USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 675 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 27 THR OG1 : rot 171:sc= 1.02 USER MOD Set 1.2: A 31 THR OG1 : rot 43:sc= 0.18 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= -0.0203 (180deg=-0.24) USER MOD Single : A 29 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=-0.11) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.423 K(o=-0.42,f=-6.3!) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 46 LYS NZ :NH3+ -107:sc= -0.307 (180deg=-1.84) USER MOD Single : A 50 GLN : amide:sc= 0.251 X(o=0.25,f=-0.008) USER MOD Single : A 51 MET CE :methyl -128:sc= -2.47 (180deg=-4.48!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.0023) USER MOD Single : A 78 SER OG : rot 96:sc= -0.238 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -172:sc= -4.26! (180deg=-5.14!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 110:sc= -1.65 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= -0.96 (180deg=-1.2) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.512 X(o=-0.51,f=-0.62) USER MOD Single : A 105 HIS : no HD1:sc= -0.327 K(o=-0.33,f=-1.6!) USER MOD Single : A 107 HIS : no HD1:sc= -0.307 K(o=-0.31,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 16.210 -25.539 -24.160 1.00 32.10 N ATOM 257 CA ALA A 17 16.795 -24.317 -24.699 1.00 34.53 C ATOM 258 C ALA A 17 15.743 -23.223 -24.843 1.00 1.53 C ATOM 259 O ALA A 17 14.557 -23.506 -25.011 1.00 53.51 O ATOM 260 CB ALA A 17 17.456 -24.596 -26.040 1.00 63.12 C ATOM 0 HA ALA A 17 17.553 -23.966 -23.999 1.00 34.53 H new ATOM 0 HB1 ALA A 17 17.889 -23.675 -26.431 1.00 63.12 H new ATOM 0 HB2 ALA A 17 18.242 -25.340 -25.910 1.00 63.12 H new ATOM 0 HB3 ALA A 17 16.712 -24.973 -26.741 1.00 63.12 H new ATOM 266 N PHE A 18 16.185 -21.971 -24.775 1.00 24.34 N ATOM 267 CA PHE A 18 15.282 -20.833 -24.896 1.00 34.32 C ATOM 268 C PHE A 18 15.948 -19.687 -25.651 1.00 23.21 C ATOM 269 O PHE A 18 17.165 -19.507 -25.583 1.00 33.13 O ATOM 270 CB PHE A 18 14.839 -20.357 -23.511 1.00 33.02 C ATOM 271 CG PHE A 18 14.169 -21.426 -22.695 1.00 52.22 C ATOM 272 CD1 PHE A 18 14.910 -22.242 -21.856 1.00 71.45 C ATOM 273 CD2 PHE A 18 12.798 -21.614 -22.768 1.00 20.02 C ATOM 274 CE1 PHE A 18 14.297 -23.227 -21.104 1.00 54.43 C ATOM 275 CE2 PHE A 18 12.179 -22.596 -22.018 1.00 22.22 C ATOM 276 CZ PHE A 18 12.930 -23.404 -21.186 1.00 35.30 C ATOM 0 H PHE A 18 17.164 -21.719 -24.637 1.00 24.34 H new ATOM 0 HA PHE A 18 14.406 -21.155 -25.460 1.00 34.32 H new ATOM 0 HB2 PHE A 18 15.709 -19.988 -22.967 1.00 33.02 H new ATOM 0 HB3 PHE A 18 14.155 -19.517 -23.626 1.00 33.02 H new ATOM 0 HD1 PHE A 18 15.979 -22.107 -21.788 1.00 71.45 H new ATOM 0 HD2 PHE A 18 12.207 -20.986 -23.418 1.00 20.02 H new ATOM 0 HE1 PHE A 18 14.886 -23.857 -20.454 1.00 54.43 H new ATOM 0 HE2 PHE A 18 11.109 -22.732 -22.082 1.00 22.22 H new ATOM 0 HZ PHE A 18 12.448 -24.173 -20.600 1.00 35.30 H new ATOM 286 N THR A 19 15.143 -18.914 -26.372 1.00 53.24 N ATOM 287 CA THR A 19 15.653 -17.787 -27.143 1.00 61.21 C ATOM 288 C THR A 19 14.554 -16.767 -27.420 1.00 24.33 C ATOM 289 O THR A 19 13.389 -17.126 -27.589 1.00 12.04 O ATOM 290 CB THR A 19 16.257 -18.250 -28.482 1.00 71.34 C ATOM 291 OG1 THR A 19 16.832 -19.554 -28.336 1.00 55.31 O ATOM 292 CG2 THR A 19 17.319 -17.273 -28.964 1.00 31.41 C ATOM 0 H THR A 19 14.134 -19.048 -26.438 1.00 53.24 H new ATOM 0 HA THR A 19 16.434 -17.321 -26.542 1.00 61.21 H new ATOM 0 HB THR A 19 15.457 -18.287 -29.222 1.00 71.34 H new ATOM 0 HG1 THR A 19 17.212 -19.842 -29.192 1.00 55.31 H new ATOM 0 HG21 THR A 19 17.731 -17.621 -29.911 1.00 31.41 H new ATOM 0 HG22 THR A 19 16.872 -16.289 -29.103 1.00 31.41 H new ATOM 0 HG23 THR A 19 18.116 -17.208 -28.224 1.00 31.41 H new ATOM 300 N PHE A 20 14.933 -15.494 -27.465 1.00 61.33 N ATOM 301 CA PHE A 20 13.979 -14.422 -27.722 1.00 0.44 C ATOM 302 C PHE A 20 13.672 -14.312 -29.212 1.00 54.22 C ATOM 303 O PHE A 20 14.575 -14.345 -30.049 1.00 34.11 O ATOM 304 CB PHE A 20 14.525 -13.090 -27.202 1.00 41.15 C ATOM 305 CG PHE A 20 14.614 -13.021 -25.705 1.00 32.43 C ATOM 306 CD1 PHE A 20 13.481 -13.179 -24.922 1.00 62.04 C ATOM 307 CD2 PHE A 20 15.830 -12.799 -25.079 1.00 51.20 C ATOM 308 CE1 PHE A 20 13.559 -13.117 -23.544 1.00 4.12 C ATOM 309 CE2 PHE A 20 15.914 -12.736 -23.701 1.00 23.10 C ATOM 310 CZ PHE A 20 14.778 -12.894 -22.932 1.00 75.15 C ATOM 0 H PHE A 20 15.894 -15.180 -27.327 1.00 61.33 H new ATOM 0 HA PHE A 20 13.054 -14.658 -27.196 1.00 0.44 H new ATOM 0 HB2 PHE A 20 15.516 -12.923 -27.625 1.00 41.15 H new ATOM 0 HB3 PHE A 20 13.886 -12.281 -27.557 1.00 41.15 H new ATOM 0 HD1 PHE A 20 12.526 -13.353 -25.395 1.00 62.04 H new ATOM 0 HD2 PHE A 20 16.722 -12.674 -25.675 1.00 51.20 H new ATOM 0 HE1 PHE A 20 12.669 -13.243 -22.946 1.00 4.12 H new ATOM 0 HE2 PHE A 20 16.868 -12.563 -23.226 1.00 23.10 H new ATOM 0 HZ PHE A 20 14.842 -12.843 -21.855 1.00 75.15 H new ATOM 320 N THR A 21 12.389 -14.181 -29.538 1.00 23.11 N ATOM 321 CA THR A 21 11.961 -14.070 -30.926 1.00 51.14 C ATOM 322 C THR A 21 11.238 -12.751 -31.175 1.00 45.20 C ATOM 323 O THR A 21 11.368 -12.151 -32.243 1.00 31.53 O ATOM 324 CB THR A 21 11.032 -15.233 -31.323 1.00 23.33 C ATOM 325 OG1 THR A 21 10.418 -14.961 -32.587 1.00 64.14 O ATOM 326 CG2 THR A 21 9.958 -15.451 -30.268 1.00 72.32 C ATOM 0 H THR A 21 11.629 -14.149 -28.859 1.00 23.11 H new ATOM 0 HA THR A 21 12.862 -14.109 -31.538 1.00 51.14 H new ATOM 0 HB THR A 21 11.633 -16.139 -31.400 1.00 23.33 H new ATOM 0 HG1 THR A 21 9.830 -15.706 -32.832 1.00 64.14 H new ATOM 0 HG21 THR A 21 9.314 -16.277 -30.570 1.00 72.32 H new ATOM 0 HG22 THR A 21 10.428 -15.687 -29.314 1.00 72.32 H new ATOM 0 HG23 THR A 21 9.361 -14.545 -30.164 1.00 72.32 H new ATOM 334 N LYS A 22 10.477 -12.302 -30.183 1.00 25.25 N ATOM 335 CA LYS A 22 9.734 -11.053 -30.292 1.00 44.52 C ATOM 336 C LYS A 22 10.223 -10.037 -29.264 1.00 50.02 C ATOM 337 O LYS A 22 9.926 -10.152 -28.075 1.00 31.22 O ATOM 338 CB LYS A 22 8.237 -11.307 -30.102 1.00 4.02 C ATOM 339 CG LYS A 22 7.354 -10.261 -30.760 1.00 1.14 C ATOM 340 CD LYS A 22 7.369 -10.391 -32.273 1.00 41.44 C ATOM 341 CE LYS A 22 6.378 -11.440 -32.753 1.00 23.42 C ATOM 342 NZ LYS A 22 4.968 -10.998 -32.567 1.00 25.44 N ATOM 0 H LYS A 22 10.359 -12.786 -29.293 1.00 25.25 H new ATOM 0 HA LYS A 22 9.903 -10.645 -31.289 1.00 44.52 H new ATOM 0 HB2 LYS A 22 7.989 -12.287 -30.509 1.00 4.02 H new ATOM 0 HB3 LYS A 22 8.015 -11.339 -29.035 1.00 4.02 H new ATOM 0 HG2 LYS A 22 6.332 -10.365 -30.395 1.00 1.14 H new ATOM 0 HG3 LYS A 22 7.695 -9.265 -30.476 1.00 1.14 H new ATOM 0 HD2 LYS A 22 7.128 -9.428 -32.724 1.00 41.44 H new ATOM 0 HD3 LYS A 22 8.372 -10.657 -32.606 1.00 41.44 H new ATOM 0 HE2 LYS A 22 6.556 -11.652 -33.807 1.00 23.42 H new ATOM 0 HE3 LYS A 22 6.542 -12.370 -32.209 1.00 23.42 H new ATOM 0 HZ1 LYS A 22 4.344 -11.564 -33.177 1.00 25.44 H new ATOM 0 HZ2 LYS A 22 4.692 -11.128 -31.573 1.00 25.44 H new ATOM 0 HZ3 LYS A 22 4.883 -9.993 -32.822 1.00 25.44 H new ATOM 356 N ILE A 23 10.972 -9.043 -29.731 1.00 33.34 N ATOM 357 CA ILE A 23 11.498 -8.007 -28.851 1.00 43.25 C ATOM 358 C ILE A 23 10.381 -7.340 -28.056 1.00 72.51 C ATOM 359 O ILE A 23 9.340 -6.965 -28.596 1.00 0.52 O ATOM 360 CB ILE A 23 12.261 -6.930 -29.645 1.00 50.51 C ATOM 361 CG1 ILE A 23 13.377 -7.570 -30.473 1.00 5.52 C ATOM 362 CG2 ILE A 23 12.829 -5.879 -28.702 1.00 32.40 C ATOM 363 CD1 ILE A 23 14.155 -6.577 -31.308 1.00 4.10 C ATOM 0 H ILE A 23 11.228 -8.934 -30.712 1.00 33.34 H new ATOM 0 HA ILE A 23 12.187 -8.497 -28.163 1.00 43.25 H new ATOM 0 HB ILE A 23 11.565 -6.440 -30.326 1.00 50.51 H new ATOM 0 HG12 ILE A 23 14.064 -8.087 -29.803 1.00 5.52 H new ATOM 0 HG13 ILE A 23 12.944 -8.324 -31.130 1.00 5.52 H new ATOM 0 HG21 ILE A 23 13.365 -5.125 -29.278 1.00 32.40 H new ATOM 0 HG22 ILE A 23 12.015 -5.405 -28.153 1.00 32.40 H new ATOM 0 HG23 ILE A 23 13.514 -6.353 -27.999 1.00 32.40 H new ATOM 0 HD11 ILE A 23 14.930 -7.101 -31.868 1.00 4.10 H new ATOM 0 HD12 ILE A 23 13.480 -6.078 -32.003 1.00 4.10 H new ATOM 0 HD13 ILE A 23 14.617 -5.836 -30.656 1.00 4.10 H new ATOM 375 N PRO A 24 10.600 -7.188 -26.742 1.00 31.14 N ATOM 376 CA PRO A 24 9.624 -6.563 -25.844 1.00 3.22 C ATOM 377 C PRO A 24 9.483 -5.065 -26.094 1.00 24.15 C ATOM 378 O PRO A 24 10.478 -4.350 -26.213 1.00 72.11 O ATOM 379 CB PRO A 24 10.207 -6.820 -24.452 1.00 61.40 C ATOM 380 CG PRO A 24 11.672 -6.975 -24.677 1.00 75.23 C ATOM 381 CD PRO A 24 11.817 -7.614 -26.031 1.00 20.13 C ATOM 0 HA PRO A 24 8.623 -6.970 -25.983 1.00 3.22 H new ATOM 0 HB2 PRO A 24 9.996 -5.992 -23.775 1.00 61.40 H new ATOM 0 HB3 PRO A 24 9.779 -7.716 -24.003 1.00 61.40 H new ATOM 0 HG2 PRO A 24 12.176 -6.009 -24.645 1.00 75.23 H new ATOM 0 HG3 PRO A 24 12.122 -7.595 -23.902 1.00 75.23 H new ATOM 0 HD2 PRO A 24 12.719 -7.275 -26.540 1.00 20.13 H new ATOM 0 HD3 PRO A 24 11.880 -8.700 -25.958 1.00 20.13 H new ATOM 389 N ALA A 25 8.242 -4.597 -26.171 1.00 0.03 N ATOM 390 CA ALA A 25 7.972 -3.184 -26.405 1.00 53.02 C ATOM 391 C ALA A 25 6.712 -2.737 -25.672 1.00 75.10 C ATOM 392 O ALA A 25 5.690 -3.423 -25.701 1.00 3.14 O ATOM 393 CB ALA A 25 7.841 -2.912 -27.897 1.00 4.04 C ATOM 0 H ALA A 25 7.408 -5.176 -26.075 1.00 0.03 H new ATOM 0 HA ALA A 25 8.812 -2.609 -26.014 1.00 53.02 H new ATOM 0 HB1 ALA A 25 7.639 -1.853 -28.057 1.00 4.04 H new ATOM 0 HB2 ALA A 25 8.769 -3.185 -28.399 1.00 4.04 H new ATOM 0 HB3 ALA A 25 7.021 -3.503 -28.304 1.00 4.04 H new ATOM 399 N GLU A 26 6.792 -1.584 -25.016 1.00 12.15 N ATOM 400 CA GLU A 26 5.657 -1.047 -24.274 1.00 32.21 C ATOM 401 C GLU A 26 4.543 -0.614 -25.223 1.00 10.54 C ATOM 402 O GLU A 26 4.795 -0.262 -26.376 1.00 12.13 O ATOM 403 CB GLU A 26 6.097 0.137 -23.411 1.00 51.42 C ATOM 404 CG GLU A 26 5.624 0.049 -21.970 1.00 2.52 C ATOM 405 CD GLU A 26 5.675 1.387 -21.257 1.00 32.23 C ATOM 406 OE1 GLU A 26 5.053 2.348 -21.756 1.00 1.33 O ATOM 407 OE2 GLU A 26 6.336 1.472 -20.201 1.00 14.12 O ATOM 0 H GLU A 26 7.630 -1.004 -24.983 1.00 12.15 H new ATOM 0 HA GLU A 26 5.273 -1.835 -23.626 1.00 32.21 H new ATOM 0 HB2 GLU A 26 7.185 0.201 -23.424 1.00 51.42 H new ATOM 0 HB3 GLU A 26 5.718 1.059 -23.853 1.00 51.42 H new ATOM 0 HG2 GLU A 26 4.603 -0.331 -21.949 1.00 2.52 H new ATOM 0 HG3 GLU A 26 6.242 -0.669 -21.432 1.00 2.52 H new ATOM 414 N THR A 27 3.309 -0.642 -24.729 1.00 52.41 N ATOM 415 CA THR A 27 2.156 -0.253 -25.531 1.00 72.24 C ATOM 416 C THR A 27 1.452 0.959 -24.932 1.00 31.21 C ATOM 417 O THR A 27 1.944 1.568 -23.982 1.00 3.44 O ATOM 418 CB THR A 27 1.145 -1.409 -25.659 1.00 1.42 C ATOM 419 OG1 THR A 27 0.530 -1.663 -24.391 1.00 55.02 O ATOM 420 CG2 THR A 27 1.828 -2.672 -26.159 1.00 61.42 C ATOM 0 H THR A 27 3.083 -0.930 -23.777 1.00 52.41 H new ATOM 0 HA THR A 27 2.532 0.003 -26.522 1.00 72.24 H new ATOM 0 HB THR A 27 0.382 -1.118 -26.381 1.00 1.42 H new ATOM 0 HG1 THR A 27 -0.210 -2.295 -24.507 1.00 55.02 H new ATOM 0 HG21 THR A 27 1.095 -3.474 -26.241 1.00 61.42 H new ATOM 0 HG22 THR A 27 2.271 -2.483 -27.137 1.00 61.42 H new ATOM 0 HG23 THR A 27 2.609 -2.965 -25.458 1.00 61.42 H new ATOM 428 N LEU A 28 0.298 1.303 -25.492 1.00 14.43 N ATOM 429 CA LEU A 28 -0.475 2.444 -25.011 1.00 74.54 C ATOM 430 C LEU A 28 -0.797 2.297 -23.528 1.00 1.25 C ATOM 431 O LEU A 28 -0.844 3.283 -22.792 1.00 12.44 O ATOM 432 CB LEU A 28 -1.770 2.582 -25.814 1.00 72.52 C ATOM 433 CG LEU A 28 -1.691 3.448 -27.072 1.00 32.13 C ATOM 434 CD1 LEU A 28 -1.009 2.690 -28.200 1.00 3.21 C ATOM 435 CD2 LEU A 28 -3.081 3.901 -27.495 1.00 43.22 C ATOM 0 H LEU A 28 -0.123 0.809 -26.279 1.00 14.43 H new ATOM 0 HA LEU A 28 0.127 3.342 -25.146 1.00 74.54 H new ATOM 0 HB2 LEU A 28 -2.102 1.585 -26.104 1.00 72.52 H new ATOM 0 HB3 LEU A 28 -2.537 2.996 -25.160 1.00 72.52 H new ATOM 0 HG LEU A 28 -1.096 4.332 -26.845 1.00 32.13 H new ATOM 0 HD11 LEU A 28 -0.962 3.322 -29.087 1.00 3.21 H new ATOM 0 HD12 LEU A 28 0.001 2.416 -27.896 1.00 3.21 H new ATOM 0 HD13 LEU A 28 -1.577 1.788 -28.427 1.00 3.21 H new ATOM 0 HD21 LEU A 28 -3.006 4.516 -28.392 1.00 43.22 H new ATOM 0 HD22 LEU A 28 -3.700 3.029 -27.704 1.00 43.22 H new ATOM 0 HD23 LEU A 28 -3.534 4.483 -26.692 1.00 43.22 H new ATOM 447 N HIS A 29 -1.015 1.060 -23.094 1.00 32.22 N ATOM 448 CA HIS A 29 -1.329 0.784 -21.696 1.00 72.24 C ATOM 449 C HIS A 29 -0.068 0.424 -20.917 1.00 61.40 C ATOM 450 O HIS A 29 -0.132 -0.253 -19.892 1.00 21.04 O ATOM 451 CB HIS A 29 -2.347 -0.353 -21.595 1.00 51.43 C ATOM 452 CG HIS A 29 -3.117 -0.355 -20.310 1.00 41.35 C ATOM 453 ND1 HIS A 29 -3.917 0.695 -19.911 1.00 31.21 N ATOM 454 CD2 HIS A 29 -3.207 -1.288 -19.334 1.00 1.51 C ATOM 455 CE1 HIS A 29 -4.465 0.408 -18.743 1.00 44.33 C ATOM 456 NE2 HIS A 29 -4.050 -0.789 -18.371 1.00 71.44 N ATOM 0 H HIS A 29 -0.980 0.233 -23.690 1.00 32.22 H new ATOM 0 HA HIS A 29 -1.759 1.686 -21.261 1.00 72.24 H new ATOM 0 HB2 HIS A 29 -3.046 -0.279 -22.428 1.00 51.43 H new ATOM 0 HB3 HIS A 29 -1.827 -1.305 -21.699 1.00 51.43 H new ATOM 0 HD2 HIS A 29 -2.709 -2.246 -19.316 1.00 1.51 H new ATOM 0 HE1 HIS A 29 -5.138 1.044 -18.187 1.00 44.33 H new ATOM 0 HE2 HIS A 29 -4.313 -1.266 -17.508 1.00 71.44 H new ATOM 464 N GLY A 30 1.079 0.880 -21.412 1.00 14.52 N ATOM 465 CA GLY A 30 2.338 0.595 -20.750 1.00 62.22 C ATOM 466 C GLY A 30 2.564 -0.891 -20.550 1.00 43.42 C ATOM 467 O GLY A 30 3.170 -1.307 -19.562 1.00 63.33 O ATOM 0 H GLY A 30 1.158 1.442 -22.260 1.00 14.52 H new ATOM 0 HA2 GLY A 30 3.157 1.008 -21.339 1.00 62.22 H new ATOM 0 HA3 GLY A 30 2.358 1.096 -19.782 1.00 62.22 H new ATOM 471 N THR A 31 2.075 -1.694 -21.489 1.00 73.05 N ATOM 472 CA THR A 31 2.224 -3.142 -21.411 1.00 13.42 C ATOM 473 C THR A 31 3.251 -3.644 -22.419 1.00 73.21 C ATOM 474 O THR A 31 3.367 -3.108 -23.521 1.00 62.43 O ATOM 475 CB THR A 31 0.883 -3.859 -21.659 1.00 44.25 C ATOM 476 OG1 THR A 31 -0.087 -2.927 -22.150 1.00 60.24 O ATOM 477 CG2 THR A 31 0.371 -4.507 -20.382 1.00 0.51 C ATOM 0 H THR A 31 1.572 -1.366 -22.313 1.00 73.05 H new ATOM 0 HA THR A 31 2.568 -3.371 -20.402 1.00 13.42 H new ATOM 0 HB THR A 31 1.045 -4.639 -22.403 1.00 44.25 H new ATOM 0 HG1 THR A 31 0.326 -2.350 -22.826 1.00 60.24 H new ATOM 0 HG21 THR A 31 -0.577 -5.007 -20.582 1.00 0.51 H new ATOM 0 HG22 THR A 31 1.099 -5.237 -20.028 1.00 0.51 H new ATOM 0 HG23 THR A 31 0.224 -3.742 -19.620 1.00 0.51 H new ATOM 485 N VAL A 32 3.994 -4.677 -22.035 1.00 72.30 N ATOM 486 CA VAL A 32 5.011 -5.253 -22.907 1.00 31.35 C ATOM 487 C VAL A 32 4.771 -6.744 -23.121 1.00 2.43 C ATOM 488 O VAL A 32 4.350 -7.454 -22.207 1.00 74.24 O ATOM 489 CB VAL A 32 6.425 -5.050 -22.330 1.00 53.42 C ATOM 490 CG1 VAL A 32 6.561 -5.753 -20.989 1.00 21.43 C ATOM 491 CG2 VAL A 32 7.476 -5.546 -23.311 1.00 41.32 C ATOM 0 H VAL A 32 3.911 -5.132 -21.126 1.00 72.30 H new ATOM 0 HA VAL A 32 4.939 -4.735 -23.863 1.00 31.35 H new ATOM 0 HB VAL A 32 6.584 -3.983 -22.171 1.00 53.42 H new ATOM 0 HG11 VAL A 32 7.566 -5.598 -20.597 1.00 21.43 H new ATOM 0 HG12 VAL A 32 5.832 -5.345 -20.289 1.00 21.43 H new ATOM 0 HG13 VAL A 32 6.382 -6.820 -21.118 1.00 21.43 H new ATOM 0 HG21 VAL A 32 8.469 -5.395 -22.888 1.00 41.32 H new ATOM 0 HG22 VAL A 32 7.321 -6.608 -23.504 1.00 41.32 H new ATOM 0 HG23 VAL A 32 7.392 -4.991 -24.246 1.00 41.32 H new ATOM 501 N THR A 33 5.043 -7.213 -24.335 1.00 1.24 N ATOM 502 CA THR A 33 4.855 -8.618 -24.670 1.00 63.45 C ATOM 503 C THR A 33 6.193 -9.340 -24.785 1.00 42.13 C ATOM 504 O THR A 33 7.171 -8.781 -25.284 1.00 35.24 O ATOM 505 CB THR A 33 4.082 -8.782 -25.993 1.00 12.45 C ATOM 506 OG1 THR A 33 4.930 -8.458 -27.100 1.00 23.13 O ATOM 507 CG2 THR A 33 2.850 -7.889 -26.013 1.00 4.42 C ATOM 0 H THR A 33 5.394 -6.640 -25.102 1.00 1.24 H new ATOM 0 HA THR A 33 4.274 -9.060 -23.861 1.00 63.45 H new ATOM 0 HB THR A 33 3.761 -9.820 -26.074 1.00 12.45 H new ATOM 0 HG1 THR A 33 4.431 -8.567 -27.937 1.00 23.13 H new ATOM 0 HG21 THR A 33 2.320 -8.021 -26.956 1.00 4.42 H new ATOM 0 HG22 THR A 33 2.192 -8.158 -25.186 1.00 4.42 H new ATOM 0 HG23 THR A 33 3.154 -6.847 -25.911 1.00 4.42 H new ATOM 515 N VAL A 34 6.231 -10.585 -24.322 1.00 34.14 N ATOM 516 CA VAL A 34 7.449 -11.384 -24.372 1.00 45.53 C ATOM 517 C VAL A 34 7.212 -12.704 -25.096 1.00 34.33 C ATOM 518 O VAL A 34 6.338 -13.483 -24.715 1.00 52.51 O ATOM 519 CB VAL A 34 7.989 -11.675 -22.959 1.00 40.43 C ATOM 520 CG1 VAL A 34 6.923 -12.348 -22.109 1.00 13.44 C ATOM 521 CG2 VAL A 34 9.243 -12.533 -23.035 1.00 12.34 C ATOM 0 H VAL A 34 5.431 -11.063 -23.907 1.00 34.14 H new ATOM 0 HA VAL A 34 8.187 -10.800 -24.921 1.00 45.53 H new ATOM 0 HB VAL A 34 8.252 -10.729 -22.487 1.00 40.43 H new ATOM 0 HG11 VAL A 34 7.322 -12.546 -21.114 1.00 13.44 H new ATOM 0 HG12 VAL A 34 6.055 -11.693 -22.028 1.00 13.44 H new ATOM 0 HG13 VAL A 34 6.626 -13.288 -22.575 1.00 13.44 H new ATOM 0 HG21 VAL A 34 9.611 -12.729 -22.028 1.00 12.34 H new ATOM 0 HG22 VAL A 34 9.008 -13.477 -23.526 1.00 12.34 H new ATOM 0 HG23 VAL A 34 10.009 -12.008 -23.606 1.00 12.34 H new ATOM 531 N GLU A 35 7.996 -12.950 -26.141 1.00 32.14 N ATOM 532 CA GLU A 35 7.869 -14.177 -26.918 1.00 23.42 C ATOM 533 C GLU A 35 9.227 -14.853 -27.093 1.00 55.54 C ATOM 534 O GLU A 35 10.199 -14.219 -27.504 1.00 60.23 O ATOM 535 CB GLU A 35 7.255 -13.879 -28.287 1.00 32.30 C ATOM 536 CG GLU A 35 6.451 -15.035 -28.858 1.00 34.21 C ATOM 537 CD GLU A 35 6.057 -14.814 -30.306 1.00 4.55 C ATOM 538 OE1 GLU A 35 5.285 -13.869 -30.572 1.00 34.22 O ATOM 539 OE2 GLU A 35 6.522 -15.584 -31.172 1.00 12.23 O ATOM 0 H GLU A 35 8.725 -12.316 -26.469 1.00 32.14 H new ATOM 0 HA GLU A 35 7.212 -14.855 -26.374 1.00 23.42 H new ATOM 0 HB2 GLU A 35 6.610 -13.005 -28.204 1.00 32.30 H new ATOM 0 HB3 GLU A 35 8.052 -13.622 -28.985 1.00 32.30 H new ATOM 0 HG2 GLU A 35 7.035 -15.952 -28.780 1.00 34.21 H new ATOM 0 HG3 GLU A 35 5.552 -15.178 -28.259 1.00 34.21 H new ATOM 546 N VAL A 36 9.284 -16.143 -26.778 1.00 44.43 N ATOM 547 CA VAL A 36 10.521 -16.905 -26.901 1.00 42.12 C ATOM 548 C VAL A 36 10.262 -18.279 -27.509 1.00 51.32 C ATOM 549 O VAL A 36 9.124 -18.621 -27.829 1.00 21.40 O ATOM 550 CB VAL A 36 11.209 -17.082 -25.535 1.00 24.04 C ATOM 551 CG1 VAL A 36 11.530 -15.729 -24.918 1.00 54.34 C ATOM 552 CG2 VAL A 36 10.337 -17.909 -24.602 1.00 53.42 C ATOM 0 H VAL A 36 8.488 -16.682 -26.436 1.00 44.43 H new ATOM 0 HA VAL A 36 11.178 -16.337 -27.560 1.00 42.12 H new ATOM 0 HB VAL A 36 12.147 -17.616 -25.688 1.00 24.04 H new ATOM 0 HG11 VAL A 36 12.016 -15.875 -23.953 1.00 54.34 H new ATOM 0 HG12 VAL A 36 12.197 -15.176 -25.580 1.00 54.34 H new ATOM 0 HG13 VAL A 36 10.608 -15.165 -24.778 1.00 54.34 H new ATOM 0 HG21 VAL A 36 10.839 -18.024 -23.641 1.00 53.42 H new ATOM 0 HG22 VAL A 36 9.382 -17.405 -24.454 1.00 53.42 H new ATOM 0 HG23 VAL A 36 10.164 -18.892 -25.041 1.00 53.42 H new ATOM 562 N GLN A 37 11.325 -19.061 -27.665 1.00 41.23 N ATOM 563 CA GLN A 37 11.212 -20.398 -28.237 1.00 2.52 C ATOM 564 C GLN A 37 11.169 -21.457 -27.140 1.00 53.51 C ATOM 565 O GLN A 37 12.194 -21.795 -26.549 1.00 65.44 O ATOM 566 CB GLN A 37 12.384 -20.672 -29.181 1.00 71.10 C ATOM 567 CG GLN A 37 12.123 -20.241 -30.615 1.00 61.44 C ATOM 568 CD GLN A 37 12.532 -18.805 -30.877 1.00 62.30 C ATOM 569 OE1 GLN A 37 12.497 -17.964 -29.979 1.00 13.04 O ATOM 570 NE2 GLN A 37 12.924 -18.517 -32.113 1.00 1.24 N ATOM 0 H GLN A 37 12.274 -18.792 -27.404 1.00 41.23 H new ATOM 0 HA GLN A 37 10.281 -20.447 -28.801 1.00 2.52 H new ATOM 0 HB2 GLN A 37 13.268 -20.153 -28.810 1.00 71.10 H new ATOM 0 HB3 GLN A 37 12.610 -21.738 -29.166 1.00 71.10 H new ATOM 0 HG2 GLN A 37 12.667 -20.899 -31.293 1.00 61.44 H new ATOM 0 HG3 GLN A 37 11.063 -20.359 -30.839 1.00 61.44 H new ATOM 0 HE21 GLN A 37 12.937 -19.246 -32.827 1.00 1.24 H new ATOM 0 HE22 GLN A 37 13.212 -17.567 -32.349 1.00 1.24 H new ATOM 579 N TYR A 38 9.975 -21.975 -26.873 1.00 24.13 N ATOM 580 CA TYR A 38 9.798 -22.993 -25.844 1.00 74.43 C ATOM 581 C TYR A 38 9.980 -24.392 -26.425 1.00 61.24 C ATOM 582 O TYR A 38 9.172 -24.852 -27.231 1.00 75.10 O ATOM 583 CB TYR A 38 8.412 -22.870 -25.209 1.00 12.22 C ATOM 584 CG TYR A 38 8.013 -21.445 -24.897 1.00 44.11 C ATOM 585 CD1 TYR A 38 8.232 -20.902 -23.637 1.00 1.21 C ATOM 586 CD2 TYR A 38 7.418 -20.642 -25.862 1.00 33.22 C ATOM 587 CE1 TYR A 38 7.869 -19.601 -23.347 1.00 43.31 C ATOM 588 CE2 TYR A 38 7.053 -19.340 -25.581 1.00 50.34 C ATOM 589 CZ TYR A 38 7.281 -18.824 -24.323 1.00 15.53 C ATOM 590 OH TYR A 38 6.917 -17.527 -24.039 1.00 43.10 O ATOM 0 H TYR A 38 9.116 -21.707 -27.354 1.00 24.13 H new ATOM 0 HA TYR A 38 10.557 -22.835 -25.078 1.00 74.43 H new ATOM 0 HB2 TYR A 38 7.673 -23.306 -25.882 1.00 12.22 H new ATOM 0 HB3 TYR A 38 8.390 -23.454 -24.289 1.00 12.22 H new ATOM 0 HD1 TYR A 38 8.694 -21.507 -22.871 1.00 1.21 H new ATOM 0 HD2 TYR A 38 7.238 -21.043 -26.849 1.00 33.22 H new ATOM 0 HE1 TYR A 38 8.045 -19.195 -22.362 1.00 43.31 H new ATOM 0 HE2 TYR A 38 6.591 -18.729 -26.343 1.00 50.34 H new ATOM 0 HH TYR A 38 6.517 -17.118 -24.835 1.00 43.10 H new ATOM 600 N ALA A 39 11.049 -25.064 -26.009 1.00 52.24 N ATOM 601 CA ALA A 39 11.338 -26.411 -26.486 1.00 11.41 C ATOM 602 C ALA A 39 11.580 -27.365 -25.321 1.00 50.24 C ATOM 603 O ALA A 39 12.692 -27.853 -25.127 1.00 62.53 O ATOM 604 CB ALA A 39 12.542 -26.394 -27.416 1.00 73.23 C ATOM 0 H ALA A 39 11.729 -24.697 -25.343 1.00 52.24 H new ATOM 0 HA ALA A 39 10.470 -26.768 -27.040 1.00 11.41 H new ATOM 0 HB1 ALA A 39 12.747 -27.406 -27.765 1.00 73.23 H new ATOM 0 HB2 ALA A 39 12.332 -25.751 -28.271 1.00 73.23 H new ATOM 0 HB3 ALA A 39 13.411 -26.012 -26.880 1.00 73.23 H new ATOM 675 N LYS A 46 4.487 -25.083 -17.615 1.00 2.21 N ATOM 676 CA LYS A 46 4.834 -23.702 -17.302 1.00 2.31 C ATOM 677 C LYS A 46 6.337 -23.475 -17.432 1.00 21.52 C ATOM 678 O LYS A 46 7.137 -24.359 -17.122 1.00 40.35 O ATOM 679 CB LYS A 46 4.375 -23.347 -15.886 1.00 30.23 C ATOM 680 CG LYS A 46 4.358 -21.854 -15.608 1.00 30.13 C ATOM 681 CD LYS A 46 2.965 -21.271 -15.779 1.00 4.21 C ATOM 682 CE LYS A 46 2.045 -21.683 -14.640 1.00 53.24 C ATOM 683 NZ LYS A 46 0.622 -21.749 -15.074 1.00 73.02 N ATOM 0 HA LYS A 46 4.324 -23.055 -18.016 1.00 2.31 H new ATOM 0 HB2 LYS A 46 3.375 -23.749 -15.726 1.00 30.23 H new ATOM 0 HB3 LYS A 46 5.033 -23.834 -15.167 1.00 30.23 H new ATOM 0 HG2 LYS A 46 4.709 -21.668 -14.593 1.00 30.13 H new ATOM 0 HG3 LYS A 46 5.050 -21.349 -16.282 1.00 30.13 H new ATOM 0 HD2 LYS A 46 3.027 -20.184 -15.823 1.00 4.21 H new ATOM 0 HD3 LYS A 46 2.544 -21.605 -16.727 1.00 4.21 H new ATOM 0 HE2 LYS A 46 2.354 -22.656 -14.257 1.00 53.24 H new ATOM 0 HE3 LYS A 46 2.142 -20.972 -13.819 1.00 53.24 H new ATOM 0 HZ1 LYS A 46 0.100 -20.942 -14.676 1.00 73.02 H new ATOM 0 HZ2 LYS A 46 0.574 -21.715 -16.112 1.00 73.02 H new ATOM 0 HZ3 LYS A 46 0.197 -22.636 -14.737 1.00 73.02 H new ATOM 697 N VAL A 47 6.715 -22.286 -17.890 1.00 74.10 N ATOM 698 CA VAL A 47 8.122 -21.942 -18.056 1.00 33.21 C ATOM 699 C VAL A 47 8.484 -20.705 -17.243 1.00 4.42 C ATOM 700 O VAL A 47 7.641 -19.859 -16.942 1.00 70.54 O ATOM 701 CB VAL A 47 8.467 -21.690 -19.536 1.00 23.34 C ATOM 702 CG1 VAL A 47 8.424 -22.991 -20.323 1.00 42.00 C ATOM 703 CG2 VAL A 47 7.520 -20.662 -20.136 1.00 23.31 C ATOM 0 H VAL A 47 6.066 -21.544 -18.153 1.00 74.10 H new ATOM 0 HA VAL A 47 8.701 -22.792 -17.696 1.00 33.21 H new ATOM 0 HB VAL A 47 9.480 -21.293 -19.593 1.00 23.34 H new ATOM 0 HG11 VAL A 47 8.670 -22.793 -21.366 1.00 42.00 H new ATOM 0 HG12 VAL A 47 9.147 -23.692 -19.906 1.00 42.00 H new ATOM 0 HG13 VAL A 47 7.424 -23.421 -20.261 1.00 42.00 H new ATOM 0 HG21 VAL A 47 7.778 -20.496 -21.182 1.00 23.31 H new ATOM 0 HG22 VAL A 47 6.496 -21.028 -20.069 1.00 23.31 H new ATOM 0 HG23 VAL A 47 7.607 -19.724 -19.588 1.00 23.31 H new ATOM 713 N PRO A 48 9.770 -20.593 -16.877 1.00 41.44 N ATOM 714 CA PRO A 48 10.275 -19.461 -16.095 1.00 11.43 C ATOM 715 C PRO A 48 10.287 -18.162 -16.895 1.00 25.54 C ATOM 716 O PRO A 48 10.724 -18.136 -18.045 1.00 12.51 O ATOM 717 CB PRO A 48 11.702 -19.884 -15.739 1.00 44.43 C ATOM 718 CG PRO A 48 12.091 -20.842 -16.811 1.00 65.23 C ATOM 719 CD PRO A 48 10.830 -21.562 -17.201 1.00 21.35 C ATOM 0 HA PRO A 48 9.649 -19.254 -15.227 1.00 11.43 H new ATOM 0 HB2 PRO A 48 12.374 -19.026 -15.712 1.00 44.43 H new ATOM 0 HB3 PRO A 48 11.743 -20.352 -14.756 1.00 44.43 H new ATOM 0 HG2 PRO A 48 12.521 -20.318 -17.665 1.00 65.23 H new ATOM 0 HG3 PRO A 48 12.846 -21.543 -16.453 1.00 65.23 H new ATOM 0 HD2 PRO A 48 10.827 -21.822 -18.259 1.00 21.35 H new ATOM 0 HD3 PRO A 48 10.709 -22.491 -16.644 1.00 21.35 H new ATOM 727 N ALA A 49 9.807 -17.088 -16.278 1.00 35.02 N ATOM 728 CA ALA A 49 9.764 -15.786 -16.932 1.00 71.44 C ATOM 729 C ALA A 49 9.714 -14.658 -15.908 1.00 31.00 C ATOM 730 O ALA A 49 8.799 -14.594 -15.087 1.00 43.20 O ATOM 731 CB ALA A 49 8.567 -15.705 -17.869 1.00 21.45 C ATOM 0 H ALA A 49 9.442 -17.094 -15.326 1.00 35.02 H new ATOM 0 HA ALA A 49 10.677 -15.670 -17.516 1.00 71.44 H new ATOM 0 HB1 ALA A 49 8.547 -14.727 -18.351 1.00 21.45 H new ATOM 0 HB2 ALA A 49 8.647 -16.482 -18.629 1.00 21.45 H new ATOM 0 HB3 ALA A 49 7.649 -15.847 -17.299 1.00 21.45 H new ATOM 737 N GLN A 50 10.703 -13.772 -15.962 1.00 53.41 N ATOM 738 CA GLN A 50 10.770 -12.646 -15.038 1.00 3.12 C ATOM 739 C GLN A 50 11.945 -11.734 -15.376 1.00 12.32 C ATOM 740 O GLN A 50 12.697 -11.997 -16.313 1.00 43.55 O ATOM 741 CB GLN A 50 10.897 -13.148 -13.598 1.00 53.43 C ATOM 742 CG GLN A 50 12.070 -14.090 -13.383 1.00 74.44 C ATOM 743 CD GLN A 50 12.584 -14.066 -11.958 1.00 4.03 C ATOM 744 OE1 GLN A 50 12.196 -14.892 -11.131 1.00 1.20 O ATOM 745 NE2 GLN A 50 13.464 -13.116 -11.662 1.00 30.22 N ATOM 0 H GLN A 50 11.468 -13.812 -16.635 1.00 53.41 H new ATOM 0 HA GLN A 50 9.848 -12.072 -15.136 1.00 3.12 H new ATOM 0 HB2 GLN A 50 11.003 -12.292 -12.932 1.00 53.43 H new ATOM 0 HB3 GLN A 50 9.976 -13.659 -13.318 1.00 53.43 H new ATOM 0 HG2 GLN A 50 11.767 -15.105 -13.639 1.00 74.44 H new ATOM 0 HG3 GLN A 50 12.879 -13.818 -14.061 1.00 74.44 H new ATOM 0 HE21 GLN A 50 13.758 -12.452 -12.378 1.00 30.22 H new ATOM 0 HE22 GLN A 50 13.846 -13.051 -10.718 1.00 30.22 H new ATOM 754 N MET A 51 12.095 -10.661 -14.606 1.00 1.10 N ATOM 755 CA MET A 51 13.179 -9.710 -14.824 1.00 23.21 C ATOM 756 C MET A 51 14.098 -9.645 -13.608 1.00 62.40 C ATOM 757 O MET A 51 13.911 -10.379 -12.638 1.00 3.44 O ATOM 758 CB MET A 51 12.615 -8.321 -15.126 1.00 11.32 C ATOM 759 CG MET A 51 11.732 -8.279 -16.362 1.00 52.03 C ATOM 760 SD MET A 51 10.658 -6.831 -16.400 1.00 75.32 S ATOM 761 CE MET A 51 9.195 -7.515 -17.176 1.00 30.14 C ATOM 0 H MET A 51 11.480 -10.428 -13.826 1.00 1.10 H new ATOM 0 HA MET A 51 13.761 -10.051 -15.680 1.00 23.21 H new ATOM 0 HB2 MET A 51 12.040 -7.977 -14.267 1.00 11.32 H new ATOM 0 HB3 MET A 51 13.442 -7.623 -15.256 1.00 11.32 H new ATOM 0 HG2 MET A 51 12.360 -8.284 -17.253 1.00 52.03 H new ATOM 0 HG3 MET A 51 11.121 -9.181 -16.398 1.00 52.03 H new ATOM 0 HE1 MET A 51 8.907 -6.892 -18.023 1.00 30.14 H new ATOM 0 HE2 MET A 51 9.407 -8.526 -17.525 1.00 30.14 H new ATOM 0 HE3 MET A 51 8.380 -7.544 -16.453 1.00 30.14 H new ATOM 771 N ALA A 52 15.091 -8.764 -13.668 1.00 52.33 N ATOM 772 CA ALA A 52 16.038 -8.603 -12.572 1.00 33.42 C ATOM 773 C ALA A 52 16.726 -7.244 -12.635 1.00 61.24 C ATOM 774 O ALA A 52 17.458 -6.951 -13.581 1.00 73.11 O ATOM 775 CB ALA A 52 17.069 -9.721 -12.598 1.00 23.43 C ATOM 0 H ALA A 52 15.260 -8.150 -14.465 1.00 52.33 H new ATOM 0 HA ALA A 52 15.484 -8.656 -11.635 1.00 33.42 H new ATOM 0 HB1 ALA A 52 17.770 -9.589 -11.774 1.00 23.43 H new ATOM 0 HB2 ALA A 52 16.566 -10.682 -12.495 1.00 23.43 H new ATOM 0 HB3 ALA A 52 17.611 -9.694 -13.543 1.00 23.43 H new ATOM 781 N VAL A 53 16.487 -6.417 -11.623 1.00 13.21 N ATOM 782 CA VAL A 53 17.083 -5.088 -11.564 1.00 43.32 C ATOM 783 C VAL A 53 18.605 -5.169 -11.534 1.00 23.43 C ATOM 784 O VAL A 53 19.294 -4.326 -12.109 1.00 22.53 O ATOM 785 CB VAL A 53 16.597 -4.308 -10.328 1.00 20.31 C ATOM 786 CG1 VAL A 53 15.102 -4.041 -10.419 1.00 23.54 C ATOM 787 CG2 VAL A 53 16.935 -5.067 -9.053 1.00 42.15 C ATOM 0 H VAL A 53 15.884 -6.644 -10.832 1.00 13.21 H new ATOM 0 HA VAL A 53 16.768 -4.560 -12.464 1.00 43.32 H new ATOM 0 HB VAL A 53 17.112 -3.348 -10.300 1.00 20.31 H new ATOM 0 HG11 VAL A 53 14.777 -3.489 -9.537 1.00 23.54 H new ATOM 0 HG12 VAL A 53 14.891 -3.454 -11.313 1.00 23.54 H new ATOM 0 HG13 VAL A 53 14.566 -4.988 -10.472 1.00 23.54 H new ATOM 0 HG21 VAL A 53 16.585 -4.502 -8.189 1.00 42.15 H new ATOM 0 HG22 VAL A 53 16.448 -6.042 -9.070 1.00 42.15 H new ATOM 0 HG23 VAL A 53 18.015 -5.201 -8.985 1.00 42.15 H new ATOM 797 N ASP A 54 19.124 -6.190 -10.860 1.00 11.14 N ATOM 798 CA ASP A 54 20.566 -6.382 -10.753 1.00 14.25 C ATOM 799 C ASP A 54 20.940 -7.839 -11.005 1.00 40.14 C ATOM 800 O ASP A 54 20.070 -8.696 -11.158 1.00 41.24 O ATOM 801 CB ASP A 54 21.058 -5.948 -9.371 1.00 21.10 C ATOM 802 CG ASP A 54 22.506 -5.497 -9.388 1.00 35.44 C ATOM 803 OD1 ASP A 54 23.379 -6.291 -8.979 1.00 22.11 O ATOM 804 OD2 ASP A 54 22.765 -4.351 -9.810 1.00 72.40 O ATOM 0 H ASP A 54 18.568 -6.897 -10.380 1.00 11.14 H new ATOM 0 HA ASP A 54 21.048 -5.765 -11.512 1.00 14.25 H new ATOM 0 HB2 ASP A 54 20.431 -5.135 -9.004 1.00 21.10 H new ATOM 0 HB3 ASP A 54 20.947 -6.777 -8.672 1.00 21.10 H new ATOM 809 N MET A 55 22.240 -8.111 -11.049 1.00 61.41 N ATOM 810 CA MET A 55 22.729 -9.465 -11.286 1.00 2.33 C ATOM 811 C MET A 55 23.039 -10.169 -9.968 1.00 52.15 C ATOM 812 O MET A 55 22.823 -11.373 -9.833 1.00 43.03 O ATOM 813 CB MET A 55 23.980 -9.431 -12.166 1.00 22.22 C ATOM 814 CG MET A 55 25.095 -8.563 -11.605 1.00 54.31 C ATOM 815 SD MET A 55 26.571 -8.573 -12.640 1.00 60.31 S ATOM 816 CE MET A 55 27.109 -6.873 -12.479 1.00 44.43 C ATOM 0 H MET A 55 22.973 -7.413 -10.924 1.00 61.41 H new ATOM 0 HA MET A 55 21.947 -10.023 -11.800 1.00 2.33 H new ATOM 0 HB2 MET A 55 24.352 -10.448 -12.294 1.00 22.22 H new ATOM 0 HB3 MET A 55 23.708 -9.064 -13.156 1.00 22.22 H new ATOM 0 HG2 MET A 55 24.736 -7.539 -11.501 1.00 54.31 H new ATOM 0 HG3 MET A 55 25.354 -8.913 -10.606 1.00 54.31 H new ATOM 0 HE1 MET A 55 28.016 -6.721 -13.065 1.00 44.43 H new ATOM 0 HE2 MET A 55 26.326 -6.208 -12.843 1.00 44.43 H new ATOM 0 HE3 MET A 55 27.313 -6.654 -11.431 1.00 44.43 H new ATOM 826 N GLN A 56 23.545 -9.410 -9.002 1.00 20.34 N ATOM 827 CA GLN A 56 23.883 -9.963 -7.696 1.00 24.24 C ATOM 828 C GLN A 56 22.631 -10.428 -6.960 1.00 71.21 C ATOM 829 O GLN A 56 22.647 -11.445 -6.265 1.00 53.21 O ATOM 830 CB GLN A 56 24.626 -8.923 -6.855 1.00 23.30 C ATOM 831 CG GLN A 56 25.246 -9.494 -5.589 1.00 55.23 C ATOM 832 CD GLN A 56 26.350 -8.617 -5.033 1.00 51.42 C ATOM 833 OE1 GLN A 56 26.107 -7.485 -4.614 1.00 5.51 O ATOM 834 NE2 GLN A 56 27.572 -9.136 -5.027 1.00 10.14 N ATOM 0 H GLN A 56 23.730 -8.412 -9.099 1.00 20.34 H new ATOM 0 HA GLN A 56 24.531 -10.825 -7.852 1.00 24.24 H new ATOM 0 HB2 GLN A 56 25.411 -8.471 -7.462 1.00 23.30 H new ATOM 0 HB3 GLN A 56 23.934 -8.126 -6.583 1.00 23.30 H new ATOM 0 HG2 GLN A 56 24.470 -9.618 -4.833 1.00 55.23 H new ATOM 0 HG3 GLN A 56 25.647 -10.485 -5.800 1.00 55.23 H new ATOM 0 HE21 GLN A 56 27.727 -10.079 -5.384 1.00 10.14 H new ATOM 0 HE22 GLN A 56 28.355 -8.592 -4.665 1.00 10.14 H new ATOM 843 N THR A 57 21.545 -9.677 -7.117 1.00 62.11 N ATOM 844 CA THR A 57 20.284 -10.011 -6.467 1.00 23.01 C ATOM 845 C THR A 57 19.414 -10.880 -7.368 1.00 41.41 C ATOM 846 O THR A 57 18.977 -11.960 -6.971 1.00 75.54 O ATOM 847 CB THR A 57 19.499 -8.744 -6.080 1.00 54.35 C ATOM 848 OG1 THR A 57 19.273 -7.934 -7.240 1.00 63.30 O ATOM 849 CG2 THR A 57 20.252 -7.939 -5.032 1.00 52.43 C ATOM 0 H THR A 57 21.514 -8.833 -7.689 1.00 62.11 H new ATOM 0 HA THR A 57 20.532 -10.566 -5.562 1.00 23.01 H new ATOM 0 HB THR A 57 18.541 -9.051 -5.660 1.00 54.35 H new ATOM 0 HG1 THR A 57 18.772 -7.131 -6.986 1.00 63.30 H new ATOM 0 HG21 THR A 57 19.678 -7.049 -4.775 1.00 52.43 H new ATOM 0 HG22 THR A 57 20.396 -8.548 -4.140 1.00 52.43 H new ATOM 0 HG23 THR A 57 21.223 -7.642 -5.429 1.00 52.43 H new ATOM 857 N LEU A 58 19.167 -10.402 -8.583 1.00 12.44 N ATOM 858 CA LEU A 58 18.350 -11.136 -9.542 1.00 75.11 C ATOM 859 C LEU A 58 17.013 -11.536 -8.925 1.00 70.15 C ATOM 860 O LEU A 58 16.600 -12.693 -9.008 1.00 75.21 O ATOM 861 CB LEU A 58 19.093 -12.382 -10.027 1.00 43.43 C ATOM 862 CG LEU A 58 20.170 -12.150 -11.089 1.00 15.25 C ATOM 863 CD1 LEU A 58 21.122 -13.334 -11.151 1.00 35.11 C ATOM 864 CD2 LEU A 58 19.533 -11.903 -12.448 1.00 41.45 C ATOM 0 H LEU A 58 19.521 -9.509 -8.927 1.00 12.44 H new ATOM 0 HA LEU A 58 18.156 -10.482 -10.392 1.00 75.11 H new ATOM 0 HB2 LEU A 58 19.558 -12.862 -9.166 1.00 43.43 H new ATOM 0 HB3 LEU A 58 18.362 -13.084 -10.427 1.00 43.43 H new ATOM 0 HG LEU A 58 20.742 -11.265 -10.812 1.00 15.25 H new ATOM 0 HD11 LEU A 58 21.881 -13.151 -11.912 1.00 35.11 H new ATOM 0 HD12 LEU A 58 21.604 -13.465 -10.182 1.00 35.11 H new ATOM 0 HD13 LEU A 58 20.565 -14.236 -11.404 1.00 35.11 H new ATOM 0 HD21 LEU A 58 20.313 -11.740 -13.191 1.00 41.45 H new ATOM 0 HD22 LEU A 58 18.936 -12.769 -12.733 1.00 41.45 H new ATOM 0 HD23 LEU A 58 18.893 -11.023 -12.395 1.00 41.45 H new ATOM 876 N THR A 59 16.339 -10.570 -8.308 1.00 61.42 N ATOM 877 CA THR A 59 15.049 -10.821 -7.679 1.00 11.04 C ATOM 878 C THR A 59 13.909 -10.662 -8.678 1.00 61.23 C ATOM 879 O THR A 59 14.004 -9.914 -9.651 1.00 44.32 O ATOM 880 CB THR A 59 14.810 -9.871 -6.490 1.00 30.02 C ATOM 881 OG1 THR A 59 15.173 -8.534 -6.851 1.00 4.24 O ATOM 882 CG2 THR A 59 15.614 -10.311 -5.276 1.00 3.53 C ATOM 0 H THR A 59 16.666 -9.607 -8.231 1.00 61.42 H new ATOM 0 HA THR A 59 15.069 -11.849 -7.316 1.00 11.04 H new ATOM 0 HB THR A 59 13.751 -9.903 -6.235 1.00 30.02 H new ATOM 0 HG1 THR A 59 15.017 -7.936 -6.091 1.00 4.24 H new ATOM 0 HG21 THR A 59 15.429 -9.625 -4.449 1.00 3.53 H new ATOM 0 HG22 THR A 59 15.314 -11.318 -4.986 1.00 3.53 H new ATOM 0 HG23 THR A 59 16.676 -10.305 -5.521 1.00 3.53 H new ATOM 890 N PRO A 60 12.803 -11.382 -8.436 1.00 4.45 N ATOM 891 CA PRO A 60 11.623 -11.336 -9.304 1.00 21.53 C ATOM 892 C PRO A 60 10.892 -10.001 -9.219 1.00 35.35 C ATOM 893 O PRO A 60 10.558 -9.533 -8.130 1.00 21.01 O ATOM 894 CB PRO A 60 10.741 -12.465 -8.763 1.00 5.23 C ATOM 895 CG PRO A 60 11.152 -12.617 -7.339 1.00 1.22 C ATOM 896 CD PRO A 60 12.620 -12.294 -7.294 1.00 61.14 C ATOM 0 HA PRO A 60 11.886 -11.449 -10.356 1.00 21.53 H new ATOM 0 HB2 PRO A 60 9.683 -12.215 -8.845 1.00 5.23 H new ATOM 0 HB3 PRO A 60 10.895 -13.389 -9.320 1.00 5.23 H new ATOM 0 HG2 PRO A 60 10.585 -11.945 -6.695 1.00 1.22 H new ATOM 0 HG3 PRO A 60 10.965 -13.631 -6.985 1.00 1.22 H new ATOM 0 HD2 PRO A 60 12.899 -11.820 -6.353 1.00 61.14 H new ATOM 0 HD3 PRO A 60 13.232 -13.190 -7.393 1.00 61.14 H new ATOM 904 N VAL A 61 10.644 -9.392 -10.374 1.00 21.40 N ATOM 905 CA VAL A 61 9.951 -8.111 -10.430 1.00 4.33 C ATOM 906 C VAL A 61 8.926 -8.089 -11.558 1.00 45.51 C ATOM 907 O VAL A 61 9.185 -8.580 -12.656 1.00 21.44 O ATOM 908 CB VAL A 61 10.940 -6.946 -10.626 1.00 64.33 C ATOM 909 CG1 VAL A 61 11.811 -6.771 -9.392 1.00 24.13 C ATOM 910 CG2 VAL A 61 11.795 -7.177 -11.864 1.00 10.15 C ATOM 0 H VAL A 61 10.913 -9.766 -11.284 1.00 21.40 H new ATOM 0 HA VAL A 61 9.439 -7.986 -9.476 1.00 4.33 H new ATOM 0 HB VAL A 61 10.370 -6.028 -10.771 1.00 64.33 H new ATOM 0 HG11 VAL A 61 12.503 -5.944 -9.549 1.00 24.13 H new ATOM 0 HG12 VAL A 61 11.180 -6.557 -8.529 1.00 24.13 H new ATOM 0 HG13 VAL A 61 12.375 -7.686 -9.212 1.00 24.13 H new ATOM 0 HG21 VAL A 61 12.488 -6.345 -11.988 1.00 10.15 H new ATOM 0 HG22 VAL A 61 12.357 -8.104 -11.750 1.00 10.15 H new ATOM 0 HG23 VAL A 61 11.153 -7.248 -12.742 1.00 10.15 H new ATOM 920 N GLY A 62 7.760 -7.513 -11.280 1.00 63.20 N ATOM 921 CA GLY A 62 6.713 -7.437 -12.282 1.00 3.11 C ATOM 922 C GLY A 62 5.708 -8.565 -12.158 1.00 5.04 C ATOM 923 O GLY A 62 5.999 -9.600 -11.558 1.00 72.53 O ATOM 0 H GLY A 62 7.522 -7.098 -10.379 1.00 63.20 H new ATOM 0 HA2 GLY A 62 6.196 -6.482 -12.190 1.00 3.11 H new ATOM 0 HA3 GLY A 62 7.162 -7.462 -13.275 1.00 3.11 H new ATOM 927 N ARG A 63 4.523 -8.364 -12.724 1.00 31.44 N ATOM 928 CA ARG A 63 3.470 -9.372 -12.670 1.00 3.33 C ATOM 929 C ARG A 63 3.192 -9.942 -14.057 1.00 55.44 C ATOM 930 O ARG A 63 3.614 -9.378 -15.068 1.00 63.41 O ATOM 931 CB ARG A 63 2.190 -8.771 -12.087 1.00 32.24 C ATOM 932 CG ARG A 63 1.326 -9.780 -11.347 1.00 52.14 C ATOM 933 CD ARG A 63 0.422 -9.100 -10.331 1.00 21.13 C ATOM 934 NE ARG A 63 -0.481 -10.047 -9.682 1.00 55.33 N ATOM 935 CZ ARG A 63 -1.454 -9.684 -8.853 1.00 61.41 C ATOM 936 NH1 ARG A 63 -1.648 -8.403 -8.573 1.00 40.04 N ATOM 937 NH2 ARG A 63 -2.235 -10.605 -8.302 1.00 51.33 N ATOM 0 H ARG A 63 4.267 -7.513 -13.225 1.00 31.44 H new ATOM 0 HA ARG A 63 3.809 -10.182 -12.025 1.00 3.33 H new ATOM 0 HB2 ARG A 63 2.456 -7.963 -11.405 1.00 32.24 H new ATOM 0 HB3 ARG A 63 1.606 -8.328 -12.894 1.00 32.24 H new ATOM 0 HG2 ARG A 63 0.719 -10.335 -12.062 1.00 52.14 H new ATOM 0 HG3 ARG A 63 1.964 -10.505 -10.841 1.00 52.14 H new ATOM 0 HD2 ARG A 63 1.033 -8.606 -9.576 1.00 21.13 H new ATOM 0 HD3 ARG A 63 -0.161 -8.324 -10.827 1.00 21.13 H new ATOM 0 HE ARG A 63 -0.358 -11.041 -9.876 1.00 55.33 H new ATOM 0 HH11 ARG A 63 -1.050 -7.693 -8.994 1.00 40.04 H new ATOM 0 HH12 ARG A 63 -2.396 -8.128 -7.936 1.00 40.04 H new ATOM 0 HH21 ARG A 63 -2.088 -11.592 -8.515 1.00 51.33 H new ATOM 0 HH22 ARG A 63 -2.982 -10.326 -7.666 1.00 51.33 H new ATOM 951 N LEU A 64 2.478 -11.062 -14.099 1.00 3.51 N ATOM 952 CA LEU A 64 2.144 -11.709 -15.363 1.00 34.04 C ATOM 953 C LEU A 64 0.643 -11.644 -15.627 1.00 52.21 C ATOM 954 O LEU A 64 -0.155 -12.207 -14.876 1.00 44.52 O ATOM 955 CB LEU A 64 2.608 -13.166 -15.350 1.00 70.52 C ATOM 956 CG LEU A 64 2.297 -13.959 -14.080 1.00 62.21 C ATOM 957 CD1 LEU A 64 2.088 -15.430 -14.406 1.00 54.44 C ATOM 958 CD2 LEU A 64 3.414 -13.791 -13.060 1.00 31.20 C ATOM 0 H LEU A 64 2.120 -11.541 -13.273 1.00 3.51 H new ATOM 0 HA LEU A 64 2.659 -11.177 -16.163 1.00 34.04 H new ATOM 0 HB2 LEU A 64 2.151 -13.679 -16.196 1.00 70.52 H new ATOM 0 HB3 LEU A 64 3.686 -13.184 -15.511 1.00 70.52 H new ATOM 0 HG LEU A 64 1.375 -13.569 -13.648 1.00 62.21 H new ATOM 0 HD11 LEU A 64 1.868 -15.978 -13.490 1.00 54.44 H new ATOM 0 HD12 LEU A 64 1.254 -15.534 -15.100 1.00 54.44 H new ATOM 0 HD13 LEU A 64 2.992 -15.834 -14.862 1.00 54.44 H new ATOM 0 HD21 LEU A 64 3.176 -14.362 -12.163 1.00 31.20 H new ATOM 0 HD22 LEU A 64 4.351 -14.154 -13.483 1.00 31.20 H new ATOM 0 HD23 LEU A 64 3.516 -12.737 -12.803 1.00 31.20 H new ATOM 970 N ILE A 65 0.266 -10.956 -16.699 1.00 53.14 N ATOM 971 CA ILE A 65 -1.139 -10.821 -17.065 1.00 21.11 C ATOM 972 C ILE A 65 -1.780 -12.185 -17.298 1.00 64.21 C ATOM 973 O ILE A 65 -2.891 -12.449 -16.838 1.00 52.23 O ATOM 974 CB ILE A 65 -1.311 -9.962 -18.332 1.00 32.34 C ATOM 975 CG1 ILE A 65 -0.691 -8.579 -18.125 1.00 25.23 C ATOM 976 CG2 ILE A 65 -2.784 -9.839 -18.692 1.00 31.40 C ATOM 977 CD1 ILE A 65 -1.286 -7.818 -16.961 1.00 43.20 C ATOM 0 H ILE A 65 0.914 -10.483 -17.330 1.00 53.14 H new ATOM 0 HA ILE A 65 -1.636 -10.326 -16.231 1.00 21.11 H new ATOM 0 HB ILE A 65 -0.794 -10.451 -19.158 1.00 32.34 H new ATOM 0 HG12 ILE A 65 0.381 -8.691 -17.965 1.00 25.23 H new ATOM 0 HG13 ILE A 65 -0.818 -7.993 -19.035 1.00 25.23 H new ATOM 0 HG21 ILE A 65 -2.890 -9.229 -19.589 1.00 31.40 H new ATOM 0 HG22 ILE A 65 -3.198 -10.831 -18.876 1.00 31.40 H new ATOM 0 HG23 ILE A 65 -3.322 -9.369 -17.869 1.00 31.40 H new ATOM 0 HD11 ILE A 65 -0.799 -6.847 -16.874 1.00 43.20 H new ATOM 0 HD12 ILE A 65 -2.354 -7.675 -17.128 1.00 43.20 H new ATOM 0 HD13 ILE A 65 -1.135 -8.383 -16.041 1.00 43.20 H new ATOM 989 N THR A 66 -1.070 -13.052 -18.015 1.00 10.53 N ATOM 990 CA THR A 66 -1.569 -14.389 -18.310 1.00 41.42 C ATOM 991 C THR A 66 -1.902 -15.146 -17.030 1.00 71.42 C ATOM 992 O THR A 66 -1.391 -14.827 -15.957 1.00 44.15 O ATOM 993 CB THR A 66 -0.545 -15.203 -19.124 1.00 35.02 C ATOM 994 OG1 THR A 66 -1.077 -16.498 -19.424 1.00 33.33 O ATOM 995 CG2 THR A 66 0.761 -15.350 -18.358 1.00 34.40 C ATOM 0 H THR A 66 -0.148 -12.851 -18.402 1.00 10.53 H new ATOM 0 HA THR A 66 -2.476 -14.265 -18.901 1.00 41.42 H new ATOM 0 HB THR A 66 -0.344 -14.669 -20.053 1.00 35.02 H new ATOM 0 HG1 THR A 66 -0.421 -17.009 -19.943 1.00 33.33 H new ATOM 0 HG21 THR A 66 1.468 -15.928 -18.952 1.00 34.40 H new ATOM 0 HG22 THR A 66 1.178 -14.363 -18.157 1.00 34.40 H new ATOM 0 HG23 THR A 66 0.574 -15.864 -17.415 1.00 34.40 H new ATOM 1003 N ALA A 67 -2.762 -16.152 -17.150 1.00 71.55 N ATOM 1004 CA ALA A 67 -3.161 -16.958 -16.003 1.00 1.11 C ATOM 1005 C ALA A 67 -2.413 -18.287 -15.978 1.00 41.43 C ATOM 1006 O ALA A 67 -1.789 -18.640 -14.979 1.00 1.33 O ATOM 1007 CB ALA A 67 -4.664 -17.196 -16.022 1.00 25.30 C ATOM 0 H ALA A 67 -3.196 -16.428 -18.031 1.00 71.55 H new ATOM 0 HA ALA A 67 -2.903 -16.409 -15.097 1.00 1.11 H new ATOM 0 HB1 ALA A 67 -4.948 -17.799 -15.160 1.00 25.30 H new ATOM 0 HB2 ALA A 67 -5.184 -16.239 -15.982 1.00 25.30 H new ATOM 0 HB3 ALA A 67 -4.938 -17.720 -16.938 1.00 25.30 H new ATOM 1013 N ASN A 68 -2.481 -19.019 -17.085 1.00 70.40 N ATOM 1014 CA ASN A 68 -1.811 -20.311 -17.189 1.00 53.31 C ATOM 1015 C ASN A 68 -1.054 -20.426 -18.509 1.00 34.23 C ATOM 1016 O ASN A 68 -1.470 -21.126 -19.432 1.00 72.23 O ATOM 1017 CB ASN A 68 -2.829 -21.447 -17.071 1.00 23.33 C ATOM 1018 CG ASN A 68 -2.855 -22.058 -15.683 1.00 1.44 C ATOM 1019 OD1 ASN A 68 -3.278 -21.418 -14.719 1.00 70.43 O ATOM 1020 ND2 ASN A 68 -2.401 -23.301 -15.574 1.00 50.25 N ATOM 0 H ASN A 68 -2.993 -18.740 -17.922 1.00 70.40 H new ATOM 0 HA ASN A 68 -1.094 -20.388 -16.372 1.00 53.31 H new ATOM 0 HB2 ASN A 68 -3.821 -21.069 -17.317 1.00 23.33 H new ATOM 0 HB3 ASN A 68 -2.592 -22.221 -17.801 1.00 23.33 H new ATOM 0 HD21 ASN A 68 -2.393 -23.763 -14.665 1.00 50.25 H new ATOM 0 HD22 ASN A 68 -2.060 -23.794 -16.399 1.00 50.25 H new ATOM 1027 N PRO A 69 0.085 -19.724 -18.601 1.00 14.21 N ATOM 1028 CA PRO A 69 0.925 -19.733 -19.802 1.00 0.40 C ATOM 1029 C PRO A 69 1.620 -21.073 -20.014 1.00 32.55 C ATOM 1030 O PRO A 69 2.475 -21.472 -19.223 1.00 62.41 O ATOM 1031 CB PRO A 69 1.955 -18.635 -19.522 1.00 73.14 C ATOM 1032 CG PRO A 69 2.023 -18.549 -18.037 1.00 30.23 C ATOM 1033 CD PRO A 69 0.640 -18.867 -17.540 1.00 30.45 C ATOM 0 HA PRO A 69 0.342 -19.569 -20.708 1.00 0.40 H new ATOM 0 HB2 PRO A 69 2.926 -18.885 -19.949 1.00 73.14 H new ATOM 0 HB3 PRO A 69 1.650 -17.685 -19.960 1.00 73.14 H new ATOM 0 HG2 PRO A 69 2.753 -19.254 -17.638 1.00 30.23 H new ATOM 0 HG3 PRO A 69 2.333 -17.554 -17.718 1.00 30.23 H new ATOM 0 HD2 PRO A 69 0.667 -19.382 -16.580 1.00 30.45 H new ATOM 0 HD3 PRO A 69 0.046 -17.964 -17.401 1.00 30.45 H new ATOM 1041 N VAL A 70 1.247 -21.765 -21.086 1.00 31.45 N ATOM 1042 CA VAL A 70 1.835 -23.062 -21.401 1.00 53.22 C ATOM 1043 C VAL A 70 1.885 -23.290 -22.908 1.00 21.23 C ATOM 1044 O VAL A 70 1.209 -22.602 -23.673 1.00 11.02 O ATOM 1045 CB VAL A 70 1.046 -24.210 -20.745 1.00 32.50 C ATOM 1046 CG1 VAL A 70 0.930 -23.990 -19.245 1.00 14.35 C ATOM 1047 CG2 VAL A 70 -0.330 -24.343 -21.381 1.00 3.11 C ATOM 0 H VAL A 70 0.541 -21.449 -21.751 1.00 31.45 H new ATOM 0 HA VAL A 70 2.850 -23.055 -21.003 1.00 53.22 H new ATOM 0 HB VAL A 70 1.589 -25.141 -20.910 1.00 32.50 H new ATOM 0 HG11 VAL A 70 0.369 -24.811 -18.799 1.00 14.35 H new ATOM 0 HG12 VAL A 70 1.926 -23.950 -18.805 1.00 14.35 H new ATOM 0 HG13 VAL A 70 0.411 -23.051 -19.054 1.00 14.35 H new ATOM 0 HG21 VAL A 70 -0.873 -25.159 -20.905 1.00 3.11 H new ATOM 0 HG22 VAL A 70 -0.883 -23.413 -21.249 1.00 3.11 H new ATOM 0 HG23 VAL A 70 -0.220 -24.552 -22.445 1.00 3.11 H new ATOM 1057 N ILE A 71 2.690 -24.261 -23.327 1.00 1.33 N ATOM 1058 CA ILE A 71 2.828 -24.580 -24.742 1.00 72.51 C ATOM 1059 C ILE A 71 1.929 -25.749 -25.132 1.00 13.31 C ATOM 1060 O ILE A 71 2.185 -26.895 -24.761 1.00 73.04 O ATOM 1061 CB ILE A 71 4.285 -24.926 -25.102 1.00 32.41 C ATOM 1062 CG1 ILE A 71 5.233 -23.847 -24.575 1.00 61.15 C ATOM 1063 CG2 ILE A 71 4.436 -25.083 -26.608 1.00 33.14 C ATOM 1064 CD1 ILE A 71 4.988 -22.481 -25.178 1.00 21.41 C ATOM 0 H ILE A 71 3.256 -24.840 -22.707 1.00 1.33 H new ATOM 0 HA ILE A 71 2.527 -23.691 -25.296 1.00 72.51 H new ATOM 0 HB ILE A 71 4.545 -25.874 -24.630 1.00 32.41 H new ATOM 0 HG12 ILE A 71 5.129 -23.781 -23.492 1.00 61.15 H new ATOM 0 HG13 ILE A 71 6.261 -24.146 -24.779 1.00 61.15 H new ATOM 0 HG21 ILE A 71 5.471 -25.327 -26.846 1.00 33.14 H new ATOM 0 HG22 ILE A 71 3.784 -25.884 -26.957 1.00 33.14 H new ATOM 0 HG23 ILE A 71 4.161 -24.150 -27.100 1.00 33.14 H new ATOM 0 HD11 ILE A 71 5.696 -21.766 -24.759 1.00 21.41 H new ATOM 0 HD12 ILE A 71 5.120 -22.531 -26.259 1.00 21.41 H new ATOM 0 HD13 ILE A 71 3.971 -22.160 -24.951 1.00 21.41 H new ATOM 1076 N THR A 72 0.874 -25.451 -25.884 1.00 75.20 N ATOM 1077 CA THR A 72 -0.064 -26.476 -26.325 1.00 71.11 C ATOM 1078 C THR A 72 0.128 -26.798 -27.803 1.00 24.25 C ATOM 1079 O THR A 72 -0.724 -27.432 -28.425 1.00 5.34 O ATOM 1080 CB THR A 72 -1.523 -26.040 -26.092 1.00 71.42 C ATOM 1081 OG1 THR A 72 -1.714 -24.699 -26.556 1.00 62.10 O ATOM 1082 CG2 THR A 72 -1.885 -26.129 -24.617 1.00 53.44 C ATOM 0 H THR A 72 0.648 -24.508 -26.200 1.00 75.20 H new ATOM 0 HA THR A 72 0.140 -27.367 -25.732 1.00 71.11 H new ATOM 0 HB THR A 72 -2.174 -26.713 -26.651 1.00 71.42 H new ATOM 0 HG1 THR A 72 -2.644 -24.430 -26.406 1.00 62.10 H new ATOM 0 HG21 THR A 72 -2.920 -25.816 -24.477 1.00 53.44 H new ATOM 0 HG22 THR A 72 -1.767 -27.157 -24.275 1.00 53.44 H new ATOM 0 HG23 THR A 72 -1.228 -25.477 -24.041 1.00 53.44 H new ATOM 1090 N GLU A 73 1.253 -26.358 -28.358 1.00 24.52 N ATOM 1091 CA GLU A 73 1.557 -26.602 -29.763 1.00 52.11 C ATOM 1092 C GLU A 73 2.052 -28.030 -29.973 1.00 75.14 C ATOM 1093 O GLU A 73 2.795 -28.568 -29.153 1.00 44.12 O ATOM 1094 CB GLU A 73 2.608 -25.608 -30.260 1.00 44.14 C ATOM 1095 CG GLU A 73 2.021 -24.298 -30.759 1.00 35.50 C ATOM 1096 CD GLU A 73 1.251 -24.461 -32.056 1.00 2.44 C ATOM 1097 OE1 GLU A 73 1.833 -24.193 -33.128 1.00 4.34 O ATOM 1098 OE2 GLU A 73 0.068 -24.855 -31.999 1.00 12.23 O ATOM 0 H GLU A 73 1.968 -25.831 -27.857 1.00 24.52 H new ATOM 0 HA GLU A 73 0.639 -26.466 -30.336 1.00 52.11 H new ATOM 0 HB2 GLU A 73 3.308 -25.398 -29.451 1.00 44.14 H new ATOM 0 HB3 GLU A 73 3.180 -26.070 -31.065 1.00 44.14 H new ATOM 0 HG2 GLU A 73 1.359 -23.887 -29.997 1.00 35.50 H new ATOM 0 HG3 GLU A 73 2.825 -23.576 -30.906 1.00 35.50 H new ATOM 1105 N SER A 74 1.632 -28.639 -31.078 1.00 41.31 N ATOM 1106 CA SER A 74 2.027 -30.006 -31.395 1.00 24.25 C ATOM 1107 C SER A 74 3.467 -30.053 -31.898 1.00 52.12 C ATOM 1108 O SER A 74 4.229 -30.958 -31.555 1.00 53.34 O ATOM 1109 CB SER A 74 1.088 -30.601 -32.445 1.00 72.03 C ATOM 1110 OG SER A 74 0.868 -29.689 -33.507 1.00 54.12 O ATOM 0 H SER A 74 1.018 -28.207 -31.768 1.00 41.31 H new ATOM 0 HA SER A 74 1.960 -30.598 -30.482 1.00 24.25 H new ATOM 0 HB2 SER A 74 1.514 -31.525 -32.837 1.00 72.03 H new ATOM 0 HB3 SER A 74 0.136 -30.861 -31.981 1.00 72.03 H new ATOM 0 HG SER A 74 0.266 -30.093 -34.166 1.00 54.12 H new ATOM 1116 N THR A 75 3.833 -29.070 -32.715 1.00 64.44 N ATOM 1117 CA THR A 75 5.180 -28.999 -33.268 1.00 51.53 C ATOM 1118 C THR A 75 6.179 -28.517 -32.222 1.00 52.14 C ATOM 1119 O THR A 75 5.794 -27.976 -31.187 1.00 15.14 O ATOM 1120 CB THR A 75 5.237 -28.059 -34.487 1.00 41.34 C ATOM 1121 OG1 THR A 75 4.688 -26.781 -34.147 1.00 53.12 O ATOM 1122 CG2 THR A 75 4.472 -28.649 -35.662 1.00 72.12 C ATOM 0 H THR A 75 3.216 -28.313 -33.008 1.00 64.44 H new ATOM 0 HA THR A 75 5.446 -30.008 -33.583 1.00 51.53 H new ATOM 0 HB THR A 75 6.281 -27.940 -34.777 1.00 41.34 H new ATOM 0 HG1 THR A 75 4.730 -26.189 -34.927 1.00 53.12 H new ATOM 0 HG21 THR A 75 4.527 -27.967 -36.511 1.00 72.12 H new ATOM 0 HG22 THR A 75 4.911 -29.608 -35.938 1.00 72.12 H new ATOM 0 HG23 THR A 75 3.429 -28.795 -35.381 1.00 72.12 H new ATOM 1130 N GLU A 76 7.463 -28.717 -32.501 1.00 42.41 N ATOM 1131 CA GLU A 76 8.517 -28.302 -31.583 1.00 0.43 C ATOM 1132 C GLU A 76 8.996 -26.889 -31.907 1.00 21.52 C ATOM 1133 O GLU A 76 8.707 -26.355 -32.976 1.00 53.22 O ATOM 1134 CB GLU A 76 9.693 -29.278 -31.646 1.00 62.21 C ATOM 1135 CG GLU A 76 10.348 -29.355 -33.015 1.00 53.43 C ATOM 1136 CD GLU A 76 11.460 -30.383 -33.073 1.00 62.45 C ATOM 1137 OE1 GLU A 76 11.932 -30.808 -31.998 1.00 13.24 O ATOM 1138 OE2 GLU A 76 11.859 -30.764 -34.194 1.00 3.32 O ATOM 0 H GLU A 76 7.798 -29.163 -33.355 1.00 42.41 H new ATOM 0 HA GLU A 76 8.106 -28.305 -30.574 1.00 0.43 H new ATOM 0 HB2 GLU A 76 10.441 -28.980 -30.911 1.00 62.21 H new ATOM 0 HB3 GLU A 76 9.345 -30.271 -31.363 1.00 62.21 H new ATOM 0 HG2 GLU A 76 9.593 -29.600 -33.762 1.00 53.43 H new ATOM 0 HG3 GLU A 76 10.749 -28.376 -33.277 1.00 53.43 H new ATOM 1145 N ASN A 77 9.730 -26.291 -30.974 1.00 63.51 N ATOM 1146 CA ASN A 77 10.247 -24.940 -31.158 1.00 71.11 C ATOM 1147 C ASN A 77 9.115 -23.961 -31.457 1.00 65.20 C ATOM 1148 O ASN A 77 9.176 -23.204 -32.425 1.00 51.43 O ATOM 1149 CB ASN A 77 11.272 -24.914 -32.293 1.00 43.24 C ATOM 1150 CG ASN A 77 12.566 -25.611 -31.920 1.00 62.21 C ATOM 1151 OD1 ASN A 77 13.254 -25.207 -30.983 1.00 2.33 O ATOM 1152 ND2 ASN A 77 12.903 -26.665 -32.654 1.00 63.14 N ATOM 0 H ASN A 77 9.980 -26.721 -30.083 1.00 63.51 H new ATOM 0 HA ASN A 77 10.733 -24.634 -30.232 1.00 71.11 H new ATOM 0 HB2 ASN A 77 10.846 -25.393 -33.175 1.00 43.24 H new ATOM 0 HB3 ASN A 77 11.485 -23.880 -32.563 1.00 43.24 H new ATOM 0 HD21 ASN A 77 13.763 -27.175 -32.450 1.00 63.14 H new ATOM 0 HD22 ASN A 77 12.302 -26.965 -33.422 1.00 63.14 H new ATOM 1159 N SER A 78 8.085 -23.983 -30.618 1.00 54.32 N ATOM 1160 CA SER A 78 6.937 -23.100 -30.795 1.00 20.54 C ATOM 1161 C SER A 78 7.125 -21.802 -30.016 1.00 63.01 C ATOM 1162 O SER A 78 8.021 -21.690 -29.179 1.00 21.22 O ATOM 1163 CB SER A 78 5.655 -23.800 -30.340 1.00 14.23 C ATOM 1164 OG SER A 78 5.326 -24.874 -31.203 1.00 71.41 O ATOM 0 H SER A 78 8.021 -24.602 -29.810 1.00 54.32 H new ATOM 0 HA SER A 78 6.855 -22.858 -31.855 1.00 20.54 H new ATOM 0 HB2 SER A 78 5.781 -24.172 -29.323 1.00 14.23 H new ATOM 0 HB3 SER A 78 4.834 -23.083 -30.317 1.00 14.23 H new ATOM 0 HG SER A 78 5.665 -25.712 -30.826 1.00 71.41 H new ATOM 1170 N LYS A 79 6.274 -20.822 -30.298 1.00 40.33 N ATOM 1171 CA LYS A 79 6.342 -19.531 -29.624 1.00 1.31 C ATOM 1172 C LYS A 79 4.992 -19.162 -29.016 1.00 63.53 C ATOM 1173 O LYS A 79 3.965 -19.745 -29.364 1.00 3.41 O ATOM 1174 CB LYS A 79 6.786 -18.443 -30.604 1.00 52.34 C ATOM 1175 CG LYS A 79 8.031 -18.807 -31.394 1.00 3.41 C ATOM 1176 CD LYS A 79 7.683 -19.535 -32.681 1.00 33.42 C ATOM 1177 CE LYS A 79 8.731 -19.298 -33.757 1.00 71.22 C ATOM 1178 NZ LYS A 79 8.355 -19.938 -35.048 1.00 53.23 N ATOM 0 H LYS A 79 5.528 -20.897 -30.990 1.00 40.33 H new ATOM 0 HA LYS A 79 7.074 -19.608 -28.820 1.00 1.31 H new ATOM 0 HB2 LYS A 79 5.972 -18.238 -31.299 1.00 52.34 H new ATOM 0 HB3 LYS A 79 6.973 -17.522 -30.051 1.00 52.34 H new ATOM 0 HG2 LYS A 79 8.592 -17.902 -31.627 1.00 3.41 H new ATOM 0 HG3 LYS A 79 8.679 -19.436 -30.783 1.00 3.41 H new ATOM 0 HD2 LYS A 79 7.598 -20.604 -32.484 1.00 33.42 H new ATOM 0 HD3 LYS A 79 6.710 -19.198 -33.039 1.00 33.42 H new ATOM 0 HE2 LYS A 79 8.861 -18.226 -33.907 1.00 71.22 H new ATOM 0 HE3 LYS A 79 9.691 -19.692 -33.422 1.00 71.22 H new ATOM 0 HZ1 LYS A 79 9.095 -19.753 -35.755 1.00 53.23 H new ATOM 0 HZ2 LYS A 79 8.255 -20.964 -34.911 1.00 53.23 H new ATOM 0 HZ3 LYS A 79 7.452 -19.544 -35.381 1.00 53.23 H new ATOM 1192 N MET A 80 5.002 -18.192 -28.108 1.00 42.15 N ATOM 1193 CA MET A 80 3.778 -17.746 -27.454 1.00 53.41 C ATOM 1194 C MET A 80 3.933 -16.325 -26.921 1.00 52.23 C ATOM 1195 O MET A 80 4.941 -15.992 -26.299 1.00 62.12 O ATOM 1196 CB MET A 80 3.410 -18.694 -26.311 1.00 70.04 C ATOM 1197 CG MET A 80 2.054 -18.400 -25.691 1.00 32.54 C ATOM 1198 SD MET A 80 1.580 -19.619 -24.448 1.00 43.44 S ATOM 1199 CE MET A 80 2.648 -19.149 -23.089 1.00 51.42 C ATOM 0 H MET A 80 5.844 -17.700 -27.809 1.00 42.15 H new ATOM 0 HA MET A 80 2.978 -17.753 -28.194 1.00 53.41 H new ATOM 0 HB2 MET A 80 3.416 -19.718 -26.683 1.00 70.04 H new ATOM 0 HB3 MET A 80 4.175 -18.632 -25.537 1.00 70.04 H new ATOM 0 HG2 MET A 80 2.074 -17.410 -25.235 1.00 32.54 H new ATOM 0 HG3 MET A 80 1.298 -18.374 -26.476 1.00 32.54 H new ATOM 0 HE1 MET A 80 2.577 -19.894 -22.296 1.00 51.42 H new ATOM 0 HE2 MET A 80 3.678 -19.089 -23.440 1.00 51.42 H new ATOM 0 HE3 MET A 80 2.339 -18.178 -22.703 1.00 51.42 H new ATOM 1209 N MET A 81 2.928 -15.491 -27.170 1.00 31.31 N ATOM 1210 CA MET A 81 2.954 -14.106 -26.714 1.00 72.22 C ATOM 1211 C MET A 81 2.421 -13.993 -25.290 1.00 12.45 C ATOM 1212 O MET A 81 1.288 -14.385 -25.007 1.00 11.24 O ATOM 1213 CB MET A 81 2.129 -13.223 -27.652 1.00 13.11 C ATOM 1214 CG MET A 81 1.928 -11.808 -27.134 1.00 31.02 C ATOM 1215 SD MET A 81 1.672 -10.613 -28.459 1.00 52.24 S ATOM 1216 CE MET A 81 -0.111 -10.668 -28.625 1.00 2.30 C ATOM 0 H MET A 81 2.086 -15.750 -27.685 1.00 31.31 H new ATOM 0 HA MET A 81 3.989 -13.765 -26.723 1.00 72.22 H new ATOM 0 HB2 MET A 81 2.622 -13.179 -28.623 1.00 13.11 H new ATOM 0 HB3 MET A 81 1.155 -13.685 -27.810 1.00 13.11 H new ATOM 0 HG2 MET A 81 1.069 -11.790 -26.463 1.00 31.02 H new ATOM 0 HG3 MET A 81 2.798 -11.513 -26.547 1.00 31.02 H new ATOM 0 HE1 MET A 81 -0.425 -9.979 -29.410 1.00 2.30 H new ATOM 0 HE2 MET A 81 -0.421 -11.680 -28.885 1.00 2.30 H new ATOM 0 HE3 MET A 81 -0.573 -10.378 -27.681 1.00 2.30 H new ATOM 1226 N LEU A 82 3.243 -13.454 -24.396 1.00 65.41 N ATOM 1227 CA LEU A 82 2.855 -13.290 -23.000 1.00 31.45 C ATOM 1228 C LEU A 82 2.807 -11.814 -22.617 1.00 63.53 C ATOM 1229 O LEU A 82 3.740 -11.061 -22.896 1.00 74.51 O ATOM 1230 CB LEU A 82 3.832 -14.034 -22.087 1.00 51.11 C ATOM 1231 CG LEU A 82 3.635 -15.547 -21.983 1.00 53.35 C ATOM 1232 CD1 LEU A 82 4.062 -16.230 -23.273 1.00 72.31 C ATOM 1233 CD2 LEU A 82 4.410 -16.106 -20.799 1.00 51.33 C ATOM 0 H LEU A 82 4.183 -13.123 -24.614 1.00 65.41 H new ATOM 0 HA LEU A 82 1.858 -13.711 -22.875 1.00 31.45 H new ATOM 0 HB2 LEU A 82 4.845 -13.843 -22.441 1.00 51.11 H new ATOM 0 HB3 LEU A 82 3.758 -13.609 -21.086 1.00 51.11 H new ATOM 0 HG LEU A 82 2.575 -15.746 -21.824 1.00 53.35 H new ATOM 0 HD11 LEU A 82 3.915 -17.306 -23.181 1.00 72.31 H new ATOM 0 HD12 LEU A 82 3.463 -15.851 -24.101 1.00 72.31 H new ATOM 0 HD13 LEU A 82 5.115 -16.023 -23.463 1.00 72.31 H new ATOM 0 HD21 LEU A 82 4.258 -17.184 -20.741 1.00 51.33 H new ATOM 0 HD22 LEU A 82 5.472 -15.896 -20.927 1.00 51.33 H new ATOM 0 HD23 LEU A 82 4.056 -15.639 -19.880 1.00 51.33 H new ATOM 1245 N GLU A 83 1.716 -11.409 -21.976 1.00 34.41 N ATOM 1246 CA GLU A 83 1.549 -10.024 -21.553 1.00 54.24 C ATOM 1247 C GLU A 83 2.251 -9.772 -20.222 1.00 64.44 C ATOM 1248 O GLU A 83 2.049 -10.504 -19.252 1.00 53.03 O ATOM 1249 CB GLU A 83 0.063 -9.680 -21.431 1.00 34.31 C ATOM 1250 CG GLU A 83 -0.559 -9.194 -22.729 1.00 42.04 C ATOM 1251 CD GLU A 83 -2.063 -9.028 -22.630 1.00 62.33 C ATOM 1252 OE1 GLU A 83 -2.682 -9.725 -21.799 1.00 73.24 O ATOM 1253 OE2 GLU A 83 -2.620 -8.203 -23.383 1.00 52.40 O ATOM 0 H GLU A 83 0.935 -12.020 -21.738 1.00 34.41 H new ATOM 0 HA GLU A 83 2.002 -9.384 -22.310 1.00 54.24 H new ATOM 0 HB2 GLU A 83 -0.478 -10.561 -21.087 1.00 34.31 H new ATOM 0 HB3 GLU A 83 -0.062 -8.911 -20.668 1.00 34.31 H new ATOM 0 HG2 GLU A 83 -0.110 -8.241 -23.008 1.00 42.04 H new ATOM 0 HG3 GLU A 83 -0.327 -9.901 -23.526 1.00 42.04 H new ATOM 1260 N LEU A 84 3.079 -8.734 -20.184 1.00 14.30 N ATOM 1261 CA LEU A 84 3.813 -8.385 -18.973 1.00 2.02 C ATOM 1262 C LEU A 84 3.594 -6.921 -18.606 1.00 2.33 C ATOM 1263 O LEU A 84 3.477 -6.062 -19.480 1.00 63.01 O ATOM 1264 CB LEU A 84 5.306 -8.657 -19.162 1.00 64.32 C ATOM 1265 CG LEU A 84 5.786 -10.060 -18.788 1.00 34.33 C ATOM 1266 CD1 LEU A 84 5.149 -11.102 -19.695 1.00 13.33 C ATOM 1267 CD2 LEU A 84 7.303 -10.143 -18.861 1.00 43.14 C ATOM 0 H LEU A 84 3.259 -8.119 -20.978 1.00 14.30 H new ATOM 0 HA LEU A 84 3.437 -9.005 -18.159 1.00 2.02 H new ATOM 0 HB2 LEU A 84 5.559 -8.475 -20.207 1.00 64.32 H new ATOM 0 HB3 LEU A 84 5.865 -7.933 -18.568 1.00 64.32 H new ATOM 0 HG LEU A 84 5.480 -10.265 -17.762 1.00 34.33 H new ATOM 0 HD11 LEU A 84 5.502 -12.094 -19.414 1.00 13.33 H new ATOM 0 HD12 LEU A 84 4.065 -11.060 -19.592 1.00 13.33 H new ATOM 0 HD13 LEU A 84 5.423 -10.899 -20.730 1.00 13.33 H new ATOM 0 HD21 LEU A 84 7.626 -11.149 -18.592 1.00 43.14 H new ATOM 0 HD22 LEU A 84 7.631 -9.916 -19.875 1.00 43.14 H new ATOM 0 HD23 LEU A 84 7.740 -9.424 -18.169 1.00 43.14 H new ATOM 1279 N ASP A 85 3.542 -6.643 -17.308 1.00 31.23 N ATOM 1280 CA ASP A 85 3.340 -5.282 -16.824 1.00 72.34 C ATOM 1281 C ASP A 85 4.147 -5.031 -15.554 1.00 72.23 C ATOM 1282 O ASP A 85 3.605 -4.942 -14.453 1.00 33.05 O ATOM 1283 CB ASP A 85 1.855 -5.028 -16.559 1.00 2.22 C ATOM 1284 CG ASP A 85 1.501 -3.555 -16.617 1.00 52.14 C ATOM 1285 OD1 ASP A 85 2.424 -2.728 -16.770 1.00 40.33 O ATOM 1286 OD2 ASP A 85 0.300 -3.229 -16.511 1.00 60.53 O ATOM 0 H ASP A 85 3.637 -7.342 -16.572 1.00 31.23 H new ATOM 0 HA ASP A 85 3.687 -4.593 -17.594 1.00 72.34 H new ATOM 0 HB2 ASP A 85 1.260 -5.571 -17.293 1.00 2.22 H new ATOM 0 HB3 ASP A 85 1.591 -5.424 -15.578 1.00 2.22 H new ATOM 1291 N PRO A 86 5.474 -4.915 -15.709 1.00 60.34 N ATOM 1292 CA PRO A 86 6.384 -4.675 -14.586 1.00 23.03 C ATOM 1293 C PRO A 86 6.231 -3.273 -14.005 1.00 61.41 C ATOM 1294 O PRO A 86 5.595 -2.398 -14.592 1.00 75.33 O ATOM 1295 CB PRO A 86 7.771 -4.847 -15.210 1.00 4.40 C ATOM 1296 CG PRO A 86 7.577 -4.542 -16.655 1.00 53.32 C ATOM 1297 CD PRO A 86 6.188 -5.009 -16.994 1.00 23.43 C ATOM 0 HA PRO A 86 6.190 -5.350 -13.753 1.00 23.03 H new ATOM 0 HB2 PRO A 86 8.496 -4.171 -14.757 1.00 4.40 H new ATOM 0 HB3 PRO A 86 8.147 -5.860 -15.066 1.00 4.40 H new ATOM 0 HG2 PRO A 86 7.688 -3.475 -16.847 1.00 53.32 H new ATOM 0 HG3 PRO A 86 8.321 -5.054 -17.265 1.00 53.32 H new ATOM 0 HD2 PRO A 86 5.728 -4.381 -17.757 1.00 23.43 H new ATOM 0 HD3 PRO A 86 6.190 -6.029 -17.379 1.00 23.43 H new ATOM 1305 N PRO A 87 6.828 -3.053 -12.824 1.00 40.44 N ATOM 1306 CA PRO A 87 6.773 -1.758 -12.139 1.00 53.23 C ATOM 1307 C PRO A 87 7.582 -0.685 -12.860 1.00 64.51 C ATOM 1308 O PRO A 87 8.052 -0.895 -13.979 1.00 12.11 O ATOM 1309 CB PRO A 87 7.382 -2.056 -10.767 1.00 62.22 C ATOM 1310 CG PRO A 87 8.267 -3.233 -10.994 1.00 2.03 C ATOM 1311 CD PRO A 87 7.603 -4.050 -12.068 1.00 4.24 C ATOM 0 HA PRO A 87 5.758 -1.364 -12.093 1.00 53.23 H new ATOM 0 HB2 PRO A 87 7.946 -1.203 -10.390 1.00 62.22 H new ATOM 0 HB3 PRO A 87 6.610 -2.277 -10.030 1.00 62.22 H new ATOM 0 HG2 PRO A 87 9.264 -2.918 -11.303 1.00 2.03 H new ATOM 0 HG3 PRO A 87 8.386 -3.814 -10.079 1.00 2.03 H new ATOM 0 HD2 PRO A 87 8.334 -4.554 -12.700 1.00 4.24 H new ATOM 0 HD3 PRO A 87 6.960 -4.823 -11.646 1.00 4.24 H new ATOM 1319 N PHE A 88 7.743 0.464 -12.212 1.00 61.41 N ATOM 1320 CA PHE A 88 8.497 1.569 -12.791 1.00 43.05 C ATOM 1321 C PHE A 88 9.880 1.107 -13.241 1.00 42.14 C ATOM 1322 O PHE A 88 10.549 0.344 -12.545 1.00 51.24 O ATOM 1323 CB PHE A 88 8.632 2.708 -11.779 1.00 41.31 C ATOM 1324 CG PHE A 88 9.418 2.333 -10.555 1.00 73.12 C ATOM 1325 CD1 PHE A 88 8.811 1.664 -9.505 1.00 31.15 C ATOM 1326 CD2 PHE A 88 10.763 2.650 -10.455 1.00 71.52 C ATOM 1327 CE1 PHE A 88 9.531 1.317 -8.377 1.00 30.50 C ATOM 1328 CE2 PHE A 88 11.488 2.304 -9.330 1.00 41.44 C ATOM 1329 CZ PHE A 88 10.871 1.638 -8.290 1.00 2.35 C ATOM 0 H PHE A 88 7.361 0.654 -11.285 1.00 61.41 H new ATOM 0 HA PHE A 88 7.952 1.930 -13.663 1.00 43.05 H new ATOM 0 HB2 PHE A 88 9.112 3.558 -12.263 1.00 41.31 H new ATOM 0 HB3 PHE A 88 7.637 3.034 -11.476 1.00 41.31 H new ATOM 0 HD1 PHE A 88 7.763 1.411 -9.568 1.00 31.15 H new ATOM 0 HD2 PHE A 88 11.250 3.173 -11.265 1.00 71.52 H new ATOM 0 HE1 PHE A 88 9.046 0.796 -7.565 1.00 30.50 H new ATOM 0 HE2 PHE A 88 12.537 2.555 -9.265 1.00 41.44 H new ATOM 0 HZ PHE A 88 11.436 1.368 -7.410 1.00 2.35 H new ATOM 1339 N GLY A 89 10.302 1.576 -14.412 1.00 65.40 N ATOM 1340 CA GLY A 89 11.603 1.200 -14.936 1.00 74.11 C ATOM 1341 C GLY A 89 11.780 -0.303 -15.023 1.00 4.11 C ATOM 1342 O GLY A 89 12.247 -0.935 -14.075 1.00 75.41 O ATOM 0 H GLY A 89 9.767 2.209 -15.007 1.00 65.40 H new ATOM 0 HA2 GLY A 89 11.732 1.636 -15.927 1.00 74.11 H new ATOM 0 HA3 GLY A 89 12.383 1.618 -14.299 1.00 74.11 H new ATOM 1346 N ASP A 90 11.407 -0.876 -16.162 1.00 21.34 N ATOM 1347 CA ASP A 90 11.528 -2.315 -16.369 1.00 12.22 C ATOM 1348 C ASP A 90 12.941 -2.793 -16.050 1.00 32.13 C ATOM 1349 O ASP A 90 13.860 -1.988 -15.899 1.00 31.43 O ATOM 1350 CB ASP A 90 11.167 -2.676 -17.811 1.00 1.14 C ATOM 1351 CG ASP A 90 9.911 -1.973 -18.287 1.00 1.13 C ATOM 1352 OD1 ASP A 90 9.823 -1.669 -19.495 1.00 14.01 O ATOM 1353 OD2 ASP A 90 9.016 -1.727 -17.451 1.00 63.42 O ATOM 0 H ASP A 90 11.019 -0.367 -16.956 1.00 21.34 H new ATOM 0 HA ASP A 90 10.834 -2.814 -15.693 1.00 12.22 H new ATOM 0 HB2 ASP A 90 11.997 -2.414 -18.467 1.00 1.14 H new ATOM 0 HB3 ASP A 90 11.028 -3.754 -17.889 1.00 1.14 H new ATOM 1358 N SER A 91 13.106 -4.108 -15.947 1.00 60.05 N ATOM 1359 CA SER A 91 14.406 -4.694 -15.641 1.00 51.44 C ATOM 1360 C SER A 91 14.844 -5.652 -16.745 1.00 55.10 C ATOM 1361 O SER A 91 14.143 -5.830 -17.742 1.00 10.12 O ATOM 1362 CB SER A 91 14.354 -5.430 -14.302 1.00 24.25 C ATOM 1363 OG SER A 91 14.532 -4.533 -13.219 1.00 70.01 O ATOM 0 H SER A 91 12.356 -4.788 -16.071 1.00 60.05 H new ATOM 0 HA SER A 91 15.135 -3.886 -15.575 1.00 51.44 H new ATOM 0 HB2 SER A 91 13.396 -5.941 -14.201 1.00 24.25 H new ATOM 0 HB3 SER A 91 15.129 -6.196 -14.274 1.00 24.25 H new ATOM 0 HG SER A 91 13.688 -4.438 -12.730 1.00 70.01 H new ATOM 1369 N TYR A 92 16.006 -6.266 -16.559 1.00 64.23 N ATOM 1370 CA TYR A 92 16.540 -7.206 -17.539 1.00 14.42 C ATOM 1371 C TYR A 92 15.697 -8.477 -17.589 1.00 42.44 C ATOM 1372 O TYR A 92 15.639 -9.235 -16.621 1.00 2.10 O ATOM 1373 CB TYR A 92 17.991 -7.555 -17.204 1.00 74.20 C ATOM 1374 CG TYR A 92 18.960 -6.423 -17.459 1.00 23.35 C ATOM 1375 CD1 TYR A 92 19.376 -5.593 -16.425 1.00 21.23 C ATOM 1376 CD2 TYR A 92 19.460 -6.183 -18.733 1.00 31.35 C ATOM 1377 CE1 TYR A 92 20.261 -4.557 -16.653 1.00 24.35 C ATOM 1378 CE2 TYR A 92 20.347 -5.151 -18.969 1.00 54.13 C ATOM 1379 CZ TYR A 92 20.744 -4.341 -17.926 1.00 42.43 C ATOM 1380 OH TYR A 92 21.626 -3.310 -18.158 1.00 62.23 O ATOM 0 H TYR A 92 16.597 -6.130 -15.739 1.00 64.23 H new ATOM 0 HA TYR A 92 16.505 -6.730 -18.519 1.00 14.42 H new ATOM 0 HB2 TYR A 92 18.053 -7.846 -16.155 1.00 74.20 H new ATOM 0 HB3 TYR A 92 18.293 -8.421 -17.794 1.00 74.20 H new ATOM 0 HD1 TYR A 92 19.001 -5.761 -15.426 1.00 21.23 H new ATOM 0 HD2 TYR A 92 19.150 -6.814 -19.553 1.00 31.35 H new ATOM 0 HE1 TYR A 92 20.573 -3.920 -15.839 1.00 24.35 H new ATOM 0 HE2 TYR A 92 20.728 -4.979 -19.965 1.00 54.13 H new ATOM 0 HH TYR A 92 21.870 -3.296 -19.107 1.00 62.23 H new ATOM 1390 N ILE A 93 15.046 -8.702 -18.726 1.00 24.24 N ATOM 1391 CA ILE A 93 14.209 -9.882 -18.905 1.00 2.14 C ATOM 1392 C ILE A 93 15.057 -11.128 -19.137 1.00 4.33 C ATOM 1393 O ILE A 93 16.000 -11.112 -19.929 1.00 14.12 O ATOM 1394 CB ILE A 93 13.238 -9.709 -20.087 1.00 14.51 C ATOM 1395 CG1 ILE A 93 12.339 -8.491 -19.862 1.00 51.34 C ATOM 1396 CG2 ILE A 93 12.400 -10.965 -20.272 1.00 52.25 C ATOM 1397 CD1 ILE A 93 11.725 -7.950 -21.135 1.00 2.22 C ATOM 0 H ILE A 93 15.082 -8.083 -19.536 1.00 24.24 H new ATOM 0 HA ILE A 93 13.634 -10.003 -17.987 1.00 2.14 H new ATOM 0 HB ILE A 93 13.819 -9.546 -20.995 1.00 14.51 H new ATOM 0 HG12 ILE A 93 11.542 -8.761 -19.170 1.00 51.34 H new ATOM 0 HG13 ILE A 93 12.922 -7.703 -19.385 1.00 51.34 H new ATOM 0 HG21 ILE A 93 11.718 -10.827 -21.111 1.00 52.25 H new ATOM 0 HG22 ILE A 93 13.055 -11.813 -20.472 1.00 52.25 H new ATOM 0 HG23 ILE A 93 11.825 -11.156 -19.366 1.00 52.25 H new ATOM 0 HD11 ILE A 93 11.101 -7.088 -20.900 1.00 2.22 H new ATOM 0 HD12 ILE A 93 12.516 -7.649 -21.821 1.00 2.22 H new ATOM 0 HD13 ILE A 93 11.115 -8.723 -21.602 1.00 2.22 H new ATOM 1409 N VAL A 94 14.715 -12.208 -18.441 1.00 42.24 N ATOM 1410 CA VAL A 94 15.443 -13.464 -18.574 1.00 20.35 C ATOM 1411 C VAL A 94 14.489 -14.653 -18.593 1.00 15.14 C ATOM 1412 O VAL A 94 13.416 -14.610 -17.990 1.00 13.14 O ATOM 1413 CB VAL A 94 16.454 -13.650 -17.427 1.00 23.42 C ATOM 1414 CG1 VAL A 94 17.334 -14.865 -17.682 1.00 51.21 C ATOM 1415 CG2 VAL A 94 17.299 -12.397 -17.253 1.00 71.12 C ATOM 0 H VAL A 94 13.939 -12.238 -17.780 1.00 42.24 H new ATOM 0 HA VAL A 94 15.982 -13.419 -19.520 1.00 20.35 H new ATOM 0 HB VAL A 94 15.901 -13.819 -16.503 1.00 23.42 H new ATOM 0 HG11 VAL A 94 18.042 -14.980 -16.861 1.00 51.21 H new ATOM 0 HG12 VAL A 94 16.711 -15.757 -17.752 1.00 51.21 H new ATOM 0 HG13 VAL A 94 17.880 -14.729 -18.616 1.00 51.21 H new ATOM 0 HG21 VAL A 94 18.008 -12.546 -16.438 1.00 71.12 H new ATOM 0 HG22 VAL A 94 17.844 -12.194 -18.175 1.00 71.12 H new ATOM 0 HG23 VAL A 94 16.652 -11.551 -17.021 1.00 71.12 H new ATOM 1425 N ILE A 95 14.886 -15.713 -19.288 1.00 41.22 N ATOM 1426 CA ILE A 95 14.066 -16.914 -19.385 1.00 23.14 C ATOM 1427 C ILE A 95 14.865 -18.157 -19.007 1.00 44.22 C ATOM 1428 O ILE A 95 15.845 -18.501 -19.666 1.00 63.44 O ATOM 1429 CB ILE A 95 13.497 -17.095 -20.804 1.00 43.13 C ATOM 1430 CG1 ILE A 95 12.646 -15.885 -21.194 1.00 13.11 C ATOM 1431 CG2 ILE A 95 12.679 -18.375 -20.888 1.00 13.42 C ATOM 1432 CD1 ILE A 95 11.409 -15.716 -20.340 1.00 31.24 C ATOM 0 H ILE A 95 15.771 -15.765 -19.793 1.00 41.22 H new ATOM 0 HA ILE A 95 13.240 -16.789 -18.685 1.00 23.14 H new ATOM 0 HB ILE A 95 14.328 -17.172 -21.505 1.00 43.13 H new ATOM 0 HG12 ILE A 95 13.255 -14.984 -21.120 1.00 13.11 H new ATOM 0 HG13 ILE A 95 12.347 -15.983 -22.238 1.00 13.11 H new ATOM 0 HG21 ILE A 95 12.284 -18.489 -21.897 1.00 13.42 H new ATOM 0 HG22 ILE A 95 13.313 -19.229 -20.649 1.00 13.42 H new ATOM 0 HG23 ILE A 95 11.853 -18.326 -20.178 1.00 13.42 H new ATOM 0 HD11 ILE A 95 10.854 -14.839 -20.673 1.00 31.24 H new ATOM 0 HD12 ILE A 95 10.779 -16.601 -20.433 1.00 31.24 H new ATOM 0 HD13 ILE A 95 11.701 -15.586 -19.298 1.00 31.24 H new ATOM 1444 N GLY A 96 14.438 -18.828 -17.942 1.00 3.44 N ATOM 1445 CA GLY A 96 15.124 -20.026 -17.496 1.00 21.33 C ATOM 1446 C GLY A 96 16.590 -19.780 -17.201 1.00 3.32 C ATOM 1447 O GLY A 96 17.092 -18.672 -17.391 1.00 54.53 O ATOM 0 H GLY A 96 13.629 -18.563 -17.380 1.00 3.44 H new ATOM 0 HA2 GLY A 96 14.636 -20.408 -16.600 1.00 21.33 H new ATOM 0 HA3 GLY A 96 15.035 -20.798 -18.261 1.00 21.33 H new ATOM 1451 N VAL A 97 17.281 -20.815 -16.733 1.00 15.24 N ATOM 1452 CA VAL A 97 18.698 -20.705 -16.410 1.00 63.54 C ATOM 1453 C VAL A 97 19.522 -21.709 -17.209 1.00 43.03 C ATOM 1454 O VAL A 97 18.997 -22.704 -17.706 1.00 73.03 O ATOM 1455 CB VAL A 97 18.951 -20.930 -14.908 1.00 24.41 C ATOM 1456 CG1 VAL A 97 20.333 -20.427 -14.518 1.00 15.54 C ATOM 1457 CG2 VAL A 97 17.873 -20.250 -14.079 1.00 34.34 C ATOM 0 H VAL A 97 16.882 -21.739 -16.569 1.00 15.24 H new ATOM 0 HA VAL A 97 19.006 -19.693 -16.674 1.00 63.54 H new ATOM 0 HB VAL A 97 18.910 -22.000 -14.706 1.00 24.41 H new ATOM 0 HG11 VAL A 97 20.494 -20.594 -13.453 1.00 15.54 H new ATOM 0 HG12 VAL A 97 21.090 -20.965 -15.088 1.00 15.54 H new ATOM 0 HG13 VAL A 97 20.406 -19.361 -14.733 1.00 15.54 H new ATOM 0 HG21 VAL A 97 18.067 -20.419 -13.020 1.00 34.34 H new ATOM 0 HG22 VAL A 97 17.879 -19.179 -14.282 1.00 34.34 H new ATOM 0 HG23 VAL A 97 16.899 -20.663 -14.340 1.00 34.34 H new ATOM 1467 N GLY A 98 20.819 -21.440 -17.328 1.00 62.34 N ATOM 1468 CA GLY A 98 21.696 -22.329 -18.069 1.00 12.23 C ATOM 1469 C GLY A 98 22.890 -21.606 -18.658 1.00 44.34 C ATOM 1470 O GLY A 98 23.156 -20.454 -18.318 1.00 4.35 O ATOM 0 H GLY A 98 21.278 -20.623 -16.925 1.00 62.34 H new ATOM 0 HA2 GLY A 98 22.045 -23.123 -17.409 1.00 12.23 H new ATOM 0 HA3 GLY A 98 21.132 -22.806 -18.871 1.00 12.23 H new ATOM 1474 N GLU A 99 23.613 -22.284 -19.544 1.00 72.35 N ATOM 1475 CA GLU A 99 24.786 -21.698 -20.181 1.00 65.43 C ATOM 1476 C GLU A 99 24.383 -20.815 -21.359 1.00 32.44 C ATOM 1477 O GLU A 99 25.003 -19.783 -21.617 1.00 35.31 O ATOM 1478 CB GLU A 99 25.738 -22.798 -20.657 1.00 42.02 C ATOM 1479 CG GLU A 99 25.122 -23.734 -21.683 1.00 21.40 C ATOM 1480 CD GLU A 99 26.060 -24.856 -22.087 1.00 13.34 C ATOM 1481 OE1 GLU A 99 27.286 -24.696 -21.909 1.00 34.24 O ATOM 1482 OE2 GLU A 99 25.568 -25.892 -22.580 1.00 43.14 O ATOM 0 H GLU A 99 23.407 -23.239 -19.837 1.00 72.35 H new ATOM 0 HA GLU A 99 25.296 -21.079 -19.443 1.00 65.43 H new ATOM 0 HB2 GLU A 99 26.627 -22.336 -21.086 1.00 42.02 H new ATOM 0 HB3 GLU A 99 26.065 -23.381 -19.796 1.00 42.02 H new ATOM 0 HG2 GLU A 99 24.205 -24.161 -21.276 1.00 21.40 H new ATOM 0 HG3 GLU A 99 24.842 -23.163 -22.568 1.00 21.40 H new ATOM 1489 N LYS A 100 23.340 -21.229 -22.070 1.00 53.22 N ATOM 1490 CA LYS A 100 22.851 -20.477 -23.220 1.00 64.54 C ATOM 1491 C LYS A 100 21.704 -19.555 -22.821 1.00 4.24 C ATOM 1492 O LYS A 100 20.777 -19.327 -23.598 1.00 21.11 O ATOM 1493 CB LYS A 100 22.390 -21.434 -24.322 1.00 61.31 C ATOM 1494 CG LYS A 100 23.532 -22.145 -25.028 1.00 11.10 C ATOM 1495 CD LYS A 100 23.366 -22.103 -26.538 1.00 3.12 C ATOM 1496 CE LYS A 100 24.027 -20.871 -27.137 1.00 14.41 C ATOM 1497 NZ LYS A 100 23.426 -20.502 -28.449 1.00 1.13 N ATOM 0 H LYS A 100 22.817 -22.081 -21.870 1.00 53.22 H new ATOM 0 HA LYS A 100 23.671 -19.865 -23.597 1.00 64.54 H new ATOM 0 HB2 LYS A 100 21.722 -22.179 -23.889 1.00 61.31 H new ATOM 0 HB3 LYS A 100 21.811 -20.876 -25.057 1.00 61.31 H new ATOM 0 HG2 LYS A 100 24.478 -21.679 -24.752 1.00 11.10 H new ATOM 0 HG3 LYS A 100 23.578 -23.182 -24.695 1.00 11.10 H new ATOM 0 HD2 LYS A 100 23.800 -23.001 -26.978 1.00 3.12 H new ATOM 0 HD3 LYS A 100 22.305 -22.106 -26.789 1.00 3.12 H new ATOM 0 HE2 LYS A 100 23.930 -20.034 -26.445 1.00 14.41 H new ATOM 0 HE3 LYS A 100 25.093 -21.057 -27.265 1.00 14.41 H new ATOM 0 HZ1 LYS A 100 23.904 -19.658 -28.824 1.00 1.13 H new ATOM 0 HZ2 LYS A 100 23.540 -21.291 -29.117 1.00 1.13 H new ATOM 0 HZ3 LYS A 100 22.414 -20.300 -28.323 1.00 1.13 H new ATOM 1511 N LYS A 101 21.774 -19.025 -21.604 1.00 50.22 N ATOM 1512 CA LYS A 101 20.743 -18.125 -21.101 1.00 71.00 C ATOM 1513 C LYS A 101 20.481 -16.992 -22.088 1.00 13.11 C ATOM 1514 O LYS A 101 21.237 -16.799 -23.040 1.00 50.33 O ATOM 1515 CB LYS A 101 21.157 -17.549 -19.745 1.00 42.01 C ATOM 1516 CG LYS A 101 20.744 -18.412 -18.566 1.00 32.14 C ATOM 1517 CD LYS A 101 21.352 -17.910 -17.267 1.00 11.21 C ATOM 1518 CE LYS A 101 20.537 -16.771 -16.674 1.00 0.51 C ATOM 1519 NZ LYS A 101 19.190 -17.224 -16.230 1.00 70.41 N ATOM 0 H LYS A 101 22.534 -19.203 -20.948 1.00 50.22 H new ATOM 0 HA LYS A 101 19.824 -18.698 -20.980 1.00 71.00 H new ATOM 0 HB2 LYS A 101 22.239 -17.421 -19.729 1.00 42.01 H new ATOM 0 HB3 LYS A 101 20.717 -16.558 -19.631 1.00 42.01 H new ATOM 0 HG2 LYS A 101 19.657 -18.418 -18.482 1.00 32.14 H new ATOM 0 HG3 LYS A 101 21.056 -19.442 -18.741 1.00 32.14 H new ATOM 0 HD2 LYS A 101 21.409 -18.729 -16.550 1.00 11.21 H new ATOM 0 HD3 LYS A 101 22.373 -17.573 -17.448 1.00 11.21 H new ATOM 0 HE2 LYS A 101 21.074 -16.343 -15.827 1.00 0.51 H new ATOM 0 HE3 LYS A 101 20.428 -15.979 -17.415 1.00 0.51 H new ATOM 0 HZ1 LYS A 101 18.719 -16.456 -15.711 1.00 70.41 H new ATOM 0 HZ2 LYS A 101 18.619 -17.482 -17.060 1.00 70.41 H new ATOM 0 HZ3 LYS A 101 19.290 -18.051 -15.608 1.00 70.41 H new ATOM 1533 N ILE A 102 19.407 -16.246 -21.853 1.00 52.32 N ATOM 1534 CA ILE A 102 19.048 -15.130 -22.720 1.00 70.10 C ATOM 1535 C ILE A 102 18.713 -13.886 -21.905 1.00 13.05 C ATOM 1536 O ILE A 102 18.052 -13.968 -20.868 1.00 43.12 O ATOM 1537 CB ILE A 102 17.848 -15.479 -23.620 1.00 34.55 C ATOM 1538 CG1 ILE A 102 16.601 -15.732 -22.769 1.00 3.14 C ATOM 1539 CG2 ILE A 102 18.165 -16.695 -24.478 1.00 31.04 C ATOM 1540 CD1 ILE A 102 15.371 -16.066 -23.583 1.00 41.01 C ATOM 0 H ILE A 102 18.770 -16.394 -21.070 1.00 52.32 H new ATOM 0 HA ILE A 102 19.916 -14.927 -23.348 1.00 70.10 H new ATOM 0 HB ILE A 102 17.650 -14.634 -24.280 1.00 34.55 H new ATOM 0 HG12 ILE A 102 16.803 -16.551 -22.078 1.00 3.14 H new ATOM 0 HG13 ILE A 102 16.398 -14.848 -22.165 1.00 3.14 H new ATOM 0 HG21 ILE A 102 17.307 -16.929 -25.108 1.00 31.04 H new ATOM 0 HG22 ILE A 102 19.030 -16.481 -25.106 1.00 31.04 H new ATOM 0 HG23 ILE A 102 18.386 -17.547 -23.835 1.00 31.04 H new ATOM 0 HD11 ILE A 102 14.526 -16.233 -22.914 1.00 41.01 H new ATOM 0 HD12 ILE A 102 15.144 -15.239 -24.255 1.00 41.01 H new ATOM 0 HD13 ILE A 102 15.555 -16.968 -24.167 1.00 41.01 H new ATOM 1552 N THR A 103 19.171 -12.732 -22.380 1.00 72.00 N ATOM 1553 CA THR A 103 18.917 -11.470 -21.697 1.00 45.43 C ATOM 1554 C THR A 103 18.634 -10.352 -22.695 1.00 33.42 C ATOM 1555 O THR A 103 19.086 -10.399 -23.839 1.00 55.25 O ATOM 1556 CB THR A 103 20.110 -11.061 -20.811 1.00 55.15 C ATOM 1557 OG1 THR A 103 21.334 -11.519 -21.396 1.00 50.51 O ATOM 1558 CG2 THR A 103 19.965 -11.636 -19.410 1.00 53.35 C ATOM 0 H THR A 103 19.720 -12.646 -23.235 1.00 72.00 H new ATOM 0 HA THR A 103 18.041 -11.622 -21.067 1.00 45.43 H new ATOM 0 HB THR A 103 20.126 -9.973 -20.740 1.00 55.15 H new ATOM 0 HG1 THR A 103 22.087 -11.254 -20.828 1.00 50.51 H new ATOM 0 HG21 THR A 103 20.818 -11.334 -18.803 1.00 53.35 H new ATOM 0 HG22 THR A 103 19.047 -11.262 -18.957 1.00 53.35 H new ATOM 0 HG23 THR A 103 19.926 -12.724 -19.465 1.00 53.35 H new ATOM 1566 N HIS A 104 17.883 -9.348 -22.254 1.00 2.13 N ATOM 1567 CA HIS A 104 17.540 -8.217 -23.109 1.00 34.32 C ATOM 1568 C HIS A 104 17.318 -6.956 -22.279 1.00 62.13 C ATOM 1569 O HIS A 104 16.383 -6.881 -21.482 1.00 33.51 O ATOM 1570 CB HIS A 104 16.286 -8.531 -23.926 1.00 33.23 C ATOM 1571 CG HIS A 104 15.885 -7.427 -24.855 1.00 75.31 C ATOM 1572 ND1 HIS A 104 16.540 -7.165 -26.040 1.00 30.34 N ATOM 1573 CD2 HIS A 104 14.887 -6.517 -24.769 1.00 52.35 C ATOM 1574 CE1 HIS A 104 15.964 -6.140 -26.642 1.00 31.15 C ATOM 1575 NE2 HIS A 104 14.958 -5.728 -25.892 1.00 34.34 N ATOM 0 H HIS A 104 17.500 -9.294 -21.310 1.00 2.13 H new ATOM 0 HA HIS A 104 18.374 -8.041 -23.789 1.00 34.32 H new ATOM 0 HB2 HIS A 104 16.458 -9.438 -24.505 1.00 33.23 H new ATOM 0 HB3 HIS A 104 15.461 -8.739 -23.245 1.00 33.23 H new ATOM 0 HD2 HIS A 104 14.169 -6.428 -23.967 1.00 52.35 H new ATOM 0 HE1 HIS A 104 16.265 -5.712 -27.587 1.00 31.15 H new ATOM 0 HE2 HIS A 104 14.335 -4.951 -26.111 1.00 34.34 H new ATOM 1583 N HIS A 105 18.185 -5.967 -22.472 1.00 22.12 N ATOM 1584 CA HIS A 105 18.085 -4.709 -21.740 1.00 71.31 C ATOM 1585 C HIS A 105 16.692 -4.105 -21.887 1.00 13.10 C ATOM 1586 O HIS A 105 16.366 -3.516 -22.918 1.00 11.24 O ATOM 1587 CB HIS A 105 19.138 -3.719 -22.239 1.00 21.41 C ATOM 1588 CG HIS A 105 19.197 -3.609 -23.731 1.00 62.24 C ATOM 1589 ND1 HIS A 105 19.922 -4.476 -24.522 1.00 4.41 N ATOM 1590 CD2 HIS A 105 18.614 -2.728 -24.578 1.00 25.22 C ATOM 1591 CE1 HIS A 105 19.785 -4.131 -25.790 1.00 34.32 C ATOM 1592 NE2 HIS A 105 18.995 -3.074 -25.851 1.00 62.01 N ATOM 0 H HIS A 105 18.964 -6.012 -23.129 1.00 22.12 H new ATOM 0 HA HIS A 105 18.263 -4.916 -20.685 1.00 71.31 H new ATOM 0 HB2 HIS A 105 18.928 -2.736 -21.818 1.00 21.41 H new ATOM 0 HB3 HIS A 105 20.116 -4.023 -21.866 1.00 21.41 H new ATOM 0 HD2 HIS A 105 17.969 -1.906 -24.303 1.00 25.22 H new ATOM 0 HE1 HIS A 105 20.241 -4.628 -26.633 1.00 34.32 H new ATOM 0 HE2 HIS A 105 18.714 -2.593 -26.705 1.00 62.01 H new ATOM 1600 N TRP A 106 15.875 -4.256 -20.851 1.00 12.21 N ATOM 1601 CA TRP A 106 14.516 -3.726 -20.866 1.00 31.22 C ATOM 1602 C TRP A 106 14.270 -2.824 -19.662 1.00 0.13 C ATOM 1603 O TRP A 106 14.135 -3.300 -18.534 1.00 74.21 O ATOM 1604 CB TRP A 106 13.501 -4.870 -20.877 1.00 72.32 C ATOM 1605 CG TRP A 106 12.089 -4.410 -21.080 1.00 11.24 C ATOM 1606 CD1 TRP A 106 11.008 -4.716 -20.303 1.00 52.14 C ATOM 1607 CD2 TRP A 106 11.606 -3.562 -22.128 1.00 31.34 C ATOM 1608 NE1 TRP A 106 9.882 -4.110 -20.806 1.00 14.32 N ATOM 1609 CE2 TRP A 106 10.222 -3.396 -21.924 1.00 0.40 C ATOM 1610 CE3 TRP A 106 12.208 -2.926 -23.217 1.00 32.44 C ATOM 1611 CZ2 TRP A 106 9.434 -2.621 -22.770 1.00 55.25 C ATOM 1612 CZ3 TRP A 106 11.424 -2.158 -24.056 1.00 33.10 C ATOM 1613 CH2 TRP A 106 10.049 -2.010 -23.829 1.00 10.20 C ATOM 0 H TRP A 106 16.129 -4.741 -19.990 1.00 12.21 H new ATOM 0 HA TRP A 106 14.394 -3.132 -21.772 1.00 31.22 H new ATOM 0 HB2 TRP A 106 13.764 -5.572 -21.668 1.00 72.32 H new ATOM 0 HB3 TRP A 106 13.567 -5.413 -19.934 1.00 72.32 H new ATOM 0 HD1 TRP A 106 11.034 -5.342 -19.423 1.00 52.14 H new ATOM 0 HE1 TRP A 106 8.944 -4.181 -20.411 1.00 14.32 H new ATOM 0 HE3 TRP A 106 13.267 -3.033 -23.399 1.00 32.44 H new ATOM 0 HZ2 TRP A 106 8.374 -2.506 -22.597 1.00 55.25 H new ATOM 0 HZ3 TRP A 106 11.879 -1.663 -24.901 1.00 33.10 H new ATOM 0 HH2 TRP A 106 9.463 -1.402 -24.503 1.00 10.20 H new ATOM 1624 N HIS A 107 14.213 -1.519 -19.907 1.00 41.32 N ATOM 1625 CA HIS A 107 13.983 -0.550 -18.842 1.00 15.33 C ATOM 1626 C HIS A 107 13.258 0.682 -19.375 1.00 53.33 C ATOM 1627 O HIS A 107 13.479 1.101 -20.512 1.00 32.32 O ATOM 1628 CB HIS A 107 15.309 -0.138 -18.202 1.00 31.30 C ATOM 1629 CG HIS A 107 16.251 0.531 -19.155 1.00 22.24 C ATOM 1630 ND1 HIS A 107 16.102 1.838 -19.567 1.00 41.12 N ATOM 1631 CD2 HIS A 107 17.361 0.066 -19.775 1.00 1.32 C ATOM 1632 CE1 HIS A 107 17.078 2.148 -20.401 1.00 44.24 C ATOM 1633 NE2 HIS A 107 17.856 1.090 -20.544 1.00 5.41 N ATOM 0 H HIS A 107 14.323 -1.108 -20.834 1.00 41.32 H new ATOM 0 HA HIS A 107 13.355 -1.021 -18.086 1.00 15.33 H new ATOM 0 HB2 HIS A 107 15.107 0.536 -17.370 1.00 31.30 H new ATOM 0 HB3 HIS A 107 15.793 -1.022 -17.786 1.00 31.30 H new ATOM 0 HD2 HIS A 107 17.779 -0.925 -19.682 1.00 1.32 H new ATOM 0 HE1 HIS A 107 17.217 3.104 -20.884 1.00 44.24 H new ATOM 0 HE2 HIS A 107 18.689 1.042 -21.130 1.00 5.41 H new ATOM 1641 N ARG A 108 12.391 1.258 -18.548 1.00 24.21 N ATOM 1642 CA ARG A 108 11.633 2.441 -18.937 1.00 62.43 C ATOM 1643 C ARG A 108 12.446 3.710 -18.699 1.00 71.04 C ATOM 1644 O ARG A 108 13.055 3.880 -17.643 1.00 52.43 O ATOM 1645 CB ARG A 108 10.319 2.510 -18.157 1.00 61.12 C ATOM 1646 CG ARG A 108 9.214 3.253 -18.890 1.00 60.43 C ATOM 1647 CD ARG A 108 8.010 3.489 -17.991 1.00 64.14 C ATOM 1648 NE ARG A 108 6.881 4.052 -18.726 1.00 73.32 N ATOM 1649 CZ ARG A 108 5.738 4.413 -18.153 1.00 41.32 C ATOM 1650 NH1 ARG A 108 5.575 4.272 -16.845 1.00 51.01 N ATOM 1651 NH2 ARG A 108 4.756 4.918 -18.889 1.00 60.11 N ATOM 0 H ARG A 108 12.196 0.924 -17.604 1.00 24.21 H new ATOM 0 HA ARG A 108 11.412 2.366 -20.002 1.00 62.43 H new ATOM 0 HB2 ARG A 108 9.982 1.497 -17.940 1.00 61.12 H new ATOM 0 HB3 ARG A 108 10.500 2.998 -17.199 1.00 61.12 H new ATOM 0 HG2 ARG A 108 9.594 4.209 -19.250 1.00 60.43 H new ATOM 0 HG3 ARG A 108 8.909 2.681 -19.766 1.00 60.43 H new ATOM 0 HD2 ARG A 108 7.710 2.547 -17.532 1.00 64.14 H new ATOM 0 HD3 ARG A 108 8.289 4.164 -17.182 1.00 64.14 H new ATOM 0 HE ARG A 108 6.975 4.175 -19.734 1.00 73.32 H new ATOM 0 HH11 ARG A 108 6.328 3.886 -16.276 1.00 51.01 H new ATOM 0 HH12 ARG A 108 4.696 4.550 -16.408 1.00 51.01 H new ATOM 0 HH21 ARG A 108 4.878 5.029 -19.896 1.00 60.11 H new ATOM 0 HH22 ARG A 108 3.879 5.195 -18.448 1.00 60.11 H new