USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 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 87 ASN : amide:sc= 1.04 K(o=0.4,f=-4.6!) USER MOD Set 1.2: A 90 ASN : amide:sc= -0.638 K(o=0.4,f=-3.7!) USER MOD Set 2.1: A 82 GLN : amide:sc= 0.525 K(o=1.3,f=-3.1) USER MOD Set 2.2: A 85 GLN : amide:sc= 0.776 K(o=1.3,f=-2.5) USER MOD Set 3.1: A 69 THR OG1 : rot 180:sc= -0.0551 USER MOD Set 3.2: A 72 MET CE :methyl -122:sc= -0.214 (180deg=-0.317) USER MOD Set 4.1: A 36 GLN : amide:sc= -0.0089 K(o=-0.0089,f=-0.75) USER MOD Set 4.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.44 X(o=-0.44,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.733 K(o=0.73,f=-0.019) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.134 F(o=-1.1,f=0.13) USER MOD Single : A 56 GLN : amide:sc= 0.0961 X(o=0.096,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -168:sc=-0.00144 (180deg=-0.206) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= -0.459 (180deg=-0.836) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.017) USER MOD Single : A 68 THR OG1 : rot 105:sc= -0.0751 USER MOD Single : A 74 THR OG1 : rot -80:sc= 1.11 USER MOD Single : A 77 GLN : amide:sc= -0.506 K(o=-0.51,f=-1) USER MOD Single : A 80 TYR OH : rot 119:sc= 0.0258 USER MOD Single : A 84 GLN :FLIP amide:sc= -2.55! C(o=-3.5!,f=-2.5!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 162:sc=-0.00195 (180deg=-0.293) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00563) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -10.992 5.768 3.955 1.00 13.05 N ATOM 280 CA VAL A 21 -10.680 4.377 4.231 1.00 2.03 C ATOM 281 C VAL A 21 -9.358 4.042 3.506 1.00 33.44 C ATOM 282 O VAL A 21 -8.881 4.809 2.658 1.00 44.04 O ATOM 283 CB VAL A 21 -11.897 3.506 3.828 1.00 54.24 C ATOM 284 CG1 VAL A 21 -11.703 2.026 4.179 1.00 51.32 C ATOM 285 CG2 VAL A 21 -13.177 3.961 4.557 1.00 14.22 C ATOM 0 HA VAL A 21 -10.514 4.171 5.288 1.00 2.03 H new ATOM 0 HB VAL A 21 -11.988 3.627 2.749 1.00 54.24 H new ATOM 0 HG11 VAL A 21 -12.585 1.461 3.875 1.00 51.32 H new ATOM 0 HG12 VAL A 21 -10.827 1.640 3.657 1.00 51.32 H new ATOM 0 HG13 VAL A 21 -11.559 1.923 5.255 1.00 51.32 H new ATOM 0 HG21 VAL A 21 -14.013 3.330 4.253 1.00 14.22 H new ATOM 0 HG22 VAL A 21 -13.032 3.877 5.634 1.00 14.22 H new ATOM 0 HG23 VAL A 21 -13.393 4.998 4.300 1.00 14.22 H new ATOM 295 N LEU A 22 -8.721 2.936 3.903 1.00 64.35 N ATOM 296 CA LEU A 22 -7.441 2.470 3.370 1.00 25.12 C ATOM 297 C LEU A 22 -7.628 1.441 2.249 1.00 52.42 C ATOM 298 O LEU A 22 -8.718 0.871 2.120 1.00 71.53 O ATOM 299 CB LEU A 22 -6.636 1.819 4.512 1.00 3.23 C ATOM 300 CG LEU A 22 -6.047 2.835 5.507 1.00 33.42 C ATOM 301 CD1 LEU A 22 -5.556 2.118 6.774 1.00 71.35 C ATOM 302 CD2 LEU A 22 -4.859 3.616 4.939 1.00 32.24 C ATOM 0 H LEU A 22 -9.095 2.323 4.627 1.00 64.35 H new ATOM 0 HA LEU A 22 -6.914 3.329 2.955 1.00 25.12 H new ATOM 0 HB2 LEU A 22 -7.282 1.127 5.052 1.00 3.23 H new ATOM 0 HB3 LEU A 22 -5.825 1.230 4.084 1.00 3.23 H new ATOM 0 HG LEU A 22 -6.855 3.534 5.725 1.00 33.42 H new ATOM 0 HD11 LEU A 22 -5.142 2.849 7.468 1.00 71.35 H new ATOM 0 HD12 LEU A 22 -6.391 1.601 7.246 1.00 71.35 H new ATOM 0 HD13 LEU A 22 -4.786 1.394 6.507 1.00 71.35 H new ATOM 0 HD21 LEU A 22 -4.491 4.315 5.690 1.00 32.24 H new ATOM 0 HD22 LEU A 22 -4.063 2.922 4.668 1.00 32.24 H new ATOM 0 HD23 LEU A 22 -5.176 4.168 4.054 1.00 32.24 H new ATOM 313 N PRO A 23 -6.573 1.156 1.468 1.00 61.42 N ATOM 314 CA PRO A 23 -6.512 -0.020 0.604 1.00 23.00 C ATOM 315 C PRO A 23 -6.628 -1.343 1.389 1.00 31.34 C ATOM 316 O PRO A 23 -6.585 -1.347 2.627 1.00 31.50 O ATOM 317 CB PRO A 23 -5.179 0.095 -0.151 1.00 61.43 C ATOM 318 CG PRO A 23 -4.358 1.093 0.646 1.00 1.42 C ATOM 319 CD PRO A 23 -5.395 1.988 1.292 1.00 10.11 C ATOM 0 HA PRO A 23 -7.358 -0.045 -0.082 1.00 23.00 H new ATOM 0 HB2 PRO A 23 -4.676 -0.870 -0.212 1.00 61.43 H new ATOM 0 HB3 PRO A 23 -5.334 0.439 -1.174 1.00 61.43 H new ATOM 0 HG2 PRO A 23 -3.740 0.595 1.393 1.00 1.42 H new ATOM 0 HG3 PRO A 23 -3.686 1.661 0.003 1.00 1.42 H new ATOM 0 HD2 PRO A 23 -5.040 2.373 2.248 1.00 10.11 H new ATOM 0 HD3 PRO A 23 -5.615 2.851 0.663 1.00 10.11 H new ATOM 324 N PRO A 24 -6.804 -2.479 0.691 1.00 64.32 N ATOM 325 CA PRO A 24 -6.843 -3.811 1.287 1.00 31.41 C ATOM 326 C PRO A 24 -5.442 -4.309 1.667 1.00 50.33 C ATOM 327 O PRO A 24 -4.426 -3.818 1.172 1.00 23.31 O ATOM 328 CB PRO A 24 -7.478 -4.705 0.213 1.00 61.32 C ATOM 329 CG PRO A 24 -7.046 -4.040 -1.092 1.00 13.32 C ATOM 330 CD PRO A 24 -7.074 -2.560 -0.738 1.00 3.54 C ATOM 0 HA PRO A 24 -7.411 -3.817 2.217 1.00 31.41 H new ATOM 0 HB2 PRO A 24 -7.119 -5.732 0.280 1.00 61.32 H new ATOM 0 HB3 PRO A 24 -8.563 -4.740 0.308 1.00 61.32 H new ATOM 0 HG2 PRO A 24 -6.052 -4.364 -1.402 1.00 13.32 H new ATOM 0 HG3 PRO A 24 -7.727 -4.274 -1.910 1.00 13.32 H new ATOM 0 HD2 PRO A 24 -6.325 -2.009 -1.307 1.00 3.54 H new ATOM 0 HD3 PRO A 24 -8.043 -2.121 -0.977 1.00 3.54 H new ATOM 335 N THR A 25 -5.384 -5.335 2.502 1.00 24.21 N ATOM 336 CA THR A 25 -4.173 -5.931 3.063 1.00 74.35 C ATOM 337 C THR A 25 -4.342 -7.457 3.078 1.00 25.10 C ATOM 338 O THR A 25 -5.484 -7.925 3.106 1.00 70.52 O ATOM 339 CB THR A 25 -3.902 -5.320 4.464 1.00 64.52 C ATOM 340 OG1 THR A 25 -4.912 -4.424 4.901 1.00 73.31 O ATOM 341 CG2 THR A 25 -2.589 -4.548 4.531 1.00 21.31 C ATOM 0 H THR A 25 -6.229 -5.804 2.828 1.00 24.21 H new ATOM 0 HA THR A 25 -3.295 -5.710 2.456 1.00 74.35 H new ATOM 0 HB THR A 25 -3.872 -6.196 5.112 1.00 64.52 H new ATOM 0 HG1 THR A 25 -4.681 -4.078 5.788 1.00 73.31 H new ATOM 0 HG21 THR A 25 -2.455 -4.145 5.535 1.00 21.31 H new ATOM 0 HG22 THR A 25 -1.761 -5.217 4.295 1.00 21.31 H new ATOM 0 HG23 THR A 25 -2.611 -3.730 3.811 1.00 21.31 H new ATOM 349 N PRO A 26 -3.264 -8.268 3.060 1.00 1.52 N ATOM 350 CA PRO A 26 -3.412 -9.715 3.061 1.00 64.25 C ATOM 351 C PRO A 26 -3.944 -10.177 4.415 1.00 41.11 C ATOM 352 O PRO A 26 -3.630 -9.594 5.459 1.00 65.25 O ATOM 353 CB PRO A 26 -2.026 -10.293 2.757 1.00 23.42 C ATOM 354 CG PRO A 26 -1.047 -9.185 3.138 1.00 14.31 C ATOM 355 CD PRO A 26 -1.862 -7.889 3.146 1.00 52.11 C ATOM 0 HA PRO A 26 -4.127 -10.057 2.313 1.00 64.25 H new ATOM 0 HB2 PRO A 26 -1.841 -11.199 3.333 1.00 23.42 H new ATOM 0 HB3 PRO A 26 -1.931 -10.560 1.704 1.00 23.42 H new ATOM 0 HG2 PRO A 26 -0.605 -9.374 4.116 1.00 14.31 H new ATOM 0 HG3 PRO A 26 -0.226 -9.126 2.423 1.00 14.31 H new ATOM 0 HD2 PRO A 26 -1.672 -7.319 4.056 1.00 52.11 H new ATOM 0 HD3 PRO A 26 -1.582 -7.252 2.307 1.00 52.11 H new ATOM 360 N LYS A 27 -4.674 -11.292 4.433 1.00 70.52 N ATOM 361 CA LYS A 27 -5.272 -11.857 5.644 1.00 73.32 C ATOM 362 C LYS A 27 -4.275 -12.396 6.665 1.00 11.42 C ATOM 363 O LYS A 27 -4.653 -13.115 7.582 1.00 52.01 O ATOM 364 CB LYS A 27 -6.337 -12.904 5.284 1.00 11.10 C ATOM 365 CG LYS A 27 -5.735 -14.229 4.793 1.00 65.21 C ATOM 366 CD LYS A 27 -6.840 -15.256 4.575 1.00 5.04 C ATOM 367 CE LYS A 27 -6.243 -16.666 4.524 1.00 13.04 C ATOM 368 NZ LYS A 27 -7.287 -17.709 4.599 1.00 5.42 N ATOM 0 H LYS A 27 -4.870 -11.837 3.594 1.00 70.52 H new ATOM 0 HA LYS A 27 -5.749 -11.018 6.151 1.00 73.32 H new ATOM 0 HB2 LYS A 27 -6.960 -13.096 6.158 1.00 11.10 H new ATOM 0 HB3 LYS A 27 -6.990 -12.499 4.510 1.00 11.10 H new ATOM 0 HG2 LYS A 27 -5.189 -14.067 3.863 1.00 65.21 H new ATOM 0 HG3 LYS A 27 -5.018 -14.604 5.523 1.00 65.21 H new ATOM 0 HD2 LYS A 27 -7.572 -15.191 5.380 1.00 5.04 H new ATOM 0 HD3 LYS A 27 -7.368 -15.042 3.646 1.00 5.04 H new ATOM 0 HE2 LYS A 27 -5.675 -16.787 3.602 1.00 13.04 H new ATOM 0 HE3 LYS A 27 -5.542 -16.794 5.349 1.00 13.04 H new ATOM 0 HZ1 LYS A 27 -6.842 -18.648 4.561 1.00 5.42 H new ATOM 0 HZ2 LYS A 27 -7.813 -17.610 5.491 1.00 5.42 H new ATOM 0 HZ3 LYS A 27 -7.941 -17.603 3.798 1.00 5.42 H new ATOM 378 N ASN A 28 -3.001 -12.096 6.487 1.00 73.22 N ATOM 379 CA ASN A 28 -1.910 -12.753 7.130 1.00 71.55 C ATOM 380 C ASN A 28 -1.578 -11.936 8.368 1.00 51.03 C ATOM 381 O ASN A 28 -1.554 -12.486 9.466 1.00 24.33 O ATOM 382 CB ASN A 28 -0.781 -12.849 6.098 1.00 2.21 C ATOM 383 CG ASN A 28 -1.018 -13.986 5.104 1.00 62.12 C ATOM 384 OD1 ASN A 28 -0.243 -14.931 5.030 1.00 51.41 O ATOM 385 ND2 ASN A 28 -2.103 -13.943 4.341 1.00 72.12 N ATOM 0 H ASN A 28 -2.700 -11.351 5.858 1.00 73.22 H new ATOM 0 HA ASN A 28 -2.117 -13.769 7.466 1.00 71.55 H new ATOM 0 HB2 ASN A 28 -0.700 -11.905 5.559 1.00 2.21 H new ATOM 0 HB3 ASN A 28 0.168 -13.006 6.611 1.00 2.21 H new ATOM 0 HD21 ASN A 28 -2.297 -14.701 3.687 1.00 72.12 H new ATOM 0 HD22 ASN A 28 -2.743 -13.152 4.409 1.00 72.12 H new ATOM 391 N ILE A 29 -1.363 -10.625 8.208 1.00 12.12 N ATOM 392 CA ILE A 29 -0.835 -9.737 9.240 1.00 44.11 C ATOM 393 C ILE A 29 -1.507 -8.349 9.105 1.00 71.14 C ATOM 394 O ILE A 29 -2.058 -8.047 8.039 1.00 33.32 O ATOM 395 CB ILE A 29 0.713 -9.667 9.130 1.00 50.15 C ATOM 396 CG1 ILE A 29 1.265 -8.809 7.978 1.00 61.45 C ATOM 397 CG2 ILE A 29 1.358 -11.053 9.063 1.00 44.31 C ATOM 398 CD1 ILE A 29 0.960 -9.280 6.561 1.00 74.31 C ATOM 0 H ILE A 29 -1.558 -10.143 7.331 1.00 12.12 H new ATOM 0 HA ILE A 29 -1.066 -10.120 10.234 1.00 44.11 H new ATOM 0 HB ILE A 29 0.990 -9.163 10.056 1.00 50.15 H new ATOM 0 HG12 ILE A 29 0.875 -7.798 8.091 1.00 61.45 H new ATOM 0 HG13 ILE A 29 2.348 -8.747 8.089 1.00 61.45 H new ATOM 0 HG21 ILE A 29 2.440 -10.947 8.987 1.00 44.31 H new ATOM 0 HG22 ILE A 29 1.111 -11.613 9.965 1.00 44.31 H new ATOM 0 HG23 ILE A 29 0.983 -11.587 8.190 1.00 44.31 H new ATOM 0 HD11 ILE A 29 1.405 -8.589 5.844 1.00 74.31 H new ATOM 0 HD12 ILE A 29 1.376 -10.276 6.411 1.00 74.31 H new ATOM 0 HD13 ILE A 29 -0.119 -9.312 6.413 1.00 74.31 H new ATOM 409 N PRO A 30 -1.480 -7.488 10.136 1.00 63.32 N ATOM 410 CA PRO A 30 -1.987 -6.113 10.065 1.00 25.14 C ATOM 411 C PRO A 30 -1.067 -5.220 9.213 1.00 41.14 C ATOM 412 O PRO A 30 0.097 -5.562 9.020 1.00 23.23 O ATOM 413 CB PRO A 30 -2.076 -5.671 11.531 1.00 62.42 C ATOM 414 CG PRO A 30 -1.002 -6.483 12.242 1.00 2.10 C ATOM 415 CD PRO A 30 -0.956 -7.788 11.460 1.00 61.44 C ATOM 0 HA PRO A 30 -2.956 -6.038 9.572 1.00 25.14 H new ATOM 0 HB2 PRO A 30 -1.897 -4.601 11.634 1.00 62.42 H new ATOM 0 HB3 PRO A 30 -3.064 -5.871 11.946 1.00 62.42 H new ATOM 0 HG2 PRO A 30 -0.039 -5.973 12.226 1.00 2.10 H new ATOM 0 HG3 PRO A 30 -1.256 -6.652 13.288 1.00 2.10 H new ATOM 0 HD2 PRO A 30 0.064 -8.169 11.398 1.00 61.44 H new ATOM 0 HD3 PRO A 30 -1.554 -8.557 11.950 1.00 61.44 H new ATOM 420 N LEU A 31 -1.539 -4.056 8.744 1.00 54.42 N ATOM 421 CA LEU A 31 -0.742 -3.075 7.984 1.00 21.21 C ATOM 422 C LEU A 31 0.619 -2.777 8.644 1.00 31.41 C ATOM 423 O LEU A 31 1.649 -2.946 7.988 1.00 34.22 O ATOM 424 CB LEU A 31 -1.559 -1.805 7.711 1.00 54.41 C ATOM 425 CG LEU A 31 -0.868 -0.671 6.930 1.00 11.10 C ATOM 426 CD1 LEU A 31 0.084 0.190 7.763 1.00 51.44 C ATOM 427 CD2 LEU A 31 -0.161 -1.138 5.655 1.00 64.44 C ATOM 0 H LEU A 31 -2.506 -3.762 8.884 1.00 54.42 H new ATOM 0 HA LEU A 31 -0.503 -3.523 7.020 1.00 21.21 H new ATOM 0 HB2 LEU A 31 -2.456 -2.093 7.163 1.00 54.41 H new ATOM 0 HB3 LEU A 31 -1.886 -1.403 8.670 1.00 54.41 H new ATOM 0 HG LEU A 31 -1.708 -0.039 6.641 1.00 11.10 H new ATOM 0 HD11 LEU A 31 0.524 0.961 7.131 1.00 51.44 H new ATOM 0 HD12 LEU A 31 -0.468 0.659 8.577 1.00 51.44 H new ATOM 0 HD13 LEU A 31 0.875 -0.437 8.175 1.00 51.44 H new ATOM 0 HD21 LEU A 31 0.301 -0.283 5.161 1.00 64.44 H new ATOM 0 HD22 LEU A 31 0.607 -1.868 5.911 1.00 64.44 H new ATOM 0 HD23 LEU A 31 -0.887 -1.596 4.983 1.00 64.44 H new ATOM 438 N PRO A 32 0.696 -2.389 9.935 1.00 5.22 N ATOM 439 CA PRO A 32 1.980 -2.139 10.595 1.00 41.02 C ATOM 440 C PRO A 32 2.827 -3.409 10.820 1.00 13.12 C ATOM 441 O PRO A 32 3.871 -3.320 11.461 1.00 24.41 O ATOM 442 CB PRO A 32 1.643 -1.406 11.894 1.00 2.43 C ATOM 443 CG PRO A 32 0.233 -1.875 12.220 1.00 50.11 C ATOM 444 CD PRO A 32 -0.394 -2.021 10.835 1.00 2.42 C ATOM 0 HA PRO A 32 2.623 -1.535 9.955 1.00 41.02 H new ATOM 0 HB2 PRO A 32 2.343 -1.660 12.690 1.00 2.43 H new ATOM 0 HB3 PRO A 32 1.685 -0.324 11.766 1.00 2.43 H new ATOM 0 HG2 PRO A 32 0.235 -2.818 12.766 1.00 50.11 H new ATOM 0 HG3 PRO A 32 -0.304 -1.152 12.834 1.00 50.11 H new ATOM 0 HD2 PRO A 32 -1.172 -2.784 10.838 1.00 2.42 H new ATOM 0 HD3 PRO A 32 -0.863 -1.089 10.519 1.00 2.42 H new ATOM 449 N ALA A 33 2.425 -4.584 10.331 1.00 21.52 N ATOM 450 CA ALA A 33 3.304 -5.726 10.116 1.00 73.23 C ATOM 451 C ALA A 33 3.622 -5.851 8.627 1.00 74.33 C ATOM 452 O ALA A 33 4.792 -6.006 8.290 1.00 5.44 O ATOM 453 CB ALA A 33 2.671 -6.988 10.699 1.00 21.32 C ATOM 0 H ALA A 33 1.457 -4.768 10.069 1.00 21.52 H new ATOM 0 HA ALA A 33 4.250 -5.581 10.637 1.00 73.23 H new ATOM 0 HB1 ALA A 33 3.334 -7.837 10.534 1.00 21.32 H new ATOM 0 HB2 ALA A 33 2.512 -6.854 11.769 1.00 21.32 H new ATOM 0 HB3 ALA A 33 1.715 -7.174 10.210 1.00 21.32 H new ATOM 459 N PHE A 34 2.612 -5.726 7.755 1.00 14.12 N ATOM 460 CA PHE A 34 2.670 -5.944 6.313 1.00 51.12 C ATOM 461 C PHE A 34 3.767 -5.149 5.609 1.00 65.44 C ATOM 462 O PHE A 34 4.201 -5.556 4.534 1.00 1.42 O ATOM 463 CB PHE A 34 1.301 -5.659 5.672 1.00 61.22 C ATOM 464 CG PHE A 34 1.225 -5.917 4.172 1.00 63.23 C ATOM 465 CD1 PHE A 34 1.812 -7.067 3.597 1.00 30.21 C ATOM 466 CD2 PHE A 34 0.620 -4.963 3.328 1.00 14.22 C ATOM 467 CE1 PHE A 34 1.814 -7.233 2.203 1.00 34.10 C ATOM 468 CE2 PHE A 34 0.576 -5.159 1.938 1.00 61.14 C ATOM 469 CZ PHE A 34 1.191 -6.287 1.374 1.00 25.33 C ATOM 0 H PHE A 34 1.678 -5.453 8.062 1.00 14.12 H new ATOM 0 HA PHE A 34 2.929 -6.994 6.178 1.00 51.12 H new ATOM 0 HB2 PHE A 34 0.549 -6.272 6.169 1.00 61.22 H new ATOM 0 HB3 PHE A 34 1.038 -4.618 5.860 1.00 61.22 H new ATOM 0 HD1 PHE A 34 2.259 -7.819 4.231 1.00 30.21 H new ATOM 0 HD2 PHE A 34 0.185 -4.071 3.755 1.00 14.22 H new ATOM 0 HE1 PHE A 34 2.298 -8.094 1.766 1.00 34.10 H new ATOM 0 HE2 PHE A 34 0.071 -4.444 1.306 1.00 61.14 H new ATOM 0 HZ PHE A 34 1.185 -6.427 0.303 1.00 25.33 H new ATOM 478 N GLY A 35 4.257 -4.068 6.207 1.00 2.51 N ATOM 479 CA GLY A 35 5.435 -3.364 5.747 1.00 52.35 C ATOM 480 C GLY A 35 6.614 -3.629 6.674 1.00 50.12 C ATOM 481 O GLY A 35 7.628 -4.187 6.260 1.00 72.34 O ATOM 0 H GLY A 35 3.835 -3.655 7.038 1.00 2.51 H new ATOM 0 HA2 GLY A 35 5.683 -3.682 4.734 1.00 52.35 H new ATOM 0 HA3 GLY A 35 5.232 -2.294 5.704 1.00 52.35 H new ATOM 485 N GLN A 36 6.454 -3.238 7.939 1.00 50.22 N ATOM 486 CA GLN A 36 7.489 -3.102 8.964 1.00 2.43 C ATOM 487 C GLN A 36 8.262 -4.381 9.307 1.00 62.11 C ATOM 488 O GLN A 36 9.234 -4.309 10.063 1.00 25.42 O ATOM 489 CB GLN A 36 6.860 -2.558 10.259 1.00 42.12 C ATOM 490 CG GLN A 36 6.006 -1.291 10.051 1.00 33.43 C ATOM 491 CD GLN A 36 5.554 -0.642 11.355 1.00 73.22 C ATOM 492 OE1 GLN A 36 6.053 -0.930 12.438 1.00 51.35 O ATOM 493 NE2 GLN A 36 4.599 0.269 11.272 1.00 63.33 N ATOM 0 H GLN A 36 5.532 -2.991 8.299 1.00 50.22 H new ATOM 0 HA GLN A 36 8.218 -2.418 8.530 1.00 2.43 H new ATOM 0 HB2 GLN A 36 6.238 -3.335 10.704 1.00 42.12 H new ATOM 0 HB3 GLN A 36 7.654 -2.337 10.973 1.00 42.12 H new ATOM 0 HG2 GLN A 36 6.580 -0.566 9.473 1.00 33.43 H new ATOM 0 HG3 GLN A 36 5.128 -1.547 9.458 1.00 33.43 H new ATOM 0 HE21 GLN A 36 4.192 0.500 10.366 1.00 63.33 H new ATOM 0 HE22 GLN A 36 4.270 0.741 12.114 1.00 63.33 H new ATOM 500 N ARG A 37 7.823 -5.555 8.847 1.00 11.20 N ATOM 501 CA ARG A 37 8.498 -6.834 9.091 1.00 30.42 C ATOM 502 C ARG A 37 8.572 -7.703 7.831 1.00 52.41 C ATOM 503 O ARG A 37 8.902 -8.885 7.914 1.00 44.11 O ATOM 504 CB ARG A 37 7.789 -7.572 10.238 1.00 74.34 C ATOM 505 CG ARG A 37 7.774 -6.775 11.551 1.00 65.42 C ATOM 506 CD ARG A 37 7.414 -7.734 12.687 1.00 44.01 C ATOM 507 NE ARG A 37 7.199 -7.079 13.984 1.00 31.24 N ATOM 508 CZ ARG A 37 6.037 -6.621 14.449 1.00 43.24 C ATOM 509 NH1 ARG A 37 4.992 -6.515 13.636 1.00 12.34 N ATOM 510 NH2 ARG A 37 5.894 -6.305 15.723 1.00 10.32 N ATOM 0 H ARG A 37 6.976 -5.646 8.286 1.00 11.20 H new ATOM 0 HA ARG A 37 9.529 -6.627 9.377 1.00 30.42 H new ATOM 0 HB2 ARG A 37 6.763 -7.791 9.942 1.00 74.34 H new ATOM 0 HB3 ARG A 37 8.283 -8.529 10.407 1.00 74.34 H new ATOM 0 HG2 ARG A 37 8.748 -6.321 11.731 1.00 65.42 H new ATOM 0 HG3 ARG A 37 7.049 -5.963 11.495 1.00 65.42 H new ATOM 0 HD2 ARG A 37 6.511 -8.279 12.414 1.00 44.01 H new ATOM 0 HD3 ARG A 37 8.211 -8.470 12.792 1.00 44.01 H new ATOM 0 HE ARG A 37 8.015 -6.964 14.585 1.00 31.24 H new ATOM 0 HH11 ARG A 37 5.079 -6.784 12.656 1.00 12.34 H new ATOM 0 HH12 ARG A 37 4.103 -6.165 13.992 1.00 12.34 H new ATOM 0 HH21 ARG A 37 6.679 -6.410 16.366 1.00 10.32 H new ATOM 0 HH22 ARG A 37 4.999 -5.956 16.064 1.00 10.32 H new ATOM 521 N ILE A 38 8.196 -7.142 6.681 1.00 61.21 N ATOM 522 CA ILE A 38 7.917 -7.877 5.446 1.00 31.41 C ATOM 523 C ILE A 38 8.645 -7.219 4.270 1.00 42.21 C ATOM 524 O ILE A 38 9.236 -7.924 3.452 1.00 63.01 O ATOM 525 CB ILE A 38 6.394 -7.904 5.201 1.00 73.23 C ATOM 526 CG1 ILE A 38 5.554 -8.477 6.363 1.00 13.53 C ATOM 527 CG2 ILE A 38 6.002 -8.580 3.874 1.00 41.55 C ATOM 528 CD1 ILE A 38 5.556 -9.982 6.575 1.00 5.52 C ATOM 0 H ILE A 38 8.074 -6.134 6.580 1.00 61.21 H new ATOM 0 HA ILE A 38 8.277 -8.902 5.539 1.00 31.41 H new ATOM 0 HB ILE A 38 6.142 -6.846 5.135 1.00 73.23 H new ATOM 0 HG12 ILE A 38 5.899 -8.010 7.285 1.00 13.53 H new ATOM 0 HG13 ILE A 38 4.521 -8.163 6.214 1.00 13.53 H new ATOM 0 HG21 ILE A 38 4.918 -8.565 3.764 1.00 41.55 H new ATOM 0 HG22 ILE A 38 6.458 -8.042 3.043 1.00 41.55 H new ATOM 0 HG23 ILE A 38 6.352 -9.612 3.874 1.00 41.55 H new ATOM 0 HD11 ILE A 38 4.922 -10.230 7.426 1.00 5.52 H new ATOM 0 HD12 ILE A 38 5.174 -10.476 5.681 1.00 5.52 H new ATOM 0 HD13 ILE A 38 6.574 -10.321 6.770 1.00 5.52 H new ATOM 539 N ILE A 39 8.554 -5.890 4.165 1.00 45.44 N ATOM 540 CA ILE A 39 9.044 -5.099 3.039 1.00 74.25 C ATOM 541 C ILE A 39 10.440 -4.547 3.354 1.00 52.14 C ATOM 542 O ILE A 39 11.182 -4.213 2.432 1.00 10.31 O ATOM 543 CB ILE A 39 8.023 -3.965 2.743 1.00 4.53 C ATOM 544 CG1 ILE A 39 6.597 -4.478 2.460 1.00 3.53 C ATOM 545 CG2 ILE A 39 8.451 -3.056 1.580 1.00 72.22 C ATOM 546 CD1 ILE A 39 6.400 -5.314 1.200 1.00 43.13 C ATOM 0 H ILE A 39 8.121 -5.317 4.890 1.00 45.44 H new ATOM 0 HA ILE A 39 9.137 -5.720 2.148 1.00 74.25 H new ATOM 0 HB ILE A 39 8.010 -3.385 3.666 1.00 4.53 H new ATOM 0 HG12 ILE A 39 6.275 -5.073 3.315 1.00 3.53 H new ATOM 0 HG13 ILE A 39 5.932 -3.616 2.402 1.00 3.53 H new ATOM 0 HG21 ILE A 39 7.696 -2.285 1.424 1.00 72.22 H new ATOM 0 HG22 ILE A 39 9.406 -2.586 1.818 1.00 72.22 H new ATOM 0 HG23 ILE A 39 8.555 -3.651 0.673 1.00 72.22 H new ATOM 0 HD11 ILE A 39 5.354 -5.610 1.120 1.00 43.13 H new ATOM 0 HD12 ILE A 39 6.678 -4.726 0.326 1.00 43.13 H new ATOM 0 HD13 ILE A 39 7.026 -6.204 1.253 1.00 43.13 H new ATOM 557 N GLY A 40 10.807 -4.425 4.632 1.00 21.42 N ATOM 558 CA GLY A 40 12.055 -3.790 5.032 1.00 11.42 C ATOM 559 C GLY A 40 11.923 -2.279 5.191 1.00 50.35 C ATOM 560 O GLY A 40 12.878 -1.625 5.604 1.00 73.34 O ATOM 0 H GLY A 40 10.246 -4.764 5.413 1.00 21.42 H new ATOM 0 HA2 GLY A 40 12.392 -4.222 5.974 1.00 11.42 H new ATOM 0 HA3 GLY A 40 12.823 -4.007 4.289 1.00 11.42 H new ATOM 564 N TRP A 41 10.753 -1.691 4.916 1.00 45.24 N ATOM 565 CA TRP A 41 10.601 -0.245 4.808 1.00 1.41 C ATOM 566 C TRP A 41 10.610 0.483 6.155 1.00 24.34 C ATOM 567 O TRP A 41 10.155 1.625 6.214 1.00 73.24 O ATOM 568 CB TRP A 41 9.366 0.082 3.954 1.00 34.43 C ATOM 569 CG TRP A 41 7.997 -0.011 4.558 1.00 32.21 C ATOM 570 CD1 TRP A 41 7.693 -0.363 5.830 1.00 32.21 C ATOM 571 CD2 TRP A 41 6.719 0.269 3.905 1.00 54.44 C ATOM 572 NE1 TRP A 41 6.345 -0.202 6.036 1.00 45.34 N ATOM 573 CE2 TRP A 41 5.686 0.111 4.871 1.00 2.32 C ATOM 574 CE3 TRP A 41 6.311 0.618 2.597 1.00 54.20 C ATOM 575 CZ2 TRP A 41 4.330 0.259 4.564 1.00 41.23 C ATOM 576 CZ3 TRP A 41 4.947 0.755 2.274 1.00 11.22 C ATOM 577 CH2 TRP A 41 3.955 0.575 3.252 1.00 51.33 C ATOM 0 H TRP A 41 9.888 -2.209 4.763 1.00 45.24 H new ATOM 0 HA TRP A 41 11.485 0.142 4.301 1.00 1.41 H new ATOM 0 HB2 TRP A 41 9.488 1.099 3.581 1.00 34.43 H new ATOM 0 HB3 TRP A 41 9.385 -0.580 3.088 1.00 34.43 H new ATOM 0 HD1 TRP A 41 8.400 -0.715 6.567 1.00 32.21 H new ATOM 0 HE1 TRP A 41 5.889 -0.302 6.943 1.00 45.34 H new ATOM 0 HE3 TRP A 41 7.057 0.782 1.834 1.00 54.20 H new ATOM 0 HZ2 TRP A 41 3.580 0.131 5.330 1.00 41.23 H new ATOM 0 HZ3 TRP A 41 4.660 1.001 1.262 1.00 11.22 H new ATOM 0 HH2 TRP A 41 2.911 0.679 2.994 1.00 51.33 H new ATOM 587 N GLY A 42 11.075 -0.148 7.235 1.00 24.01 N ATOM 588 CA GLY A 42 11.092 0.372 8.590 1.00 30.02 C ATOM 589 C GLY A 42 9.707 0.861 8.950 1.00 11.33 C ATOM 590 O GLY A 42 8.778 0.061 8.980 1.00 65.41 O ATOM 0 H GLY A 42 11.470 -1.087 7.177 1.00 24.01 H new ATOM 0 HA2 GLY A 42 11.410 -0.404 9.287 1.00 30.02 H new ATOM 0 HA3 GLY A 42 11.811 1.187 8.671 1.00 30.02 H new ATOM 594 N THR A 43 9.545 2.160 9.199 1.00 73.54 N ATOM 595 CA THR A 43 8.274 2.687 9.710 1.00 42.24 C ATOM 596 C THR A 43 8.230 4.223 9.630 1.00 12.05 C ATOM 597 O THR A 43 8.284 4.924 10.646 1.00 25.44 O ATOM 598 CB THR A 43 8.008 2.118 11.127 1.00 64.53 C ATOM 599 OG1 THR A 43 6.893 2.730 11.745 1.00 54.33 O ATOM 600 CG2 THR A 43 9.216 2.282 12.042 1.00 70.54 C ATOM 0 H THR A 43 10.269 2.864 9.058 1.00 73.54 H new ATOM 0 HA THR A 43 7.453 2.352 9.076 1.00 42.24 H new ATOM 0 HB THR A 43 7.803 1.057 10.983 1.00 64.53 H new ATOM 0 HG1 THR A 43 6.759 2.342 12.635 1.00 54.33 H new ATOM 0 HG21 THR A 43 8.987 1.870 13.025 1.00 70.54 H new ATOM 0 HG22 THR A 43 10.069 1.753 11.617 1.00 70.54 H new ATOM 0 HG23 THR A 43 9.457 3.340 12.140 1.00 70.54 H new ATOM 608 N GLY A 44 8.076 4.777 8.432 1.00 71.40 N ATOM 609 CA GLY A 44 8.190 6.209 8.218 1.00 43.12 C ATOM 610 C GLY A 44 8.884 6.535 6.910 1.00 54.34 C ATOM 611 O GLY A 44 8.603 5.910 5.883 1.00 3.13 O ATOM 0 H GLY A 44 7.869 4.245 7.587 1.00 71.40 H new ATOM 0 HA2 GLY A 44 7.196 6.656 8.222 1.00 43.12 H new ATOM 0 HA3 GLY A 44 8.744 6.656 9.043 1.00 43.12 H new ATOM 615 N ALA A 45 9.801 7.494 6.966 1.00 12.54 N ATOM 616 CA ALA A 45 10.561 7.977 5.819 1.00 25.43 C ATOM 617 C ALA A 45 11.877 7.208 5.682 1.00 64.34 C ATOM 618 O ALA A 45 12.095 6.557 4.664 1.00 50.24 O ATOM 619 CB ALA A 45 10.793 9.488 5.949 1.00 34.35 C ATOM 0 H ALA A 45 10.043 7.970 7.835 1.00 12.54 H new ATOM 0 HA ALA A 45 9.990 7.801 4.908 1.00 25.43 H new ATOM 0 HB1 ALA A 45 11.361 9.844 5.090 1.00 34.35 H new ATOM 0 HB2 ALA A 45 9.832 10.002 5.987 1.00 34.35 H new ATOM 0 HB3 ALA A 45 11.350 9.693 6.863 1.00 34.35 H new ATOM 625 N GLU A 46 12.740 7.262 6.701 1.00 52.32 N ATOM 626 CA GLU A 46 14.085 6.702 6.696 1.00 23.05 C ATOM 627 C GLU A 46 14.076 5.240 6.288 1.00 22.41 C ATOM 628 O GLU A 46 14.884 4.828 5.457 1.00 44.23 O ATOM 629 CB GLU A 46 14.685 6.830 8.104 1.00 21.01 C ATOM 630 CG GLU A 46 15.630 8.029 8.191 1.00 3.31 C ATOM 631 CD GLU A 46 16.001 8.394 9.629 1.00 73.10 C ATOM 632 OE1 GLU A 46 15.189 8.122 10.551 1.00 70.22 O ATOM 633 OE2 GLU A 46 17.032 9.061 9.847 1.00 3.34 O ATOM 0 H GLU A 46 12.507 7.716 7.584 1.00 52.32 H new ATOM 0 HA GLU A 46 14.684 7.253 5.971 1.00 23.05 H new ATOM 0 HB2 GLU A 46 13.884 6.940 8.836 1.00 21.01 H new ATOM 0 HB3 GLU A 46 15.225 5.918 8.357 1.00 21.01 H new ATOM 0 HG2 GLU A 46 16.539 7.809 7.632 1.00 3.31 H new ATOM 0 HG3 GLU A 46 15.162 8.889 7.713 1.00 3.31 H new ATOM 638 N GLY A 47 13.176 4.458 6.879 1.00 54.31 N ATOM 639 CA GLY A 47 13.137 3.020 6.663 1.00 32.02 C ATOM 640 C GLY A 47 12.968 2.719 5.171 1.00 24.21 C ATOM 641 O GLY A 47 13.734 1.978 4.558 1.00 45.44 O ATOM 0 H GLY A 47 12.459 4.804 7.517 1.00 54.31 H new ATOM 0 HA2 GLY A 47 14.055 2.563 7.033 1.00 32.02 H new ATOM 0 HA3 GLY A 47 12.313 2.581 7.226 1.00 32.02 H new ATOM 645 N ALA A 48 11.950 3.353 4.589 1.00 71.11 N ATOM 646 CA ALA A 48 11.556 3.222 3.205 1.00 52.53 C ATOM 647 C ALA A 48 12.609 3.823 2.271 1.00 3.45 C ATOM 648 O ALA A 48 12.647 3.421 1.116 1.00 34.05 O ATOM 649 CB ALA A 48 10.170 3.868 3.015 1.00 11.23 C ATOM 0 H ALA A 48 11.355 4.002 5.104 1.00 71.11 H new ATOM 0 HA ALA A 48 11.484 2.166 2.943 1.00 52.53 H new ATOM 0 HB1 ALA A 48 9.864 3.774 1.973 1.00 11.23 H new ATOM 0 HB2 ALA A 48 9.444 3.365 3.653 1.00 11.23 H new ATOM 0 HB3 ALA A 48 10.220 4.923 3.284 1.00 11.23 H new ATOM 655 N ARG A 49 13.469 4.747 2.720 1.00 22.03 N ATOM 656 CA ARG A 49 14.560 5.275 1.895 1.00 3.41 C ATOM 657 C ARG A 49 15.650 4.216 1.781 1.00 13.53 C ATOM 658 O ARG A 49 16.035 3.839 0.676 1.00 50.20 O ATOM 659 CB ARG A 49 15.109 6.550 2.573 1.00 62.04 C ATOM 660 CG ARG A 49 16.308 7.244 1.895 1.00 62.24 C ATOM 661 CD ARG A 49 17.018 8.154 2.915 1.00 42.40 C ATOM 662 NE ARG A 49 17.616 9.364 2.328 1.00 53.43 N ATOM 663 CZ ARG A 49 18.787 9.525 1.707 1.00 65.31 C ATOM 664 NH1 ARG A 49 19.548 8.490 1.363 1.00 33.22 N ATOM 665 NH2 ARG A 49 19.195 10.757 1.424 1.00 45.13 N ATOM 0 H ARG A 49 13.428 5.146 3.658 1.00 22.03 H new ATOM 0 HA ARG A 49 14.207 5.523 0.894 1.00 3.41 H new ATOM 0 HB2 ARG A 49 14.296 7.272 2.644 1.00 62.04 H new ATOM 0 HB3 ARG A 49 15.398 6.294 3.592 1.00 62.04 H new ATOM 0 HG2 ARG A 49 17.004 6.498 1.511 1.00 62.24 H new ATOM 0 HG3 ARG A 49 15.967 7.832 1.042 1.00 62.24 H new ATOM 0 HD2 ARG A 49 16.302 8.451 3.681 1.00 42.40 H new ATOM 0 HD3 ARG A 49 17.800 7.581 3.414 1.00 42.40 H new ATOM 0 HE ARG A 49 17.049 10.208 2.408 1.00 53.43 H new ATOM 0 HH11 ARG A 49 19.242 7.540 1.573 1.00 33.22 H new ATOM 0 HH12 ARG A 49 20.438 8.646 0.889 1.00 33.22 H new ATOM 0 HH21 ARG A 49 18.617 11.557 1.681 1.00 45.13 H new ATOM 0 HH22 ARG A 49 20.086 10.903 0.950 1.00 45.13 H new ATOM 676 N GLN A 50 16.141 3.727 2.919 1.00 31.35 N ATOM 677 CA GLN A 50 17.316 2.875 2.988 1.00 10.12 C ATOM 678 C GLN A 50 17.054 1.513 2.367 1.00 53.10 C ATOM 679 O GLN A 50 18.004 0.832 1.990 1.00 21.13 O ATOM 680 CB GLN A 50 17.758 2.727 4.447 1.00 22.13 C ATOM 681 CG GLN A 50 18.447 3.999 4.953 1.00 4.44 C ATOM 682 CD GLN A 50 18.304 4.113 6.463 1.00 3.54 C ATOM 683 OE1 GLN A 50 19.111 3.634 7.251 1.00 63.20 O ATOM 684 NE2 GLN A 50 17.225 4.718 6.916 1.00 43.13 N ATOM 0 H GLN A 50 15.724 3.918 3.830 1.00 31.35 H new ATOM 0 HA GLN A 50 18.116 3.344 2.415 1.00 10.12 H new ATOM 0 HB2 GLN A 50 16.892 2.508 5.071 1.00 22.13 H new ATOM 0 HB3 GLN A 50 18.439 1.881 4.539 1.00 22.13 H new ATOM 0 HG2 GLN A 50 19.502 3.981 4.681 1.00 4.44 H new ATOM 0 HG3 GLN A 50 18.009 4.874 4.472 1.00 4.44 H new ATOM 0 HE21 GLN A 50 16.552 5.118 6.262 1.00 43.13 H new ATOM 0 HE22 GLN A 50 17.063 4.787 7.921 1.00 43.13 H new ATOM 691 N ARG A 51 15.791 1.100 2.229 1.00 10.31 N ATOM 692 CA ARG A 51 15.442 -0.131 1.534 1.00 31.42 C ATOM 693 C ARG A 51 14.962 0.086 0.100 1.00 54.44 C ATOM 694 O ARG A 51 14.750 -0.885 -0.616 1.00 13.35 O ATOM 695 CB ARG A 51 14.441 -0.947 2.373 1.00 42.52 C ATOM 696 CG ARG A 51 15.113 -1.845 3.423 1.00 21.01 C ATOM 697 CD ARG A 51 15.795 -1.131 4.600 1.00 54.11 C ATOM 698 NE ARG A 51 15.696 -1.940 5.827 1.00 2.45 N ATOM 699 CZ ARG A 51 16.653 -2.579 6.511 1.00 70.33 C ATOM 700 NH1 ARG A 51 17.900 -2.663 6.053 1.00 51.42 N ATOM 701 NH2 ARG A 51 16.344 -3.137 7.672 1.00 71.15 N ATOM 0 H ARG A 51 14.988 1.611 2.596 1.00 10.31 H new ATOM 0 HA ARG A 51 16.359 -0.710 1.428 1.00 31.42 H new ATOM 0 HB2 ARG A 51 13.757 -0.263 2.875 1.00 42.52 H new ATOM 0 HB3 ARG A 51 13.840 -1.566 1.707 1.00 42.52 H new ATOM 0 HG2 ARG A 51 14.360 -2.522 3.825 1.00 21.01 H new ATOM 0 HG3 ARG A 51 15.858 -2.460 2.919 1.00 21.01 H new ATOM 0 HD2 ARG A 51 16.843 -0.948 4.363 1.00 54.11 H new ATOM 0 HD3 ARG A 51 15.330 -0.159 4.761 1.00 54.11 H new ATOM 0 HE ARG A 51 14.756 -2.026 6.214 1.00 2.45 H new ATOM 0 HH11 ARG A 51 18.145 -2.234 5.161 1.00 51.42 H new ATOM 0 HH12 ARG A 51 18.610 -3.156 6.594 1.00 51.42 H new ATOM 0 HH21 ARG A 51 15.391 -3.075 8.030 1.00 71.15 H new ATOM 0 HH22 ARG A 51 17.059 -3.628 8.208 1.00 71.15 H new ATOM 712 N LEU A 52 14.810 1.332 -0.354 1.00 74.43 N ATOM 713 CA LEU A 52 14.341 1.605 -1.704 1.00 50.42 C ATOM 714 C LEU A 52 15.477 1.633 -2.678 1.00 30.23 C ATOM 715 O LEU A 52 15.499 0.819 -3.597 1.00 21.24 O ATOM 716 CB LEU A 52 13.627 2.947 -1.772 1.00 51.20 C ATOM 717 CG LEU A 52 13.106 3.422 -3.152 1.00 70.43 C ATOM 718 CD1 LEU A 52 13.670 4.710 -3.737 1.00 2.42 C ATOM 719 CD2 LEU A 52 12.925 2.392 -4.277 1.00 73.34 C ATOM 0 H LEU A 52 15.007 2.166 0.199 1.00 74.43 H new ATOM 0 HA LEU A 52 13.652 0.802 -1.966 1.00 50.42 H new ATOM 0 HB2 LEU A 52 12.778 2.909 -1.089 1.00 51.20 H new ATOM 0 HB3 LEU A 52 14.308 3.708 -1.392 1.00 51.20 H new ATOM 0 HG LEU A 52 12.110 3.644 -2.769 1.00 70.43 H new ATOM 0 HD11 LEU A 52 13.205 4.905 -4.704 1.00 2.42 H new ATOM 0 HD12 LEU A 52 13.461 5.539 -3.061 1.00 2.42 H new ATOM 0 HD13 LEU A 52 14.748 4.610 -3.866 1.00 2.42 H new ATOM 0 HD21 LEU A 52 12.554 2.892 -5.172 1.00 73.34 H new ATOM 0 HD22 LEU A 52 13.883 1.920 -4.496 1.00 73.34 H new ATOM 0 HD23 LEU A 52 12.209 1.632 -3.963 1.00 73.34 H new ATOM 730 N GLU A 53 16.346 2.645 -2.578 1.00 21.42 N ATOM 731 CA GLU A 53 17.049 3.053 -3.782 1.00 14.53 C ATOM 732 C GLU A 53 18.061 1.984 -4.207 1.00 23.05 C ATOM 733 O GLU A 53 18.631 2.063 -5.296 1.00 41.20 O ATOM 734 CB GLU A 53 17.744 4.437 -3.691 1.00 12.12 C ATOM 735 CG GLU A 53 17.084 5.522 -2.822 1.00 41.14 C ATOM 736 CD GLU A 53 17.549 6.935 -3.187 1.00 14.54 C ATOM 737 OE1 GLU A 53 18.773 7.198 -3.243 1.00 62.34 O ATOM 738 OE2 GLU A 53 16.681 7.817 -3.395 1.00 54.34 O ATOM 0 H GLU A 53 16.566 3.165 -1.728 1.00 21.42 H new ATOM 0 HA GLU A 53 16.273 3.160 -4.540 1.00 14.53 H new ATOM 0 HB2 GLU A 53 18.755 4.279 -3.316 1.00 12.12 H new ATOM 0 HB3 GLU A 53 17.837 4.831 -4.703 1.00 12.12 H new ATOM 0 HG2 GLU A 53 16.001 5.461 -2.931 1.00 41.14 H new ATOM 0 HG3 GLU A 53 17.310 5.329 -1.773 1.00 41.14 H new ATOM 743 N ASN A 54 18.284 0.999 -3.336 1.00 3.45 N ATOM 744 CA ASN A 54 19.195 -0.115 -3.436 1.00 65.01 C ATOM 745 C ASN A 54 18.469 -1.468 -3.426 1.00 4.34 C ATOM 746 O ASN A 54 19.054 -2.466 -2.995 1.00 71.34 O ATOM 747 CB ASN A 54 20.220 -0.025 -2.287 1.00 2.31 C ATOM 748 CG ASN A 54 19.600 0.279 -0.925 1.00 33.45 C ATOM 749 OD1 ASN A 54 18.392 -0.177 -0.623 1.00 10.25 O flip ATOM 750 ND2 ASN A 54 20.180 1.031 -0.148 1.00 33.45 N flip ATOM 0 H ASN A 54 17.771 0.970 -2.455 1.00 3.45 H new ATOM 0 HA ASN A 54 19.709 -0.056 -4.395 1.00 65.01 H new ATOM 0 HB2 ASN A 54 20.765 -0.967 -2.225 1.00 2.31 H new ATOM 0 HB3 ASN A 54 20.949 0.750 -2.524 1.00 2.31 H new ATOM 0 HD21 ASN A 54 21.109 1.383 -0.377 1.00 33.45 H new ATOM 0 HD22 ASN A 54 19.733 1.304 0.727 1.00 33.45 H new ATOM 756 N ILE A 55 17.198 -1.521 -3.833 1.00 25.04 N ATOM 757 CA ILE A 55 16.462 -2.783 -3.931 1.00 44.52 C ATOM 758 C ILE A 55 17.239 -3.772 -4.822 1.00 53.52 C ATOM 759 O ILE A 55 18.108 -3.371 -5.612 1.00 34.13 O ATOM 760 CB ILE A 55 15.011 -2.526 -4.422 1.00 52.31 C ATOM 761 CG1 ILE A 55 14.033 -3.630 -3.964 1.00 11.21 C ATOM 762 CG2 ILE A 55 14.914 -2.376 -5.949 1.00 54.50 C ATOM 763 CD1 ILE A 55 13.661 -3.442 -2.493 1.00 10.52 C ATOM 0 H ILE A 55 16.656 -0.700 -4.101 1.00 25.04 H new ATOM 0 HA ILE A 55 16.376 -3.242 -2.946 1.00 44.52 H new ATOM 0 HB ILE A 55 14.724 -1.580 -3.962 1.00 52.31 H new ATOM 0 HG12 ILE A 55 13.133 -3.604 -4.579 1.00 11.21 H new ATOM 0 HG13 ILE A 55 14.489 -4.610 -4.107 1.00 11.21 H new ATOM 0 HG21 ILE A 55 13.876 -2.198 -6.232 1.00 54.50 H new ATOM 0 HG22 ILE A 55 15.527 -1.535 -6.272 1.00 54.50 H new ATOM 0 HG23 ILE A 55 15.269 -3.289 -6.428 1.00 54.50 H new ATOM 0 HD11 ILE A 55 12.971 -4.229 -2.189 1.00 10.52 H new ATOM 0 HD12 ILE A 55 14.561 -3.492 -1.881 1.00 10.52 H new ATOM 0 HD13 ILE A 55 13.185 -2.471 -2.359 1.00 10.52 H new ATOM 774 N GLN A 56 16.902 -5.055 -4.719 1.00 12.32 N ATOM 775 CA GLN A 56 17.471 -6.110 -5.531 1.00 22.14 C ATOM 776 C GLN A 56 16.377 -6.980 -6.152 1.00 32.04 C ATOM 777 O GLN A 56 15.260 -7.047 -5.627 1.00 50.11 O ATOM 778 CB GLN A 56 18.416 -6.963 -4.676 1.00 2.21 C ATOM 779 CG GLN A 56 19.867 -6.492 -4.774 1.00 64.41 C ATOM 780 CD GLN A 56 20.569 -6.346 -3.435 1.00 5.33 C ATOM 781 OE1 GLN A 56 21.446 -7.129 -3.091 1.00 41.25 O ATOM 782 NE2 GLN A 56 20.291 -5.294 -2.685 1.00 13.24 N ATOM 0 H GLN A 56 16.209 -5.391 -4.051 1.00 12.32 H new ATOM 0 HA GLN A 56 18.034 -5.656 -6.346 1.00 22.14 H new ATOM 0 HB2 GLN A 56 18.094 -6.927 -3.635 1.00 2.21 H new ATOM 0 HB3 GLN A 56 18.351 -8.004 -4.994 1.00 2.21 H new ATOM 0 HG2 GLN A 56 20.425 -7.198 -5.388 1.00 64.41 H new ATOM 0 HG3 GLN A 56 19.891 -5.532 -5.290 1.00 64.41 H new ATOM 0 HE21 GLN A 56 19.561 -4.642 -2.972 1.00 13.24 H new ATOM 0 HE22 GLN A 56 20.807 -5.134 -1.820 1.00 13.24 H new ATOM 789 N PRO A 57 16.717 -7.719 -7.211 1.00 12.12 N ATOM 790 CA PRO A 57 15.832 -8.632 -7.913 1.00 51.24 C ATOM 791 C PRO A 57 15.412 -9.862 -7.101 1.00 32.14 C ATOM 792 O PRO A 57 14.614 -10.663 -7.586 1.00 51.33 O ATOM 793 CB PRO A 57 16.592 -9.044 -9.165 1.00 52.42 C ATOM 794 CG PRO A 57 18.061 -8.895 -8.775 1.00 3.34 C ATOM 795 CD PRO A 57 18.015 -7.680 -7.863 1.00 71.23 C ATOM 0 HA PRO A 57 14.889 -8.130 -8.128 1.00 51.24 H new ATOM 0 HB2 PRO A 57 16.358 -10.069 -9.454 1.00 52.42 H new ATOM 0 HB3 PRO A 57 16.338 -8.408 -10.013 1.00 52.42 H new ATOM 0 HG2 PRO A 57 18.440 -9.779 -8.261 1.00 3.34 H new ATOM 0 HG3 PRO A 57 18.700 -8.732 -9.642 1.00 3.34 H new ATOM 0 HD2 PRO A 57 18.821 -7.711 -7.130 1.00 71.23 H new ATOM 0 HD3 PRO A 57 18.138 -6.759 -8.433 1.00 71.23 H new ATOM 800 N ALA A 58 15.944 -10.072 -5.897 1.00 61.33 N ATOM 801 CA ALA A 58 15.490 -11.125 -4.988 1.00 31.41 C ATOM 802 C ALA A 58 14.635 -10.574 -3.842 1.00 52.41 C ATOM 803 O ALA A 58 13.831 -11.317 -3.276 1.00 42.15 O ATOM 804 CB ALA A 58 16.702 -11.866 -4.431 1.00 50.15 C ATOM 0 H ALA A 58 16.709 -9.511 -5.522 1.00 61.33 H new ATOM 0 HA ALA A 58 14.860 -11.810 -5.555 1.00 31.41 H new ATOM 0 HB1 ALA A 58 16.368 -12.652 -3.753 1.00 50.15 H new ATOM 0 HB2 ALA A 58 17.266 -12.310 -5.251 1.00 50.15 H new ATOM 0 HB3 ALA A 58 17.339 -11.166 -3.890 1.00 50.15 H new ATOM 810 N ASP A 59 14.753 -9.280 -3.520 1.00 64.05 N ATOM 811 CA ASP A 59 14.050 -8.673 -2.381 1.00 74.34 C ATOM 812 C ASP A 59 12.548 -8.610 -2.616 1.00 30.42 C ATOM 813 O ASP A 59 11.775 -8.479 -1.670 1.00 52.54 O ATOM 814 CB ASP A 59 14.548 -7.242 -2.159 1.00 5.50 C ATOM 815 CG ASP A 59 15.783 -7.159 -1.259 1.00 41.43 C ATOM 816 OD1 ASP A 59 16.511 -8.166 -1.111 1.00 45.52 O ATOM 817 OD2 ASP A 59 16.023 -6.076 -0.684 1.00 24.20 O ATOM 0 H ASP A 59 15.337 -8.625 -4.040 1.00 64.05 H new ATOM 0 HA ASP A 59 14.254 -9.297 -1.511 1.00 74.34 H new ATOM 0 HB2 ASP A 59 14.781 -6.793 -3.124 1.00 5.50 H new ATOM 0 HB3 ASP A 59 13.746 -6.651 -1.717 1.00 5.50 H new ATOM 821 N VAL A 60 12.109 -8.677 -3.867 1.00 30.34 N ATOM 822 CA VAL A 60 10.697 -8.758 -4.187 1.00 31.33 C ATOM 823 C VAL A 60 10.183 -10.179 -3.918 1.00 22.43 C ATOM 824 O VAL A 60 9.098 -10.330 -3.352 1.00 61.45 O ATOM 825 CB VAL A 60 10.515 -8.295 -5.634 1.00 41.33 C ATOM 826 CG1 VAL A 60 9.060 -8.415 -6.103 1.00 43.41 C ATOM 827 CG2 VAL A 60 11.009 -6.848 -5.801 1.00 62.44 C ATOM 0 H VAL A 60 12.722 -8.676 -4.682 1.00 30.34 H new ATOM 0 HA VAL A 60 10.098 -8.104 -3.553 1.00 31.33 H new ATOM 0 HB VAL A 60 11.115 -8.955 -6.260 1.00 41.33 H new ATOM 0 HG11 VAL A 60 8.981 -8.075 -7.136 1.00 43.41 H new ATOM 0 HG12 VAL A 60 8.742 -9.455 -6.039 1.00 43.41 H new ATOM 0 HG13 VAL A 60 8.421 -7.800 -5.469 1.00 43.41 H new ATOM 0 HG21 VAL A 60 10.873 -6.534 -6.836 1.00 62.44 H new ATOM 0 HG22 VAL A 60 10.439 -6.191 -5.144 1.00 62.44 H new ATOM 0 HG23 VAL A 60 12.066 -6.792 -5.541 1.00 62.44 H new ATOM 837 N SER A 61 10.943 -11.226 -4.277 1.00 25.10 N ATOM 838 CA SER A 61 10.448 -12.597 -4.241 1.00 74.14 C ATOM 839 C SER A 61 9.963 -13.031 -2.876 1.00 44.54 C ATOM 840 O SER A 61 8.967 -13.747 -2.797 1.00 21.10 O ATOM 841 CB SER A 61 11.495 -13.594 -4.747 1.00 44.22 C ATOM 842 OG SER A 61 11.387 -13.692 -6.145 1.00 71.35 O ATOM 0 H SER A 61 11.908 -11.140 -4.596 1.00 25.10 H new ATOM 0 HA SER A 61 9.588 -12.600 -4.911 1.00 74.14 H new ATOM 0 HB2 SER A 61 12.496 -13.265 -4.468 1.00 44.22 H new ATOM 0 HB3 SER A 61 11.340 -14.570 -4.287 1.00 44.22 H new ATOM 0 HG SER A 61 12.054 -14.327 -6.481 1.00 71.35 H new ATOM 847 N MET A 62 10.634 -12.553 -1.840 1.00 53.21 N ATOM 848 CA MET A 62 10.383 -12.818 -0.440 1.00 34.04 C ATOM 849 C MET A 62 8.964 -12.433 -0.075 1.00 70.31 C ATOM 850 O MET A 62 8.291 -13.185 0.613 1.00 53.51 O ATOM 851 CB MET A 62 11.445 -12.148 0.439 1.00 45.54 C ATOM 852 CG MET A 62 11.302 -10.644 0.614 1.00 42.31 C ATOM 853 SD MET A 62 12.809 -9.815 1.186 1.00 5.34 S ATOM 854 CE MET A 62 13.219 -10.845 2.621 1.00 10.20 C ATOM 0 H MET A 62 11.426 -11.924 -1.970 1.00 53.21 H new ATOM 0 HA MET A 62 10.469 -13.888 -0.252 1.00 34.04 H new ATOM 0 HB2 MET A 62 11.422 -12.614 1.424 1.00 45.54 H new ATOM 0 HB3 MET A 62 12.427 -12.354 0.012 1.00 45.54 H new ATOM 0 HG2 MET A 62 10.999 -10.206 -0.337 1.00 42.31 H new ATOM 0 HG3 MET A 62 10.500 -10.447 1.326 1.00 42.31 H new ATOM 0 HE1 MET A 62 13.992 -10.354 3.212 1.00 10.20 H new ATOM 0 HE2 MET A 62 12.329 -10.987 3.233 1.00 10.20 H new ATOM 0 HE3 MET A 62 13.584 -11.814 2.281 1.00 10.20 H new ATOM 862 N ILE A 63 8.476 -11.303 -0.569 1.00 12.43 N ATOM 863 CA ILE A 63 7.195 -10.769 -0.149 1.00 63.12 C ATOM 864 C ILE A 63 6.062 -11.724 -0.550 1.00 54.22 C ATOM 865 O ILE A 63 5.116 -11.905 0.217 1.00 2.42 O ATOM 866 CB ILE A 63 7.081 -9.307 -0.639 1.00 31.34 C ATOM 867 CG1 ILE A 63 8.228 -8.405 -0.128 1.00 64.12 C ATOM 868 CG2 ILE A 63 5.727 -8.671 -0.245 1.00 5.14 C ATOM 869 CD1 ILE A 63 8.350 -7.123 -0.959 1.00 72.32 C ATOM 0 H ILE A 63 8.956 -10.736 -1.268 1.00 12.43 H new ATOM 0 HA ILE A 63 7.105 -10.713 0.936 1.00 63.12 H new ATOM 0 HB ILE A 63 7.153 -9.366 -1.725 1.00 31.34 H new ATOM 0 HG12 ILE A 63 8.051 -8.147 0.916 1.00 64.12 H new ATOM 0 HG13 ILE A 63 9.168 -8.955 -0.166 1.00 64.12 H new ATOM 0 HG21 ILE A 63 5.688 -7.644 -0.608 1.00 5.14 H new ATOM 0 HG22 ILE A 63 4.913 -9.244 -0.689 1.00 5.14 H new ATOM 0 HG23 ILE A 63 5.625 -8.676 0.840 1.00 5.14 H new ATOM 0 HD11 ILE A 63 9.166 -6.514 -0.571 1.00 72.32 H new ATOM 0 HD12 ILE A 63 8.552 -7.381 -1.998 1.00 72.32 H new ATOM 0 HD13 ILE A 63 7.418 -6.561 -0.900 1.00 72.32 H new ATOM 880 N LYS A 64 6.202 -12.453 -1.660 1.00 70.04 N ATOM 881 CA LYS A 64 5.194 -13.433 -2.053 1.00 72.14 C ATOM 882 C LYS A 64 5.132 -14.553 -1.024 1.00 22.04 C ATOM 883 O LYS A 64 4.038 -15.006 -0.691 1.00 32.40 O ATOM 884 CB LYS A 64 5.486 -14.007 -3.435 1.00 43.55 C ATOM 885 CG LYS A 64 5.415 -12.939 -4.529 1.00 73.21 C ATOM 886 CD LYS A 64 6.756 -12.576 -5.164 1.00 44.15 C ATOM 887 CE LYS A 64 7.325 -13.600 -6.165 1.00 50.33 C ATOM 888 NZ LYS A 64 7.670 -14.912 -5.576 1.00 25.42 N ATOM 0 H LYS A 64 6.997 -12.383 -2.295 1.00 70.04 H new ATOM 0 HA LYS A 64 4.229 -12.927 -2.097 1.00 72.14 H new ATOM 0 HB2 LYS A 64 6.477 -14.461 -3.436 1.00 43.55 H new ATOM 0 HB3 LYS A 64 4.771 -14.800 -3.656 1.00 43.55 H new ATOM 0 HG2 LYS A 64 4.741 -13.287 -5.312 1.00 73.21 H new ATOM 0 HG3 LYS A 64 4.974 -12.036 -4.107 1.00 73.21 H new ATOM 0 HD2 LYS A 64 6.647 -11.619 -5.675 1.00 44.15 H new ATOM 0 HD3 LYS A 64 7.486 -12.431 -4.368 1.00 44.15 H new ATOM 0 HE2 LYS A 64 6.596 -13.754 -6.960 1.00 50.33 H new ATOM 0 HE3 LYS A 64 8.217 -13.179 -6.628 1.00 50.33 H new ATOM 0 HZ1 LYS A 64 8.269 -15.444 -6.239 1.00 25.42 H new ATOM 0 HZ2 LYS A 64 8.185 -14.768 -4.684 1.00 25.42 H new ATOM 0 HZ3 LYS A 64 6.799 -15.449 -5.390 1.00 25.42 H new ATOM 898 N LYS A 65 6.287 -14.970 -0.486 1.00 62.14 N ATOM 899 CA LYS A 65 6.356 -16.026 0.510 1.00 34.30 C ATOM 900 C LYS A 65 5.657 -15.617 1.802 1.00 2.43 C ATOM 901 O LYS A 65 5.272 -16.489 2.576 1.00 23.10 O ATOM 902 CB LYS A 65 7.819 -16.436 0.812 1.00 22.31 C ATOM 903 CG LYS A 65 8.487 -17.319 -0.252 1.00 5.53 C ATOM 904 CD LYS A 65 9.298 -16.489 -1.251 1.00 53.12 C ATOM 905 CE LYS A 65 10.747 -16.215 -0.830 1.00 21.41 C ATOM 906 NZ LYS A 65 11.650 -17.381 -0.829 1.00 32.24 N ATOM 0 H LYS A 65 7.195 -14.578 -0.735 1.00 62.14 H new ATOM 0 HA LYS A 65 5.838 -16.888 0.089 1.00 34.30 H new ATOM 0 HB2 LYS A 65 8.414 -15.531 0.935 1.00 22.31 H new ATOM 0 HB3 LYS A 65 7.841 -16.965 1.765 1.00 22.31 H new ATOM 0 HG2 LYS A 65 9.141 -18.043 0.234 1.00 5.53 H new ATOM 0 HG3 LYS A 65 7.724 -17.886 -0.785 1.00 5.53 H new ATOM 0 HD2 LYS A 65 9.304 -17.005 -2.211 1.00 53.12 H new ATOM 0 HD3 LYS A 65 8.792 -15.536 -1.405 1.00 53.12 H new ATOM 0 HE2 LYS A 65 11.162 -15.459 -1.497 1.00 21.41 H new ATOM 0 HE3 LYS A 65 10.739 -15.786 0.172 1.00 21.41 H new ATOM 0 HZ1 LYS A 65 12.601 -17.084 -0.530 1.00 32.24 H new ATOM 0 HZ2 LYS A 65 11.288 -18.100 -0.170 1.00 32.24 H new ATOM 0 HZ3 LYS A 65 11.699 -17.783 -1.787 1.00 32.24 H new ATOM 916 N GLN A 66 5.447 -14.326 2.042 1.00 54.52 N ATOM 917 CA GLN A 66 4.782 -13.833 3.229 1.00 12.23 C ATOM 918 C GLN A 66 3.259 -13.774 3.057 1.00 30.04 C ATOM 919 O GLN A 66 2.563 -13.463 4.026 1.00 44.45 O ATOM 920 CB GLN A 66 5.381 -12.471 3.599 1.00 33.32 C ATOM 921 CG GLN A 66 6.635 -12.626 4.477 1.00 65.41 C ATOM 922 CD GLN A 66 7.885 -13.064 3.721 1.00 45.25 C ATOM 923 OE1 GLN A 66 8.148 -14.249 3.514 1.00 34.03 O ATOM 924 NE2 GLN A 66 8.696 -12.098 3.323 1.00 4.32 N ATOM 0 H GLN A 66 5.741 -13.587 1.403 1.00 54.52 H new ATOM 0 HA GLN A 66 4.952 -14.529 4.050 1.00 12.23 H new ATOM 0 HB2 GLN A 66 5.637 -11.926 2.690 1.00 33.32 H new ATOM 0 HB3 GLN A 66 4.636 -11.877 4.128 1.00 33.32 H new ATOM 0 HG2 GLN A 66 6.838 -11.675 4.970 1.00 65.41 H new ATOM 0 HG3 GLN A 66 6.426 -13.353 5.261 1.00 65.41 H new ATOM 0 HE21 GLN A 66 8.457 -11.123 3.506 1.00 4.32 H new ATOM 0 HE22 GLN A 66 9.561 -12.328 2.833 1.00 4.32 H new ATOM 931 N GLY A 67 2.727 -14.107 1.877 1.00 31.43 N ATOM 932 CA GLY A 67 1.301 -14.107 1.601 1.00 1.14 C ATOM 933 C GLY A 67 0.899 -12.813 0.918 1.00 31.32 C ATOM 934 O GLY A 67 0.190 -12.006 1.514 1.00 64.44 O ATOM 0 H GLY A 67 3.293 -14.388 1.076 1.00 31.43 H new ATOM 0 HA2 GLY A 67 1.046 -14.956 0.967 1.00 1.14 H new ATOM 0 HA3 GLY A 67 0.743 -14.225 2.530 1.00 1.14 H new ATOM 938 N THR A 68 1.389 -12.549 -0.294 1.00 71.34 N ATOM 939 CA THR A 68 1.053 -11.321 -1.027 1.00 53.33 C ATOM 940 C THR A 68 0.854 -11.579 -2.535 1.00 1.32 C ATOM 941 O THR A 68 1.299 -12.602 -3.054 1.00 72.33 O ATOM 942 CB THR A 68 2.168 -10.303 -0.732 1.00 50.14 C ATOM 943 OG1 THR A 68 2.370 -10.226 0.666 1.00 42.53 O ATOM 944 CG2 THR A 68 1.861 -8.877 -1.186 1.00 51.34 C ATOM 0 H THR A 68 2.024 -13.171 -0.794 1.00 71.34 H new ATOM 0 HA THR A 68 0.094 -10.924 -0.694 1.00 53.33 H new ATOM 0 HB THR A 68 3.035 -10.664 -1.285 1.00 50.14 H new ATOM 0 HG1 THR A 68 3.195 -10.699 0.904 1.00 42.53 H new ATOM 0 HG21 THR A 68 2.701 -8.228 -0.938 1.00 51.34 H new ATOM 0 HG22 THR A 68 1.699 -8.865 -2.264 1.00 51.34 H new ATOM 0 HG23 THR A 68 0.964 -8.519 -0.680 1.00 51.34 H new ATOM 952 N THR A 69 0.206 -10.646 -3.243 1.00 5.14 N ATOM 953 CA THR A 69 0.002 -10.611 -4.692 1.00 12.51 C ATOM 954 C THR A 69 0.282 -9.189 -5.204 1.00 3.54 C ATOM 955 O THR A 69 0.390 -8.254 -4.399 1.00 34.24 O ATOM 956 CB THR A 69 -1.432 -11.054 -5.050 1.00 5.54 C ATOM 957 OG1 THR A 69 -2.393 -10.326 -4.311 1.00 5.24 O ATOM 958 CG2 THR A 69 -1.625 -12.544 -4.780 1.00 52.35 C ATOM 0 H THR A 69 -0.218 -9.840 -2.784 1.00 5.14 H new ATOM 0 HA THR A 69 0.690 -11.306 -5.173 1.00 12.51 H new ATOM 0 HB THR A 69 -1.573 -10.855 -6.112 1.00 5.54 H new ATOM 0 HG1 THR A 69 -3.292 -10.626 -4.559 1.00 5.24 H new ATOM 0 HG21 THR A 69 -2.644 -12.832 -5.040 1.00 52.35 H new ATOM 0 HG22 THR A 69 -0.921 -13.117 -5.383 1.00 52.35 H new ATOM 0 HG23 THR A 69 -1.449 -12.748 -3.724 1.00 52.35 H new ATOM 966 N LEU A 70 0.391 -9.007 -6.528 1.00 44.15 N ATOM 967 CA LEU A 70 0.690 -7.701 -7.118 1.00 71.22 C ATOM 968 C LEU A 70 -0.423 -6.691 -6.840 1.00 11.12 C ATOM 969 O LEU A 70 -0.159 -5.502 -6.656 1.00 65.25 O ATOM 970 CB LEU A 70 0.921 -7.876 -8.624 1.00 65.14 C ATOM 971 CG LEU A 70 1.349 -6.609 -9.382 1.00 54.15 C ATOM 972 CD1 LEU A 70 2.616 -5.984 -8.797 1.00 24.21 C ATOM 973 CD2 LEU A 70 1.607 -6.974 -10.848 1.00 63.05 C ATOM 0 H LEU A 70 0.275 -9.755 -7.211 1.00 44.15 H new ATOM 0 HA LEU A 70 1.594 -7.302 -6.659 1.00 71.22 H new ATOM 0 HB2 LEU A 70 1.684 -8.640 -8.770 1.00 65.14 H new ATOM 0 HB3 LEU A 70 0.002 -8.253 -9.073 1.00 65.14 H new ATOM 0 HG LEU A 70 0.545 -5.878 -9.292 1.00 54.15 H new ATOM 0 HD11 LEU A 70 2.878 -5.092 -9.366 1.00 24.21 H new ATOM 0 HD12 LEU A 70 2.440 -5.712 -7.756 1.00 24.21 H new ATOM 0 HD13 LEU A 70 3.434 -6.702 -8.851 1.00 24.21 H new ATOM 0 HD21 LEU A 70 1.912 -6.083 -11.397 1.00 63.05 H new ATOM 0 HD22 LEU A 70 2.398 -7.722 -10.903 1.00 63.05 H new ATOM 0 HD23 LEU A 70 0.695 -7.377 -11.288 1.00 63.05 H new ATOM 984 N GLU A 71 -1.661 -7.176 -6.729 1.00 50.45 N ATOM 985 CA GLU A 71 -2.827 -6.382 -6.365 1.00 11.10 C ATOM 986 C GLU A 71 -2.648 -5.674 -5.019 1.00 53.33 C ATOM 987 O GLU A 71 -3.181 -4.580 -4.835 1.00 33.42 O ATOM 988 CB GLU A 71 -4.053 -7.299 -6.275 1.00 13.31 C ATOM 989 CG GLU A 71 -4.717 -7.581 -7.637 1.00 72.41 C ATOM 990 CD GLU A 71 -6.209 -7.214 -7.721 1.00 73.13 C ATOM 991 OE1 GLU A 71 -6.882 -6.981 -6.693 1.00 5.33 O ATOM 992 OE2 GLU A 71 -6.745 -7.212 -8.853 1.00 10.10 O ATOM 0 H GLU A 71 -1.882 -8.158 -6.895 1.00 50.45 H new ATOM 0 HA GLU A 71 -2.959 -5.621 -7.134 1.00 11.10 H new ATOM 0 HB2 GLU A 71 -3.756 -8.245 -5.823 1.00 13.31 H new ATOM 0 HB3 GLU A 71 -4.787 -6.845 -5.610 1.00 13.31 H new ATOM 0 HG2 GLU A 71 -4.179 -7.030 -8.408 1.00 72.41 H new ATOM 0 HG3 GLU A 71 -4.605 -8.641 -7.866 1.00 72.41 H new ATOM 997 N MET A 72 -1.924 -6.281 -4.074 1.00 51.42 N ATOM 998 CA MET A 72 -1.669 -5.651 -2.787 1.00 44.23 C ATOM 999 C MET A 72 -0.707 -4.484 -3.007 1.00 13.12 C ATOM 1000 O MET A 72 -0.963 -3.372 -2.562 1.00 22.41 O ATOM 1001 CB MET A 72 -1.074 -6.670 -1.798 1.00 10.42 C ATOM 1002 CG MET A 72 -1.906 -6.837 -0.521 1.00 4.53 C ATOM 1003 SD MET A 72 -3.503 -7.675 -0.706 1.00 30.11 S ATOM 1004 CE MET A 72 -2.945 -9.343 -1.168 1.00 13.23 C ATOM 0 H MET A 72 -1.507 -7.206 -4.181 1.00 51.42 H new ATOM 0 HA MET A 72 -2.602 -5.284 -2.359 1.00 44.23 H new ATOM 0 HB2 MET A 72 -0.985 -7.637 -2.294 1.00 10.42 H new ATOM 0 HB3 MET A 72 -0.066 -6.356 -1.527 1.00 10.42 H new ATOM 0 HG2 MET A 72 -1.311 -7.391 0.205 1.00 4.53 H new ATOM 0 HG3 MET A 72 -2.085 -5.849 -0.098 1.00 4.53 H new ATOM 0 HE1 MET A 72 -3.372 -9.615 -2.133 1.00 13.23 H new ATOM 0 HE2 MET A 72 -1.857 -9.357 -1.236 1.00 13.23 H new ATOM 0 HE3 MET A 72 -3.270 -10.058 -0.412 1.00 13.23 H new ATOM 1012 N ILE A 73 0.422 -4.742 -3.666 1.00 34.32 N ATOM 1013 CA ILE A 73 1.517 -3.791 -3.780 1.00 64.14 C ATOM 1014 C ILE A 73 1.043 -2.543 -4.513 1.00 4.30 C ATOM 1015 O ILE A 73 1.299 -1.430 -4.052 1.00 43.24 O ATOM 1016 CB ILE A 73 2.717 -4.474 -4.465 1.00 12.14 C ATOM 1017 CG1 ILE A 73 3.139 -5.758 -3.718 1.00 2.11 C ATOM 1018 CG2 ILE A 73 3.912 -3.522 -4.607 1.00 1.11 C ATOM 1019 CD1 ILE A 73 3.408 -5.582 -2.217 1.00 63.42 C ATOM 0 H ILE A 73 0.600 -5.628 -4.139 1.00 34.32 H new ATOM 0 HA ILE A 73 1.849 -3.468 -2.793 1.00 64.14 H new ATOM 0 HB ILE A 73 2.389 -4.752 -5.467 1.00 12.14 H new ATOM 0 HG12 ILE A 73 2.357 -6.507 -3.845 1.00 2.11 H new ATOM 0 HG13 ILE A 73 4.039 -6.154 -4.188 1.00 2.11 H new ATOM 0 HG21 ILE A 73 4.736 -4.043 -5.095 1.00 1.11 H new ATOM 0 HG22 ILE A 73 3.621 -2.660 -5.208 1.00 1.11 H new ATOM 0 HG23 ILE A 73 4.229 -3.186 -3.620 1.00 1.11 H new ATOM 0 HD11 ILE A 73 3.697 -6.540 -1.784 1.00 63.42 H new ATOM 0 HD12 ILE A 73 4.213 -4.861 -2.074 1.00 63.42 H new ATOM 0 HD13 ILE A 73 2.505 -5.220 -1.726 1.00 63.42 H new ATOM 1030 N THR A 74 0.327 -2.734 -5.614 1.00 52.13 N ATOM 1031 CA THR A 74 -0.256 -1.660 -6.393 1.00 25.42 C ATOM 1032 C THR A 74 -1.209 -0.826 -5.531 1.00 62.35 C ATOM 1033 O THR A 74 -1.110 0.400 -5.529 1.00 61.42 O ATOM 1034 CB THR A 74 -0.927 -2.245 -7.646 1.00 44.15 C ATOM 1035 OG1 THR A 74 -1.745 -3.354 -7.333 1.00 54.34 O ATOM 1036 CG2 THR A 74 0.128 -2.722 -8.648 1.00 42.15 C ATOM 0 H THR A 74 0.134 -3.661 -5.994 1.00 52.13 H new ATOM 0 HA THR A 74 0.522 -0.976 -6.731 1.00 25.42 H new ATOM 0 HB THR A 74 -1.536 -1.448 -8.072 1.00 44.15 H new ATOM 0 HG1 THR A 74 -1.188 -4.154 -7.234 1.00 54.34 H new ATOM 0 HG21 THR A 74 -0.366 -3.133 -9.528 1.00 42.15 H new ATOM 0 HG22 THR A 74 0.756 -1.881 -8.943 1.00 42.15 H new ATOM 0 HG23 THR A 74 0.746 -3.492 -8.186 1.00 42.15 H new ATOM 1044 N ALA A 75 -2.060 -1.467 -4.719 1.00 42.44 N ATOM 1045 CA ALA A 75 -3.044 -0.734 -3.930 1.00 53.41 C ATOM 1046 C ALA A 75 -2.388 0.191 -2.894 1.00 22.33 C ATOM 1047 O ALA A 75 -2.991 1.202 -2.518 1.00 43.44 O ATOM 1048 CB ALA A 75 -4.013 -1.712 -3.258 1.00 52.51 C ATOM 0 H ALA A 75 -2.083 -2.479 -4.596 1.00 42.44 H new ATOM 0 HA ALA A 75 -3.603 -0.093 -4.612 1.00 53.41 H new ATOM 0 HB1 ALA A 75 -4.744 -1.155 -2.671 1.00 52.51 H new ATOM 0 HB2 ALA A 75 -4.529 -2.295 -4.021 1.00 52.51 H new ATOM 0 HB3 ALA A 75 -3.457 -2.383 -2.603 1.00 52.51 H new ATOM 1054 N TRP A 76 -1.173 -0.140 -2.434 1.00 72.43 N ATOM 1055 CA TRP A 76 -0.443 0.663 -1.463 1.00 21.41 C ATOM 1056 C TRP A 76 0.526 1.652 -2.104 1.00 25.21 C ATOM 1057 O TRP A 76 0.795 2.665 -1.459 1.00 43.54 O ATOM 1058 CB TRP A 76 0.276 -0.225 -0.438 1.00 25.04 C ATOM 1059 CG TRP A 76 -0.650 -0.853 0.560 1.00 23.23 C ATOM 1060 CD1 TRP A 76 -1.247 -2.055 0.430 1.00 61.43 C ATOM 1061 CD2 TRP A 76 -1.201 -0.276 1.784 1.00 32.20 C ATOM 1062 NE1 TRP A 76 -2.135 -2.255 1.460 1.00 73.31 N ATOM 1063 CE2 TRP A 76 -2.143 -1.196 2.333 1.00 53.11 C ATOM 1064 CE3 TRP A 76 -1.051 0.957 2.454 1.00 43.41 C ATOM 1065 CZ2 TRP A 76 -2.905 -0.908 3.473 1.00 41.53 C ATOM 1066 CZ3 TRP A 76 -1.792 1.254 3.614 1.00 53.52 C ATOM 1067 CH2 TRP A 76 -2.720 0.322 4.119 1.00 5.40 C ATOM 0 H TRP A 76 -0.673 -0.978 -2.731 1.00 72.43 H new ATOM 0 HA TRP A 76 -1.191 1.261 -0.942 1.00 21.41 H new ATOM 0 HB2 TRP A 76 0.817 -1.011 -0.965 1.00 25.04 H new ATOM 0 HB3 TRP A 76 1.018 0.372 0.092 1.00 25.04 H new ATOM 0 HD1 TRP A 76 -1.055 -2.758 -0.367 1.00 61.43 H new ATOM 0 HE1 TRP A 76 -2.716 -3.087 1.563 1.00 73.31 H new ATOM 0 HE3 TRP A 76 -0.354 1.687 2.070 1.00 43.41 H new ATOM 0 HZ2 TRP A 76 -3.623 -1.622 3.848 1.00 41.53 H new ATOM 0 HZ3 TRP A 76 -1.649 2.198 4.118 1.00 53.52 H new ATOM 0 HH2 TRP A 76 -3.290 0.556 5.006 1.00 5.40 H new ATOM 1077 N GLN A 77 1.076 1.431 -3.309 1.00 52.14 N ATOM 1078 CA GLN A 77 1.991 2.404 -3.863 1.00 50.42 C ATOM 1079 C GLN A 77 1.148 3.630 -4.212 1.00 32.03 C ATOM 1080 O GLN A 77 1.457 4.733 -3.767 1.00 64.30 O ATOM 1081 CB GLN A 77 2.722 1.863 -5.097 1.00 33.15 C ATOM 1082 CG GLN A 77 1.924 1.606 -6.362 1.00 5.44 C ATOM 1083 CD GLN A 77 2.767 1.026 -7.473 1.00 10.35 C ATOM 1084 OE1 GLN A 77 2.976 -0.177 -7.555 1.00 74.13 O ATOM 1085 NE2 GLN A 77 3.280 1.885 -8.331 1.00 41.21 N ATOM 0 H GLN A 77 0.902 0.612 -3.891 1.00 52.14 H new ATOM 0 HA GLN A 77 2.773 2.651 -3.145 1.00 50.42 H new ATOM 0 HB2 GLN A 77 3.517 2.566 -5.345 1.00 33.15 H new ATOM 0 HB3 GLN A 77 3.202 0.926 -4.813 1.00 33.15 H new ATOM 0 HG2 GLN A 77 1.105 0.923 -6.138 1.00 5.44 H new ATOM 0 HG3 GLN A 77 1.476 2.540 -6.701 1.00 5.44 H new ATOM 0 HE21 GLN A 77 3.085 2.881 -8.233 1.00 41.21 H new ATOM 0 HE22 GLN A 77 3.872 1.553 -9.093 1.00 41.21 H new ATOM 1092 N ASP A 78 0.039 3.403 -4.926 1.00 22.24 N ATOM 1093 CA ASP A 78 -0.826 4.400 -5.527 1.00 50.42 C ATOM 1094 C ASP A 78 -1.479 5.234 -4.440 1.00 24.23 C ATOM 1095 O ASP A 78 -1.704 6.429 -4.627 1.00 62.13 O ATOM 1096 CB ASP A 78 -1.894 3.700 -6.380 1.00 11.45 C ATOM 1097 CG ASP A 78 -1.534 3.708 -7.863 1.00 61.41 C ATOM 1098 OD1 ASP A 78 -0.452 3.198 -8.221 1.00 14.33 O ATOM 1099 OD2 ASP A 78 -2.336 4.197 -8.693 1.00 45.34 O ATOM 0 H ASP A 78 -0.291 2.454 -5.105 1.00 22.24 H new ATOM 0 HA ASP A 78 -0.238 5.059 -6.166 1.00 50.42 H new ATOM 0 HB2 ASP A 78 -2.012 2.671 -6.041 1.00 11.45 H new ATOM 0 HB3 ASP A 78 -2.855 4.195 -6.237 1.00 11.45 H new ATOM 1103 N PHE A 79 -1.713 4.623 -3.277 1.00 51.30 N ATOM 1104 CA PHE A 79 -2.152 5.309 -2.079 1.00 13.54 C ATOM 1105 C PHE A 79 -1.174 6.432 -1.746 1.00 14.52 C ATOM 1106 O PHE A 79 -1.560 7.598 -1.676 1.00 74.12 O ATOM 1107 CB PHE A 79 -2.298 4.303 -0.932 1.00 63.41 C ATOM 1108 CG PHE A 79 -2.821 4.906 0.349 1.00 54.20 C ATOM 1109 CD1 PHE A 79 -4.204 5.096 0.528 1.00 1.53 C ATOM 1110 CD2 PHE A 79 -1.923 5.291 1.359 1.00 23.35 C ATOM 1111 CE1 PHE A 79 -4.685 5.668 1.718 1.00 52.44 C ATOM 1112 CE2 PHE A 79 -2.403 5.876 2.542 1.00 43.22 C ATOM 1113 CZ PHE A 79 -3.783 6.067 2.720 1.00 52.30 C ATOM 0 H PHE A 79 -1.598 3.618 -3.148 1.00 51.30 H new ATOM 0 HA PHE A 79 -3.130 5.763 -2.240 1.00 13.54 H new ATOM 0 HB2 PHE A 79 -2.969 3.504 -1.246 1.00 63.41 H new ATOM 0 HB3 PHE A 79 -1.328 3.846 -0.737 1.00 63.41 H new ATOM 0 HD1 PHE A 79 -4.895 4.802 -0.248 1.00 1.53 H new ATOM 0 HD2 PHE A 79 -0.862 5.137 1.225 1.00 23.35 H new ATOM 0 HE1 PHE A 79 -5.747 5.801 1.863 1.00 52.44 H new ATOM 0 HE2 PHE A 79 -1.711 6.179 3.314 1.00 43.22 H new ATOM 0 HZ PHE A 79 -4.152 6.521 3.628 1.00 52.30 H new ATOM 1122 N TYR A 80 0.102 6.091 -1.566 1.00 43.21 N ATOM 1123 CA TYR A 80 1.116 7.067 -1.205 1.00 73.33 C ATOM 1124 C TYR A 80 1.470 8.007 -2.370 1.00 22.14 C ATOM 1125 O TYR A 80 1.939 9.118 -2.114 1.00 4.44 O ATOM 1126 CB TYR A 80 2.354 6.352 -0.651 1.00 34.25 C ATOM 1127 CG TYR A 80 2.126 5.569 0.633 1.00 61.23 C ATOM 1128 CD1 TYR A 80 1.653 6.196 1.802 1.00 4.44 C ATOM 1129 CD2 TYR A 80 2.357 4.185 0.642 1.00 30.45 C ATOM 1130 CE1 TYR A 80 1.337 5.435 2.943 1.00 34.13 C ATOM 1131 CE2 TYR A 80 2.033 3.413 1.770 1.00 41.50 C ATOM 1132 CZ TYR A 80 1.505 4.032 2.923 1.00 45.32 C ATOM 1133 OH TYR A 80 1.237 3.279 4.025 1.00 54.42 O ATOM 0 H TYR A 80 0.454 5.139 -1.666 1.00 43.21 H new ATOM 0 HA TYR A 80 0.704 7.706 -0.424 1.00 73.33 H new ATOM 0 HB2 TYR A 80 2.731 5.669 -1.412 1.00 34.25 H new ATOM 0 HB3 TYR A 80 3.133 7.093 -0.473 1.00 34.25 H new ATOM 0 HD1 TYR A 80 1.532 7.269 1.823 1.00 4.44 H new ATOM 0 HD2 TYR A 80 2.788 3.709 -0.226 1.00 30.45 H new ATOM 0 HE1 TYR A 80 0.967 5.923 3.833 1.00 34.13 H new ATOM 0 HE2 TYR A 80 2.188 2.344 1.755 1.00 41.50 H new ATOM 0 HH TYR A 80 0.524 2.639 3.818 1.00 54.42 H new ATOM 1142 N GLU A 81 1.262 7.613 -3.634 1.00 11.31 N ATOM 1143 CA GLU A 81 1.466 8.475 -4.809 1.00 3.44 C ATOM 1144 C GLU A 81 0.575 9.721 -4.707 1.00 63.23 C ATOM 1145 O GLU A 81 1.057 10.835 -4.918 1.00 61.04 O ATOM 1146 CB GLU A 81 1.261 7.698 -6.133 1.00 32.13 C ATOM 1147 CG GLU A 81 2.401 6.681 -6.372 1.00 21.23 C ATOM 1148 CD GLU A 81 2.233 5.734 -7.576 1.00 74.10 C ATOM 1149 OE1 GLU A 81 1.609 6.126 -8.593 1.00 11.12 O ATOM 1150 OE2 GLU A 81 2.842 4.642 -7.549 1.00 25.43 O ATOM 0 H GLU A 81 0.943 6.674 -3.873 1.00 11.31 H new ATOM 0 HA GLU A 81 2.503 8.811 -4.821 1.00 3.44 H new ATOM 0 HB2 GLU A 81 0.305 7.175 -6.106 1.00 32.13 H new ATOM 0 HB3 GLU A 81 1.217 8.400 -6.966 1.00 32.13 H new ATOM 0 HG2 GLU A 81 3.331 7.234 -6.500 1.00 21.23 H new ATOM 0 HG3 GLU A 81 2.512 6.075 -5.473 1.00 21.23 H new ATOM 1155 N GLN A 82 -0.679 9.563 -4.274 1.00 61.32 N ATOM 1156 CA GLN A 82 -1.607 10.690 -4.157 1.00 30.25 C ATOM 1157 C GLN A 82 -1.197 11.688 -3.074 1.00 52.32 C ATOM 1158 O GLN A 82 -1.565 12.860 -3.153 1.00 53.22 O ATOM 1159 CB GLN A 82 -3.049 10.220 -3.906 1.00 3.24 C ATOM 1160 CG GLN A 82 -3.661 9.441 -5.072 1.00 1.11 C ATOM 1161 CD GLN A 82 -3.457 10.133 -6.417 1.00 64.12 C ATOM 1162 OE1 GLN A 82 -3.790 11.300 -6.592 1.00 10.35 O ATOM 1163 NE2 GLN A 82 -2.883 9.459 -7.395 1.00 50.14 N ATOM 0 H GLN A 82 -1.075 8.664 -3.999 1.00 61.32 H new ATOM 0 HA GLN A 82 -1.563 11.203 -5.118 1.00 30.25 H new ATOM 0 HB2 GLN A 82 -3.066 9.593 -3.015 1.00 3.24 H new ATOM 0 HB3 GLN A 82 -3.672 11.089 -3.696 1.00 3.24 H new ATOM 0 HG2 GLN A 82 -3.219 8.445 -5.110 1.00 1.11 H new ATOM 0 HG3 GLN A 82 -4.728 9.309 -4.895 1.00 1.11 H new ATOM 0 HE21 GLN A 82 -2.605 8.488 -7.251 1.00 50.14 H new ATOM 0 HE22 GLN A 82 -2.717 9.909 -8.295 1.00 50.14 H new ATOM 1170 N GLU A 83 -0.424 11.254 -2.081 1.00 62.34 N ATOM 1171 CA GLU A 83 0.036 12.117 -1.011 1.00 64.01 C ATOM 1172 C GLU A 83 1.047 13.102 -1.598 1.00 45.50 C ATOM 1173 O GLU A 83 1.062 14.274 -1.236 1.00 14.11 O ATOM 1174 CB GLU A 83 0.707 11.285 0.092 1.00 5.53 C ATOM 1175 CG GLU A 83 -0.092 10.078 0.614 1.00 5.11 C ATOM 1176 CD GLU A 83 -1.198 10.469 1.589 1.00 74.23 C ATOM 1177 OE1 GLU A 83 -0.890 10.609 2.798 1.00 33.44 O ATOM 1178 OE2 GLU A 83 -2.368 10.630 1.184 1.00 30.35 O ATOM 0 H GLU A 83 -0.101 10.290 -2.001 1.00 62.34 H new ATOM 0 HA GLU A 83 -0.809 12.650 -0.574 1.00 64.01 H new ATOM 0 HB2 GLU A 83 1.664 10.925 -0.285 1.00 5.53 H new ATOM 0 HB3 GLU A 83 0.923 11.943 0.934 1.00 5.53 H new ATOM 0 HG2 GLU A 83 -0.531 9.548 -0.231 1.00 5.11 H new ATOM 0 HG3 GLU A 83 0.589 9.384 1.106 1.00 5.11 H new ATOM 1183 N GLN A 84 1.906 12.634 -2.507 1.00 3.53 N ATOM 1184 CA GLN A 84 2.969 13.455 -3.060 1.00 62.12 C ATOM 1185 C GLN A 84 2.380 14.558 -3.919 1.00 72.31 C ATOM 1186 O GLN A 84 2.727 15.723 -3.735 1.00 22.21 O ATOM 1187 CB GLN A 84 3.928 12.598 -3.887 1.00 41.52 C ATOM 1188 CG GLN A 84 4.817 11.753 -2.979 1.00 14.31 C ATOM 1189 CD GLN A 84 5.154 10.444 -3.661 1.00 14.41 C ATOM 1190 OE1 GLN A 84 4.406 9.403 -3.367 1.00 13.34 O flip ATOM 1191 NE2 GLN A 84 6.112 10.331 -4.414 1.00 34.35 N flip ATOM 0 H GLN A 84 1.879 11.682 -2.873 1.00 3.53 H new ATOM 0 HA GLN A 84 3.526 13.906 -2.239 1.00 62.12 H new ATOM 0 HB2 GLN A 84 3.360 11.949 -4.554 1.00 41.52 H new ATOM 0 HB3 GLN A 84 4.546 13.239 -4.515 1.00 41.52 H new ATOM 0 HG2 GLN A 84 5.732 12.296 -2.743 1.00 14.31 H new ATOM 0 HG3 GLN A 84 4.308 11.561 -2.034 1.00 14.31 H new ATOM 0 HE21 GLN A 84 6.686 11.145 -4.635 1.00 34.35 H new ATOM 0 HE22 GLN A 84 6.337 9.423 -4.820 1.00 34.35 H new ATOM 1198 N GLN A 85 1.496 14.191 -4.853 1.00 32.13 N ATOM 1199 CA GLN A 85 0.980 15.153 -5.810 1.00 22.42 C ATOM 1200 C GLN A 85 0.284 16.311 -5.103 1.00 12.12 C ATOM 1201 O GLN A 85 0.520 17.470 -5.459 1.00 10.41 O ATOM 1202 CB GLN A 85 0.156 14.473 -6.923 1.00 1.33 C ATOM 1203 CG GLN A 85 -1.111 13.708 -6.501 1.00 62.10 C ATOM 1204 CD GLN A 85 -2.356 14.565 -6.257 1.00 70.00 C ATOM 1205 OE1 GLN A 85 -2.349 15.782 -6.409 1.00 4.21 O ATOM 1206 NE2 GLN A 85 -3.462 13.946 -5.897 1.00 54.43 N ATOM 0 H GLN A 85 1.131 13.244 -4.960 1.00 32.13 H new ATOM 0 HA GLN A 85 1.818 15.607 -6.340 1.00 22.42 H new ATOM 0 HB2 GLN A 85 -0.137 15.239 -7.641 1.00 1.33 H new ATOM 0 HB3 GLN A 85 0.810 13.777 -7.449 1.00 1.33 H new ATOM 0 HG2 GLN A 85 -1.344 12.974 -7.273 1.00 62.10 H new ATOM 0 HG3 GLN A 85 -0.891 13.153 -5.589 1.00 62.10 H new ATOM 0 HE21 GLN A 85 -3.462 12.934 -5.772 1.00 54.43 H new ATOM 0 HE22 GLN A 85 -4.318 14.479 -5.743 1.00 54.43 H new ATOM 1213 N ARG A 86 -0.516 16.029 -4.069 1.00 70.11 N ATOM 1214 CA ARG A 86 -1.227 17.079 -3.358 1.00 13.21 C ATOM 1215 C ARG A 86 -0.267 17.922 -2.521 1.00 50.53 C ATOM 1216 O ARG A 86 -0.477 19.134 -2.421 1.00 71.24 O ATOM 1217 CB ARG A 86 -2.375 16.483 -2.527 1.00 52.21 C ATOM 1218 CG ARG A 86 -1.884 15.692 -1.321 1.00 11.13 C ATOM 1219 CD ARG A 86 -3.000 15.121 -0.453 1.00 10.54 C ATOM 1220 NE ARG A 86 -2.441 14.751 0.857 1.00 73.04 N ATOM 1221 CZ ARG A 86 -2.846 13.746 1.630 1.00 64.10 C ATOM 1222 NH1 ARG A 86 -4.037 13.194 1.440 1.00 63.22 N ATOM 1223 NH2 ARG A 86 -2.035 13.302 2.587 1.00 53.31 N ATOM 0 H ARG A 86 -0.682 15.088 -3.713 1.00 70.11 H new ATOM 0 HA ARG A 86 -1.677 17.755 -4.085 1.00 13.21 H new ATOM 0 HB2 ARG A 86 -3.027 17.288 -2.187 1.00 52.21 H new ATOM 0 HB3 ARG A 86 -2.977 15.832 -3.162 1.00 52.21 H new ATOM 0 HG2 ARG A 86 -1.254 14.873 -1.669 1.00 11.13 H new ATOM 0 HG3 ARG A 86 -1.256 16.338 -0.708 1.00 11.13 H new ATOM 0 HD2 ARG A 86 -3.796 15.856 -0.330 1.00 10.54 H new ATOM 0 HD3 ARG A 86 -3.443 14.249 -0.934 1.00 10.54 H new ATOM 0 HE ARG A 86 -1.669 15.319 1.206 1.00 73.04 H new ATOM 0 HH11 ARG A 86 -4.647 13.539 0.699 1.00 63.22 H new ATOM 0 HH12 ARG A 86 -4.343 12.424 2.035 1.00 63.22 H new ATOM 0 HH21 ARG A 86 -1.119 13.731 2.719 1.00 53.31 H new ATOM 0 HH22 ARG A 86 -2.329 12.533 3.189 1.00 53.31 H new ATOM 1234 N ASN A 87 0.730 17.311 -1.869 1.00 62.20 N ATOM 1235 CA ASN A 87 1.590 17.968 -0.907 1.00 23.35 C ATOM 1236 C ASN A 87 3.021 17.435 -1.018 1.00 24.01 C ATOM 1237 O ASN A 87 3.373 16.397 -0.459 1.00 42.21 O ATOM 1238 CB ASN A 87 0.984 17.970 0.512 1.00 13.31 C ATOM 1239 CG ASN A 87 0.574 16.669 1.214 1.00 33.25 C ATOM 1240 OD1 ASN A 87 -0.476 16.587 1.849 1.00 13.53 O ATOM 1241 ND2 ASN A 87 1.354 15.618 1.183 1.00 44.52 N ATOM 0 H ASN A 87 0.957 16.326 -2.006 1.00 62.20 H new ATOM 0 HA ASN A 87 1.659 19.029 -1.149 1.00 23.35 H new ATOM 0 HB2 ASN A 87 1.704 18.467 1.162 1.00 13.31 H new ATOM 0 HB3 ASN A 87 0.097 18.603 0.476 1.00 13.31 H new ATOM 0 HD21 ASN A 87 1.083 14.767 1.676 1.00 44.52 H new ATOM 0 HD22 ASN A 87 2.233 15.650 0.666 1.00 44.52 H new ATOM 1247 N GLU A 88 3.870 18.175 -1.730 1.00 50.12 N ATOM 1248 CA GLU A 88 5.250 17.809 -2.075 1.00 53.23 C ATOM 1249 C GLU A 88 6.188 17.654 -0.861 1.00 30.33 C ATOM 1250 O GLU A 88 7.362 17.315 -1.034 1.00 33.45 O ATOM 1251 CB GLU A 88 5.806 18.883 -3.028 1.00 70.23 C ATOM 1252 CG GLU A 88 5.236 18.777 -4.452 1.00 4.41 C ATOM 1253 CD GLU A 88 5.989 17.797 -5.359 1.00 2.54 C ATOM 1254 OE1 GLU A 88 6.668 16.865 -4.863 1.00 2.31 O ATOM 1255 OE2 GLU A 88 5.941 17.983 -6.602 1.00 4.13 O ATOM 0 H GLU A 88 3.606 19.088 -2.100 1.00 50.12 H new ATOM 0 HA GLU A 88 5.215 16.826 -2.544 1.00 53.23 H new ATOM 0 HB2 GLU A 88 5.580 19.870 -2.625 1.00 70.23 H new ATOM 0 HB3 GLU A 88 6.892 18.796 -3.070 1.00 70.23 H new ATOM 0 HG2 GLU A 88 4.192 18.470 -4.391 1.00 4.41 H new ATOM 0 HG3 GLU A 88 5.251 19.765 -4.912 1.00 4.41 H new ATOM 1260 N ASN A 89 5.721 17.871 0.372 1.00 24.41 N ATOM 1261 CA ASN A 89 6.545 17.911 1.584 1.00 62.24 C ATOM 1262 C ASN A 89 6.302 16.664 2.443 1.00 2.43 C ATOM 1263 O ASN A 89 6.249 16.769 3.669 1.00 71.41 O ATOM 1264 CB ASN A 89 6.273 19.204 2.375 1.00 23.05 C ATOM 1265 CG ASN A 89 6.521 20.461 1.557 1.00 5.35 C ATOM 1266 OD1 ASN A 89 7.631 20.709 1.098 1.00 45.20 O ATOM 1267 ND2 ASN A 89 5.496 21.265 1.331 1.00 2.12 N ATOM 0 H ASN A 89 4.731 18.028 0.560 1.00 24.41 H new ATOM 0 HA ASN A 89 7.596 17.912 1.295 1.00 62.24 H new ATOM 0 HB2 ASN A 89 5.240 19.201 2.723 1.00 23.05 H new ATOM 0 HB3 ASN A 89 6.907 19.222 3.261 1.00 23.05 H new ATOM 0 HD21 ASN A 89 5.622 22.106 0.768 1.00 2.12 H new ATOM 0 HD22 ASN A 89 4.579 21.044 1.720 1.00 2.12 H new ATOM 1273 N ASN A 90 6.112 15.485 1.841 1.00 2.32 N ATOM 1274 CA ASN A 90 5.598 14.303 2.535 1.00 41.22 C ATOM 1275 C ASN A 90 6.456 13.077 2.224 1.00 34.02 C ATOM 1276 O ASN A 90 6.008 12.124 1.578 1.00 51.50 O ATOM 1277 CB ASN A 90 4.120 14.139 2.146 1.00 70.11 C ATOM 1278 CG ASN A 90 3.192 13.452 3.137 1.00 4.24 C ATOM 1279 OD1 ASN A 90 2.050 13.173 2.789 1.00 41.24 O ATOM 1280 ND2 ASN A 90 3.562 13.204 4.383 1.00 11.15 N ATOM 0 H ASN A 90 6.312 15.325 0.854 1.00 2.32 H new ATOM 0 HA ASN A 90 5.655 14.421 3.617 1.00 41.22 H new ATOM 0 HB2 ASN A 90 3.716 15.131 1.943 1.00 70.11 H new ATOM 0 HB3 ASN A 90 4.081 13.581 1.210 1.00 70.11 H new ATOM 0 HD21 ASN A 90 2.901 12.787 5.038 1.00 11.15 H new ATOM 0 HD22 ASN A 90 4.509 13.430 4.689 1.00 11.15 H new ATOM 1286 N PRO A 91 7.709 13.074 2.705 1.00 50.12 N ATOM 1287 CA PRO A 91 8.719 12.109 2.302 1.00 25.45 C ATOM 1288 C PRO A 91 8.389 10.695 2.790 1.00 11.52 C ATOM 1289 O PRO A 91 8.791 9.741 2.134 1.00 3.25 O ATOM 1290 CB PRO A 91 10.027 12.610 2.922 1.00 22.04 C ATOM 1291 CG PRO A 91 9.548 13.390 4.145 1.00 71.34 C ATOM 1292 CD PRO A 91 8.259 14.019 3.660 1.00 13.14 C ATOM 0 HA PRO A 91 8.780 12.035 1.216 1.00 25.45 H new ATOM 0 HB2 PRO A 91 10.684 11.786 3.200 1.00 22.04 H new ATOM 0 HB3 PRO A 91 10.585 13.243 2.232 1.00 22.04 H new ATOM 0 HG2 PRO A 91 9.382 12.737 5.001 1.00 71.34 H new ATOM 0 HG3 PRO A 91 10.274 14.142 4.454 1.00 71.34 H new ATOM 0 HD2 PRO A 91 7.569 14.190 4.486 1.00 13.14 H new ATOM 0 HD3 PRO A 91 8.444 14.987 3.194 1.00 13.14 H new ATOM 1297 N THR A 92 7.645 10.546 3.896 1.00 21.43 N ATOM 1298 CA THR A 92 7.147 9.259 4.376 1.00 42.11 C ATOM 1299 C THR A 92 6.426 8.558 3.227 1.00 72.02 C ATOM 1300 O THR A 92 6.866 7.509 2.761 1.00 2.44 O ATOM 1301 CB THR A 92 6.241 9.465 5.607 1.00 24.12 C ATOM 1302 OG1 THR A 92 6.985 10.092 6.641 1.00 51.30 O ATOM 1303 CG2 THR A 92 5.616 8.164 6.110 1.00 53.22 C ATOM 0 H THR A 92 7.371 11.331 4.487 1.00 21.43 H new ATOM 0 HA THR A 92 7.971 8.623 4.700 1.00 42.11 H new ATOM 0 HB THR A 92 5.413 10.105 5.302 1.00 24.12 H new ATOM 0 HG1 THR A 92 6.410 10.225 7.423 1.00 51.30 H new ATOM 0 HG21 THR A 92 4.990 8.373 6.977 1.00 53.22 H new ATOM 0 HG22 THR A 92 5.007 7.724 5.320 1.00 53.22 H new ATOM 0 HG23 THR A 92 6.405 7.467 6.392 1.00 53.22 H new ATOM 1311 N ALA A 93 5.347 9.162 2.726 1.00 5.43 N ATOM 1312 CA ALA A 93 4.599 8.625 1.608 1.00 2.25 C ATOM 1313 C ALA A 93 5.500 8.486 0.385 1.00 50.41 C ATOM 1314 O ALA A 93 5.498 7.429 -0.244 1.00 10.34 O ATOM 1315 CB ALA A 93 3.412 9.542 1.318 1.00 1.45 C ATOM 0 H ALA A 93 4.974 10.038 3.091 1.00 5.43 H new ATOM 0 HA ALA A 93 4.226 7.631 1.856 1.00 2.25 H new ATOM 0 HB1 ALA A 93 2.843 9.145 0.477 1.00 1.45 H new ATOM 0 HB2 ALA A 93 2.770 9.596 2.198 1.00 1.45 H new ATOM 0 HB3 ALA A 93 3.775 10.540 1.072 1.00 1.45 H new ATOM 1321 N LYS A 94 6.310 9.507 0.075 1.00 64.21 N ATOM 1322 CA LYS A 94 7.195 9.460 -1.089 1.00 22.44 C ATOM 1323 C LYS A 94 8.022 8.183 -1.149 1.00 2.55 C ATOM 1324 O LYS A 94 7.953 7.461 -2.143 1.00 31.24 O ATOM 1325 CB LYS A 94 8.055 10.724 -1.174 1.00 45.13 C ATOM 1326 CG LYS A 94 8.843 10.760 -2.490 1.00 24.12 C ATOM 1327 CD LYS A 94 9.106 12.186 -2.977 1.00 72.14 C ATOM 1328 CE LYS A 94 9.910 13.088 -2.037 1.00 24.45 C ATOM 1329 NZ LYS A 94 9.943 14.481 -2.535 1.00 43.53 N ATOM 0 H LYS A 94 6.368 10.371 0.614 1.00 64.21 H new ATOM 0 HA LYS A 94 6.562 9.436 -1.976 1.00 22.44 H new ATOM 0 HB2 LYS A 94 7.420 11.607 -1.101 1.00 45.13 H new ATOM 0 HB3 LYS A 94 8.745 10.757 -0.331 1.00 45.13 H new ATOM 0 HG2 LYS A 94 9.794 10.245 -2.354 1.00 24.12 H new ATOM 0 HG3 LYS A 94 8.291 10.214 -3.255 1.00 24.12 H new ATOM 0 HD2 LYS A 94 9.632 12.130 -3.930 1.00 72.14 H new ATOM 0 HD3 LYS A 94 8.146 12.664 -3.171 1.00 72.14 H new ATOM 0 HE2 LYS A 94 9.469 13.065 -1.040 1.00 24.45 H new ATOM 0 HE3 LYS A 94 10.927 12.707 -1.944 1.00 24.45 H new ATOM 0 HZ1 LYS A 94 10.494 15.071 -1.879 1.00 43.53 H new ATOM 0 HZ2 LYS A 94 10.385 14.503 -3.476 1.00 43.53 H new ATOM 0 HZ3 LYS A 94 8.973 14.849 -2.600 1.00 43.53 H new ATOM 1339 N TYR A 95 8.791 7.890 -0.105 1.00 51.10 N ATOM 1340 CA TYR A 95 9.639 6.716 -0.102 1.00 71.40 C ATOM 1341 C TYR A 95 8.808 5.432 -0.182 1.00 11.13 C ATOM 1342 O TYR A 95 9.184 4.527 -0.924 1.00 54.14 O ATOM 1343 CB TYR A 95 10.556 6.737 1.119 1.00 4.44 C ATOM 1344 CG TYR A 95 11.648 7.788 1.086 1.00 2.13 C ATOM 1345 CD1 TYR A 95 12.611 7.762 0.058 1.00 1.33 C ATOM 1346 CD2 TYR A 95 11.740 8.757 2.105 1.00 30.11 C ATOM 1347 CE1 TYR A 95 13.668 8.686 0.055 1.00 13.15 C ATOM 1348 CE2 TYR A 95 12.803 9.673 2.124 1.00 71.00 C ATOM 1349 CZ TYR A 95 13.784 9.624 1.111 1.00 73.33 C ATOM 1350 OH TYR A 95 14.842 10.472 1.159 1.00 4.52 O ATOM 0 H TYR A 95 8.840 8.451 0.745 1.00 51.10 H new ATOM 0 HA TYR A 95 10.269 6.733 -0.991 1.00 71.40 H new ATOM 0 HB2 TYR A 95 9.947 6.896 2.009 1.00 4.44 H new ATOM 0 HB3 TYR A 95 11.020 5.756 1.222 1.00 4.44 H new ATOM 0 HD1 TYR A 95 12.536 7.028 -0.731 1.00 1.33 H new ATOM 0 HD2 TYR A 95 10.986 8.795 2.878 1.00 30.11 H new ATOM 0 HE1 TYR A 95 14.390 8.682 -0.749 1.00 13.15 H new ATOM 0 HE2 TYR A 95 12.870 10.411 2.909 1.00 71.00 H new ATOM 0 HH TYR A 95 14.764 11.048 1.948 1.00 4.52 H new ATOM 1359 N ARG A 96 7.675 5.332 0.529 1.00 5.55 N ATOM 1360 CA ARG A 96 6.800 4.162 0.442 1.00 23.15 C ATOM 1361 C ARG A 96 6.301 3.939 -0.983 1.00 14.44 C ATOM 1362 O ARG A 96 6.402 2.815 -1.458 1.00 25.22 O ATOM 1363 CB ARG A 96 5.598 4.290 1.386 1.00 42.44 C ATOM 1364 CG ARG A 96 5.945 4.298 2.872 1.00 22.14 C ATOM 1365 CD ARG A 96 4.679 4.366 3.724 1.00 45.21 C ATOM 1366 NE ARG A 96 4.981 4.418 5.163 1.00 32.21 N ATOM 1367 CZ ARG A 96 4.219 4.969 6.113 1.00 45.31 C ATOM 1368 NH1 ARG A 96 3.147 5.694 5.816 1.00 50.31 N ATOM 1369 NH2 ARG A 96 4.522 4.787 7.388 1.00 4.21 N ATOM 0 H ARG A 96 7.346 6.052 1.172 1.00 5.55 H new ATOM 0 HA ARG A 96 7.398 3.302 0.744 1.00 23.15 H new ATOM 0 HB2 ARG A 96 5.064 5.210 1.148 1.00 42.44 H new ATOM 0 HB3 ARG A 96 4.913 3.464 1.192 1.00 42.44 H new ATOM 0 HG2 ARG A 96 6.510 3.400 3.123 1.00 22.14 H new ATOM 0 HG3 ARG A 96 6.586 5.151 3.096 1.00 22.14 H new ATOM 0 HD2 ARG A 96 4.101 5.247 3.444 1.00 45.21 H new ATOM 0 HD3 ARG A 96 4.056 3.496 3.516 1.00 45.21 H new ATOM 0 HE ARG A 96 5.857 3.992 5.465 1.00 32.21 H new ATOM 0 HH11 ARG A 96 2.886 5.843 4.841 1.00 50.31 H new ATOM 0 HH12 ARG A 96 2.584 6.102 6.563 1.00 50.31 H new ATOM 0 HH21 ARG A 96 5.335 4.227 7.644 1.00 4.21 H new ATOM 0 HH22 ARG A 96 3.942 5.206 8.115 1.00 4.21 H new ATOM 1380 N ALA A 97 5.786 4.973 -1.659 1.00 30.23 N ATOM 1381 CA ALA A 97 5.323 4.886 -3.038 1.00 53.41 C ATOM 1382 C ALA A 97 6.462 4.383 -3.910 1.00 24.15 C ATOM 1383 O ALA A 97 6.320 3.350 -4.552 1.00 32.33 O ATOM 1384 CB ALA A 97 4.865 6.257 -3.540 1.00 45.23 C ATOM 0 H ALA A 97 5.680 5.903 -1.253 1.00 30.23 H new ATOM 0 HA ALA A 97 4.478 4.199 -3.087 1.00 53.41 H new ATOM 0 HB1 ALA A 97 4.523 6.171 -4.571 1.00 45.23 H new ATOM 0 HB2 ALA A 97 4.048 6.619 -2.916 1.00 45.23 H new ATOM 0 HB3 ALA A 97 5.697 6.959 -3.491 1.00 45.23 H new ATOM 1390 N ARG A 98 7.598 5.091 -3.907 1.00 12.34 N ATOM 1391 CA ARG A 98 8.730 4.817 -4.782 1.00 11.44 C ATOM 1392 C ARG A 98 9.239 3.389 -4.595 1.00 62.33 C ATOM 1393 O ARG A 98 9.692 2.758 -5.547 1.00 73.11 O ATOM 1394 CB ARG A 98 9.815 5.866 -4.485 1.00 13.22 C ATOM 1395 CG ARG A 98 10.619 6.283 -5.714 1.00 34.25 C ATOM 1396 CD ARG A 98 11.395 7.561 -5.363 1.00 5.21 C ATOM 1397 NE ARG A 98 12.092 8.133 -6.519 1.00 54.14 N ATOM 1398 CZ ARG A 98 11.665 9.150 -7.283 1.00 64.11 C ATOM 1399 NH1 ARG A 98 10.501 9.765 -7.066 1.00 73.33 N ATOM 1400 NH2 ARG A 98 12.430 9.555 -8.286 1.00 65.31 N ATOM 0 H ARG A 98 7.753 5.883 -3.283 1.00 12.34 H new ATOM 0 HA ARG A 98 8.431 4.891 -5.828 1.00 11.44 H new ATOM 0 HB2 ARG A 98 9.345 6.749 -4.053 1.00 13.22 H new ATOM 0 HB3 ARG A 98 10.497 5.468 -3.734 1.00 13.22 H new ATOM 0 HG2 ARG A 98 11.306 5.489 -6.008 1.00 34.25 H new ATOM 0 HG3 ARG A 98 9.956 6.460 -6.561 1.00 34.25 H new ATOM 0 HD2 ARG A 98 10.705 8.301 -4.957 1.00 5.21 H new ATOM 0 HD3 ARG A 98 12.120 7.338 -4.580 1.00 5.21 H new ATOM 0 HE ARG A 98 12.990 7.717 -6.767 1.00 54.14 H new ATOM 0 HH11 ARG A 98 9.901 9.465 -6.297 1.00 73.33 H new ATOM 0 HH12 ARG A 98 10.211 10.535 -7.669 1.00 73.33 H new ATOM 0 HH21 ARG A 98 13.323 9.095 -8.464 1.00 65.31 H new ATOM 0 HH22 ARG A 98 12.126 10.326 -8.880 1.00 65.31 H new ATOM 1411 N LEU A 99 9.183 2.880 -3.363 1.00 54.50 N ATOM 1412 CA LEU A 99 9.520 1.509 -3.025 1.00 53.50 C ATOM 1413 C LEU A 99 8.497 0.547 -3.624 1.00 21.12 C ATOM 1414 O LEU A 99 8.875 -0.291 -4.433 1.00 71.00 O ATOM 1415 CB LEU A 99 9.654 1.398 -1.500 1.00 12.34 C ATOM 1416 CG LEU A 99 9.903 -0.013 -0.940 1.00 65.30 C ATOM 1417 CD1 LEU A 99 10.997 -0.793 -1.667 1.00 74.34 C ATOM 1418 CD2 LEU A 99 10.322 0.153 0.526 1.00 45.11 C ATOM 0 H LEU A 99 8.893 3.431 -2.555 1.00 54.50 H new ATOM 0 HA LEU A 99 10.479 1.224 -3.458 1.00 53.50 H new ATOM 0 HB2 LEU A 99 10.473 2.043 -1.180 1.00 12.34 H new ATOM 0 HB3 LEU A 99 8.744 1.791 -1.047 1.00 12.34 H new ATOM 0 HG LEU A 99 8.984 -0.585 -1.069 1.00 65.30 H new ATOM 0 HD11 LEU A 99 11.108 -1.776 -1.209 1.00 74.34 H new ATOM 0 HD12 LEU A 99 10.725 -0.910 -2.716 1.00 74.34 H new ATOM 0 HD13 LEU A 99 11.940 -0.251 -1.595 1.00 74.34 H new ATOM 0 HD21 LEU A 99 10.509 -0.827 0.964 1.00 45.11 H new ATOM 0 HD22 LEU A 99 11.230 0.754 0.579 1.00 45.11 H new ATOM 0 HD23 LEU A 99 9.525 0.651 1.078 1.00 45.11 H new ATOM 1429 N MET A 100 7.223 0.652 -3.245 1.00 53.12 N ATOM 1430 CA MET A 100 6.175 -0.267 -3.694 1.00 22.31 C ATOM 1431 C MET A 100 6.068 -0.282 -5.232 1.00 70.45 C ATOM 1432 O MET A 100 6.052 -1.363 -5.811 1.00 64.31 O ATOM 1433 CB MET A 100 4.846 0.059 -2.994 1.00 43.42 C ATOM 1434 CG MET A 100 4.876 -0.075 -1.464 1.00 4.14 C ATOM 1435 SD MET A 100 5.296 -1.699 -0.777 1.00 72.22 S ATOM 1436 CE MET A 100 3.626 -2.321 -0.472 1.00 22.31 C ATOM 0 H MET A 100 6.887 1.380 -2.615 1.00 53.12 H new ATOM 0 HA MET A 100 6.442 -1.284 -3.406 1.00 22.31 H new ATOM 0 HB2 MET A 100 4.557 1.078 -3.250 1.00 43.42 H new ATOM 0 HB3 MET A 100 4.072 -0.600 -3.388 1.00 43.42 H new ATOM 0 HG2 MET A 100 5.592 0.650 -1.076 1.00 4.14 H new ATOM 0 HG3 MET A 100 3.896 0.209 -1.082 1.00 4.14 H new ATOM 0 HE1 MET A 100 3.657 -3.404 -0.354 1.00 22.31 H new ATOM 0 HE2 MET A 100 3.229 -1.868 0.437 1.00 22.31 H new ATOM 0 HE3 MET A 100 2.983 -2.066 -1.315 1.00 22.31 H new ATOM 1444 N LYS A 101 6.154 0.877 -5.897 1.00 52.12 N ATOM 1445 CA LYS A 101 6.364 1.028 -7.340 1.00 23.45 C ATOM 1446 C LYS A 101 7.448 0.091 -7.866 1.00 50.51 C ATOM 1447 O LYS A 101 7.178 -0.692 -8.767 1.00 51.41 O ATOM 1448 CB LYS A 101 6.689 2.512 -7.607 1.00 52.40 C ATOM 1449 CG LYS A 101 7.034 2.903 -9.052 1.00 70.31 C ATOM 1450 CD LYS A 101 5.810 2.928 -9.965 1.00 31.05 C ATOM 1451 CE LYS A 101 6.149 3.545 -11.322 1.00 12.12 C ATOM 1452 NZ LYS A 101 4.984 3.480 -12.223 1.00 34.14 N ATOM 0 H LYS A 101 6.075 1.775 -5.421 1.00 52.12 H new ATOM 0 HA LYS A 101 5.462 0.743 -7.881 1.00 23.45 H new ATOM 0 HB2 LYS A 101 5.833 3.108 -7.290 1.00 52.40 H new ATOM 0 HB3 LYS A 101 7.528 2.795 -6.971 1.00 52.40 H new ATOM 0 HG2 LYS A 101 7.505 3.886 -9.055 1.00 70.31 H new ATOM 0 HG3 LYS A 101 7.764 2.199 -9.450 1.00 70.31 H new ATOM 0 HD2 LYS A 101 5.437 1.914 -10.106 1.00 31.05 H new ATOM 0 HD3 LYS A 101 5.011 3.499 -9.492 1.00 31.05 H new ATOM 0 HE2 LYS A 101 6.457 4.582 -11.190 1.00 12.12 H new ATOM 0 HE3 LYS A 101 6.992 3.017 -11.768 1.00 12.12 H new ATOM 0 HZ1 LYS A 101 5.231 3.903 -13.140 1.00 34.14 H new ATOM 0 HZ2 LYS A 101 4.708 2.487 -12.363 1.00 34.14 H new ATOM 0 HZ3 LYS A 101 4.190 4.004 -11.802 1.00 34.14 H new ATOM 1462 N LYS A 102 8.670 0.156 -7.335 1.00 64.02 N ATOM 1463 CA LYS A 102 9.746 -0.724 -7.774 1.00 4.42 C ATOM 1464 C LYS A 102 9.456 -2.197 -7.491 1.00 64.21 C ATOM 1465 O LYS A 102 9.921 -3.042 -8.251 1.00 54.42 O ATOM 1466 CB LYS A 102 11.065 -0.321 -7.122 1.00 31.32 C ATOM 1467 CG LYS A 102 11.714 0.888 -7.813 1.00 73.11 C ATOM 1468 CD LYS A 102 13.240 0.777 -7.738 1.00 65.10 C ATOM 1469 CE LYS A 102 13.832 -0.136 -8.827 1.00 72.00 C ATOM 1470 NZ LYS A 102 13.808 0.478 -10.174 1.00 11.13 N ATOM 0 H LYS A 102 8.936 0.811 -6.600 1.00 64.02 H new ATOM 0 HA LYS A 102 9.821 -0.610 -8.855 1.00 4.42 H new ATOM 0 HB2 LYS A 102 10.891 -0.086 -6.072 1.00 31.32 H new ATOM 0 HB3 LYS A 102 11.754 -1.165 -7.150 1.00 31.32 H new ATOM 0 HG2 LYS A 102 11.395 0.937 -8.854 1.00 73.11 H new ATOM 0 HG3 LYS A 102 11.384 1.811 -7.335 1.00 73.11 H new ATOM 0 HD2 LYS A 102 13.676 1.772 -7.830 1.00 65.10 H new ATOM 0 HD3 LYS A 102 13.523 0.394 -6.758 1.00 65.10 H new ATOM 0 HE2 LYS A 102 14.861 -0.384 -8.565 1.00 72.00 H new ATOM 0 HE3 LYS A 102 13.274 -1.072 -8.851 1.00 72.00 H new ATOM 0 HZ1 LYS A 102 14.265 -0.162 -10.855 1.00 11.13 H new ATOM 0 HZ2 LYS A 102 12.823 0.644 -10.462 1.00 11.13 H new ATOM 0 HZ3 LYS A 102 14.320 1.383 -10.152 1.00 11.13 H new ATOM 1480 N ILE A 103 8.740 -2.531 -6.420 1.00 72.33 N ATOM 1481 CA ILE A 103 8.374 -3.911 -6.125 1.00 63.43 C ATOM 1482 C ILE A 103 7.421 -4.409 -7.223 1.00 44.14 C ATOM 1483 O ILE A 103 7.592 -5.531 -7.688 1.00 10.54 O ATOM 1484 CB ILE A 103 7.818 -4.004 -4.681 1.00 22.43 C ATOM 1485 CG1 ILE A 103 8.931 -3.644 -3.666 1.00 44.32 C ATOM 1486 CG2 ILE A 103 7.260 -5.396 -4.341 1.00 42.41 C ATOM 1487 CD1 ILE A 103 8.447 -3.471 -2.222 1.00 50.35 C ATOM 0 H ILE A 103 8.399 -1.855 -5.736 1.00 72.33 H new ATOM 0 HA ILE A 103 9.236 -4.578 -6.142 1.00 63.43 H new ATOM 0 HB ILE A 103 6.992 -3.296 -4.617 1.00 22.43 H new ATOM 0 HG12 ILE A 103 9.692 -4.424 -3.689 1.00 44.32 H new ATOM 0 HG13 ILE A 103 9.412 -2.720 -3.987 1.00 44.32 H new ATOM 0 HG21 ILE A 103 6.886 -5.398 -3.317 1.00 42.41 H new ATOM 0 HG22 ILE A 103 6.447 -5.639 -5.025 1.00 42.41 H new ATOM 0 HG23 ILE A 103 8.051 -6.139 -4.439 1.00 42.41 H new ATOM 0 HD11 ILE A 103 9.293 -3.220 -1.582 1.00 50.35 H new ATOM 0 HD12 ILE A 103 7.710 -2.669 -2.179 1.00 50.35 H new ATOM 0 HD13 ILE A 103 7.994 -4.400 -1.876 1.00 50.35 H new ATOM 1498 N ALA A 104 6.470 -3.584 -7.670 1.00 11.22 N ATOM 1499 CA ALA A 104 5.570 -3.889 -8.780 1.00 24.40 C ATOM 1500 C ALA A 104 6.247 -3.841 -10.157 1.00 25.24 C ATOM 1501 O ALA A 104 5.651 -4.257 -11.148 1.00 63.44 O ATOM 1502 CB ALA A 104 4.410 -2.888 -8.747 1.00 34.02 C ATOM 0 H ALA A 104 6.303 -2.665 -7.259 1.00 11.22 H new ATOM 0 HA ALA A 104 5.226 -4.915 -8.647 1.00 24.40 H new ATOM 0 HB1 ALA A 104 3.725 -3.098 -9.568 1.00 34.02 H new ATOM 0 HB2 ALA A 104 3.879 -2.978 -7.799 1.00 34.02 H new ATOM 0 HB3 ALA A 104 4.800 -1.875 -8.850 1.00 34.02 H new ATOM 1508 N ASP A 105 7.458 -3.299 -10.249 1.00 70.12 N ATOM 1509 CA ASP A 105 8.256 -3.238 -11.474 1.00 43.25 C ATOM 1510 C ASP A 105 8.981 -4.568 -11.613 1.00 10.24 C ATOM 1511 O ASP A 105 8.803 -5.318 -12.569 1.00 73.01 O ATOM 1512 CB ASP A 105 9.250 -2.073 -11.368 1.00 44.33 C ATOM 1513 CG ASP A 105 10.029 -1.770 -12.644 1.00 72.42 C ATOM 1514 OD1 ASP A 105 10.596 -2.682 -13.286 1.00 4.50 O ATOM 1515 OD2 ASP A 105 10.175 -0.557 -12.921 1.00 61.22 O ATOM 0 H ASP A 105 7.928 -2.876 -9.448 1.00 70.12 H new ATOM 0 HA ASP A 105 7.632 -3.069 -12.352 1.00 43.25 H new ATOM 0 HB2 ASP A 105 8.705 -1.177 -11.072 1.00 44.33 H new ATOM 0 HB3 ASP A 105 9.960 -2.293 -10.571 1.00 44.33 H new ATOM 1519 N LEU A 106 9.755 -4.882 -10.577 1.00 24.22 N ATOM 1520 CA LEU A 106 10.575 -6.066 -10.421 1.00 50.14 C ATOM 1521 C LEU A 106 9.735 -7.255 -9.944 1.00 21.20 C ATOM 1522 O LEU A 106 10.279 -8.158 -9.308 1.00 64.34 O ATOM 1523 CB LEU A 106 11.700 -5.717 -9.431 1.00 12.42 C ATOM 1524 CG LEU A 106 12.672 -4.611 -9.868 1.00 72.24 C ATOM 1525 CD1 LEU A 106 13.365 -4.074 -8.618 1.00 5.21 C ATOM 1526 CD2 LEU A 106 13.722 -5.143 -10.848 1.00 34.01 C ATOM 0 H LEU A 106 9.826 -4.265 -9.768 1.00 24.22 H new ATOM 0 HA LEU A 106 11.007 -6.368 -11.375 1.00 50.14 H new ATOM 0 HB2 LEU A 106 11.244 -5.419 -8.487 1.00 12.42 H new ATOM 0 HB3 LEU A 106 12.276 -6.621 -9.235 1.00 12.42 H new ATOM 0 HG LEU A 106 12.115 -3.824 -10.377 1.00 72.24 H new ATOM 0 HD11 LEU A 106 14.063 -3.285 -8.899 1.00 5.21 H new ATOM 0 HD12 LEU A 106 12.619 -3.671 -7.933 1.00 5.21 H new ATOM 0 HD13 LEU A 106 13.909 -4.882 -8.128 1.00 5.21 H new ATOM 0 HD21 LEU A 106 14.393 -4.334 -11.137 1.00 34.01 H new ATOM 0 HD22 LEU A 106 14.295 -5.938 -10.371 1.00 34.01 H new ATOM 0 HD23 LEU A 106 13.226 -5.536 -11.735 1.00 34.01 H new ATOM 1537 N TRP A 107 8.426 -7.251 -10.198 1.00 51.21 N ATOM 1538 CA TRP A 107 7.565 -8.394 -9.913 1.00 12.42 C ATOM 1539 C TRP A 107 7.986 -9.590 -10.761 1.00 13.12 C ATOM 1540 O TRP A 107 7.683 -10.720 -10.327 1.00 43.23 O ATOM 1541 CB TRP A 107 6.073 -8.026 -10.063 1.00 30.03 C ATOM 1542 CG TRP A 107 5.100 -8.887 -9.295 1.00 21.11 C ATOM 1543 CD1 TRP A 107 4.112 -9.663 -9.808 1.00 3.21 C ATOM 1544 CD2 TRP A 107 4.902 -8.938 -7.847 1.00 41.24 C ATOM 1545 NE1 TRP A 107 3.435 -10.299 -8.794 1.00 54.51 N ATOM 1546 CE2 TRP A 107 3.856 -9.864 -7.556 1.00 43.32 C ATOM 1547 CE3 TRP A 107 5.464 -8.234 -6.762 1.00 61.14 C ATOM 1548 CZ2 TRP A 107 3.398 -10.084 -6.247 1.00 33.04 C ATOM 1549 CZ3 TRP A 107 4.943 -8.379 -5.463 1.00 31.24 C ATOM 1550 CH2 TRP A 107 3.877 -9.267 -5.216 1.00 33.10 C ATOM 0 H TRP A 107 7.935 -6.455 -10.607 1.00 51.21 H new ATOM 0 HA TRP A 107 7.688 -8.686 -8.870 1.00 12.42 H new ATOM 0 HB2 TRP A 107 5.941 -6.991 -9.747 1.00 30.03 H new ATOM 0 HB3 TRP A 107 5.812 -8.072 -11.120 1.00 30.03 H new ATOM 0 HD1 TRP A 107 3.890 -9.766 -10.860 1.00 3.21 H new ATOM 0 HE1 TRP A 107 2.712 -11.004 -8.940 1.00 54.51 H new ATOM 0 HE3 TRP A 107 6.304 -7.576 -6.930 1.00 61.14 H new ATOM 0 HZ2 TRP A 107 2.688 -10.871 -6.039 1.00 33.04 H new ATOM 0 HZ3 TRP A 107 5.363 -7.806 -4.650 1.00 31.24 H new ATOM 0 HH2 TRP A 107 3.431 -9.317 -4.234 1.00 33.10 H new