.00 23.32 C ATOM 604 C VAL A 43 -16.246 -7.237 1.069 1.00 73.25 C ATOM 605 O VAL A 43 -15.419 -6.348 1.257 1.00 60.44 O ATOM 606 CB VAL A 43 -16.428 -8.088 -1.303 1.00 11.31 C ATOM 607 CG1 VAL A 43 -15.842 -6.785 -1.830 1.00 44.24 C ATOM 608 CG2 VAL A 43 -16.089 -9.222 -2.250 1.00 55.24 C ATOM 0 H VAL A 43 -17.136 -10.118 -0.025 1.00 62.33 H new ATOM 0 HA VAL A 43 -14.854 -8.560 0.102 1.00 23.32 H new ATOM 0 HB VAL A 43 -17.511 -7.973 -1.250 1.00 11.31 H new ATOM 0 HG11 VAL A 43 -16.214 -6.600 -2.838 1.00 44.24 H new ATOM 0 HG12 VAL A 43 -16.138 -5.963 -1.178 1.00 44.24 H new ATOM 0 HG13 VAL A 43 -14.755 -6.858 -1.852 1.00 44.24 H new ATOM 0 HG21 VAL A 43 -16.443 -8.978 -3.252 1.00 55.24 H new ATOM 0 HG22 VAL A 43 -15.009 -9.367 -2.272 1.00 55.24 H new ATOM 0 HG23 VAL A 43 -16.571 -10.138 -1.908 1.00 55.24 H new ATOM 618 N SER A 44 -17.424 -7.276 1.675 1.00 52.45 N ATOM 619 CA SER A 44 -17.846 -6.270 2.611 1.00 54.42 C ATOM 620 C SER A 44 -16.851 -6.153 3.768 1.00 71.03 C ATOM 621 O SER A 44 -16.432 -5.056 4.090 1.00 14.12 O ATOM 622 CB SER A 44 -19.251 -6.575 3.136 1.00 23.54 C ATOM 623 OG SER A 44 -19.703 -5.563 4.022 1.00 31.45 O ATOM 0 H SER A 44 -18.111 -8.015 1.523 1.00 52.45 H new ATOM 0 HA SER A 44 -17.876 -5.313 2.090 1.00 54.42 H new ATOM 0 HB2 SER A 44 -19.943 -6.663 2.298 1.00 23.54 H new ATOM 0 HB3 SER A 44 -19.248 -7.536 3.650 1.00 23.54 H new ATOM 0 HG SER A 44 -20.603 -5.784 4.340 1.00 31.45 H new ATOM 629 N LYS A 45 -16.408 -7.290 4.341 1.00 42.35 N ATOM 630 CA LYS A 45 -15.443 -7.238 5.440 1.00 33.31 C ATOM 631 C LYS A 45 -14.126 -6.667 4.973 1.00 64.50 C ATOM 632 O LYS A 45 -13.481 -5.923 5.699 1.00 44.04 O ATOM 633 CB LYS A 45 -15.211 -8.588 6.129 1.00 21.45 C ATOM 634 CG LYS A 45 -16.342 -9.061 7.030 1.00 31.12 C ATOM 635 CD LYS A 45 -15.897 -10.273 7.848 1.00 55.01 C ATOM 636 CE LYS A 45 -16.988 -10.777 8.779 1.00 10.32 C ATOM 637 NZ LYS A 45 -17.431 -9.752 9.750 1.00 25.01 N ATOM 0 H LYS A 45 -16.698 -8.228 4.066 1.00 42.35 H new ATOM 0 HA LYS A 45 -15.888 -6.581 6.187 1.00 33.31 H new ATOM 0 HB2 LYS A 45 -15.039 -9.344 5.363 1.00 21.45 H new ATOM 0 HB3 LYS A 45 -14.299 -8.522 6.722 1.00 21.45 H new ATOM 0 HG2 LYS A 45 -16.646 -8.255 7.698 1.00 31.12 H new ATOM 0 HG3 LYS A 45 -17.212 -9.320 6.427 1.00 31.12 H new ATOM 0 HD2 LYS A 45 -15.601 -11.075 7.172 1.00 55.01 H new ATOM 0 HD3 LYS A 45 -15.017 -10.009 8.434 1.00 55.01 H new ATOM 0 HE2 LYS A 45 -17.843 -11.103 8.187 1.00 10.32 H new ATOM 0 HE3 LYS A 45 -16.623 -11.650 9.320 1.00 10.32 H new ATOM 0 HZ1 LYS A 45 -18.046 -10.193 10.463 1.00 25.01 H new ATOM 0 HZ2 LYS A 45 -16.601 -9.336 10.218 1.00 25.01 H new ATOM 0 HZ3 LYS A 45 -17.957 -9.006 9.252 1.00 25.01 H new ATOM 651 N VAL A 46 -13.745 -6.996 3.751 1.00 60.55 N ATOM 652 CA VAL A 46 -12.517 -6.453 3.166 1.00 25.43 C ATOM 653 C VAL A 46 -12.645 -4.928 3.029 1.00 11.21 C ATOM 654 O VAL A 46 -11.737 -4.172 3.400 1.00 13.13 O ATOM 655 CB VAL A 46 -12.221 -7.071 1.777 1.00 22.24 C ATOM 656 CG1 VAL A 46 -10.946 -6.494 1.185 1.00 52.41 C ATOM 657 CG2 VAL A 46 -12.129 -8.585 1.869 1.00 51.32 C ATOM 0 H VAL A 46 -14.260 -7.632 3.142 1.00 60.55 H new ATOM 0 HA VAL A 46 -11.690 -6.705 3.830 1.00 25.43 H new ATOM 0 HB VAL A 46 -13.048 -6.817 1.114 1.00 22.24 H new ATOM 0 HG11 VAL A 46 -10.761 -6.945 0.210 1.00 52.41 H new ATOM 0 HG12 VAL A 46 -11.053 -5.415 1.072 1.00 52.41 H new ATOM 0 HG13 VAL A 46 -10.108 -6.708 1.848 1.00 52.41 H new ATOM 0 HG21 VAL A 46 -11.921 -8.998 0.882 1.00 51.32 H new ATOM 0 HG22 VAL A 46 -11.327 -8.860 2.554 1.00 51.32 H new ATOM 0 HG23 VAL A 46 -13.074 -8.985 2.237 1.00 51.32 H new ATOM 667 N ALA A 47 -13.790 -4.494 2.534 1.00 14.13 N ATOM 668 CA ALA A 47 -14.096 -3.085 2.380 1.00 60.21 C ATOM 669 C ALA A 47 -14.092 -2.384 3.737 1.00 43.12 C ATOM 670 O ALA A 47 -13.669 -1.232 3.849 1.00 72.55 O ATOM 671 CB ALA A 47 -15.427 -2.902 1.674 1.00 63.44 C ATOM 0 H ALA A 47 -14.538 -5.115 2.226 1.00 14.13 H new ATOM 0 HA ALA A 47 -13.323 -2.628 1.763 1.00 60.21 H new ATOM 0 HB1 ALA A 47 -15.639 -1.838 1.568 1.00 63.44 H new ATOM 0 HB2 ALA A 47 -15.382 -3.363 0.687 1.00 63.44 H new ATOM 0 HB3 ALA A 47 -16.217 -3.373 2.259 1.00 63.44 H new ATOM 677 N GLN A 48 -14.564 -3.087 4.764 1.00 3.21 N ATOM 678 CA GLN A 48 -14.559 -2.576 6.127 1.00 24.35 C ATOM 679 C GLN A 48 -13.135 -2.321 6.574 1.00 22.53 C ATOM 680 O GLN A 48 -12.833 -1.253 7.044 1.00 15.14 O ATOM 681 CB GLN A 48 -15.232 -3.556 7.085 1.00 44.23 C ATOM 682 CG GLN A 48 -16.683 -3.784 6.764 1.00 54.31 C ATOM 683 CD GLN A 48 -17.349 -4.805 7.640 1.00 12.22 C ATOM 684 OE1 GLN A 48 -16.720 -5.734 8.151 1.00 3.41 O ATOM 685 NE2 GLN A 48 -18.627 -4.669 7.782 1.00 14.14 N ATOM 0 H GLN A 48 -14.959 -4.023 4.673 1.00 3.21 H new ATOM 0 HA GLN A 48 -15.121 -1.642 6.142 1.00 24.35 H new ATOM 0 HB2 GLN A 48 -14.704 -4.509 7.053 1.00 44.23 H new ATOM 0 HB3 GLN A 48 -15.145 -3.178 8.104 1.00 44.23 H new ATOM 0 HG2 GLN A 48 -17.218 -2.838 6.855 1.00 54.31 H new ATOM 0 HG3 GLN A 48 -16.769 -4.100 5.725 1.00 54.31 H new ATOM 0 HE21 GLN A 48 -19.108 -3.885 7.342 1.00 14.14 H new ATOM 0 HE22 GLN A 48 -19.154 -5.346 8.334 1.00 14.14 H new ATOM 694 N GLN A 49 -12.253 -3.294 6.325 1.00 64.33 N ATOM 695 CA GLN A 49 -10.820 -3.209 6.682 1.00 22.32 C ATOM 696 C GLN A 49 -10.173 -2.026 6.001 1.00 41.12 C ATOM 697 O GLN A 49 -9.397 -1.269 6.606 1.00 3.41 O ATOM 698 CB GLN A 49 -10.103 -4.475 6.247 1.00 11.21 C ATOM 699 CG GLN A 49 -10.659 -5.705 6.888 1.00 40.10 C ATOM 700 CD GLN A 49 -9.978 -6.972 6.442 1.00 12.04 C ATOM 701 OE1 GLN A 49 -8.789 -6.979 6.086 1.00 13.45 O ATOM 702 NE2 GLN A 49 -10.691 -8.060 6.497 1.00 2.34 N ATOM 0 H GLN A 49 -12.507 -4.170 5.868 1.00 64.33 H new ATOM 0 HA GLN A 49 -10.745 -3.090 7.763 1.00 22.32 H new ATOM 0 HB2 GLN A 49 -10.173 -4.572 5.164 1.00 11.21 H new ATOM 0 HB3 GLN A 49 -9.044 -4.390 6.492 1.00 11.21 H new ATOM 0 HG2 GLN A 49 -10.568 -5.614 7.970 1.00 40.10 H new ATOM 0 HG3 GLN A 49 -11.723 -5.774 6.662 1.00 40.10 H new ATOM 0 HE21 GLN A 49 -11.666 -8.016 6.794 1.00 2.34 H new ATOM 0 HE22 GLN A 49 -10.275 -8.956 6.243 1.00 2.34 H new ATOM 711 N LEU A 50 -10.523 -1.863 4.752 1.00 5.34 N ATOM 712 CA LEU A 50 -10.046 -0.754 3.933 1.00 72.11 C ATOM 713 C LEU A 50 -10.522 0.572 4.542 1.00 32.23 C ATOM 714 O LEU A 50 -9.803 1.567 4.550 1.00 64.34 O ATOM 715 CB LEU A 50 -10.571 -0.904 2.492 1.00 72.51 C ATOM 716 CG LEU A 50 -10.141 0.166 1.479 1.00 74.42 C ATOM 717 CD1 LEU A 50 -8.634 0.150 1.270 1.00 64.31 C ATOM 718 CD2 LEU A 50 -10.865 -0.031 0.158 1.00 12.03 C ATOM 0 H LEU A 50 -11.153 -2.497 4.260 1.00 5.34 H new ATOM 0 HA LEU A 50 -8.956 -0.761 3.907 1.00 72.11 H new ATOM 0 HB2 LEU A 50 -10.252 -1.876 2.115 1.00 72.51 H new ATOM 0 HB3 LEU A 50 -11.660 -0.918 2.528 1.00 72.51 H new ATOM 0 HG LEU A 50 -10.413 1.141 1.883 1.00 74.42 H new ATOM 0 HD11 LEU A 50 -8.359 0.918 0.548 1.00 64.31 H new ATOM 0 HD12 LEU A 50 -8.133 0.347 2.218 1.00 64.31 H new ATOM 0 HD13 LEU A 50 -8.329 -0.827 0.895 1.00 64.31 H new ATOM 0 HD21 LEU A 50 -10.548 0.736 -0.548 1.00 12.03 H new ATOM 0 HD22 LEU A 50 -10.626 -1.016 -0.244 1.00 12.03 H new ATOM 0 HD23 LEU A 50 -11.941 0.045 0.318 1.00 12.03 H new ATOM 730 N ARG A 51 -11.737 0.576 5.052 1.00 61.21 N ATOM 731 CA ARG A 51 -12.281 1.728 5.730 1.00 54.53 C ATOM 732 C ARG A 51 -11.620 1.962 7.099 1.00 12.45 C ATOM 733 O ARG A 51 -11.478 3.110 7.539 1.00 52.24 O ATOM 734 CB ARG A 51 -13.813 1.654 5.834 1.00 54.13 C ATOM 735 CG ARG A 51 -14.505 1.781 4.483 1.00 73.43 C ATOM 736 CD ARG A 51 -16.007 1.953 4.612 1.00 31.10 C ATOM 737 NE ARG A 51 -16.716 0.743 5.045 1.00 45.21 N ATOM 738 CZ ARG A 51 -17.851 0.747 5.778 1.00 75.11 C ATOM 739 NH1 ARG A 51 -18.273 1.874 6.371 1.00 1.04 N ATOM 740 NH2 ARG A 51 -18.557 -0.372 5.922 1.00 3.23 N ATOM 0 H ARG A 51 -12.372 -0.221 5.006 1.00 61.21 H new ATOM 0 HA ARG A 51 -12.043 2.598 5.118 1.00 54.53 H new ATOM 0 HB2 ARG A 51 -14.096 0.707 6.294 1.00 54.13 H new ATOM 0 HB3 ARG A 51 -14.166 2.447 6.494 1.00 54.13 H new ATOM 0 HG2 ARG A 51 -14.090 2.633 3.945 1.00 73.43 H new ATOM 0 HG3 ARG A 51 -14.294 0.894 3.886 1.00 73.43 H new ATOM 0 HD2 ARG A 51 -16.210 2.754 5.323 1.00 31.10 H new ATOM 0 HD3 ARG A 51 -16.409 2.272 3.650 1.00 31.10 H new ATOM 0 HE ARG A 51 -16.326 -0.160 4.775 1.00 45.21 H new ATOM 0 HH11 ARG A 51 -17.736 2.735 6.270 1.00 1.04 H new ATOM 0 HH12 ARG A 51 -19.131 1.870 6.923 1.00 1.04 H new ATOM 0 HH21 ARG A 51 -18.241 -1.235 5.479 1.00 3.23 H new ATOM 0 HH22 ARG A 51 -19.414 -0.367 6.476 1.00 3.23 H new ATOM 754 N GLU A 52 -11.160 0.890 7.728 1.00 44.23 N ATOM 755 CA GLU A 52 -10.537 0.968 9.050 1.00 51.51 C ATOM 756 C GLU A 52 -9.115 1.509 8.936 1.00 31.21 C ATOM 757 O GLU A 52 -8.496 1.863 9.936 1.00 13.41 O ATOM 758 CB GLU A 52 -10.467 -0.422 9.700 1.00 0.45 C ATOM 759 CG GLU A 52 -11.792 -1.146 9.852 1.00 50.25 C ATOM 760 CD GLU A 52 -11.634 -2.521 10.474 1.00 55.11 C ATOM 761 OE1 GLU A 52 -10.801 -3.337 9.989 1.00 74.54 O ATOM 762 OE2 GLU A 52 -12.337 -2.822 11.460 1.00 1.34 O ATOM 0 H GLU A 52 -11.205 -0.054 7.343 1.00 44.23 H new ATOM 0 HA GLU A 52 -11.146 1.634 9.662 1.00 51.51 H new ATOM 0 HB2 GLU A 52 -9.799 -1.047 9.107 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -10.015 -0.319 10.687 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -12.461 -0.546 10.469 1.00 50.25 H new ATOM 0 HG3 GLU A 52 -12.263 -1.245 8.874 1.00 50.25 H new ATOM 769 N GLY A 53 -8.607 1.569 7.718 1.00 50.43 N ATOM 770 CA GLY A 53 -7.251 2.017 7.502 1.00 31.31 C ATOM 771 C GLY A 53 -6.272 0.907 7.802 1.00 33.21 C ATOM 772 O GLY A 53 -5.100 1.143 8.082 1.00 62.23 O ATOM 0 H GLY A 53 -9.113 1.314 6.870 1.00 50.43 H new ATOM 0 HA2 GLY A 53 -7.131 2.346 6.470 1.00 31.31 H new ATOM 0 HA3 GLY A 53 -7.040 2.877 8.138 1.00 31.31 H new ATOM 776 N HIS A 54 -6.765 -0.319 7.739 1.00 54.34 N ATOM 777 CA HIS A 54 -5.949 -1.487 8.027 1.00 70.34 C ATOM 778 C HIS A 54 -5.367 -2.068 6.760 1.00 23.42 C ATOM 779 O HIS A 54 -4.649 -3.068 6.790 1.00 31.25 O ATOM 780 CB HIS A 54 -6.741 -2.560 8.787 1.00 12.12 C ATOM 781 CG HIS A 54 -7.106 -2.198 10.198 1.00 43.14 C ATOM 782 ND1 HIS A 54 -8.278 -2.576 10.813 1.00 32.02 N ATOM 783 CD2 HIS A 54 -6.388 -1.550 11.145 1.00 42.34 C ATOM 784 CE1 HIS A 54 -8.226 -2.168 12.081 1.00 42.33 C ATOM 785 NE2 HIS A 54 -7.102 -1.535 12.337 1.00 31.31 N ATOM 0 H HIS A 54 -7.731 -0.532 7.490 1.00 54.34 H new ATOM 0 HA HIS A 54 -5.131 -1.156 8.667 1.00 70.34 H new ATOM 0 HB2 HIS A 54 -7.656 -2.775 8.235 1.00 12.12 H new ATOM 0 HB3 HIS A 54 -6.155 -3.479 8.803 1.00 12.12 H new ATOM 0 HD1 HIS A 54 -9.050 -3.079 10.376 1.00 32.02 H new ATOM 0 HD2 HIS A 54 -5.412 -1.113 10.997 1.00 42.34 H new ATOM 0 HE1 HIS A 54 -9.008 -2.336 12.807 1.00 42.33 H new ATOM 793 N LEU A 55 -5.688 -1.450 5.655 1.00 10.54 N ATOM 794 CA LEU A 55 -5.219 -1.859 4.370 1.00 65.32 C ATOM 795 C LEU A 55 -5.450 -0.684 3.435 1.00 74.53 C ATOM 796 O LEU A 55 -6.334 0.134 3.706 1.00 53.11 O ATOM 797 CB LEU A 55 -6.013 -3.099 3.915 1.00 63.32 C ATOM 798 CG LEU A 55 -5.530 -3.828 2.663 1.00 21.24 C ATOM 799 CD1 LEU A 55 -4.089 -4.302 2.834 1.00 54.43 C ATOM 800 CD2 LEU A 55 -6.438 -5.010 2.380 1.00 0.21 C ATOM 0 H LEU A 55 -6.296 -0.631 5.629 1.00 10.54 H new ATOM 0 HA LEU A 55 -4.163 -2.130 4.381 1.00 65.32 H new ATOM 0 HB2 LEU A 55 -6.020 -3.814 4.738 1.00 63.32 H new ATOM 0 HB3 LEU A 55 -7.046 -2.794 3.749 1.00 63.32 H new ATOM 0 HG LEU A 55 -5.563 -3.136 1.821 1.00 21.24 H new ATOM 0 HD11 LEU A 55 -3.766 -4.819 1.930 1.00 54.43 H new ATOM 0 HD12 LEU A 55 -3.442 -3.443 3.012 1.00 54.43 H new ATOM 0 HD13 LEU A 55 -4.028 -4.984 3.683 1.00 54.43 H new ATOM 0 HD21 LEU A 55 -6.092 -5.529 1.486 1.00 0.21 H new ATOM 0 HD22 LEU A 55 -6.419 -5.695 3.228 1.00 0.21 H new ATOM 0 HD23 LEU A 55 -7.457 -4.657 2.222 1.00 0.21 H new ATOM 812 N VAL A 56 -4.659 -0.564 2.389 1.00 3.13 N ATOM 813 CA VAL A 56 -4.817 0.520 1.446 1.00 10.23 C ATOM 814 C VAL A 56 -4.799 -0.045 0.034 1.00 1.03 C ATOM 815 O VAL A 56 -4.150 -1.068 -0.222 1.00 14.45 O ATOM 816 CB VAL A 56 -3.716 1.622 1.637 1.00 0.10 C ATOM 817 CG1 VAL A 56 -2.319 1.089 1.384 1.00 60.43 C ATOM 818 CG2 VAL A 56 -3.986 2.861 0.792 1.00 71.33 C ATOM 0 H VAL A 56 -3.898 -1.207 2.171 1.00 3.13 H new ATOM 0 HA VAL A 56 -5.775 1.008 1.626 1.00 10.23 H new ATOM 0 HB VAL A 56 -3.769 1.921 2.684 1.00 0.10 H new ATOM 0 HG11 VAL A 56 -1.593 1.889 1.529 1.00 60.43 H new ATOM 0 HG12 VAL A 56 -2.108 0.277 2.080 1.00 60.43 H new ATOM 0 HG13 VAL A 56 -2.251 0.718 0.361 1.00 60.43 H new ATOM 0 HG21 VAL A 56 -3.197 3.594 0.959 1.00 71.33 H new ATOM 0 HG22 VAL A 56 -4.008 2.585 -0.262 1.00 71.33 H new ATOM 0 HG23 VAL A 56 -4.947 3.292 1.074 1.00 71.33 H new ATOM 828 N ALA A 57 -5.524 0.586 -0.844 1.00 75.32 N ATOM 829 CA ALA A 57 -5.639 0.142 -2.209 1.00 74.31 C ATOM 830 C ALA A 57 -5.191 1.242 -3.152 1.00 3.13 C ATOM 831 O ALA A 57 -5.265 2.421 -2.805 1.00 61.11 O ATOM 832 CB ALA A 57 -7.075 -0.255 -2.503 1.00 74.43 C ATOM 0 H ALA A 57 -6.057 1.430 -0.634 1.00 75.32 H new ATOM 0 HA ALA A 57 -4.998 -0.727 -2.358 1.00 74.31 H new ATOM 0 HB1 ALA A 57 -7.155 -0.590 -3.537 1.00 74.43 H new ATOM 0 HB2 ALA A 57 -7.373 -1.064 -1.835 1.00 74.43 H new ATOM 0 HB3 ALA A 57 -7.729 0.603 -2.348 1.00 74.43 H new ATOM 838 N VAL A 58 -4.748 0.843 -4.322 1.00 11.21 N ATOM 839 CA VAL A 58 -4.266 1.736 -5.364 1.00 62.24 C ATOM 840 C VAL A 58 -4.976 1.415 -6.658 1.00 75.15 C ATOM 841 O VAL A 58 -5.630 0.381 -6.770 1.00 73.33 O ATOM 842 CB VAL A 58 -2.730 1.623 -5.600 1.00 23.23 C ATOM 843 CG1 VAL A 58 -1.964 2.135 -4.411 1.00 53.34 C ATOM 844 CG2 VAL A 58 -2.316 0.185 -5.913 1.00 61.51 C ATOM 0 H VAL A 58 -4.710 -0.141 -4.588 1.00 11.21 H new ATOM 0 HA VAL A 58 -4.475 2.754 -5.034 1.00 62.24 H new ATOM 0 HB VAL A 58 -2.489 2.242 -6.464 1.00 23.23 H new ATOM 0 HG11 VAL A 58 -0.894 2.045 -4.601 1.00 53.34 H new ATOM 0 HG12 VAL A 58 -2.215 3.182 -4.239 1.00 53.34 H new ATOM 0 HG13 VAL A 58 -2.226 1.550 -3.530 1.00 53.34 H new ATOM 0 HG21 VAL A 58 -1.238 0.143 -6.072 1.00 61.51 H new ATOM 0 HG22 VAL A 58 -2.585 -0.461 -5.077 1.00 61.51 H new ATOM 0 HG23 VAL A 58 -2.829 -0.154 -6.813 1.00 61.51 H new ATOM 854 N ARG A 59 -4.867 2.278 -7.618 1.00 53.25 N ATOM 855 CA ARG A 59 -5.489 2.053 -8.895 1.00 15.34 C ATOM 856 C ARG A 59 -4.434 1.804 -9.937 1.00 22.32 C ATOM 857 O ARG A 59 -3.472 2.565 -10.041 1.00 70.24 O ATOM 858 CB ARG A 59 -6.313 3.258 -9.319 1.00 14.53 C ATOM 859 CG ARG A 59 -7.437 3.631 -8.377 1.00 13.31 C ATOM 860 CD ARG A 59 -8.115 4.912 -8.832 1.00 71.13 C ATOM 861 NE ARG A 59 -7.155 6.031 -8.918 1.00 54.11 N ATOM 862 CZ ARG A 59 -7.462 7.326 -8.847 1.00 62.12 C ATOM 863 NH1 ARG A 59 -8.723 7.709 -8.729 1.00 14.22 N ATOM 864 NH2 ARG A 59 -6.498 8.238 -8.936 1.00 63.14 N ATOM 0 H ARG A 59 -4.349 3.154 -7.545 1.00 53.25 H new ATOM 0 HA ARG A 59 -6.144 1.187 -8.802 1.00 15.34 H new ATOM 0 HB2 ARG A 59 -5.648 4.115 -9.423 1.00 14.53 H new ATOM 0 HB3 ARG A 59 -6.736 3.061 -10.304 1.00 14.53 H new ATOM 0 HG2 ARG A 59 -8.167 2.822 -8.335 1.00 13.31 H new ATOM 0 HG3 ARG A 59 -7.045 3.759 -7.368 1.00 13.31 H new ATOM 0 HD2 ARG A 59 -8.579 4.753 -9.806 1.00 71.13 H new ATOM 0 HD3 ARG A 59 -8.914 5.169 -8.136 1.00 71.13 H new ATOM 0 HE ARG A 59 -6.171 5.792 -9.043 1.00 54.11 H new ATOM 0 HH11 ARG A 59 -9.466 7.012 -8.692 1.00 14.22 H new ATOM 0 HH12 ARG A 59 -8.952 8.702 -8.675 1.00 14.22 H new ATOM 0 HH21 ARG A 59 -5.529 7.945 -9.058 1.00 63.14 H new ATOM 0 HH22 ARG A 59 -6.728 9.230 -8.882 1.00 63.14 H new ATOM 878 N ARG A 60 -4.588 0.740 -10.685 1.00 11.31 N ATOM 879 CA ARG A 60 -3.719 0.493 -11.804 1.00 70.13 C ATOM 880 C ARG A 60 -4.607 0.313 -13.009 1.00 45.50 C ATOM 881 O ARG A 60 -5.583 -0.453 -12.953 1.00 21.25 O ATOM 882 CB ARG A 60 -2.777 -0.728 -11.615 1.00 21.00 C ATOM 883 CG ARG A 60 -3.425 -2.093 -11.764 1.00 62.22 C ATOM 884 CD ARG A 60 -2.396 -3.199 -11.731 1.00 40.02 C ATOM 885 NE ARG A 60 -2.985 -4.477 -12.115 1.00 54.15 N ATOM 886 CZ ARG A 60 -2.436 -5.679 -11.924 1.00 51.43 C ATOM 887 NH1 ARG A 60 -1.249 -5.794 -11.328 1.00 14.11 N ATOM 888 NH2 ARG A 60 -3.069 -6.753 -12.347 1.00 13.34 N ATOM 0 H ARG A 60 -5.308 0.032 -10.538 1.00 11.31 H new ATOM 0 HA ARG A 60 -3.042 1.339 -11.920 1.00 70.13 H new ATOM 0 HB2 ARG A 60 -1.965 -0.652 -12.338 1.00 21.00 H new ATOM 0 HB3 ARG A 60 -2.328 -0.666 -10.624 1.00 21.00 H new ATOM 0 HG2 ARG A 60 -4.149 -2.243 -10.963 1.00 62.22 H new ATOM 0 HG3 ARG A 60 -3.976 -2.135 -12.703 1.00 62.22 H new ATOM 0 HD2 ARG A 60 -1.575 -2.956 -12.406 1.00 40.02 H new ATOM 0 HD3 ARG A 60 -1.973 -3.276 -10.729 1.00 40.02 H new ATOM 0 HE ARG A 60 -3.898 -4.450 -12.570 1.00 54.15 H new ATOM 0 HH11 ARG A 60 -0.753 -4.960 -11.014 1.00 14.11 H new ATOM 0 HH12 ARG A 60 -0.837 -6.716 -11.186 1.00 14.11 H new ATOM 0 HH21 ARG A 60 -3.970 -6.662 -12.816 1.00 13.34 H new ATOM 0 HH22 ARG A 60 -2.658 -7.676 -12.206 1.00 13.34 H new ATOM 902 N ALA A 61 -4.373 1.116 -14.033 1.00 60.03 N ATOM 903 CA ALA A 61 -5.129 1.092 -15.304 1.00 4.20 C ATOM 904 C ALA A 61 -6.579 1.609 -15.149 1.00 31.01 C ATOM 905 O ALA A 61 -7.233 1.958 -16.134 1.00 12.20 O ATOM 906 CB ALA A 61 -5.101 -0.298 -15.947 1.00 23.04 C ATOM 0 H ALA A 61 -3.639 1.824 -14.018 1.00 60.03 H new ATOM 0 HA ALA A 61 -4.622 1.785 -15.975 1.00 4.20 H new ATOM 0 HB1 ALA A 61 -5.666 -0.279 -16.879 1.00 23.04 H new ATOM 0 HB2 ALA A 61 -4.069 -0.582 -16.154 1.00 23.04 H new ATOM 0 HB3 ALA A 61 -5.548 -1.023 -15.266 1.00 23.04 H new ATOM 912 N GLY A 62 -7.050 1.689 -13.934 1.00 35.32 N ATOM 913 CA GLY A 62 -8.396 2.101 -13.669 1.00 63.32 C ATOM 914 C GLY A 62 -9.044 1.197 -12.675 1.00 24.43 C ATOM 915 O GLY A 62 -10.091 1.514 -12.128 1.00 42.33 O ATOM 0 H GLY A 62 -6.507 1.469 -13.099 1.00 35.32 H new ATOM 0 HA2 GLY A 62 -8.400 3.124 -13.293 1.00 63.32 H new ATOM 0 HA3 GLY A 62 -8.970 2.100 -14.596 1.00 63.32 H new ATOM 919 N GLY A 63 -8.422 0.068 -12.439 1.00 13.11 N ATOM 920 CA GLY A 63 -8.951 -0.871 -11.498 1.00 32.13 C ATOM 921 C GLY A 63 -8.370 -0.646 -10.140 1.00 63.15 C ATOM 922 O GLY A 63 -7.237 -0.157 -10.020 1.00 21.41 O ATOM 0 H GLY A 63 -7.551 -0.217 -12.887 1.00 13.11 H new ATOM 0 HA2 GLY A 63 -10.036 -0.777 -11.454 1.00 32.13 H new ATOM 0 HA3 GLY A 63 -8.732 -1.886 -11.828 1.00 32.13 H new ATOM 926 N VAL A 64 -9.108 -1.004 -9.125 1.00 71.52 N ATOM 927 CA VAL A 64 -8.656 -0.833 -7.770 1.00 2.34 C ATOM 928 C VAL A 64 -8.069 -2.146 -7.309 1.00 20.44 C ATOM 929 O VAL A 64 -8.744 -3.176 -7.314 1.00 25.44 O ATOM 930 CB VAL A 64 -9.822 -0.412 -6.826 1.00 10.40 C ATOM 931 CG1 VAL A 64 -9.337 -0.236 -5.395 1.00 31.12 C ATOM 932 CG2 VAL A 64 -10.478 0.871 -7.318 1.00 14.54 C ATOM 0 H VAL A 64 -10.035 -1.420 -9.212 1.00 71.52 H new ATOM 0 HA VAL A 64 -7.910 -0.039 -7.736 1.00 2.34 H new ATOM 0 HB VAL A 64 -10.562 -1.212 -6.840 1.00 10.40 H new ATOM 0 HG11 VAL A 64 -10.173 0.058 -4.761 1.00 31.12 H new ATOM 0 HG12 VAL A 64 -8.920 -1.176 -5.034 1.00 31.12 H new ATOM 0 HG13 VAL A 64 -8.569 0.537 -5.364 1.00 31.12 H new ATOM 0 HG21 VAL A 64 -11.289 1.146 -6.644 1.00 14.54 H new ATOM 0 HG22 VAL A 64 -9.739 1.672 -7.342 1.00 14.54 H new ATOM 0 HG23 VAL A 64 -10.876 0.715 -8.320 1.00 14.54 H new ATOM 942 N VAL A 65 -6.822 -2.103 -6.941 1.00 23.30 N ATOM 943 CA VAL A 65 -6.078 -3.272 -6.563 1.00 24.45 C ATOM 944 C VAL A 65 -5.272 -3.025 -5.319 1.00 24.41 C ATOM 945 O VAL A 65 -5.005 -1.882 -4.937 1.00 43.43 O ATOM 946 CB VAL A 65 -5.131 -3.755 -7.698 1.00 63.31 C ATOM 947 CG1 VAL A 65 -5.928 -4.351 -8.838 1.00 12.43 C ATOM 948 CG2 VAL A 65 -4.264 -2.609 -8.207 1.00 1.11 C ATOM 0 H VAL A 65 -6.282 -1.239 -6.894 1.00 23.30 H new ATOM 0 HA VAL A 65 -6.813 -4.054 -6.370 1.00 24.45 H new ATOM 0 HB VAL A 65 -4.478 -4.525 -7.286 1.00 63.31 H new ATOM 0 HG11 VAL A 65 -5.248 -4.683 -9.623 1.00 12.43 H new ATOM 0 HG12 VAL A 65 -6.505 -5.201 -8.473 1.00 12.43 H new ATOM 0 HG13 VAL A 65 -6.606 -3.598 -9.240 1.00 12.43 H new ATOM 0 HG21 VAL A 65 -3.610 -2.972 -9.000 1.00 1.11 H new ATOM 0 HG22 VAL A 65 -4.902 -1.816 -8.597 1.00 1.11 H new ATOM 0 HG23 VAL A 65 -3.659 -2.219 -7.388 1.00 1.11 H new ATOM 958 N ILE A 66 -4.905 -4.089 -4.697 1.00 52.24 N ATOM 959 CA ILE A 66 -4.126 -4.087 -3.509 1.00 22.13 C ATOM 960 C ILE A 66 -2.879 -4.922 -3.792 1.00 52.52 C ATOM 961 O ILE A 66 -2.991 -6.045 -4.295 1.00 62.44 O ATOM 962 CB ILE A 66 -4.939 -4.702 -2.331 1.00 21.43 C ATOM 963 CG1 ILE A 66 -6.252 -3.914 -2.145 1.00 41.22 C ATOM 964 CG2 ILE A 66 -4.114 -4.680 -1.044 1.00 74.44 C ATOM 965 CD1 ILE A 66 -7.215 -4.504 -1.146 1.00 43.45 C ATOM 0 H ILE A 66 -5.150 -5.026 -5.016 1.00 52.24 H new ATOM 0 HA ILE A 66 -3.853 -3.071 -3.223 1.00 22.13 H new ATOM 0 HB ILE A 66 -5.176 -5.740 -2.564 1.00 21.43 H new ATOM 0 HG12 ILE A 66 -6.007 -2.898 -1.834 1.00 41.22 H new ATOM 0 HG13 ILE A 66 -6.753 -3.840 -3.110 1.00 41.22 H new ATOM 0 HG21 ILE A 66 -4.697 -5.113 -0.231 1.00 74.44 H new ATOM 0 HG22 ILE A 66 -3.202 -5.260 -1.186 1.00 74.44 H new ATOM 0 HG23 ILE A 66 -3.854 -3.651 -0.796 1.00 74.44 H new ATOM 0 HD11 ILE A 66 -8.106 -3.879 -1.087 1.00 43.45 H new ATOM 0 HD12 ILE A 66 -7.497 -5.508 -1.462 1.00 43.45 H new ATOM 0 HD13 ILE A 66 -6.739 -4.552 -0.166 1.00 43.45 H new ATOM 977 N PRO A 67 -1.685 -4.369 -3.571 1.00 75.24 N ATOM 978 CA PRO A 67 -0.428 -5.076 -3.816 1.00 12.20 C ATOM 979 C PRO A 67 -0.312 -6.404 -3.058 1.00 42.31 C ATOM 980 O PRO A 67 -0.677 -6.496 -1.884 1.00 64.25 O ATOM 981 CB PRO A 67 0.633 -4.104 -3.315 1.00 54.54 C ATOM 982 CG PRO A 67 -0.005 -2.776 -3.412 1.00 54.24 C ATOM 983 CD PRO A 67 -1.450 -2.996 -3.090 1.00 44.25 C ATOM 0 HA PRO A 67 -0.335 -5.347 -4.868 1.00 12.20 H new ATOM 0 HB2 PRO A 67 0.925 -4.330 -2.289 1.00 54.54 H new ATOM 0 HB3 PRO A 67 1.537 -4.155 -3.922 1.00 54.54 H new ATOM 0 HG2 PRO A 67 0.449 -2.072 -2.715 1.00 54.24 H new ATOM 0 HG3 PRO A 67 0.114 -2.357 -4.411 1.00 54.24 H new ATOM 0 HD2 PRO A 67 -1.645 -2.902 -2.022 1.00 44.25 H new ATOM 0 HD3 PRO A 67 -2.092 -2.275 -3.596 1.00 44.25 H new ATOM 991 N GLN A 68 0.230 -7.415 -3.752 1.00 24.13 N ATOM 992 CA GLN A 68 0.473 -8.766 -3.203 1.00 22.24 C ATOM 993 C GLN A 68 1.291 -8.673 -1.925 1.00 44.25 C ATOM 994 O GLN A 68 1.061 -9.378 -0.954 1.00 70.25 O ATOM 995 CB GLN A 68 1.302 -9.565 -4.219 1.00 24.32 C ATOM 996 CG GLN A 68 1.612 -10.992 -3.780 1.00 33.03 C ATOM 997 CD GLN A 68 0.399 -11.882 -3.789 1.00 0.11 C ATOM 998 OE1 GLN A 68 0.277 -12.780 -2.961 1.00 1.34 O ATOM 999 NE2 GLN A 68 -0.454 -11.711 -4.773 1.00 62.22 N ATOM 0 H GLN A 68 0.518 -7.320 -4.726 1.00 24.13 H new ATOM 0 HA GLN A 68 -0.486 -9.243 -3.001 1.00 22.24 H new ATOM 0 HB2 GLN A 68 0.765 -9.596 -5.167 1.00 24.32 H new ATOM 0 HB3 GLN A 68 2.240 -9.040 -4.401 1.00 24.32 H new ATOM 0 HG2 GLN A 68 2.371 -11.413 -4.439 1.00 33.03 H new ATOM 0 HG3 GLN A 68 2.036 -10.974 -2.776 1.00 33.03 H new ATOM 0 HE21 GLN A 68 -0.317 -10.952 -5.441 1.00 62.22 H new ATOM 0 HE22 GLN A 68 -1.253 -12.337 -4.869 1.00 62.22 H new ATOM 1008 N VAL A 69 2.202 -7.742 -1.956 1.00 14.11 N ATOM 1009 CA VAL A 69 3.195 -7.522 -0.933 1.00 10.24 C ATOM 1010 C VAL A 69 2.630 -6.918 0.368 1.00 74.45 C ATOM 1011 O VAL A 69 3.375 -6.622 1.286 1.00 4.00 O ATOM 1012 CB VAL A 69 4.313 -6.636 -1.491 1.00 50.01 C ATOM 1013 CG1 VAL A 69 4.993 -7.318 -2.675 1.00 1.42 C ATOM 1014 CG2 VAL A 69 3.767 -5.275 -1.901 1.00 63.10 C ATOM 0 H VAL A 69 2.279 -7.083 -2.730 1.00 14.11 H new ATOM 0 HA VAL A 69 3.585 -8.502 -0.658 1.00 10.24 H new ATOM 0 HB VAL A 69 5.054 -6.484 -0.706 1.00 50.01 H new ATOM 0 HG11 VAL A 69 5.785 -6.675 -3.060 1.00 1.42 H new ATOM 0 HG12 VAL A 69 5.421 -8.267 -2.352 1.00 1.42 H new ATOM 0 HG13 VAL A 69 4.260 -7.500 -3.461 1.00 1.42 H new ATOM 0 HG21 VAL A 69 4.577 -4.661 -2.295 1.00 63.10 H new ATOM 0 HG22 VAL A 69 3.005 -5.405 -2.669 1.00 63.10 H new ATOM 0 HG23 VAL A 69 3.328 -4.783 -1.033 1.00 63.10 H new ATOM 1024 N PHE A 70 1.333 -6.719 0.425 1.00 64.23 N ATOM 1025 CA PHE A 70 0.692 -6.262 1.646 1.00 62.32 C ATOM 1026 C PHE A 70 0.159 -7.453 2.413 1.00 73.34 C ATOM 1027 O PHE A 70 -0.391 -7.329 3.521 1.00 62.45 O ATOM 1028 CB PHE A 70 -0.416 -5.244 1.350 1.00 12.04 C ATOM 1029 CG PHE A 70 0.084 -3.831 1.179 1.00 55.11 C ATOM 1030 CD1 PHE A 70 1.081 -3.519 0.269 1.00 1.03 C ATOM 1031 CD2 PHE A 70 -0.434 -2.816 1.961 1.00 74.43 C ATOM 1032 CE1 PHE A 70 1.540 -2.223 0.142 1.00 60.22 C ATOM 1033 CE2 PHE A 70 0.018 -1.528 1.841 1.00 15.43 C ATOM 1034 CZ PHE A 70 1.002 -1.227 0.933 1.00 44.51 C ATOM 0 H PHE A 70 0.697 -6.865 -0.359 1.00 64.23 H new ATOM 0 HA PHE A 70 1.432 -5.751 2.261 1.00 62.32 H new ATOM 0 HB2 PHE A 70 -0.941 -5.546 0.444 1.00 12.04 H new ATOM 0 HB3 PHE A 70 -1.143 -5.266 2.162 1.00 12.04 H new ATOM 0 HD1 PHE A 70 1.504 -4.298 -0.348 1.00 1.03 H new ATOM 0 HD2 PHE A 70 -1.208 -3.042 2.679 1.00 74.43 H new ATOM 0 HE1 PHE A 70 2.316 -1.989 -0.572 1.00 60.22 H new ATOM 0 HE2 PHE A 70 -0.400 -0.749 2.461 1.00 15.43 H new ATOM 0 HZ PHE A 70 1.356 -0.211 0.837 1.00 44.51 H new ATOM 1044 N PHE A 71 0.345 -8.610 1.825 1.00 1.33 N ATOM 1045 CA PHE A 71 -0.086 -9.836 2.406 1.00 54.12 C ATOM 1046 C PHE A 71 1.086 -10.749 2.586 1.00 14.14 C ATOM 1047 O PHE A 71 1.952 -10.854 1.712 1.00 52.24 O ATOM 1048 CB PHE A 71 -1.152 -10.513 1.550 1.00 65.33 C ATOM 1049 CG PHE A 71 -2.407 -9.715 1.419 1.00 64.01 C ATOM 1050 CD1 PHE A 71 -3.421 -9.840 2.347 1.00 73.51 C ATOM 1051 CD2 PHE A 71 -2.572 -8.842 0.368 1.00 34.22 C ATOM 1052 CE1 PHE A 71 -4.579 -9.105 2.222 1.00 14.35 C ATOM 1053 CE2 PHE A 71 -3.721 -8.107 0.235 1.00 12.44 C ATOM 1054 CZ PHE A 71 -4.728 -8.237 1.161 1.00 54.11 C ATOM 0 H PHE A 71 0.805 -8.717 0.921 1.00 1.33 H new ATOM 0 HA PHE A 71 -0.529 -9.616 3.377 1.00 54.12 H new ATOM 0 HB2 PHE A 71 -0.744 -10.699 0.556 1.00 65.33 H new ATOM 0 HB3 PHE A 71 -1.392 -11.484 1.983 1.00 65.33 H new ATOM 0 HD1 PHE A 71 -3.305 -10.520 3.178 1.00 73.51 H new ATOM 0 HD2 PHE A 71 -1.784 -8.735 -0.363 1.00 34.22 H new ATOM 0 HE1 PHE A 71 -5.368 -9.208 2.953 1.00 14.35 H new ATOM 0 HE2 PHE A 71 -3.835 -7.427 -0.596 1.00 12.44 H new ATOM 0 HZ PHE A 71 -5.635 -7.660 1.058 1.00 54.11 H new ATOM 1064 N THR A 72 1.097 -11.413 3.697 1.00 44.42 N ATOM 1065 CA THR A 72 2.155 -12.317 4.051 1.00 23.52 C ATOM 1066 C THR A 72 1.956 -13.645 3.324 1.00 0.52 C ATOM 1067 O THR A 72 0.879 -13.893 2.760 1.00 22.32 O ATOM 1068 CB THR A 72 2.121 -12.572 5.575 1.00 70.04 C ATOM 1069 OG1 THR A 72 0.813 -13.057 5.934 1.00 51.11 O ATOM 1070 CG2 THR A 72 2.411 -11.294 6.361 1.00 23.15 C ATOM 0 H THR A 72 0.360 -11.344 4.399 1.00 44.42 H new ATOM 0 HA THR A 72 3.113 -11.881 3.767 1.00 23.52 H new ATOM 0 HB THR A 72 2.889 -13.305 5.820 1.00 70.04 H new ATOM 0 HG1 THR A 72 0.164 -12.325 5.872 1.00 51.11 H new ATOM 0 HG21 THR A 72 2.379 -11.509 7.429 1.00 23.15 H new ATOM 0 HG22 THR A 72 3.400 -10.920 6.095 1.00 23.15 H new ATOM 0 HG23 THR A 72 1.661 -10.541 6.120 1.00 23.15 H new ATOM 1078 N ASN A 73 2.968 -14.508 3.366 1.00 20.22 N ATOM 1079 CA ASN A 73 2.896 -15.866 2.782 1.00 52.25 C ATOM 1080 C ASN A 73 1.736 -16.675 3.387 1.00 73.34 C ATOM 1081 O ASN A 73 1.209 -17.589 2.759 1.00 54.21 O ATOM 1082 CB ASN A 73 4.221 -16.644 2.993 1.00 61.44 C ATOM 1083 CG ASN A 73 4.568 -16.877 4.466 1.00 70.41 C ATOM 1084 OD1 ASN A 73 4.150 -17.866 5.077 1.00 1.21 O ATOM 1085 ND2 ASN A 73 5.345 -15.990 5.037 1.00 44.53 N ATOM 0 H ASN A 73 3.865 -14.296 3.803 1.00 20.22 H new ATOM 0 HA ASN A 73 2.724 -15.739 1.713 1.00 52.25 H new ATOM 0 HB2 ASN A 73 4.151 -17.608 2.488 1.00 61.44 H new ATOM 0 HB3 ASN A 73 5.034 -16.094 2.519 1.00 61.44 H new ATOM 0 HD21 ASN A 73 5.621 -16.106 6.012 1.00 44.53 H new ATOM 0 HD22 ASN A 73 5.674 -15.184 4.506 1.00 44.53 H new ATOM 1092 N SER A 74 1.318 -16.292 4.587 1.00 40.15 N ATOM 1093 CA SER A 74 0.261 -16.976 5.290 1.00 3.53 C ATOM 1094 C SER A 74 -1.118 -16.533 4.750 1.00 73.30 C ATOM 1095 O SER A 74 -2.150 -17.097 5.110 1.00 24.11 O ATOM 1096 CB SER A 74 0.390 -16.696 6.802 1.00 0.42 C ATOM 1097 OG SER A 74 -0.505 -17.484 7.567 1.00 4.33 O ATOM 0 H SER A 74 1.708 -15.497 5.093 1.00 40.15 H new ATOM 0 HA SER A 74 0.347 -18.050 5.127 1.00 3.53 H new ATOM 0 HB2 SER A 74 1.413 -16.896 7.122 1.00 0.42 H new ATOM 0 HB3 SER A 74 0.197 -15.640 6.993 1.00 0.42 H new ATOM 0 HG SER A 74 -1.288 -17.711 7.023 1.00 4.33 H new ATOM 1103 N GLY A 75 -1.122 -15.520 3.893 1.00 40.35 N ATOM 1104 CA GLY A 75 -2.353 -15.053 3.299 1.00 55.55 C ATOM 1105 C GLY A 75 -3.102 -14.096 4.189 1.00 50.54 C ATOM 1106 O GLY A 75 -4.292 -13.877 4.009 1.00 65.33 O ATOM 0 H GLY A 75 -0.287 -15.013 3.599 1.00 40.35 H new ATOM 0 HA2 GLY A 75 -2.131 -14.563 2.351 1.00 55.55 H new ATOM 0 HA3 GLY A 75 -2.990 -15.908 3.074 1.00 55.55 H new ATOM 1110 N GLN A 76 -2.416 -13.536 5.153 1.00 11.43 N ATOM 1111 CA GLN A 76 -3.021 -12.591 6.060 1.00 61.32 C ATOM 1112 C GLN A 76 -2.308 -11.263 5.937 1.00 20.30 C ATOM 1113 O GLN A 76 -1.172 -11.208 5.419 1.00 32.42 O ATOM 1114 CB GLN A 76 -2.978 -13.106 7.511 1.00 72.44 C ATOM 1115 CG GLN A 76 -1.575 -13.355 8.054 1.00 32.44 C ATOM 1116 CD GLN A 76 -1.574 -13.847 9.488 1.00 43.45 C ATOM 1117 OE1 GLN A 76 -2.511 -14.509 9.933 1.00 42.32 O ATOM 1118 NE2 GLN A 76 -0.531 -13.544 10.214 1.00 21.31 N ATOM 0 H GLN A 76 -1.429 -13.720 5.332 1.00 11.43 H new ATOM 0 HA GLN A 76 -4.071 -12.464 5.795 1.00 61.32 H new ATOM 0 HB2 GLN A 76 -3.480 -12.383 8.154 1.00 72.44 H new ATOM 0 HB3 GLN A 76 -3.547 -14.034 7.570 1.00 72.44 H new ATOM 0 HG2 GLN A 76 -1.072 -14.088 7.424 1.00 32.44 H new ATOM 0 HG3 GLN A 76 -0.998 -12.432 7.992 1.00 32.44 H new ATOM 0 HE21 GLN A 76 0.228 -12.993 9.812 1.00 21.31 H new ATOM 0 HE22 GLN A 76 -0.475 -13.858 11.183 1.00 21.31 H new ATOM 1127 N VAL A 77 -2.940 -10.214 6.399 1.00 52.21 N ATOM 1128 CA VAL A 77 -2.367 -8.884 6.333 1.00 72.33 C ATOM 1129 C VAL A 77 -1.283 -8.775 7.401 1.00 52.04 C ATOM 1130 O VAL A 77 -1.391 -9.413 8.458 1.00 11.34 O ATOM 1131 CB VAL A 77 -3.458 -7.787 6.569 1.00 33.12 C ATOM 1132 CG1 VAL A 77 -2.892 -6.375 6.405 1.00 15.22 C ATOM 1133 CG2 VAL A 77 -4.644 -7.993 5.638 1.00 0.14 C ATOM 0 H VAL A 77 -3.863 -10.252 6.831 1.00 52.21 H new ATOM 0 HA VAL A 77 -1.944 -8.723 5.341 1.00 72.33 H new ATOM 0 HB VAL A 77 -3.799 -7.890 7.599 1.00 33.12 H new ATOM 0 HG11 VAL A 77 -3.682 -5.644 6.577 1.00 15.22 H new ATOM 0 HG12 VAL A 77 -2.090 -6.219 7.126 1.00 15.22 H new ATOM 0 HG13 VAL A 77 -2.501 -6.255 5.395 1.00 15.22 H new ATOM 0 HG21 VAL A 77 -5.389 -7.219 5.821 1.00 0.14 H new ATOM 0 HG22 VAL A 77 -4.308 -7.936 4.603 1.00 0.14 H new ATOM 0 HG23 VAL A 77 -5.086 -8.972 5.823 1.00 0.14 H new ATOM 1143 N VAL A 78 -0.228 -8.047 7.103 1.00 21.43 N ATOM 1144 CA VAL A 78 0.844 -7.822 8.065 1.00 24.41 C ATOM 1145 C VAL A 78 0.275 -7.033 9.247 1.00 32.34 C ATOM 1146 O VAL A 78 -0.303 -5.958 9.056 1.00 32.24 O ATOM 1147 CB VAL A 78 2.003 -7.023 7.428 1.00 61.24 C ATOM 1148 CG1 VAL A 78 3.167 -6.837 8.393 1.00 73.23 C ATOM 1149 CG2 VAL A 78 2.468 -7.662 6.137 1.00 41.21 C ATOM 0 H VAL A 78 -0.084 -7.596 6.199 1.00 21.43 H new ATOM 0 HA VAL A 78 1.235 -8.785 8.394 1.00 24.41 H new ATOM 0 HB VAL A 78 1.614 -6.032 7.194 1.00 61.24 H new ATOM 0 HG11 VAL A 78 3.959 -6.270 7.903 1.00 73.23 H new ATOM 0 HG12 VAL A 78 2.825 -6.295 9.275 1.00 73.23 H new ATOM 0 HG13 VAL A 78 3.551 -7.812 8.692 1.00 73.23 H new ATOM 0 HG21 VAL A 78 3.284 -7.076 5.714 1.00 41.21 H new ATOM 0 HG22 VAL A 78 2.815 -8.676 6.337 1.00 41.21 H new ATOM 0 HG23 VAL A 78 1.640 -7.695 5.429 1.00 41.21 H new ATOM 1159 N LYS A 79 0.434 -7.569 10.441 1.00 15.32 N ATOM 1160 CA LYS A 79 -0.161 -6.992 11.657 1.00 23.05 C ATOM 1161 C LYS A 79 0.202 -5.523 11.910 1.00 62.22 C ATOM 1162 O LYS A 79 -0.668 -4.703 12.210 1.00 2.42 O ATOM 1163 CB LYS A 79 0.202 -7.839 12.882 1.00 15.43 C ATOM 1164 CG LYS A 79 -0.147 -7.183 14.203 1.00 43.20 C ATOM 1165 CD LYS A 79 0.143 -8.097 15.374 1.00 3.10 C ATOM 1166 CE LYS A 79 -0.279 -7.465 16.688 1.00 3.20 C ATOM 1167 NZ LYS A 79 0.432 -6.198 16.961 1.00 42.33 N ATOM 0 H LYS A 79 0.977 -8.416 10.608 1.00 15.32 H new ATOM 0 HA LYS A 79 -1.238 -7.008 11.488 1.00 23.05 H new ATOM 0 HB2 LYS A 79 -0.313 -8.797 12.815 1.00 15.43 H new ATOM 0 HB3 LYS A 79 1.271 -8.050 12.863 1.00 15.43 H new ATOM 0 HG2 LYS A 79 0.421 -6.259 14.312 1.00 43.20 H new ATOM 0 HG3 LYS A 79 -1.202 -6.910 14.207 1.00 43.20 H new ATOM 0 HD2 LYS A 79 -0.382 -9.043 15.238 1.00 3.10 H new ATOM 0 HD3 LYS A 79 1.208 -8.325 15.404 1.00 3.10 H new ATOM 0 HE2 LYS A 79 -1.353 -7.279 16.669 1.00 3.20 H new ATOM 0 HE3 LYS A 79 -0.091 -8.166 17.501 1.00 3.20 H new ATOM 0 HZ1 LYS A 79 0.239 -5.895 17.937 1.00 42.33 H new ATOM 0 HZ2 LYS A 79 1.455 -6.341 16.839 1.00 42.33 H new ATOM 0 HZ3 LYS A 79 0.103 -5.466 16.299 1.00 42.33 H new ATOM 1181 N SER A 80 1.436 -5.187 11.754 1.00 62.34 N ATOM 1182 CA SER A 80 1.875 -3.846 12.047 1.00 62.25 C ATOM 1183 C SER A 80 1.936 -2.951 10.793 1.00 61.03 C ATOM 1184 O SER A 80 2.414 -1.814 10.844 1.00 10.11 O ATOM 1185 CB SER A 80 3.195 -3.903 12.800 1.00 31.33 C ATOM 1186 OG SER A 80 3.034 -4.579 14.056 1.00 65.42 O ATOM 0 H SER A 80 2.168 -5.816 11.425 1.00 62.34 H new ATOM 0 HA SER A 80 1.134 -3.369 12.688 1.00 62.25 H new ATOM 0 HB2 SER A 80 3.942 -4.419 12.197 1.00 31.33 H new ATOM 0 HB3 SER A 80 3.566 -2.892 12.970 1.00 31.33 H new ATOM 0 HG SER A 80 3.894 -4.607 14.525 1.00 65.42 H new ATOM 1192 N LEU A 81 1.402 -3.447 9.692 1.00 63.22 N ATOM 1193 CA LEU A 81 1.322 -2.676 8.458 1.00 21.12 C ATOM 1194 C LEU A 81 0.375 -1.447 8.602 1.00 12.34 C ATOM 1195 O LEU A 81 0.742 -0.352 8.192 1.00 30.33 O ATOM 1196 CB LEU A 81 0.997 -3.598 7.258 1.00 72.43 C ATOM 1197 CG LEU A 81 0.827 -2.992 5.855 1.00 10.10 C ATOM 1198 CD1 LEU A 81 1.015 -4.090 4.829 1.00 4.12 C ATOM 1199 CD2 LEU A 81 -0.566 -2.385 5.670 1.00 32.53 C ATOM 0 H LEU A 81 1.013 -4.388 9.624 1.00 63.22 H new ATOM 0 HA LEU A 81 2.301 -2.245 8.248 1.00 21.12 H new ATOM 0 HB2 LEU A 81 1.789 -4.344 7.197 1.00 72.43 H new ATOM 0 HB3 LEU A 81 0.076 -4.130 7.496 1.00 72.43 H new ATOM 0 HG LEU A 81 1.566 -2.201 5.730 1.00 10.10 H new ATOM 0 HD11 LEU A 81 0.897 -3.676 3.827 1.00 4.12 H new ATOM 0 HD12 LEU A 81 2.013 -4.516 4.931 1.00 4.12 H new ATOM 0 HD13 LEU A 81 0.270 -4.869 4.989 1.00 4.12 H new ATOM 0 HD21 LEU A 81 -0.650 -1.966 4.667 1.00 32.53 H new ATOM 0 HD22 LEU A 81 -1.321 -3.159 5.804 1.00 32.53 H new ATOM 0 HD23 LEU A 81 -0.720 -1.596 6.407 1.00 32.53 H new ATOM 1211 N PRO A 82 -0.854 -1.589 9.207 1.00 51.14 N ATOM 1212 CA PRO A 82 -1.736 -0.431 9.467 1.00 20.54 C ATOM 1213 C PRO A 82 -1.027 0.645 10.297 1.00 35.33 C ATOM 1214 O PRO A 82 -1.345 1.837 10.203 1.00 4.15 O ATOM 1215 CB PRO A 82 -2.879 -1.030 10.276 1.00 24.31 C ATOM 1216 CG PRO A 82 -2.932 -2.450 9.855 1.00 75.32 C ATOM 1217 CD PRO A 82 -1.513 -2.853 9.615 1.00 24.03 C ATOM 0 HA PRO A 82 -2.053 0.057 8.545 1.00 20.54 H new ATOM 0 HB2 PRO A 82 -2.696 -0.941 11.347 1.00 24.31 H new ATOM 0 HB3 PRO A 82 -3.820 -0.520 10.070 1.00 24.31 H new ATOM 0 HG2 PRO A 82 -3.390 -3.070 10.625 1.00 75.32 H new ATOM 0 HG3 PRO A 82 -3.531 -2.569 8.952 1.00 75.32 H new ATOM 0 HD2 PRO A 82 -1.058 -3.270 10.513 1.00 24.03 H new ATOM 0 HD3 PRO A 82 -1.438 -3.613 8.837 1.00 24.03 H new ATOM 1225 N GLY A 83 -0.036 0.213 11.076 1.00 0.13 N ATOM 1226 CA GLY A 83 0.743 1.108 11.890 1.00 11.31 C ATOM 1227 C GLY A 83 1.510 2.106 11.047 1.00 14.02 C ATOM 1228 O GLY A 83 1.622 3.287 11.416 1.00 33.00 O ATOM 0 H GLY A 83 0.239 -0.766 11.151 1.00 0.13 H new ATOM 0 HA2 GLY A 83 0.086 1.641 12.577 1.00 11.31 H new ATOM 0 HA3 GLY A 83 1.441 0.533 12.498 1.00 11.31 H new ATOM 1232 N LEU A 84 2.037 1.654 9.905 1.00 63.12 N ATOM 1233 CA LEU A 84 2.752 2.554 9.012 1.00 15.15 C ATOM 1234 C LEU A 84 1.757 3.532 8.392 1.00 30.41 C ATOM 1235 O LEU A 84 2.006 4.721 8.316 1.00 54.14 O ATOM 1236 CB LEU A 84 3.606 1.794 7.936 1.00 51.41 C ATOM 1237 CG LEU A 84 2.874 1.117 6.755 1.00 63.30 C ATOM 1238 CD1 LEU A 84 2.640 2.087 5.595 1.00 45.22 C ATOM 1239 CD2 LEU A 84 3.608 -0.130 6.280 1.00 11.32 C ATOM 0 H LEU A 84 1.981 0.687 9.586 1.00 63.12 H new ATOM 0 HA LEU A 84 3.482 3.117 9.594 1.00 15.15 H new ATOM 0 HB2 LEU A 84 4.321 2.503 7.520 1.00 51.41 H new ATOM 0 HB3 LEU A 84 4.182 1.026 8.452 1.00 51.41 H new ATOM 0 HG LEU A 84 1.897 0.809 7.127 1.00 63.30 H new ATOM 0 HD11 LEU A 84 2.123 1.570 4.787 1.00 45.22 H new ATOM 0 HD12 LEU A 84 2.032 2.924 5.938 1.00 45.22 H new ATOM 0 HD13 LEU A 84 3.598 2.459 5.233 1.00 45.22 H new ATOM 0 HD21 LEU A 84 3.063 -0.578 5.449 1.00 11.32 H new ATOM 0 HD22 LEU A 84 4.611 0.141 5.952 1.00 11.32 H new ATOM 0 HD23 LEU A 84 3.675 -0.847 7.099 1.00 11.32 H new ATOM 1251 N LEU A 85 0.590 3.020 8.018 1.00 12.21 N ATOM 1252 CA LEU A 85 -0.453 3.842 7.408 1.00 53.33 C ATOM 1253 C LEU A 85 -0.898 4.931 8.370 1.00 11.53 C ATOM 1254 O LEU A 85 -1.184 6.054 7.963 1.00 72.30 O ATOM 1255 CB LEU A 85 -1.650 2.987 6.977 1.00 51.23 C ATOM 1256 CG LEU A 85 -1.379 1.918 5.913 1.00 14.33 C ATOM 1257 CD1 LEU A 85 -2.630 1.098 5.658 1.00 63.45 C ATOM 1258 CD2 LEU A 85 -0.903 2.560 4.615 1.00 0.02 C ATOM 0 H LEU A 85 0.340 2.037 8.126 1.00 12.21 H new ATOM 0 HA LEU A 85 -0.036 4.310 6.516 1.00 53.33 H new ATOM 0 HB2 LEU A 85 -2.053 2.494 7.861 1.00 51.23 H new ATOM 0 HB3 LEU A 85 -2.427 3.653 6.602 1.00 51.23 H new ATOM 0 HG LEU A 85 -0.594 1.259 6.284 1.00 14.33 H new ATOM 0 HD11 LEU A 85 -2.422 0.343 4.900 1.00 63.45 H new ATOM 0 HD12 LEU A 85 -2.939 0.609 6.582 1.00 63.45 H new ATOM 0 HD13 LEU A 85 -3.429 1.752 5.309 1.00 63.45 H new ATOM 0 HD21 LEU A 85 -0.716 1.784 3.873 1.00 0.02 H new ATOM 0 HD22 LEU A 85 -1.669 3.241 4.244 1.00 0.02 H new ATOM 0 HD23 LEU A 85 0.017 3.115 4.799 1.00 0.02 H new ATOM 1270 N THR A 86 -0.893 4.598 9.645 1.00 50.52 N ATOM 1271 CA THR A 86 -1.276 5.528 10.687 1.00 13.42 C ATOM 1272 C THR A 86 -0.327 6.757 10.705 1.00 62.24 C ATOM 1273 O THR A 86 -0.788 7.913 10.686 1.00 34.24 O ATOM 1274 CB THR A 86 -1.277 4.833 12.077 1.00 60.54 C ATOM 1275 OG1 THR A 86 -2.128 3.665 12.041 1.00 60.43 O ATOM 1276 CG2 THR A 86 -1.789 5.780 13.158 1.00 64.24 C ATOM 0 H THR A 86 -0.623 3.676 9.987 1.00 50.52 H new ATOM 0 HA THR A 86 -2.287 5.872 10.471 1.00 13.42 H new ATOM 0 HB THR A 86 -0.252 4.545 12.311 1.00 60.54 H new ATOM 0 HG1 THR A 86 -1.738 2.995 11.442 1.00 60.43 H new ATOM 0 HG21 THR A 86 -1.780 5.271 14.122 1.00 64.24 H new ATOM 0 HG22 THR A 86 -1.146 6.659 13.206 1.00 64.24 H new ATOM 0 HG23 THR A 86 -2.807 6.088 12.920 1.00 64.24 H new ATOM 1284 N ILE A 87 0.984 6.504 10.693 1.00 32.33 N ATOM 1285 CA ILE A 87 1.969 7.580 10.736 1.00 71.42 C ATOM 1286 C ILE A 87 1.961 8.413 9.433 1.00 62.33 C ATOM 1287 O ILE A 87 2.005 9.641 9.481 1.00 41.05 O ATOM 1288 CB ILE A 87 3.417 7.067 11.190 1.00 23.13 C ATOM 1289 CG1 ILE A 87 4.483 8.198 11.344 1.00 64.53 C ATOM 1290 CG2 ILE A 87 3.945 5.948 10.312 1.00 22.54 C ATOM 1291 CD1 ILE A 87 5.051 8.784 10.053 1.00 41.44 C ATOM 0 H ILE A 87 1.384 5.566 10.654 1.00 32.33 H new ATOM 0 HA ILE A 87 1.670 8.273 11.522 1.00 71.42 H new ATOM 0 HB ILE A 87 3.251 6.665 12.190 1.00 23.13 H new ATOM 0 HG12 ILE A 87 4.038 9.010 11.919 1.00 64.53 H new ATOM 0 HG13 ILE A 87 5.312 7.807 11.934 1.00 64.53 H new ATOM 0 HG21 ILE A 87 4.929 5.641 10.667 1.00 22.54 H new ATOM 0 HG22 ILE A 87 3.262 5.099 10.355 1.00 22.54 H new ATOM 0 HG23 ILE A 87 4.024 6.299 9.283 1.00 22.54 H new ATOM 0 HD11 ILE A 87 5.779 9.558 10.294 1.00 41.44 H new ATOM 0 HD12 ILE A 87 5.537 7.995 9.478 1.00 41.44 H new ATOM 0 HD13 ILE A 87 4.243 9.217 9.464 1.00 41.44 H new ATOM 1303 N LEU A 88 1.857 7.763 8.279 1.00 74.14 N ATOM 1304 CA LEU A 88 1.810 8.509 7.019 1.00 33.53 C ATOM 1305 C LEU A 88 0.546 9.340 6.882 1.00 42.52 C ATOM 1306 O LEU A 88 0.573 10.420 6.304 1.00 13.14 O ATOM 1307 CB LEU A 88 2.036 7.666 5.768 1.00 70.31 C ATOM 1308 CG LEU A 88 3.467 7.167 5.476 1.00 13.53 C ATOM 1309 CD1 LEU A 88 4.519 8.255 5.660 1.00 51.53 C ATOM 1310 CD2 LEU A 88 3.800 5.929 6.250 1.00 21.40 C ATOM 0 H LEU A 88 1.805 6.749 8.185 1.00 74.14 H new ATOM 0 HA LEU A 88 2.664 9.183 7.085 1.00 33.53 H new ATOM 0 HB2 LEU A 88 1.385 6.794 5.832 1.00 70.31 H new ATOM 0 HB3 LEU A 88 1.704 8.249 4.909 1.00 70.31 H new ATOM 0 HG LEU A 88 3.486 6.898 4.420 1.00 13.53 H new ATOM 0 HD11 LEU A 88 5.506 7.847 5.441 1.00 51.53 H new ATOM 0 HD12 LEU A 88 4.309 9.082 4.982 1.00 51.53 H new ATOM 0 HD13 LEU A 88 4.495 8.614 6.689 1.00 51.53 H new ATOM 0 HD21 LEU A 88 4.816 5.614 6.013 1.00 21.40 H new ATOM 0 HD22 LEU A 88 3.724 6.136 7.317 1.00 21.40 H new ATOM 0 HD23 LEU A 88 3.103 5.135 5.984 1.00 21.40 H new ATOM 1322 N HIS A 89 -0.559 8.831 7.389 1.00 64.35 N ATOM 1323 CA HIS A 89 -1.820 9.570 7.382 1.00 52.24 C ATOM 1324 C HIS A 89 -1.669 10.832 8.246 1.00 75.00 C ATOM 1325 O HIS A 89 -2.181 11.900 7.906 1.00 35.22 O ATOM 1326 CB HIS A 89 -2.970 8.679 7.900 1.00 41.12 C ATOM 1327 CG HIS A 89 -4.338 9.317 7.876 1.00 20.13 C ATOM 1328 ND1 HIS A 89 -4.965 9.830 8.988 1.00 71.11 N ATOM 1329 CD2 HIS A 89 -5.203 9.491 6.848 1.00 52.03 C ATOM 1330 CE1 HIS A 89 -6.160 10.286 8.619 1.00 32.21 C ATOM 1331 NE2 HIS A 89 -6.359 10.104 7.322 1.00 32.03 N ATOM 0 H HIS A 89 -0.616 7.906 7.814 1.00 64.35 H new ATOM 0 HA HIS A 89 -2.065 9.866 6.362 1.00 52.24 H new ATOM 0 HB2 HIS A 89 -3.001 7.769 7.301 1.00 41.12 H new ATOM 0 HB3 HIS A 89 -2.744 8.380 8.924 1.00 41.12 H new ATOM 0 HD2 HIS A 89 -5.024 9.200 5.823 1.00 52.03 H new ATOM 0 HE1 HIS A 89 -6.873 10.744 9.289 1.00 32.21 H new ATOM 0 HE2 HIS A 89 -7.187 10.360 6.783 1.00 32.03 H new ATOM 1339 N ASP A 90 -0.907 10.697 9.328 1.00 42.41 N ATOM 1340 CA ASP A 90 -0.632 11.808 10.254 1.00 53.12 C ATOM 1341 C ASP A 90 0.298 12.820 9.593 1.00 34.51 C ATOM 1342 O ASP A 90 0.188 14.024 9.818 1.00 44.31 O ATOM 1343 CB ASP A 90 0.027 11.258 11.538 1.00 40.05 C ATOM 1344 CG ASP A 90 0.372 12.322 12.575 1.00 44.33 C ATOM 1345 OD1 ASP A 90 -0.528 12.716 13.354 1.00 71.25 O ATOM 1346 OD2 ASP A 90 1.561 12.725 12.681 1.00 64.31 O ATOM 0 H ASP A 90 -0.460 9.819 9.593 1.00 42.41 H new ATOM 0 HA ASP A 90 -1.570 12.302 10.509 1.00 53.12 H new ATOM 0 HB2 ASP A 90 -0.644 10.529 11.993 1.00 40.05 H new ATOM 0 HB3 ASP A 90 0.938 10.726 11.265 1.00 40.05 H new ATOM 1351 N GLY A 91 1.159 12.322 8.724 1.00 54.12 N ATOM 1352 CA GLY A 91 2.109 13.164 8.026 1.00 34.40 C ATOM 1353 C GLY A 91 1.556 13.725 6.731 1.00 72.05 C ATOM 1354 O GLY A 91 2.188 14.553 6.098 1.00 43.21 O ATOM 0 H GLY A 91 1.218 11.332 8.485 1.00 54.12 H new ATOM 0 HA2 GLY A 91 2.404 13.987 8.676 1.00 34.40 H new ATOM 0 HA3 GLY A 91 3.009 12.588 7.812 1.00 34.40 H new ATOM 1358 N GLY A 92 0.394 13.251 6.327 1.00 62.33 N ATOM 1359 CA GLY A 92 -0.253 13.757 5.129 1.00 61.21 C ATOM 1360 C GLY A 92 0.305 13.175 3.843 1.00 20.34 C ATOM 1361 O GLY A 92 0.640 13.911 2.916 1.00 41.40 O ATOM 0 H GLY A 92 -0.123 12.516 6.810 1.00 62.33 H new ATOM 0 HA2 GLY A 92 -1.320 13.539 5.183 1.00 61.21 H new ATOM 0 HA3 GLY A 92 -0.150 14.842 5.101 1.00 61.21 H new ATOM 1365 N TYR A 93 0.421 11.871 3.778 1.00 35.22 N ATOM 1366 CA TYR A 93 0.903 11.226 2.571 1.00 63.15 C ATOM 1367 C TYR A 93 -0.153 10.343 1.944 1.00 40.44 C ATOM 1368 O TYR A 93 -0.916 9.671 2.645 1.00 54.01 O ATOM 1369 CB TYR A 93 2.187 10.438 2.818 1.00 54.25 C ATOM 1370 CG TYR A 93 3.373 11.312 3.121 1.00 14.42 C ATOM 1371 CD1 TYR A 93 4.143 11.832 2.093 1.00 71.11 C ATOM 1372 CD2 TYR A 93 3.717 11.628 4.423 1.00 42.34 C ATOM 1373 CE1 TYR A 93 5.223 12.639 2.354 1.00 65.13 C ATOM 1374 CE2 TYR A 93 4.793 12.436 4.693 1.00 22.01 C ATOM 1375 CZ TYR A 93 5.546 12.937 3.653 1.00 24.04 C ATOM 1376 OH TYR A 93 6.621 13.753 3.916 1.00 63.20 O ATOM 0 H TYR A 93 0.191 11.234 4.541 1.00 35.22 H new ATOM 0 HA TYR A 93 1.134 12.024 1.866 1.00 63.15 H new ATOM 0 HB2 TYR A 93 2.029 9.751 3.649 1.00 54.25 H new ATOM 0 HB3 TYR A 93 2.407 9.831 1.940 1.00 54.25 H new ATOM 0 HD1 TYR A 93 3.890 11.599 1.069 1.00 71.11 H new ATOM 0 HD2 TYR A 93 3.130 11.233 5.239 1.00 42.34 H new ATOM 0 HE1 TYR A 93 5.814 13.036 1.542 1.00 65.13 H new ATOM 0 HE2 TYR A 93 5.048 12.678 5.714 1.00 22.01 H new ATOM 0 HH TYR A 93 7.431 13.209 4.005 1.00 63.20 H new ATOM 1386 N ARG A 94 -0.216 10.386 0.630 1.00 43.40 N ATOM 1387 CA ARG A 94 -1.149 9.578 -0.136 1.00 41.14 C ATOM 1388 C ARG A 94 -0.563 8.192 -0.392 1.00 34.10 C ATOM 1389 O ARG A 94 0.641 7.975 -0.205 1.00 74.40 O ATOM 1390 CB ARG A 94 -1.497 10.251 -1.475 1.00 24.11 C ATOM 1391 CG ARG A 94 -0.310 10.443 -2.402 1.00 30.51 C ATOM 1392 CD ARG A 94 -0.716 11.049 -3.731 1.00 63.13 C ATOM 1393 NE ARG A 94 0.442 11.206 -4.622 1.00 4.14 N ATOM 1394 CZ ARG A 94 0.412 11.094 -5.960 1.00 2.14 C ATOM 1395 NH1 ARG A 94 -0.749 10.882 -6.600 1.00 44.14 N ATOM 1396 NH2 ARG A 94 1.542 11.189 -6.648 1.00 44.42 N ATOM 0 H ARG A 94 0.380 10.984 0.058 1.00 43.40 H new ATOM 0 HA ARG A 94 -2.064 9.480 0.448 1.00 41.14 H new ATOM 0 HB2 ARG A 94 -2.249 9.650 -1.986 1.00 24.11 H new ATOM 0 HB3 ARG A 94 -1.948 11.223 -1.274 1.00 24.11 H new ATOM 0 HG2 ARG A 94 0.425 11.087 -1.920 1.00 30.51 H new ATOM 0 HG3 ARG A 94 0.173 9.482 -2.575 1.00 30.51 H new ATOM 0 HD2 ARG A 94 -1.462 10.415 -4.209 1.00 63.13 H new ATOM 0 HD3 ARG A 94 -1.183 12.020 -3.563 1.00 63.13 H new ATOM 0 HE ARG A 94 1.341 11.417 -4.189 1.00 4.14 H new ATOM 0 HH11 ARG A 94 -1.617 10.805 -6.070 1.00 44.14 H new ATOM 0 HH12 ARG A 94 -0.763 10.798 -7.616 1.00 44.14 H new ATOM 0 HH21 ARG A 94 2.424 11.346 -6.161 1.00 44.42 H new ATOM 0 HH22 ARG A 94 1.529 11.105 -7.664 1.00 44.42 H new ATOM 1410 N ASP A 95 -1.404 7.310 -0.899 1.00 30.42 N ATOM 1411 CA ASP A 95 -1.098 5.888 -1.170 1.00 72.31 C ATOM 1412 C ASP A 95 0.124 5.729 -2.073 1.00 52.04 C ATOM 1413 O ASP A 95 1.004 4.894 -1.817 1.00 74.21 O ATOM 1414 CB ASP A 95 -2.321 5.218 -1.842 1.00 33.14 C ATOM 1415 CG ASP A 95 -2.626 5.768 -3.243 1.00 42.42 C ATOM 1416 OD1 ASP A 95 -2.429 7.002 -3.485 1.00 2.30 O ATOM 1417 OD2 ASP A 95 -3.005 5.007 -4.118 1.00 12.44 O ATOM 0 H ASP A 95 -2.361 7.559 -1.149 1.00 30.42 H new ATOM 0 HA ASP A 95 -0.875 5.408 -0.217 1.00 72.31 H new ATOM 0 HB2 ASP A 95 -2.145 4.145 -1.912 1.00 33.14 H new ATOM 0 HB3 ASP A 95 -3.196 5.357 -1.207 1.00 33.14 H new ATOM 1422 N THR A 96 0.179 6.560 -3.086 1.00 62.21 N ATOM 1423 CA THR A 96 1.211 6.551 -4.066 1.00 72.13 C ATOM 1424 C THR A 96 2.561 6.825 -3.406 1.00 3.20 C ATOM 1425 O THR A 96 3.551 6.161 -3.694 1.00 73.55 O ATOM 1426 CB THR A 96 0.908 7.617 -5.127 1.00 24.34 C ATOM 1427 OG1 THR A 96 -0.468 7.483 -5.566 1.00 33.20 O ATOM 1428 CG2 THR A 96 1.841 7.463 -6.314 1.00 62.30 C ATOM 0 H THR A 96 -0.523 7.282 -3.246 1.00 62.21 H new ATOM 0 HA THR A 96 1.254 5.572 -4.543 1.00 72.13 H new ATOM 0 HB THR A 96 1.059 8.604 -4.690 1.00 24.34 H new ATOM 0 HG1 THR A 96 -0.762 8.321 -5.981 1.00 33.20 H new ATOM 0 HG21 THR A 96 1.613 8.227 -7.058 1.00 62.30 H new ATOM 0 HG22 THR A 96 2.873 7.576 -5.983 1.00 62.30 H new ATOM 0 HG23 THR A 96 1.708 6.475 -6.756 1.00 62.30 H new ATOM 1436 N GLU A 97 2.578 7.776 -2.487 1.00 70.20 N ATOM 1437 CA GLU A 97 3.793 8.119 -1.791 1.00 20.30 C ATOM 1438 C GLU A 97 4.249 6.979 -0.905 1.00 52.45 C ATOM 1439 O GLU A 97 5.436 6.692 -0.844 1.00 31.20 O ATOM 1440 CB GLU A 97 3.658 9.407 -0.983 1.00 65.14 C ATOM 1441 CG GLU A 97 3.344 10.631 -1.822 1.00 75.54 C ATOM 1442 CD GLU A 97 4.307 10.818 -2.972 1.00 31.20 C ATOM 1443 OE1 GLU A 97 5.505 11.085 -2.745 1.00 63.15 O ATOM 1444 OE2 GLU A 97 3.865 10.736 -4.137 1.00 61.22 O ATOM 0 H GLU A 97 1.761 8.320 -2.210 1.00 70.20 H new ATOM 0 HA GLU A 97 4.552 8.296 -2.552 1.00 20.30 H new ATOM 0 HB2 GLU A 97 2.871 9.277 -0.240 1.00 65.14 H new ATOM 0 HB3 GLU A 97 4.586 9.581 -0.438 1.00 65.14 H new ATOM 0 HG2 GLU A 97 2.330 10.547 -2.214 1.00 75.54 H new ATOM 0 HG3 GLU A 97 3.368 11.517 -1.187 1.00 75.54 H new ATOM 1451 N ILE A 98 3.289 6.279 -0.288 1.00 63.02 N ATOM 1452 CA ILE A 98 3.607 5.199 0.655 1.00 75.05 C ATOM 1453 C ILE A 98 4.384 4.126 -0.076 1.00 22.23 C ATOM 1454 O ILE A 98 5.461 3.708 0.341 1.00 53.15 O ATOM 1455 CB ILE A 98 2.316 4.490 1.192 1.00 42.44 C ATOM 1456 CG1 ILE A 98 1.228 5.473 1.635 1.00 40.51 C ATOM 1457 CG2 ILE A 98 2.653 3.536 2.327 1.00 34.00 C ATOM 1458 CD1 ILE A 98 1.657 6.472 2.660 1.00 42.51 C ATOM 0 H ILE A 98 2.291 6.440 -0.423 1.00 63.02 H new ATOM 0 HA ILE A 98 4.161 5.648 1.479 1.00 75.05 H new ATOM 0 HB ILE A 98 1.911 3.925 0.353 1.00 42.44 H new ATOM 0 HG12 ILE A 98 0.865 6.008 0.758 1.00 40.51 H new ATOM 0 HG13 ILE A 98 0.387 4.905 2.033 1.00 40.51 H new ATOM 0 HG21 ILE A 98 1.741 3.057 2.682 1.00 34.00 H new ATOM 0 HG22 ILE A 98 3.347 2.775 1.969 1.00 34.00 H new ATOM 0 HG23 ILE A 98 3.113 4.091 3.144 1.00 34.00 H new ATOM 0 HD11 ILE A 98 0.818 7.122 2.908 1.00 42.51 H new ATOM 0 HD12 ILE A 98 1.991 5.952 3.558 1.00 42.51 H new ATOM 0 HD13 ILE A 98 2.476 7.072 2.263 1.00 42.51 H new ATOM 1470 N MET A 99 3.858 3.745 -1.209 1.00 73.21 N ATOM 1471 CA MET A 99 4.438 2.692 -1.993 1.00 63.05 C ATOM 1472 C MET A 99 5.687 3.144 -2.727 1.00 32.14 C ATOM 1473 O MET A 99 6.523 2.325 -3.082 1.00 64.10 O ATOM 1474 CB MET A 99 3.406 2.077 -2.923 1.00 41.45 C ATOM 1475 CG MET A 99 2.215 1.536 -2.165 1.00 53.22 C ATOM 1476 SD MET A 99 1.010 0.713 -3.197 1.00 70.34 S ATOM 1477 CE MET A 99 -0.259 0.421 -1.966 1.00 13.14 C ATOM 0 H MET A 99 3.016 4.156 -1.613 1.00 73.21 H new ATOM 0 HA MET A 99 4.763 1.910 -1.307 1.00 63.05 H new ATOM 0 HB2 MET A 99 3.070 2.827 -3.639 1.00 41.45 H new ATOM 0 HB3 MET A 99 3.867 1.273 -3.496 1.00 41.45 H new ATOM 0 HG2 MET A 99 2.567 0.837 -1.407 1.00 53.22 H new ATOM 0 HG3 MET A 99 1.728 2.357 -1.640 1.00 53.22 H new ATOM 0 HE1 MET A 99 -1.151 0.023 -2.450 1.00 13.14 H new ATOM 0 HE2 MET A 99 0.106 -0.296 -1.231 1.00 13.14 H new ATOM 0 HE3 MET A 99 -0.505 1.359 -1.467 1.00 13.14 H new ATOM 1487 N ARG A 100 5.821 4.454 -2.906 1.00 53.40 N ATOM 1488 CA ARG A 100 6.946 5.041 -3.614 1.00 40.41 C ATOM 1489 C ARG A 100 8.254 4.633 -2.934 1.00 72.00 C ATOM 1490 O ARG A 100 9.091 3.958 -3.532 1.00 12.00 O ATOM 1491 CB ARG A 100 6.784 6.559 -3.630 1.00 31.31 C ATOM 1492 CG ARG A 100 7.752 7.320 -4.499 1.00 72.34 C ATOM 1493 CD ARG A 100 7.440 8.800 -4.433 1.00 21.42 C ATOM 1494 NE ARG A 100 8.201 9.580 -5.410 1.00 43.53 N ATOM 1495 CZ ARG A 100 7.848 10.795 -5.842 1.00 44.50 C ATOM 1496 NH1 ARG A 100 6.832 11.449 -5.271 1.00 11.40 N ATOM 1497 NH2 ARG A 100 8.542 11.378 -6.811 1.00 32.12 N ATOM 0 H ARG A 100 5.148 5.139 -2.561 1.00 53.40 H new ATOM 0 HA ARG A 100 6.974 4.680 -4.642 1.00 40.41 H new ATOM 0 HB2 ARG A 100 5.771 6.792 -3.959 1.00 31.31 H new ATOM 0 HB3 ARG A 100 6.880 6.925 -2.608 1.00 31.31 H new ATOM 0 HG2 ARG A 100 8.774 7.139 -4.167 1.00 72.34 H new ATOM 0 HG3 ARG A 100 7.684 6.970 -5.529 1.00 72.34 H new ATOM 0 HD2 ARG A 100 6.374 8.951 -4.604 1.00 21.42 H new ATOM 0 HD3 ARG A 100 7.657 9.169 -3.431 1.00 21.42 H new ATOM 0 HE ARG A 100 9.056 9.170 -5.786 1.00 43.53 H new ATOM 0 HH11 ARG A 100 6.320 11.022 -4.500 1.00 11.40 H new ATOM 0 HH12 ARG A 100 6.569 12.376 -5.607 1.00 11.40 H new ATOM 0 HH21 ARG A 100 9.342 10.899 -7.224 1.00 32.12 H new ATOM 0 HH22 ARG A 100 8.275 12.305 -7.143 1.00 32.12 H new ATOM 1511 N TRP A 101 8.410 5.012 -1.680 1.00 24.13 N ATOM 1512 CA TRP A 101 9.589 4.623 -0.922 1.00 42.02 C ATOM 1513 C TRP A 101 9.629 3.126 -0.594 1.00 44.43 C ATOM 1514 O TRP A 101 10.698 2.543 -0.549 1.00 3.23 O ATOM 1515 CB TRP A 101 9.845 5.523 0.309 1.00 11.42 C ATOM 1516 CG TRP A 101 8.632 5.848 1.117 1.00 63.04 C ATOM 1517 CD1 TRP A 101 7.900 6.992 1.042 1.00 34.31 C ATOM 1518 CD2 TRP A 101 8.013 5.040 2.120 1.00 62.01 C ATOM 1519 NE1 TRP A 101 6.864 6.944 1.925 1.00 41.01 N ATOM 1520 CE2 TRP A 101 6.908 5.757 2.600 1.00 54.25 C ATOM 1521 CE3 TRP A 101 8.281 3.783 2.654 1.00 42.42 C ATOM 1522 CZ2 TRP A 101 6.073 5.258 3.586 1.00 33.21 C ATOM 1523 CZ3 TRP A 101 7.452 3.289 3.631 1.00 64.05 C ATOM 1524 CH2 TRP A 101 6.359 4.023 4.089 1.00 62.21 C ATOM 0 H TRP A 101 7.741 5.585 -1.165 1.00 24.13 H new ATOM 0 HA TRP A 101 10.433 4.796 -1.589 1.00 42.02 H new ATOM 0 HB2 TRP A 101 10.572 5.031 0.955 1.00 11.42 H new ATOM 0 HB3 TRP A 101 10.298 6.455 -0.029 1.00 11.42 H new ATOM 0 HD1 TRP A 101 8.110 7.818 0.379 1.00 34.31 H new ATOM 0 HE1 TRP A 101 6.167 7.677 2.061 1.00 41.01 H new ATOM 0 HE3 TRP A 101 9.126 3.207 2.306 1.00 42.42 H new ATOM 0 HZ2 TRP A 101 5.227 5.826 3.943 1.00 33.21 H new ATOM 0 HZ3 TRP A 101 7.650 2.314 4.052 1.00 64.05 H new ATOM 0 HH2 TRP A 101 5.726 3.605 4.858 1.00 62.21 H new ATOM 1535 N LEU A 102 8.459 2.513 -0.394 1.00 42.22 N ATOM 1536 CA LEU A 102 8.372 1.082 -0.069 1.00 0.40 C ATOM 1537 C LEU A 102 8.972 0.191 -1.154 1.00 64.42 C ATOM 1538 O LEU A 102 9.675 -0.778 -0.851 1.00 65.42 O ATOM 1539 CB LEU A 102 6.911 0.661 0.158 1.00 31.23 C ATOM 1540 CG LEU A 102 6.304 0.852 1.543 1.00 75.33 C ATOM 1541 CD1 LEU A 102 4.828 0.507 1.511 1.00 23.14 C ATOM 1542 CD2 LEU A 102 7.004 -0.035 2.548 1.00 11.31 C ATOM 0 H LEU A 102 7.556 2.984 -0.451 1.00 42.22 H new ATOM 0 HA LEU A 102 8.952 0.947 0.844 1.00 0.40 H new ATOM 0 HB2 LEU A 102 6.294 1.211 -0.553 1.00 31.23 H new ATOM 0 HB3 LEU A 102 6.827 -0.395 -0.097 1.00 31.23 H new ATOM 0 HG LEU A 102 6.429 1.894 1.837 1.00 75.33 H new ATOM 0 HD11 LEU A 102 4.400 0.646 2.504 1.00 23.14 H new ATOM 0 HD12 LEU A 102 4.317 1.158 0.802 1.00 23.14 H new ATOM 0 HD13 LEU A 102 4.704 -0.532 1.204 1.00 23.14 H new ATOM 0 HD21 LEU A 102 6.561 0.111 3.533 1.00 11.31 H new ATOM 0 HD22 LEU A 102 6.894 -1.078 2.252 1.00 11.31 H new ATOM 0 HD23 LEU A 102 8.063 0.222 2.585 1.00 11.31 H new ATOM 1554 N PHE A 103 8.718 0.516 -2.400 1.00 0.21 N ATOM 1555 CA PHE A 103 9.207 -0.306 -3.493 1.00 63.41 C ATOM 1556 C PHE A 103 10.623 0.051 -3.883 1.00 41.45 C ATOM 1557 O PHE A 103 11.297 -0.711 -4.571 1.00 40.31 O ATOM 1558 CB PHE A 103 8.262 -0.254 -4.702 1.00 14.14 C ATOM 1559 CG PHE A 103 6.979 -1.041 -4.523 1.00 41.11 C ATOM 1560 CD1 PHE A 103 5.990 -0.627 -3.639 1.00 54.01 C ATOM 1561 CD2 PHE A 103 6.771 -2.205 -5.243 1.00 13.04 C ATOM 1562 CE1 PHE A 103 4.828 -1.351 -3.483 1.00 70.51 C ATOM 1563 CE2 PHE A 103 5.611 -2.933 -5.088 1.00 63.33 C ATOM 1564 CZ PHE A 103 4.639 -2.504 -4.207 1.00 10.25 C ATOM 0 H PHE A 103 8.181 1.335 -2.685 1.00 0.21 H new ATOM 0 HA PHE A 103 9.226 -1.335 -3.133 1.00 63.41 H new ATOM 0 HB2 PHE A 103 8.011 0.786 -4.908 1.00 14.14 H new ATOM 0 HB3 PHE A 103 8.789 -0.634 -5.577 1.00 14.14 H new ATOM 0 HD1 PHE A 103 6.134 0.276 -3.065 1.00 54.01 H new ATOM 0 HD2 PHE A 103 7.527 -2.547 -5.935 1.00 13.04 H new ATOM 0 HE1 PHE A 103 4.068 -1.013 -2.794 1.00 70.51 H new ATOM 0 HE2 PHE A 103 5.463 -3.839 -5.656 1.00 63.33 H new ATOM 0 HZ PHE A 103 3.730 -3.074 -4.086 1.00 10.25 H new ATOM 1574 N THR A 104 11.081 1.180 -3.431 1.00 71.53 N ATOM 1575 CA THR A 104 12.403 1.629 -3.748 1.00 24.43 C ATOM 1576 C THR A 104 13.405 1.055 -2.733 1.00 73.40 C ATOM 1577 O THR A 104 13.269 1.289 -1.531 1.00 70.33 O ATOM 1578 CB THR A 104 12.458 3.171 -3.758 1.00 52.53 C ATOM 1579 OG1 THR A 104 11.468 3.668 -4.686 1.00 14.55 O ATOM 1580 CG2 THR A 104 13.833 3.668 -4.190 1.00 74.31 C ATOM 0 H THR A 104 10.550 1.814 -2.834 1.00 71.53 H new ATOM 0 HA THR A 104 12.671 1.274 -4.743 1.00 24.43 H new ATOM 0 HB THR A 104 12.259 3.533 -2.749 1.00 52.53 H new ATOM 0 HG1 THR A 104 10.577 3.595 -4.284 1.00 14.55 H new ATOM 0 HG21 THR A 104 13.843 4.758 -4.188 1.00 74.31 H new ATOM 0 HG22 THR A 104 14.588 3.297 -3.497 1.00 74.31 H new ATOM 0 HG23 THR A 104 14.052 3.305 -5.194 1.00 74.31 H new ATOM 1588 N PRO A 105 14.385 0.243 -3.205 1.00 71.41 N ATOM 1589 CA PRO A 105 15.428 -0.327 -2.348 1.00 74.32 C ATOM 1590 C PRO A 105 16.134 0.758 -1.542 1.00 24.12 C ATOM 1591 O PRO A 105 16.549 1.789 -2.090 1.00 43.04 O ATOM 1592 CB PRO A 105 16.393 -0.973 -3.341 1.00 63.41 C ATOM 1593 CG PRO A 105 15.551 -1.290 -4.524 1.00 61.03 C ATOM 1594 CD PRO A 105 14.539 -0.187 -4.609 1.00 12.12 C ATOM 0 HA PRO A 105 15.031 -1.030 -1.616 1.00 74.32 H new ATOM 0 HB2 PRO A 105 17.206 -0.296 -3.602 1.00 63.41 H new ATOM 0 HB3 PRO A 105 16.848 -1.872 -2.925 1.00 63.41 H new ATOM 0 HG2 PRO A 105 16.153 -1.340 -5.431 1.00 61.03 H new ATOM 0 HG3 PRO A 105 15.065 -2.259 -4.410 1.00 61.03 H new ATOM 0 HD2 PRO A 105 14.886 0.629 -5.244 1.00 12.12 H new ATOM 0 HD3 PRO A 105 13.596 -0.538 -5.028 1.00 12.12 H new ATOM 1602 N ASP A 106 16.261 0.537 -0.269 1.00 22.42 N ATOM 1603 CA ASP A 106 16.815 1.537 0.611 1.00 14.13 C ATOM 1604 C ASP A 106 18.323 1.381 0.731 1.00 61.12 C ATOM 1605 O ASP A 106 18.818 0.310 1.108 1.00 33.43 O ATOM 1606 CB ASP A 106 16.164 1.462 1.984 1.00 15.02 C ATOM 1607 CG ASP A 106 16.619 2.559 2.915 1.00 54.54 C ATOM 1608 OD1 ASP A 106 17.689 2.439 3.523 1.00 34.21 O ATOM 1609 OD2 ASP A 106 15.891 3.555 3.076 1.00 53.45 O ATOM 0 H ASP A 106 15.988 -0.331 0.192 1.00 22.42 H new ATOM 0 HA ASP A 106 16.607 2.516 0.180 1.00 14.13 H new ATOM 0 HB2 ASP A 106 15.081 1.516 1.870 1.00 15.02 H new ATOM 0 HB3 ASP A 106 16.389 0.495 2.434 1.00 15.02 H new ATOM 1614 N PRO A 107 19.079 2.445 0.401 1.00 5.00 N ATOM 1615 CA PRO A 107 20.556 2.452 0.442 1.00 50.25 C ATOM 1616 C PRO A 107 21.161 2.192 1.840 1.00 11.42 C ATOM 1617 O PRO A 107 22.348 1.877 1.961 1.00 43.41 O ATOM 1618 CB PRO A 107 20.930 3.856 -0.054 1.00 4.14 C ATOM 1619 CG PRO A 107 19.710 4.680 0.156 1.00 15.42 C ATOM 1620 CD PRO A 107 18.549 3.758 -0.042 1.00 3.33 C ATOM 0 HA PRO A 107 20.955 1.639 -0.165 1.00 50.25 H new ATOM 0 HB2 PRO A 107 21.777 4.258 0.502 1.00 4.14 H new ATOM 0 HB3 PRO A 107 21.218 3.839 -1.105 1.00 4.14 H new ATOM 0 HG2 PRO A 107 19.699 5.112 1.157 1.00 15.42 H new ATOM 0 HG3 PRO A 107 19.674 5.510 -0.550 1.00 15.42 H new ATOM 0 HD2 PRO A 107 17.686 4.064 0.550 1.00 3.33 H new ATOM 0 HD3 PRO A 107 18.228 3.732 -1.083 1.00 3.33 H new ATOM 1628 N SER A 108 20.373 2.318 2.875 1.00 1.33 N ATOM 1629 CA SER A 108 20.873 2.163 4.210 1.00 11.33 C ATOM 1630 C SER A 108 20.178 0.978 4.910 1.00 40.23 C ATOM 1631 O SER A 108 20.341 0.768 6.116 1.00 12.21 O ATOM 1632 CB SER A 108 20.651 3.488 4.981 1.00 31.33 C ATOM 1633 OG SER A 108 21.217 3.466 6.289 1.00 55.34 O ATOM 0 H SER A 108 19.377 2.529 2.815 1.00 1.33 H new ATOM 0 HA SER A 108 21.940 1.942 4.186 1.00 11.33 H new ATOM 0 HB2 SER A 108 21.088 4.310 4.415 1.00 31.33 H new ATOM 0 HB3 SER A 108 19.582 3.685 5.056 1.00 31.33 H new ATOM 0 HG SER A 108 21.263 2.541 6.610 1.00 55.34 H new ATOM 1639 N LEU A 109 19.438 0.187 4.163 1.00 70.15 N ATOM 1640 CA LEU A 109 18.709 -0.904 4.764 1.00 22.20 C ATOM 1641 C LEU A 109 19.396 -2.237 4.537 1.00 31.24 C ATOM 1642 O LEU A 109 19.816 -2.566 3.420 1.00 40.34 O ATOM 1643 CB LEU A 109 17.283 -0.953 4.224 1.00 33.41 C ATOM 1644 CG LEU A 109 16.345 -1.995 4.836 1.00 44.10 C ATOM 1645 CD1 LEU A 109 16.107 -1.718 6.317 1.00 2.20 C ATOM 1646 CD2 LEU A 109 15.030 -2.033 4.077 1.00 71.13 C ATOM 0 H LEU A 109 19.327 0.278 3.153 1.00 70.15 H new ATOM 0 HA LEU A 109 18.682 -0.723 5.839 1.00 22.20 H new ATOM 0 HB2 LEU A 109 16.834 0.030 4.363 1.00 33.41 H new ATOM 0 HB3 LEU A 109 17.333 -1.132 3.150 1.00 33.41 H new ATOM 0 HG LEU A 109 16.822 -2.972 4.753 1.00 44.10 H new ATOM 0 HD11 LEU A 109 15.437 -2.474 6.725 1.00 2.20 H new ATOM 0 HD12 LEU A 109 17.057 -1.749 6.850 1.00 2.20 H new ATOM 0 HD13 LEU A 109 15.657 -0.732 6.435 1.00 2.20 H new ATOM 0 HD21 LEU A 109 14.373 -2.779 4.524 1.00 71.13 H new ATOM 0 HD22 LEU A 109 14.553 -1.054 4.126 1.00 71.13 H new ATOM 0 HD23 LEU A 109 15.218 -2.293 3.035 1.00 71.13 H new ATOM 1658 N THR A 110 19.536 -2.969 5.601 1.00 4.43 N ATOM 1659 CA THR A 110 20.066 -4.301 5.586 1.00 62.00 C ATOM 1660 C THR A 110 19.035 -5.198 6.282 1.00 20.42 C ATOM 1661 O THR A 110 18.684 -4.957 7.448 1.00 53.32 O ATOM 1662 CB THR A 110 21.381 -4.362 6.385 1.00 3.11 C ATOM 1663 OG1 THR A 110 22.199 -3.234 6.050 1.00 43.52 O ATOM 1664 CG2 THR A 110 22.147 -5.640 6.061 1.00 23.15 C ATOM 0 H THR A 110 19.277 -2.646 6.533 1.00 4.43 H new ATOM 0 HA THR A 110 20.262 -4.618 4.562 1.00 62.00 H new ATOM 0 HB THR A 110 21.140 -4.349 7.448 1.00 3.11 H new ATOM 0 HG1 THR A 110 23.035 -3.273 6.560 1.00 43.52 H new ATOM 0 HG21 THR A 110 23.073 -5.665 6.635 1.00 23.15 H new ATOM 0 HG22 THR A 110 21.537 -6.505 6.319 1.00 23.15 H new ATOM 0 HG23 THR A 110 22.380 -5.665 4.996 1.00 23.15 H new ATOM 1672 N ILE A 111 18.533 -6.177 5.586 1.00 70.00 N ATOM 1673 CA ILE A 111 17.518 -7.076 6.132 1.00 72.44 C ATOM 1674 C ILE A 111 17.879 -8.502 5.902 1.00 40.54 C ATOM 1675 O ILE A 111 18.783 -8.797 5.126 1.00 24.12 O ATOM 1676 CB ILE A 111 16.111 -6.852 5.549 1.00 71.24 C ATOM 1677 CG1 ILE A 111 16.127 -6.885 4.019 1.00 12.32 C ATOM 1678 CG2 ILE A 111 15.502 -5.579 6.083 1.00 20.12 C ATOM 1679 CD1 ILE A 111 14.757 -6.844 3.395 1.00 64.22 C ATOM 0 H ILE A 111 18.805 -6.387 4.626 1.00 70.00 H new ATOM 0 HA ILE A 111 17.491 -6.844 7.197 1.00 72.44 H new ATOM 0 HB ILE A 111 15.476 -7.676 5.874 1.00 71.24 H new ATOM 0 HG12 ILE A 111 16.708 -6.039 3.653 1.00 12.32 H new ATOM 0 HG13 ILE A 111 16.639 -7.789 3.690 1.00 12.32 H new ATOM 0 HG21 ILE A 111 14.508 -5.444 5.656 1.00 20.12 H new ATOM 0 HG22 ILE A 111 15.425 -5.640 7.169 1.00 20.12 H new ATOM 0 HG23 ILE A 111 16.132 -4.732 5.811 1.00 20.12 H new ATOM 0 HD11 ILE A 111 14.851 -6.871 2.309 1.00 64.22 H new ATOM 0 HD12 ILE A 111 14.178 -7.705 3.731 1.00 64.22 H new ATOM 0 HD13 ILE A 111 14.249 -5.927 3.693 1.00 64.22 H new ATOM 1805 N VAL A 120 20.903 -9.024 3.472 1.00 13.52 N ATOM 1806 CA VAL A 120 20.794 -8.411 2.176 1.00 45.42 C ATOM 1807 C VAL A 120 20.884 -6.899 2.323 1.00 11.43 C ATOM 1808 O VAL A 120 20.070 -6.283 3.031 1.00 62.14 O ATOM 1809 CB VAL A 120 19.461 -8.792 1.473 1.00 13.42 C ATOM 1810 CG1 VAL A 120 19.355 -8.136 0.099 1.00 43.53 C ATOM 1811 CG2 VAL A 120 19.341 -10.303 1.343 1.00 63.44 C ATOM 0 HA VAL A 120 21.614 -8.776 1.557 1.00 45.42 H new ATOM 0 HB VAL A 120 18.641 -8.424 2.090 1.00 13.42 H new ATOM 0 HG11 VAL A 120 18.412 -8.421 -0.368 1.00 43.53 H new ATOM 0 HG12 VAL A 120 19.392 -7.052 0.209 1.00 43.53 H new ATOM 0 HG13 VAL A 120 20.184 -8.466 -0.527 1.00 43.53 H new ATOM 0 HG21 VAL A 120 18.402 -10.552 0.849 1.00 63.44 H new ATOM 0 HG22 VAL A 120 20.174 -10.685 0.753 1.00 63.44 H new ATOM 0 HG23 VAL A 120 19.361 -10.756 2.334 1.00 63.44 H new ATOM 1821 N SER A 121 21.879 -6.328 1.710 1.00 4.23 N ATOM 1822 CA SER A 121 22.082 -4.909 1.719 1.00 32.44 C ATOM 1823 C SER A 121 21.354 -4.280 0.529 1.00 2.33 C ATOM 1824 O SER A 121 21.341 -4.853 -0.577 1.00 34.51 O ATOM 1825 CB SER A 121 23.576 -4.621 1.661 1.00 23.32 C ATOM 1826 OG SER A 121 24.255 -5.261 2.753 1.00 52.52 O ATOM 0 H SER A 121 22.583 -6.843 1.182 1.00 4.23 H new ATOM 0 HA SER A 121 21.677 -4.475 2.633 1.00 32.44 H new ATOM 0 HB2 SER A 121 23.984 -4.975 0.714 1.00 23.32 H new ATOM 0 HB3 SER A 121 23.747 -3.545 1.700 1.00 23.32 H new ATOM 0 HG SER A 121 25.214 -5.068 2.700 1.00 52.52 H new ATOM 1832 N ASN A 122 20.741 -3.128 0.774 1.00 41.00 N ATOM 1833 CA ASN A 122 19.956 -2.396 -0.219 1.00 72.15 C ATOM 1834 C ASN A 122 18.804 -3.243 -0.718 1.00 54.12 C ATOM 1835 O ASN A 122 18.799 -3.776 -1.838 1.00 33.23 O ATOM 1836 CB ASN A 122 20.820 -1.795 -1.365 1.00 54.10 C ATOM 1837 CG ASN A 122 20.014 -1.040 -2.434 1.00 24.34 C ATOM 1838 OD1 ASN A 122 19.715 0.204 -2.184 1.00 43.01 O flip ATOM 1839 ND2 ASN A 122 19.652 -1.593 -3.471 1.00 2.51 N flip ATOM 0 H ASN A 122 20.775 -2.667 1.683 1.00 41.00 H new ATOM 0 HA ASN A 122 19.528 -1.527 0.280 1.00 72.15 H new ATOM 0 HB2 ASN A 122 21.554 -1.115 -0.933 1.00 54.10 H new ATOM 0 HB3 ASN A 122 21.375 -2.600 -1.846 1.00 54.10 H new ATOM 0 HD21 ASN A 122 19.899 -2.568 -3.642 1.00 2.51 H new ATOM 0 HD22 ASN A 122 19.104 -1.077 -4.160 1.00 2.51 H new ATOM 1846 N ALA A 123 17.890 -3.477 0.171 1.00 41.54 N ATOM 1847 CA ALA A 123 16.714 -4.216 -0.147 1.00 42.13 C ATOM 1848 C ALA A 123 15.502 -3.313 -0.069 1.00 43.14 C ATOM 1849 O ALA A 123 15.622 -2.129 0.254 1.00 52.32 O ATOM 1850 CB ALA A 123 16.575 -5.406 0.766 1.00 31.23 C ATOM 0 H ALA A 123 17.941 -3.159 1.139 1.00 41.54 H new ATOM 0 HA ALA A 123 16.792 -4.593 -1.167 1.00 42.13 H new ATOM 0 HB1 ALA A 123 15.671 -5.959 0.509 1.00 31.23 H new ATOM 0 HB2 ALA A 123 17.443 -6.056 0.652 1.00 31.23 H new ATOM 0 HB3 ALA A 123 16.510 -5.066 1.800 1.00 31.23 H new ATOM 1856 N ARG A 124 14.354 -3.859 -0.353 1.00 53.32 N ATOM 1857 CA ARG A 124 13.124 -3.094 -0.375 1.00 12.13 C ATOM 1858 C ARG A 124 12.539 -3.064 1.015 1.00 31.45 C ATOM 1859 O ARG A 124 12.574 -4.080 1.709 1.00 31.43 O ATOM 1860 CB ARG A 124 12.055 -3.733 -1.314 1.00 30.23 C ATOM 1861 CG ARG A 124 12.404 -3.861 -2.803 1.00 13.22 C ATOM 1862 CD ARG A 124 13.527 -4.854 -3.053 1.00 1.33 C ATOM 1863 NE ARG A 124 13.206 -6.241 -2.637 1.00 0.31 N ATOM 1864 CZ ARG A 124 14.067 -7.287 -2.738 1.00 3.24 C ATOM 1865 NH1 ARG A 124 15.274 -7.104 -3.271 1.00 1.33 N ATOM 1866 NH2 ARG A 124 13.740 -8.492 -2.276 1.00 63.11 N ATOM 0 H ARG A 124 14.236 -4.847 -0.577 1.00 53.32 H new ATOM 0 HA ARG A 124 13.368 -2.096 -0.739 1.00 12.13 H new ATOM 0 HB2 ARG A 124 11.828 -4.729 -0.935 1.00 30.23 H new ATOM 0 HB3 ARG A 124 11.141 -3.145 -1.232 1.00 30.23 H new ATOM 0 HG2 ARG A 124 11.518 -4.173 -3.355 1.00 13.22 H new ATOM 0 HG3 ARG A 124 12.694 -2.884 -3.190 1.00 13.22 H new ATOM 0 HD2 ARG A 124 13.772 -4.851 -4.115 1.00 1.33 H new ATOM 0 HD3 ARG A 124 14.418 -4.522 -2.520 1.00 1.33 H new ATOM 0 HE ARG A 124 12.279 -6.421 -2.250 1.00 0.31 H new ATOM 0 HH11 ARG A 124 15.550 -6.180 -3.602 1.00 1.33 H new ATOM 0 HH12 ARG A 124 15.922 -7.888 -3.348 1.00 1.33 H new ATOM 0 HH21 ARG A 124 12.831 -8.641 -1.838 1.00 63.11 H new ATOM 0 HH22 ARG A 124 14.399 -9.266 -2.360 1.00 63.11 H new ATOM 1880 N PRO A 125 12.021 -1.913 1.467 1.00 61.14 N ATOM 1881 CA PRO A 125 11.251 -1.839 2.710 1.00 34.22 C ATOM 1882 C PRO A 125 10.057 -2.819 2.655 1.00 3.44 C ATOM 1883 O PRO A 125 9.630 -3.358 3.671 1.00 14.15 O ATOM 1884 CB PRO A 125 10.765 -0.392 2.737 1.00 12.11 C ATOM 1885 CG PRO A 125 11.790 0.354 1.963 1.00 20.33 C ATOM 1886 CD PRO A 125 12.218 -0.574 0.865 1.00 51.34 C ATOM 0 HA PRO A 125 11.828 -2.108 3.595 1.00 34.22 H new ATOM 0 HB2 PRO A 125 9.778 -0.296 2.286 1.00 12.11 H new ATOM 0 HB3 PRO A 125 10.687 -0.018 3.758 1.00 12.11 H new ATOM 0 HG2 PRO A 125 11.379 1.279 1.557 1.00 20.33 H new ATOM 0 HG3 PRO A 125 12.634 0.630 2.595 1.00 20.33 H new ATOM 0 HD2 PRO A 125 11.615 -0.442 -0.033 1.00 51.34 H new ATOM 0 HD3 PRO A 125 13.257 -0.409 0.578 1.00 51.34 H new ATOM 1894 N VAL A 126 9.550 -3.058 1.440 1.00 53.44 N ATOM 1895 CA VAL A 126 8.507 -4.057 1.213 1.00 54.31 C ATOM 1896 C VAL A 126 9.011 -5.448 1.594 1.00 41.42 C ATOM 1897 O VAL A 126 8.312 -6.227 2.239 1.00 43.45 O ATOM 1898 CB VAL A 126 8.048 -4.089 -0.268 1.00 14.24 C ATOM 1899 CG1 VAL A 126 7.099 -5.226 -0.506 1.00 30.23 C ATOM 1900 CG2 VAL A 126 7.369 -2.808 -0.638 1.00 74.13 C ATOM 0 H VAL A 126 9.849 -2.569 0.597 1.00 53.44 H new ATOM 0 HA VAL A 126 7.659 -3.776 1.837 1.00 54.31 H new ATOM 0 HB VAL A 126 8.937 -4.222 -0.885 1.00 14.24 H new ATOM 0 HG11 VAL A 126 6.790 -5.229 -1.551 1.00 30.23 H new ATOM 0 HG12 VAL A 126 7.594 -6.168 -0.271 1.00 30.23 H new ATOM 0 HG13 VAL A 126 6.223 -5.108 0.131 1.00 30.23 H new ATOM 0 HG21 VAL A 126 7.055 -2.851 -1.681 1.00 74.13 H new ATOM 0 HG22 VAL A 126 6.496 -2.662 -0.002 1.00 74.13 H new ATOM 0 HG23 VAL A 126 8.061 -1.977 -0.501 1.00 74.13 H new ATOM 1910 N ASP A 127 10.229 -5.753 1.219 1.00 21.24 N ATOM 1911 CA ASP A 127 10.784 -7.058 1.538 1.00 44.42 C ATOM 1912 C ASP A 127 10.993 -7.164 3.059 1.00 54.25 C ATOM 1913 O ASP A 127 10.747 -8.203 3.669 1.00 52.52 O ATOM 1914 CB ASP A 127 12.099 -7.272 0.794 1.00 34.32 C ATOM 1915 CG ASP A 127 12.473 -8.729 0.716 1.00 72.21 C ATOM 1916 OD1 ASP A 127 13.132 -9.239 1.613 1.00 24.10 O ATOM 1917 OD2 ASP A 127 12.068 -9.387 -0.282 1.00 33.24 O ATOM 0 H ASP A 127 10.851 -5.132 0.701 1.00 21.24 H new ATOM 0 HA ASP A 127 10.089 -7.835 1.220 1.00 44.42 H new ATOM 0 HB2 ASP A 127 12.016 -6.865 -0.214 1.00 34.32 H new ATOM 0 HB3 ASP A 127 12.894 -6.720 1.296 1.00 34.32 H new ATOM 1922 N ALA A 128 11.351 -6.030 3.656 1.00 63.22 N ATOM 1923 CA ALA A 128 11.604 -5.907 5.093 1.00 44.34 C ATOM 1924 C ALA A 128 10.357 -6.176 5.942 1.00 60.10 C ATOM 1925 O ALA A 128 10.447 -6.763 7.020 1.00 1.02 O ATOM 1926 CB ALA A 128 12.156 -4.529 5.410 1.00 31.33 C ATOM 0 H ALA A 128 11.476 -5.154 3.148 1.00 63.22 H new ATOM 0 HA ALA A 128 12.338 -6.671 5.350 1.00 44.34 H new ATOM 0 HB1 ALA A 128 12.340 -4.449 6.481 1.00 31.33 H new ATOM 0 HB2 ALA A 128 13.090 -4.378 4.869 1.00 31.33 H new ATOM 0 HB3 ALA A 128 11.435 -3.770 5.108 1.00 31.33 H new ATOM 1932 N LEU A 129 9.196 -5.755 5.467 1.00 31.12 N ATOM 1933 CA LEU A 129 7.962 -5.958 6.223 1.00 3.33 C ATOM 1934 C LEU A 129 7.581 -7.434 6.257 1.00 5.21 C ATOM 1935 O LEU A 129 7.075 -7.927 7.257 1.00 60.50 O ATOM 1936 CB LEU A 129 6.828 -5.035 5.720 1.00 52.54 C ATOM 1937 CG LEU A 129 6.389 -5.201 4.270 1.00 21.34 C ATOM 1938 CD1 LEU A 129 5.364 -6.306 4.127 1.00 44.52 C ATOM 1939 CD2 LEU A 129 5.878 -3.895 3.693 1.00 71.40 C ATOM 0 H LEU A 129 9.078 -5.276 4.574 1.00 31.12 H new ATOM 0 HA LEU A 129 8.137 -5.665 7.258 1.00 3.33 H new ATOM 0 HB2 LEU A 129 5.957 -5.191 6.357 1.00 52.54 H new ATOM 0 HB3 LEU A 129 7.145 -4.002 5.861 1.00 52.54 H new ATOM 0 HG LEU A 129 7.267 -5.492 3.694 1.00 21.34 H new ATOM 0 HD11 LEU A 129 5.072 -6.398 3.081 1.00 44.52 H new ATOM 0 HD12 LEU A 129 5.794 -7.248 4.468 1.00 44.52 H new ATOM 0 HD13 LEU A 129 4.487 -6.069 4.729 1.00 44.52 H new ATOM 0 HD21 LEU A 129 5.573 -4.049 2.658 1.00 71.40 H new ATOM 0 HD22 LEU A 129 5.024 -3.550 4.275 1.00 71.40 H new ATOM 0 HD23 LEU A 129 6.669 -3.146 3.731 1.00 71.40 H new ATOM 1951 N HIS A 130 7.906 -8.148 5.185 1.00 33.13 N ATOM 1952 CA HIS A 130 7.673 -9.593 5.112 1.00 22.51 C ATOM 1953 C HIS A 130 8.638 -10.309 6.012 1.00 15.02 C ATOM 1954 O HIS A 130 8.384 -11.413 6.480 1.00 32.43 O ATOM 1955 CB HIS A 130 7.862 -10.108 3.696 1.00 61.02 C ATOM 1956 CG HIS A 130 6.803 -9.710 2.739 1.00 70.43 C ATOM 1957 ND1 HIS A 130 6.978 -8.792 1.736 1.00 62.15 N ATOM 1958 CD2 HIS A 130 5.555 -10.184 2.597 1.00 20.12 C ATOM 1959 CE1 HIS A 130 5.861 -8.749 1.024 1.00 30.11 C ATOM 1960 NE2 HIS A 130 4.959 -9.581 1.504 1.00 63.01 N ATOM 0 H HIS A 130 8.334 -7.751 4.349 1.00 33.13 H new ATOM 0 HA HIS A 130 6.646 -9.781 5.426 1.00 22.51 H new ATOM 0 HB2 HIS A 130 8.822 -9.753 3.321 1.00 61.02 H new ATOM 0 HB3 HIS A 130 7.914 -11.196 3.725 1.00 61.02 H new ATOM 0 HD1 HIS A 130 7.819 -8.240 1.568 1.00 62.15 H new ATOM 0 HD2 HIS A 130 5.090 -10.920 3.236 1.00 20.12 H new ATOM 0 HE1 HIS A 130 5.710 -8.115 0.163 1.00 30.11 H new ATOM 1968 N ALA A 131 9.734 -9.649 6.278 1.00 45.01 N ATOM 1969 CA ALA A 131 10.777 -10.193 7.133 1.00 23.43 C ATOM 1970 C ALA A 131 10.470 -9.905 8.592 1.00 55.31 C ATOM 1971 O ALA A 131 11.219 -10.303 9.482 1.00 33.40 O ATOM 1972 CB ALA A 131 12.131 -9.612 6.751 1.00 61.31 C ATOM 0 H ALA A 131 9.937 -8.719 5.912 1.00 45.01 H new ATOM 0 HA ALA A 131 10.811 -11.274 6.994 1.00 23.43 H new ATOM 0 HB1 ALA A 131 12.902 -10.028 7.400 1.00 61.31 H new ATOM 0 HB2 ALA A 131 12.355 -9.863 5.714 1.00 61.31 H new ATOM 0 HB3 ALA A 131 12.107 -8.528 6.865 1.00 61.31 H new ATOM 1978 N HIS A 132 9.338 -9.222 8.817 1.00 13.44 N ATOM 1979 CA HIS A 132 8.870 -8.797 10.143 1.00 13.32 C ATOM 1980 C HIS A 132 9.846 -7.803 10.752 1.00 71.31 C ATOM 1981 O HIS A 132 9.917 -7.607 11.959 1.00 45.51 O ATOM 1982 CB HIS A 132 8.588 -10.002 11.074 1.00 44.15 C ATOM 1983 CG HIS A 132 7.478 -10.894 10.573 1.00 21.35 C ATOM 1984 ND1 HIS A 132 7.687 -12.076 9.901 1.00 41.11 N ATOM 1985 CD2 HIS A 132 6.128 -10.744 10.649 1.00 65.05 C ATOM 1986 CE1 HIS A 132 6.501 -12.596 9.589 1.00 1.44 C ATOM 1987 NE2 HIS A 132 5.512 -11.829 10.020 1.00 45.04 N ATOM 0 H HIS A 132 8.708 -8.944 8.064 1.00 13.44 H new ATOM 0 HA HIS A 132 7.913 -8.289 10.021 1.00 13.32 H new ATOM 0 HB2 HIS A 132 9.499 -10.591 11.181 1.00 44.15 H new ATOM 0 HB3 HIS A 132 8.329 -9.633 12.066 1.00 44.15 H new ATOM 0 HD2 HIS A 132 5.615 -9.919 11.120 1.00 65.05 H new ATOM 0 HE1 HIS A 132 6.364 -13.524 9.053 1.00 1.44 H new ATOM 0 HE2 HIS A 132 4.511 -11.995 9.915 1.00 45.04 H new ATOM 1995 N GLN A 133 10.510 -7.098 9.867 1.00 51.31 N ATOM 1996 CA GLN A 133 11.435 -6.043 10.191 1.00 34.11 C ATOM 1997 C GLN A 133 10.725 -4.723 9.941 1.00 50.30 C ATOM 1998 O GLN A 133 11.332 -3.693 9.676 1.00 31.03 O ATOM 1999 CB GLN A 133 12.736 -6.152 9.384 1.00 4.14 C ATOM 2000 CG GLN A 133 13.491 -7.466 9.600 1.00 13.34 C ATOM 2001 CD GLN A 133 14.942 -7.427 9.125 1.00 64.12 C ATOM 2002 OE1 GLN A 133 15.598 -6.315 9.307 1.00 72.13 O flip ATOM 2003 NE2 GLN A 133 15.486 -8.419 8.664 1.00 42.44 N flip ATOM 0 H GLN A 133 10.416 -7.251 8.863 1.00 51.31 H new ATOM 0 HA GLN A 133 11.734 -6.117 11.236 1.00 34.11 H new ATOM 0 HB2 GLN A 133 12.505 -6.047 8.324 1.00 4.14 H new ATOM 0 HB3 GLN A 133 13.389 -5.321 9.651 1.00 4.14 H new ATOM 0 HG2 GLN A 133 13.472 -7.715 10.661 1.00 13.34 H new ATOM 0 HG3 GLN A 133 12.968 -8.266 9.075 1.00 13.34 H new ATOM 0 HE21 GLN A 133 14.952 -9.278 8.531 1.00 42.44 H new ATOM 0 HE22 GLN A 133 16.474 -8.388 8.413 1.00 42.44 H new ATOM 2012 N ALA A 134 9.398 -4.800 10.022 1.00 35.03 N ATOM 2013 CA ALA A 134 8.476 -3.698 9.791 1.00 73.41 C ATOM 2014 C ALA A 134 8.816 -2.463 10.620 1.00 63.11 C ATOM 2015 O ALA A 134 8.511 -1.358 10.214 1.00 15.21 O ATOM 2016 CB ALA A 134 7.043 -4.133 10.049 1.00 51.24 C ATOM 0 H ALA A 134 8.920 -5.669 10.260 1.00 35.03 H new ATOM 0 HA ALA A 134 8.580 -3.417 8.743 1.00 73.41 H new ATOM 0 HB1 ALA A 134 6.370 -3.294 9.870 1.00 51.24 H new ATOM 0 HB2 ALA A 134 6.786 -4.953 9.379 1.00 51.24 H new ATOM 0 HB3 ALA A 134 6.944 -4.464 11.083 1.00 51.24 H new ATOM 2022 N ARG A 135 9.439 -2.658 11.788 1.00 61.52 N ATOM 2023 CA ARG A 135 9.861 -1.536 12.628 1.00 2.55 C ATOM 2024 C ARG A 135 10.785 -0.596 11.851 1.00 5.21 C ATOM 2025 O ARG A 135 10.661 0.627 11.940 1.00 55.12 O ATOM 2026 CB ARG A 135 10.581 -2.013 13.870 1.00 45.20 C ATOM 2027 CG ARG A 135 9.742 -2.868 14.785 1.00 71.41 C ATOM 2028 CD ARG A 135 10.488 -3.131 16.066 1.00 53.33 C ATOM 2029 NE ARG A 135 10.751 -1.891 16.819 1.00 44.13 N ATOM 2030 CZ ARG A 135 11.966 -1.441 17.194 1.00 45.15 C ATOM 2031 NH1 ARG A 135 13.065 -2.134 16.910 1.00 3.54 N ATOM 2032 NH2 ARG A 135 12.070 -0.300 17.856 1.00 35.33 N ATOM 0 H ARG A 135 9.660 -3.578 12.170 1.00 61.52 H new ATOM 0 HA ARG A 135 8.958 -1.003 12.925 1.00 2.55 H new ATOM 0 HB2 ARG A 135 11.462 -2.580 13.570 1.00 45.20 H new ATOM 0 HB3 ARG A 135 10.935 -1.145 14.426 1.00 45.20 H new ATOM 0 HG2 ARG A 135 8.798 -2.368 15.000 1.00 71.41 H new ATOM 0 HG3 ARG A 135 9.499 -3.811 14.295 1.00 71.41 H new ATOM 0 HD2 ARG A 135 9.911 -3.816 16.687 1.00 53.33 H new ATOM 0 HD3 ARG A 135 11.433 -3.625 15.840 1.00 53.33 H new ATOM 0 HE ARG A 135 9.944 -1.324 17.079 1.00 44.13 H new ATOM 0 HH11 ARG A 135 12.995 -3.016 16.403 1.00 3.54 H new ATOM 0 HH12 ARG A 135 13.978 -1.783 17.199 1.00 3.54 H new ATOM 0 HH21 ARG A 135 11.233 0.237 18.082 1.00 35.33 H new ATOM 0 HH22 ARG A 135 12.988 0.043 18.141 1.00 35.33 H new ATOM 2046 N GLU A 136 11.687 -1.182 11.072 1.00 5.42 N ATOM 2047 CA GLU A 136 12.606 -0.444 10.231 1.00 63.33 C ATOM 2048 C GLU A 136 11.839 0.301 9.140 1.00 52.51 C ATOM 2049 O GLU A 136 12.205 1.417 8.752 1.00 4.53 O ATOM 2050 CB GLU A 136 13.681 -1.364 9.595 1.00 62.21 C ATOM 2051 CG GLU A 136 14.658 -2.042 10.577 1.00 54.33 C ATOM 2052 CD GLU A 136 14.113 -3.256 11.329 1.00 33.41 C ATOM 2053 OE1 GLU A 136 13.212 -3.107 12.182 1.00 23.51 O ATOM 2054 OE2 GLU A 136 14.653 -4.371 11.149 1.00 12.10 O ATOM 0 H GLU A 136 11.797 -2.194 11.010 1.00 5.42 H new ATOM 0 HA GLU A 136 13.125 0.275 10.866 1.00 63.33 H new ATOM 0 HB2 GLU A 136 13.173 -2.141 9.024 1.00 62.21 H new ATOM 0 HB3 GLU A 136 14.261 -0.774 8.885 1.00 62.21 H new ATOM 0 HG2 GLU A 136 15.545 -2.350 10.023 1.00 54.33 H new ATOM 0 HG3 GLU A 136 14.981 -1.301 11.308 1.00 54.33 H new ATOM 2061 N VAL A 137 10.763 -0.308 8.680 1.00 15.02 N ATOM 2062 CA VAL A 137 9.896 0.282 7.672 1.00 52.23 C ATOM 2063 C VAL A 137 9.176 1.488 8.274 1.00 1.41 C ATOM 2064 O VAL A 137 9.118 2.554 7.665 1.00 13.54 O ATOM 2065 CB VAL A 137 8.857 -0.746 7.148 1.00 42.35 C ATOM 2066 CG1 VAL A 137 7.967 -0.135 6.073 1.00 5.44 C ATOM 2067 CG2 VAL A 137 9.555 -1.987 6.622 1.00 43.25 C ATOM 0 H VAL A 137 10.462 -1.230 8.995 1.00 15.02 H new ATOM 0 HA VAL A 137 10.509 0.596 6.827 1.00 52.23 H new ATOM 0 HB VAL A 137 8.220 -1.033 7.984 1.00 42.35 H new ATOM 0 HG11 VAL A 137 7.251 -0.880 5.727 1.00 5.44 H new ATOM 0 HG12 VAL A 137 7.431 0.719 6.487 1.00 5.44 H new ATOM 0 HG13 VAL A 137 8.582 0.194 5.235 1.00 5.44 H new ATOM 0 HG21 VAL A 137 8.811 -2.696 6.259 1.00 43.25 H new ATOM 0 HG22 VAL A 137 10.222 -1.711 5.805 1.00 43.25 H new ATOM 0 HG23 VAL A 137 10.134 -2.446 7.423 1.00 43.25 H new ATOM 2077 N VAL A 138 8.666 1.314 9.492 1.00 12.12 N ATOM 2078 CA VAL A 138 8.008 2.394 10.227 1.00 30.30 C ATOM 2079 C VAL A 138 9.004 3.532 10.461 1.00 12.43 C ATOM 2080 O VAL A 138 8.674 4.703 10.296 1.00 55.44 O ATOM 2081 CB VAL A 138 7.412 1.911 11.588 1.00 34.12 C ATOM 2082 CG1 VAL A 138 6.736 3.061 12.332 1.00 51.12 C ATOM 2083 CG2 VAL A 138 6.415 0.780 11.370 1.00 61.55 C ATOM 0 H VAL A 138 8.696 0.427 9.995 1.00 12.12 H new ATOM 0 HA VAL A 138 7.173 2.747 9.622 1.00 30.30 H new ATOM 0 HB VAL A 138 8.238 1.542 12.196 1.00 34.12 H new ATOM 0 HG11 VAL A 138 6.330 2.696 13.275 1.00 51.12 H new ATOM 0 HG12 VAL A 138 7.467 3.845 12.531 1.00 51.12 H new ATOM 0 HG13 VAL A 138 5.928 3.464 11.722 1.00 51.12 H new ATOM 0 HG21 VAL A 138 6.013 0.459 12.331 1.00 61.55 H new ATOM 0 HG22 VAL A 138 5.601 1.130 10.734 1.00 61.55 H new ATOM 0 HG23 VAL A 138 6.917 -0.059 10.888 1.00 61.55 H new ATOM 2093 N ARG A 139 10.225 3.169 10.821 1.00 31.40 N ATOM 2094 CA ARG A 139 11.303 4.130 11.009 1.00 43.34 C ATOM 2095 C ARG A 139 11.538 4.933 9.716 1.00 1.30 C ATOM 2096 O ARG A 139 11.682 6.153 9.753 1.00 5.21 O ATOM 2097 CB ARG A 139 12.583 3.408 11.451 1.00 1.30 C ATOM 2098 CG ARG A 139 13.790 4.311 11.622 1.00 63.14 C ATOM 2099 CD ARG A 139 15.012 3.522 12.049 1.00 30.12 C ATOM 2100 NE ARG A 139 16.214 4.358 12.064 1.00 11.01 N ATOM 2101 CZ ARG A 139 17.469 3.905 12.127 1.00 1.43 C ATOM 2102 NH1 ARG A 139 17.713 2.618 12.325 1.00 60.30 N ATOM 2103 NH2 ARG A 139 18.483 4.753 12.023 1.00 72.21 N ATOM 0 H ARG A 139 10.498 2.201 10.991 1.00 31.40 H new ATOM 0 HA ARG A 139 11.019 4.832 11.793 1.00 43.34 H new ATOM 0 HB2 ARG A 139 12.390 2.899 12.395 1.00 1.30 H new ATOM 0 HB3 ARG A 139 12.822 2.638 10.717 1.00 1.30 H new ATOM 0 HG2 ARG A 139 13.997 4.827 10.684 1.00 63.14 H new ATOM 0 HG3 ARG A 139 13.571 5.077 12.366 1.00 63.14 H new ATOM 0 HD2 ARG A 139 14.847 3.103 13.042 1.00 30.12 H new ATOM 0 HD3 ARG A 139 15.160 2.683 11.369 1.00 30.12 H new ATOM 0 HE ARG A 139 16.082 5.369 12.023 1.00 11.01 H new ATOM 0 HH11 ARG A 139 16.939 1.963 12.431 1.00 60.30 H new ATOM 0 HH12 ARG A 139 18.675 2.283 12.371 1.00 60.30 H new ATOM 0 HH21 ARG A 139 18.304 5.749 11.895 1.00 72.21 H new ATOM 0 HH22 ARG A 139 19.442 4.409 12.071 1.00 72.21 H new ATOM 2117 N ARG A 140 11.538 4.242 8.575 1.00 61.13 N ATOM 2118 CA ARG A 140 11.678 4.912 7.282 1.00 60.23 C ATOM 2119 C ARG A 140 10.482 5.797 6.993 1.00 54.33 C ATOM 2120 O ARG A 140 10.637 6.878 6.469 1.00 64.34 O ATOM 2121 CB ARG A 140 11.883 3.935 6.123 1.00 53.43 C ATOM 2122 CG ARG A 140 13.219 3.221 6.109 1.00 71.33 C ATOM 2123 CD ARG A 140 14.380 4.210 6.120 1.00 22.51 C ATOM 2124 NE ARG A 140 15.636 3.552 5.790 1.00 10.13 N ATOM 2125 CZ ARG A 140 16.540 3.088 6.653 1.00 53.33 C ATOM 2126 NH1 ARG A 140 16.422 3.328 7.955 1.00 3.34 N ATOM 2127 NH2 ARG A 140 17.593 2.439 6.195 1.00 44.44 N ATOM 0 H ARG A 140 11.444 3.228 8.520 1.00 61.13 H new ATOM 0 HA ARG A 140 12.576 5.525 7.359 1.00 60.23 H new ATOM 0 HB2 ARG A 140 11.090 3.188 6.154 1.00 53.43 H new ATOM 0 HB3 ARG A 140 11.771 4.480 5.186 1.00 53.43 H new ATOM 0 HG2 ARG A 140 13.291 2.564 6.976 1.00 71.33 H new ATOM 0 HG3 ARG A 140 13.286 2.589 5.223 1.00 71.33 H new ATOM 0 HD2 ARG A 140 14.187 5.010 5.405 1.00 22.51 H new ATOM 0 HD3 ARG A 140 14.457 4.674 7.104 1.00 22.51 H new ATOM 0 HE ARG A 140 15.845 3.434 4.799 1.00 10.13 H new ATOM 0 HH11 ARG A 140 15.633 3.873 8.304 1.00 3.34 H new ATOM 0 HH12 ARG A 140 17.120 2.968 8.605 1.00 3.34 H new ATOM 0 HH21 ARG A 140 17.708 2.297 5.191 1.00 44.44 H new ATOM 0 HH22 ARG A 140 18.292 2.079 6.844 1.00 44.44 H new ATOM 2141 N ALA A 141 9.304 5.327 7.350 1.00 15.13 N ATOM 2142 CA ALA A 141 8.074 6.084 7.174 1.00 23.40 C ATOM 2143 C ALA A 141 8.155 7.407 7.929 1.00 23.33 C ATOM 2144 O ALA A 141 7.818 8.468 7.390 1.00 20.10 O ATOM 2145 CB ALA A 141 6.898 5.271 7.663 1.00 11.25 C ATOM 0 H ALA A 141 9.169 4.408 7.771 1.00 15.13 H new ATOM 0 HA ALA A 141 7.938 6.300 6.114 1.00 23.40 H new ATOM 0 HB1 ALA A 141 5.980 5.843 7.529 1.00 11.25 H new ATOM 0 HB2 ALA A 141 6.835 4.344 7.094 1.00 11.25 H new ATOM 0 HB3 ALA A 141 7.030 5.039 8.720 1.00 11.25 H new ATOM 2151 N GLN A 142 8.634 7.334 9.159 1.00 3.22 N ATOM 2152 CA GLN A 142 8.836 8.511 9.993 1.00 72.34 C ATOM 2153 C GLN A 142 9.867 9.431 9.354 1.00 64.33 C ATOM 2154 O GLN A 142 9.673 10.639 9.278 1.00 33.20 O ATOM 2155 CB GLN A 142 9.307 8.092 11.381 1.00 54.43 C ATOM 2156 CG GLN A 142 8.312 7.241 12.146 1.00 30.45 C ATOM 2157 CD GLN A 142 8.875 6.706 13.444 1.00 71.03 C ATOM 2158 OE1 GLN A 142 10.080 6.467 13.568 1.00 14.31 O ATOM 2159 NE2 GLN A 142 8.030 6.510 14.408 1.00 52.12 N ATOM 0 H GLN A 142 8.895 6.457 9.610 1.00 3.22 H new ATOM 0 HA GLN A 142 7.890 9.045 10.084 1.00 72.34 H new ATOM 0 HB2 GLN A 142 10.241 7.539 11.284 1.00 54.43 H new ATOM 0 HB3 GLN A 142 9.526 8.987 11.963 1.00 54.43 H new ATOM 0 HG2 GLN A 142 7.422 7.833 12.358 1.00 30.45 H new ATOM 0 HG3 GLN A 142 7.998 6.406 11.520 1.00 30.45 H new ATOM 0 HE21 GLN A 142 7.041 6.719 14.270 1.00 52.12 H new ATOM 0 HE22 GLN A 142 8.354 6.147 15.304 1.00 52.12 H new ATOM 2168 N ALA A 143 10.930 8.829 8.853 1.00 43.12 N ATOM 2169 CA ALA A 143 12.032 9.547 8.224 1.00 35.11 C ATOM 2170 C ALA A 143 11.643 10.159 6.875 1.00 34.34 C ATOM 2171 O ALA A 143 12.330 11.051 6.366 1.00 51.40 O ATOM 2172 CB ALA A 143 13.238 8.634 8.075 1.00 21.42 C ATOM 0 H ALA A 143 11.057 7.817 8.870 1.00 43.12 H new ATOM 0 HA ALA A 143 12.291 10.378 8.880 1.00 35.11 H new ATOM 0 HB1 ALA A 143 14.054 9.183 7.604 1.00 21.42 H new ATOM 0 HB2 ALA A 143 13.555 8.286 9.058 1.00 21.42 H new ATOM 0 HB3 ALA A 143 12.972 7.777 7.456 1.00 21.42 H new ATOM 2178 N MET A 144 10.582 9.654 6.280 1.00 13.35 N ATOM 2179 CA MET A 144 10.069 10.220 5.039 1.00 51.14 C ATOM 2180 C MET A 144 9.084 11.321 5.348 1.00 65.41 C ATOM 2181 O MET A 144 8.806 12.184 4.514 1.00 10.25 O ATOM 2182 CB MET A 144 9.400 9.160 4.149 1.00 14.42 C ATOM 2183 CG MET A 144 10.340 8.080 3.628 1.00 11.25 C ATOM 2184 SD MET A 144 11.749 8.738 2.696 1.00 51.44 S ATOM 2185 CE MET A 144 10.911 9.636 1.381 1.00 41.15 C ATOM 0 H MET A 144 10.055 8.854 6.631 1.00 13.35 H new ATOM 0 HA MET A 144 10.919 10.622 4.488 1.00 51.14 H new ATOM 0 HB2 MET A 144 8.599 8.683 4.715 1.00 14.42 H new ATOM 0 HB3 MET A 144 8.936 9.660 3.299 1.00 14.42 H new ATOM 0 HG2 MET A 144 10.712 7.496 4.470 1.00 11.25 H new ATOM 0 HG3 MET A 144 9.779 7.398 2.990 1.00 11.25 H new ATOM 0 HE1 MET A 144 11.633 9.914 0.613 1.00 41.15 H new ATOM 0 HE2 MET A 144 10.140 9.003 0.942 1.00 41.15 H new ATOM 0 HE3 MET A 144 10.452 10.536 1.790 1.00 41.15 H new ATOM 2195 N ALA A 145 8.541 11.286 6.541 1.00 15.41 N ATOM 2196 CA ALA A 145 7.621 12.296 6.972 1.00 31.22 C ATOM 2197 C ALA A 145 8.394 13.499 7.468 1.00 74.51 C ATOM 2198 O ALA A 145 8.323 14.581 6.886 1.00 40.14 O ATOM 2199 CB ALA A 145 6.681 11.757 8.048 1.00 53.14 C ATOM 0 H ALA A 145 8.726 10.559 7.232 1.00 15.41 H new ATOM 0 HA ALA A 145 7.001 12.600 6.128 1.00 31.22 H new ATOM 0 HB1 ALA A 145 5.993 12.544 8.358 1.00 53.14 H new ATOM 0 HB2 ALA A 145 6.114 10.916 7.648 1.00 53.14 H new ATOM 0 HB3 ALA A 145 7.264 11.426 8.908 1.00 53.14 H new ATOM 2205 N TYR A 146 9.182 13.291 8.484 1.00 60.02 N ATOM 2206 CA TYR A 146 9.956 14.343 9.074 1.00 61.14 C ATOM 2207 C TYR A 146 11.404 13.959 9.075 1.00 1.43 C ATOM 2208 O TYR A 146 12.127 14.385 8.159 1.00 38.53 O ATOM 2209 CB TYR A 146 9.464 14.681 10.489 1.00 23.15 C ATOM 2210 CG TYR A 146 8.069 15.253 10.500 1.00 14.22 C ATOM 2211 CD1 TYR A 146 7.864 16.615 10.344 1.00 21.24 C ATOM 2212 CD2 TYR A 146 6.958 14.434 10.637 1.00 43.32 C ATOM 2213 CE1 TYR A 146 6.595 17.145 10.321 1.00 14.34 C ATOM 2214 CE2 TYR A 146 5.685 14.956 10.619 1.00 65.44 C ATOM 2215 CZ TYR A 146 5.510 16.313 10.460 1.00 14.31 C ATOM 2216 OH TYR A 146 4.247 16.839 10.425 1.00 10.41 O ATOM 2217 OXT TYR A 146 11.833 13.210 9.970 1.00 38.53 O ATOM 0 H TYR A 146 9.306 12.381 8.928 1.00 60.02 H new ATOM 0 HA TYR A 146 9.832 15.246 8.476 1.00 61.14 H new ATOM 0 HB2 TYR A 146 9.487 13.780 11.102 1.00 23.15 H new ATOM 0 HB3 TYR A 146 10.149 15.395 10.946 1.00 23.15 H new ATOM 0 HD1 TYR A 146 8.715 17.271 10.239 1.00 21.24 H new ATOM 0 HD2 TYR A 146 7.094 13.370 10.760 1.00 43.32 H new ATOM 0 HE1 TYR A 146 6.452 18.208 10.195 1.00 14.34 H new ATOM 0 HE2 TYR A 146 4.829 14.306 10.729 1.00 65.44 H new ATOM 0 HH TYR A 146 3.590 16.120 10.536 1.00 10.41 H new