USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 871 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.46 K(o=-1.5,f=-6.8!) USER MOD Single : A 17 ASN : amide:sc= -0.289 K(o=-0.29,f=-4!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.723 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= -0.187 (180deg=-0.852) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -142:sc= -0.107 (180deg=-1.04) USER MOD Single : A 58 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.92) USER MOD Single : A 61 ASN : amide:sc= -1.22! C(o=-1.2!,f=-1.6!) USER MOD Single : A 65 GLN : amide:sc= -0.879 K(o=-0.88,f=-4.6!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 91:sc= 0.202 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 39:sc= 0.516 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 104 GLN : amide:sc= -1.67! C(o=-1.7!,f=-2!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.0592 K(o=0.059,f=-2.9!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.397 45.885 13.866 1.00 0.00 N ATOM 2 CA GLY A 1 -3.114 45.236 13.668 1.00 0.00 C ATOM 3 C GLY A 1 -3.239 43.919 12.929 1.00 0.00 C ATOM 4 O GLY A 1 -3.174 42.850 13.536 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.258 46.781 14.375 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.835 46.076 12.943 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.018 45.263 14.422 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.456 45.902 13.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.645 45.063 14.636 1.00 0.00 H new ATOM 8 N SER A 2 -3.421 43.995 11.614 1.00 0.00 N ATOM 9 CA SER A 2 -3.561 42.799 10.792 1.00 0.00 C ATOM 10 C SER A 2 -2.592 42.833 9.614 1.00 0.00 C ATOM 11 O SER A 2 -2.421 43.866 8.966 1.00 0.00 O ATOM 12 CB SER A 2 -4.997 42.671 10.281 1.00 0.00 C ATOM 13 OG SER A 2 -5.820 42.019 11.233 1.00 0.00 O ATOM 0 H SER A 2 -3.475 44.872 11.096 1.00 0.00 H new ATOM 0 HA SER A 2 -3.324 41.933 11.411 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.399 43.661 10.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.005 42.112 9.345 1.00 0.00 H new ATOM 0 HG SER A 2 -6.733 41.951 10.884 1.00 0.00 H new ATOM 19 N SER A 3 -1.959 41.696 9.343 1.00 0.00 N ATOM 20 CA SER A 3 -1.004 41.595 8.246 1.00 0.00 C ATOM 21 C SER A 3 -1.713 41.259 6.937 1.00 0.00 C ATOM 22 O SER A 3 -1.782 40.098 6.536 1.00 0.00 O ATOM 23 CB SER A 3 0.051 40.531 8.556 1.00 0.00 C ATOM 24 OG SER A 3 0.994 40.426 7.503 1.00 0.00 O ATOM 0 H SER A 3 -2.090 40.832 9.868 1.00 0.00 H new ATOM 0 HA SER A 3 -0.513 42.562 8.135 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.564 40.783 9.484 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.434 39.567 8.711 1.00 0.00 H new ATOM 0 HG SER A 3 1.658 39.741 7.726 1.00 0.00 H new ATOM 30 N GLY A 4 -2.239 42.286 6.276 1.00 0.00 N ATOM 31 CA GLY A 4 -2.936 42.080 5.019 1.00 0.00 C ATOM 32 C GLY A 4 -4.244 41.335 5.197 1.00 0.00 C ATOM 33 O GLY A 4 -4.424 40.608 6.174 1.00 0.00 O ATOM 0 H GLY A 4 -2.195 43.256 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.132 43.046 4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.293 41.522 4.338 1.00 0.00 H new ATOM 37 N SER A 5 -5.160 41.517 4.252 1.00 0.00 N ATOM 38 CA SER A 5 -6.461 40.861 4.312 1.00 0.00 C ATOM 39 C SER A 5 -6.605 39.837 3.189 1.00 0.00 C ATOM 40 O SER A 5 -6.311 40.126 2.029 1.00 0.00 O ATOM 41 CB SER A 5 -7.583 41.896 4.220 1.00 0.00 C ATOM 42 OG SER A 5 -7.781 42.316 2.881 1.00 0.00 O ATOM 0 H SER A 5 -5.026 42.113 3.435 1.00 0.00 H new ATOM 0 HA SER A 5 -6.534 40.341 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.507 41.471 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.340 42.757 4.842 1.00 0.00 H new ATOM 0 HG SER A 5 -8.505 42.976 2.849 1.00 0.00 H new ATOM 48 N SER A 6 -7.060 38.640 3.543 1.00 0.00 N ATOM 49 CA SER A 6 -7.240 37.571 2.568 1.00 0.00 C ATOM 50 C SER A 6 -8.627 36.948 2.695 1.00 0.00 C ATOM 51 O SER A 6 -9.162 36.816 3.794 1.00 0.00 O ATOM 52 CB SER A 6 -6.167 36.497 2.752 1.00 0.00 C ATOM 53 OG SER A 6 -5.934 35.795 1.544 1.00 0.00 O ATOM 0 H SER A 6 -7.311 38.386 4.498 1.00 0.00 H new ATOM 0 HA SER A 6 -7.144 38.002 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.240 36.959 3.092 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.478 35.798 3.528 1.00 0.00 H new ATOM 0 HG SER A 6 -5.243 35.116 1.689 1.00 0.00 H new ATOM 59 N GLY A 7 -9.203 36.566 1.559 1.00 0.00 N ATOM 60 CA GLY A 7 -10.523 35.961 1.564 1.00 0.00 C ATOM 61 C GLY A 7 -10.527 34.584 2.197 1.00 0.00 C ATOM 62 O GLY A 7 -9.659 34.244 3.001 1.00 0.00 O ATOM 0 H GLY A 7 -8.780 36.664 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.214 36.608 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.890 35.888 0.540 1.00 0.00 H new ATOM 66 N PRO A 8 -11.524 33.764 1.833 1.00 0.00 N ATOM 67 CA PRO A 8 -11.663 32.403 2.360 1.00 0.00 C ATOM 68 C PRO A 8 -10.575 31.468 1.843 1.00 0.00 C ATOM 69 O PRO A 8 -9.880 31.762 0.871 1.00 0.00 O ATOM 70 CB PRO A 8 -13.036 31.962 1.847 1.00 0.00 C ATOM 71 CG PRO A 8 -13.264 32.781 0.624 1.00 0.00 C ATOM 72 CD PRO A 8 -12.594 34.103 0.879 1.00 0.00 C ATOM 0 HA PRO A 8 -11.570 32.375 3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.050 30.896 1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.812 32.138 2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.843 32.294 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.330 32.913 0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.193 34.534 -0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.289 34.832 1.296 1.00 0.00 H new ATOM 80 N PRO A 9 -10.422 30.313 2.507 1.00 0.00 N ATOM 81 CA PRO A 9 -9.421 29.310 2.132 1.00 0.00 C ATOM 82 C PRO A 9 -9.757 28.621 0.814 1.00 0.00 C ATOM 83 O PRO A 9 -10.881 28.161 0.611 1.00 0.00 O ATOM 84 CB PRO A 9 -9.472 28.308 3.287 1.00 0.00 C ATOM 85 CG PRO A 9 -10.843 28.450 3.852 1.00 0.00 C ATOM 86 CD PRO A 9 -11.215 29.896 3.676 1.00 0.00 C ATOM 0 HA PRO A 9 -8.437 29.754 1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.291 27.292 2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.711 28.528 4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.548 27.800 3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.863 28.167 4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.284 30.017 3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.968 30.485 4.560 1.00 0.00 H new ATOM 94 N VAL A 10 -8.775 28.553 -0.080 1.00 0.00 N ATOM 95 CA VAL A 10 -8.967 27.918 -1.379 1.00 0.00 C ATOM 96 C VAL A 10 -7.898 26.862 -1.637 1.00 0.00 C ATOM 97 O VAL A 10 -6.702 27.147 -1.576 1.00 0.00 O ATOM 98 CB VAL A 10 -8.936 28.953 -2.519 1.00 0.00 C ATOM 99 CG1 VAL A 10 -7.512 29.423 -2.776 1.00 0.00 C ATOM 100 CG2 VAL A 10 -9.550 28.371 -3.783 1.00 0.00 C ATOM 0 H VAL A 10 -7.839 28.930 0.071 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.947 27.441 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.529 29.817 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.510 30.154 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.111 29.881 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.893 28.571 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.520 29.116 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.986 27.490 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.585 28.090 -3.589 1.00 0.00 H new ATOM 110 N ILE A 11 -8.338 25.642 -1.926 1.00 0.00 N ATOM 111 CA ILE A 11 -7.419 24.543 -2.195 1.00 0.00 C ATOM 112 C ILE A 11 -6.731 24.719 -3.544 1.00 0.00 C ATOM 113 O ILE A 11 -7.329 24.478 -4.593 1.00 0.00 O ATOM 114 CB ILE A 11 -8.145 23.184 -2.175 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.811 22.957 -0.816 1.00 0.00 C ATOM 116 CG2 ILE A 11 -7.171 22.059 -2.489 1.00 0.00 C ATOM 117 CD1 ILE A 11 -7.889 22.342 0.213 1.00 0.00 C ATOM 0 H ILE A 11 -9.325 25.390 -1.980 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.670 24.557 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.920 23.191 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.180 23.910 -0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.678 22.309 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.699 21.105 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.740 22.217 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.376 22.048 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.428 22.210 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.539 21.373 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.034 22.999 0.375 1.00 0.00 H new ATOM 129 N ARG A 12 -5.471 25.139 -3.509 1.00 0.00 N ATOM 130 CA ARG A 12 -4.701 25.348 -4.729 1.00 0.00 C ATOM 131 C ARG A 12 -4.343 24.015 -5.380 1.00 0.00 C ATOM 132 O ARG A 12 -4.442 23.861 -6.597 1.00 0.00 O ATOM 133 CB ARG A 12 -3.427 26.138 -4.425 1.00 0.00 C ATOM 134 CG ARG A 12 -3.690 27.522 -3.855 1.00 0.00 C ATOM 135 CD ARG A 12 -4.064 28.512 -4.946 1.00 0.00 C ATOM 136 NE ARG A 12 -3.840 29.895 -4.531 1.00 0.00 N ATOM 137 CZ ARG A 12 -3.981 30.937 -5.342 1.00 0.00 C ATOM 138 NH1 ARG A 12 -4.344 30.756 -6.604 1.00 0.00 N ATOM 139 NH2 ARG A 12 -3.759 32.165 -4.890 1.00 0.00 N ATOM 0 H ARG A 12 -4.961 25.341 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.316 25.919 -5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.819 25.573 -3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.843 26.236 -5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.494 27.467 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.802 27.875 -3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.479 28.303 -5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.113 28.379 -5.212 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.560 30.070 -3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.516 29.814 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.451 31.559 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.480 32.309 -3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.867 32.965 -5.513 1.00 0.00 H new ATOM 153 N GLN A 13 -3.925 23.055 -4.560 1.00 0.00 N ATOM 154 CA GLN A 13 -3.551 21.736 -5.057 1.00 0.00 C ATOM 155 C GLN A 13 -3.654 20.690 -3.953 1.00 0.00 C ATOM 156 O GLN A 13 -2.932 20.749 -2.958 1.00 0.00 O ATOM 157 CB GLN A 13 -2.129 21.764 -5.619 1.00 0.00 C ATOM 158 CG GLN A 13 -1.594 20.391 -5.990 1.00 0.00 C ATOM 159 CD GLN A 13 -2.406 19.724 -7.083 1.00 0.00 C ATOM 160 OE1 GLN A 13 -3.637 19.712 -7.037 1.00 0.00 O ATOM 161 NE2 GLN A 13 -1.721 19.166 -8.073 1.00 0.00 N ATOM 0 H GLN A 13 -3.837 23.166 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.243 21.466 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.109 22.403 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.465 22.217 -4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.559 20.485 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.592 19.755 -5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.702 19.200 -8.070 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.214 18.703 -8.837 1.00 0.00 H new ATOM 170 N GLY A 14 -4.558 19.731 -4.134 1.00 0.00 N ATOM 171 CA GLY A 14 -4.739 18.685 -3.145 1.00 0.00 C ATOM 172 C GLY A 14 -4.485 17.302 -3.710 1.00 0.00 C ATOM 173 O GLY A 14 -3.865 17.142 -4.762 1.00 0.00 O ATOM 0 H GLY A 14 -5.168 19.660 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.065 18.861 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.755 18.733 -2.752 1.00 0.00 H new ATOM 177 N PRO A 15 -4.969 16.271 -3.002 1.00 0.00 N ATOM 178 CA PRO A 15 -4.802 14.876 -3.420 1.00 0.00 C ATOM 179 C PRO A 15 -5.626 14.539 -4.658 1.00 0.00 C ATOM 180 O PRO A 15 -6.604 15.219 -4.969 1.00 0.00 O ATOM 181 CB PRO A 15 -5.303 14.081 -2.212 1.00 0.00 C ATOM 182 CG PRO A 15 -6.252 14.999 -1.522 1.00 0.00 C ATOM 183 CD PRO A 15 -5.716 16.388 -1.739 1.00 0.00 C ATOM 0 HA PRO A 15 -3.771 14.654 -3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.797 13.160 -2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.480 13.796 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.258 14.900 -1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.316 14.767 -0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.519 17.122 -1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.071 16.703 -0.918 1.00 0.00 H new ATOM 191 N VAL A 16 -5.224 13.486 -5.362 1.00 0.00 N ATOM 192 CA VAL A 16 -5.927 13.058 -6.566 1.00 0.00 C ATOM 193 C VAL A 16 -6.207 11.559 -6.535 1.00 0.00 C ATOM 194 O VAL A 16 -5.354 10.766 -6.141 1.00 0.00 O ATOM 195 CB VAL A 16 -5.121 13.392 -7.835 1.00 0.00 C ATOM 196 CG1 VAL A 16 -4.883 14.891 -7.938 1.00 0.00 C ATOM 197 CG2 VAL A 16 -3.802 12.633 -7.844 1.00 0.00 C ATOM 0 H VAL A 16 -4.415 12.913 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.872 13.601 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.700 13.080 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.312 15.108 -8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.841 15.409 -7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.325 15.232 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.246 12.881 -8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.216 12.912 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.999 11.561 -7.822 1.00 0.00 H new ATOM 207 N ASN A 17 -7.410 11.180 -6.955 1.00 0.00 N ATOM 208 CA ASN A 17 -7.803 9.775 -6.976 1.00 0.00 C ATOM 209 C ASN A 17 -6.687 8.906 -7.545 1.00 0.00 C ATOM 210 O ASN A 17 -6.361 8.994 -8.729 1.00 0.00 O ATOM 211 CB ASN A 17 -9.078 9.594 -7.802 1.00 0.00 C ATOM 212 CG ASN A 17 -9.727 8.242 -7.576 1.00 0.00 C ATOM 213 OD1 ASN A 17 -9.054 7.267 -7.241 1.00 0.00 O ATOM 214 ND2 ASN A 17 -11.040 8.178 -7.758 1.00 0.00 N ATOM 0 H ASN A 17 -8.128 11.825 -7.285 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.995 9.461 -5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.787 10.381 -7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.841 9.708 -8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.532 7.295 -7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.558 9.012 -8.036 1.00 0.00 H new ATOM 221 N GLN A 18 -6.105 8.066 -6.694 1.00 0.00 N ATOM 222 CA GLN A 18 -5.025 7.181 -7.113 1.00 0.00 C ATOM 223 C GLN A 18 -5.285 5.750 -6.653 1.00 0.00 C ATOM 224 O GLN A 18 -5.973 5.521 -5.658 1.00 0.00 O ATOM 225 CB GLN A 18 -3.689 7.673 -6.557 1.00 0.00 C ATOM 226 CG GLN A 18 -3.678 7.826 -5.044 1.00 0.00 C ATOM 227 CD GLN A 18 -2.471 8.593 -4.543 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.352 8.390 -5.015 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.691 9.481 -3.581 1.00 0.00 N ATOM 0 H GLN A 18 -6.364 7.980 -5.711 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.982 7.191 -8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.904 6.975 -6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.447 8.633 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.586 8.339 -4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.693 6.838 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.635 9.617 -3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.916 10.027 -3.204 1.00 0.00 H new ATOM 238 N THR A 19 -4.731 4.788 -7.385 1.00 0.00 N ATOM 239 CA THR A 19 -4.903 3.380 -7.053 1.00 0.00 C ATOM 240 C THR A 19 -3.663 2.821 -6.364 1.00 0.00 C ATOM 241 O THR A 19 -2.537 3.064 -6.798 1.00 0.00 O ATOM 242 CB THR A 19 -5.201 2.539 -8.309 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.117 3.238 -9.160 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.785 1.187 -7.929 1.00 0.00 C ATOM 0 H THR A 19 -4.159 4.959 -8.212 1.00 0.00 H new ATOM 0 HA THR A 19 -5.752 3.318 -6.373 1.00 0.00 H new ATOM 0 HB THR A 19 -4.264 2.375 -8.841 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.300 2.698 -9.957 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.987 0.611 -8.832 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.074 0.646 -7.305 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.713 1.334 -7.377 1.00 0.00 H new ATOM 252 N VAL A 20 -3.878 2.071 -5.288 1.00 0.00 N ATOM 253 CA VAL A 20 -2.777 1.476 -4.539 1.00 0.00 C ATOM 254 C VAL A 20 -3.023 -0.007 -4.285 1.00 0.00 C ATOM 255 O VAL A 20 -4.165 -0.438 -4.126 1.00 0.00 O ATOM 256 CB VAL A 20 -2.566 2.189 -3.190 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.734 1.325 -2.255 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.910 3.545 -3.401 1.00 0.00 C ATOM 0 H VAL A 20 -4.804 1.861 -4.915 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.880 1.593 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.540 2.350 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.595 1.844 -1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.248 0.380 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.762 1.130 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.769 4.035 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.943 3.410 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.548 4.164 -4.032 1.00 0.00 H new ATOM 268 N ALA A 21 -1.945 -0.783 -4.249 1.00 0.00 N ATOM 269 CA ALA A 21 -2.043 -2.217 -4.011 1.00 0.00 C ATOM 270 C ALA A 21 -2.124 -2.523 -2.519 1.00 0.00 C ATOM 271 O ALA A 21 -1.858 -1.659 -1.683 1.00 0.00 O ATOM 272 CB ALA A 21 -0.859 -2.938 -4.637 1.00 0.00 C ATOM 0 H ALA A 21 -0.993 -0.442 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.960 -2.575 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.945 -4.009 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.849 -2.756 -5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.067 -2.567 -4.197 1.00 0.00 H new ATOM 278 N VAL A 22 -2.492 -3.757 -2.192 1.00 0.00 N ATOM 279 CA VAL A 22 -2.607 -4.177 -0.800 1.00 0.00 C ATOM 280 C VAL A 22 -1.272 -4.046 -0.075 1.00 0.00 C ATOM 281 O VAL A 22 -0.212 -4.270 -0.659 1.00 0.00 O ATOM 282 CB VAL A 22 -3.098 -5.633 -0.691 1.00 0.00 C ATOM 283 CG1 VAL A 22 -2.856 -6.175 0.709 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.570 -5.727 -1.062 1.00 0.00 C ATOM 0 H VAL A 22 -2.716 -4.484 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.339 -3.519 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.530 -6.244 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.209 -7.205 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.789 -6.144 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.396 -5.565 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.901 -6.762 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.156 -5.104 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.710 -5.382 -2.086 1.00 0.00 H new ATOM 294 N ASP A 23 -1.332 -3.684 1.202 1.00 0.00 N ATOM 295 CA ASP A 23 -0.128 -3.525 2.008 1.00 0.00 C ATOM 296 C ASP A 23 0.864 -2.588 1.326 1.00 0.00 C ATOM 297 O ASP A 23 2.070 -2.666 1.559 1.00 0.00 O ATOM 298 CB ASP A 23 0.527 -4.884 2.260 1.00 0.00 C ATOM 299 CG ASP A 23 1.295 -4.924 3.566 1.00 0.00 C ATOM 300 OD1 ASP A 23 2.497 -4.584 3.558 1.00 0.00 O ATOM 301 OD2 ASP A 23 0.695 -5.295 4.596 1.00 0.00 O ATOM 0 H ASP A 23 -2.202 -3.495 1.701 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.417 -3.087 2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.241 -5.658 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.203 -5.116 1.437 1.00 0.00 H new ATOM 306 N GLY A 24 0.347 -1.702 0.480 1.00 0.00 N ATOM 307 CA GLY A 24 1.201 -0.763 -0.224 1.00 0.00 C ATOM 308 C GLY A 24 1.495 0.479 0.593 1.00 0.00 C ATOM 309 O GLY A 24 1.701 0.401 1.804 1.00 0.00 O ATOM 0 H GLY A 24 -0.648 -1.618 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.139 -1.254 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.723 -0.474 -1.160 1.00 0.00 H new ATOM 313 N THR A 25 1.517 1.631 -0.071 1.00 0.00 N ATOM 314 CA THR A 25 1.791 2.895 0.600 1.00 0.00 C ATOM 315 C THR A 25 1.152 4.062 -0.143 1.00 0.00 C ATOM 316 O THR A 25 1.627 4.471 -1.204 1.00 0.00 O ATOM 317 CB THR A 25 3.306 3.148 0.726 1.00 0.00 C ATOM 318 OG1 THR A 25 3.964 1.962 1.184 1.00 0.00 O ATOM 319 CG2 THR A 25 3.585 4.293 1.687 1.00 0.00 C ATOM 0 H THR A 25 1.348 1.714 -1.074 1.00 0.00 H new ATOM 0 HA THR A 25 1.358 2.823 1.598 1.00 0.00 H new ATOM 0 HB THR A 25 3.690 3.419 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.926 2.130 1.260 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.661 4.453 1.760 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.107 5.201 1.320 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.187 4.047 2.672 1.00 0.00 H new ATOM 327 N PHE A 26 0.074 4.597 0.419 1.00 0.00 N ATOM 328 CA PHE A 26 -0.631 5.718 -0.192 1.00 0.00 C ATOM 329 C PHE A 26 -0.602 6.940 0.721 1.00 0.00 C ATOM 330 O PHE A 26 -0.924 6.852 1.906 1.00 0.00 O ATOM 331 CB PHE A 26 -2.079 5.331 -0.500 1.00 0.00 C ATOM 332 CG PHE A 26 -2.965 5.310 0.713 1.00 0.00 C ATOM 333 CD1 PHE A 26 -3.071 4.168 1.490 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.691 6.433 1.076 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.886 4.146 2.606 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.507 6.417 2.192 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.604 5.272 2.958 1.00 0.00 C ATOM 0 H PHE A 26 -0.331 4.272 1.297 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.124 5.970 -1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.488 6.033 -1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.092 4.346 -0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.510 3.285 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.619 7.331 0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.961 3.249 3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.068 7.299 2.464 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.240 5.257 3.831 1.00 0.00 H new ATOM 347 N VAL A 27 -0.214 8.081 0.160 1.00 0.00 N ATOM 348 CA VAL A 27 -0.144 9.323 0.922 1.00 0.00 C ATOM 349 C VAL A 27 -0.944 10.429 0.245 1.00 0.00 C ATOM 350 O VAL A 27 -1.040 10.480 -0.982 1.00 0.00 O ATOM 351 CB VAL A 27 1.313 9.792 1.097 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.005 9.900 -0.253 1.00 0.00 C ATOM 353 CG2 VAL A 27 1.360 11.119 1.838 1.00 0.00 C ATOM 0 H VAL A 27 0.057 8.171 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.573 9.117 1.903 1.00 0.00 H new ATOM 0 HB VAL A 27 1.846 9.051 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.033 10.233 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.004 8.926 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.475 10.619 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.397 11.435 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.812 11.872 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.905 11.003 2.822 1.00 0.00 H new ATOM 363 N LEU A 28 -1.519 11.314 1.052 1.00 0.00 N ATOM 364 CA LEU A 28 -2.312 12.423 0.532 1.00 0.00 C ATOM 365 C LEU A 28 -1.791 13.758 1.054 1.00 0.00 C ATOM 366 O LEU A 28 -1.508 13.903 2.243 1.00 0.00 O ATOM 367 CB LEU A 28 -3.782 12.249 0.918 1.00 0.00 C ATOM 368 CG LEU A 28 -4.331 10.824 0.848 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.604 10.701 1.671 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.587 10.421 -0.597 1.00 0.00 C ATOM 0 H LEU A 28 -1.451 11.285 2.069 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.225 12.421 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.916 12.619 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.385 12.882 0.267 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.586 10.147 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.980 9.680 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.390 10.946 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.356 11.389 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.977 9.404 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.313 11.102 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.654 10.468 -1.159 1.00 0.00 H new ATOM 382 N SER A 29 -1.669 14.731 0.157 1.00 0.00 N ATOM 383 CA SER A 29 -1.181 16.055 0.527 1.00 0.00 C ATOM 384 C SER A 29 -2.199 17.131 0.161 1.00 0.00 C ATOM 385 O SER A 29 -2.721 17.155 -0.954 1.00 0.00 O ATOM 386 CB SER A 29 0.153 16.341 -0.165 1.00 0.00 C ATOM 387 OG SER A 29 0.537 17.694 0.008 1.00 0.00 O ATOM 0 H SER A 29 -1.901 14.628 -0.831 1.00 0.00 H new ATOM 0 HA SER A 29 -1.033 16.073 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.924 15.686 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.070 16.116 -1.228 1.00 0.00 H new ATOM 0 HG SER A 29 1.393 17.851 -0.442 1.00 0.00 H new ATOM 393 N CYS A 30 -2.476 18.021 1.108 1.00 0.00 N ATOM 394 CA CYS A 30 -3.430 19.100 0.888 1.00 0.00 C ATOM 395 C CYS A 30 -2.747 20.461 0.993 1.00 0.00 C ATOM 396 O CYS A 30 -2.172 20.800 2.027 1.00 0.00 O ATOM 397 CB CYS A 30 -4.574 19.012 1.900 1.00 0.00 C ATOM 398 SG CYS A 30 -5.956 20.151 1.562 1.00 0.00 S ATOM 0 H CYS A 30 -2.052 18.016 2.036 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.835 18.993 -0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.954 17.991 1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.181 19.220 2.895 1.00 0.00 H new ATOM 403 N VAL A 31 -2.815 21.236 -0.085 1.00 0.00 N ATOM 404 CA VAL A 31 -2.205 22.560 -0.114 1.00 0.00 C ATOM 405 C VAL A 31 -3.266 23.653 -0.179 1.00 0.00 C ATOM 406 O VAL A 31 -3.935 23.822 -1.198 1.00 0.00 O ATOM 407 CB VAL A 31 -1.252 22.712 -1.314 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.562 24.067 -1.280 1.00 0.00 C ATOM 409 CG2 VAL A 31 -0.230 21.585 -1.329 1.00 0.00 C ATOM 0 H VAL A 31 -3.286 20.970 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.635 22.666 0.809 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.839 22.652 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.107 24.156 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.311 24.858 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.013 24.160 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.435 21.708 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.353 21.610 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.745 20.628 -1.406 1.00 0.00 H new ATOM 419 N ALA A 32 -3.414 24.392 0.915 1.00 0.00 N ATOM 420 CA ALA A 32 -4.392 25.471 0.981 1.00 0.00 C ATOM 421 C ALA A 32 -3.738 26.779 1.415 1.00 0.00 C ATOM 422 O ALA A 32 -2.687 26.777 2.058 1.00 0.00 O ATOM 423 CB ALA A 32 -5.521 25.102 1.932 1.00 0.00 C ATOM 0 H ALA A 32 -2.869 24.263 1.768 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.805 25.616 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.244 25.917 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.014 24.196 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.115 24.928 2.929 1.00 0.00 H new ATOM 429 N THR A 33 -4.366 27.895 1.059 1.00 0.00 N ATOM 430 CA THR A 33 -3.844 29.210 1.410 1.00 0.00 C ATOM 431 C THR A 33 -4.724 29.891 2.452 1.00 0.00 C ATOM 432 O THR A 33 -5.812 29.412 2.769 1.00 0.00 O ATOM 433 CB THR A 33 -3.737 30.121 0.172 1.00 0.00 C ATOM 434 OG1 THR A 33 -3.969 31.484 0.545 1.00 0.00 O ATOM 435 CG2 THR A 33 -4.738 29.704 -0.895 1.00 0.00 C ATOM 0 H THR A 33 -5.237 27.915 0.528 1.00 0.00 H new ATOM 0 HA THR A 33 -2.848 29.054 1.825 1.00 0.00 H new ATOM 0 HB THR A 33 -2.732 30.023 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.898 32.057 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.644 30.362 -1.759 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.540 28.676 -1.198 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.749 29.775 -0.493 1.00 0.00 H new ATOM 443 N GLY A 34 -4.245 31.012 2.983 1.00 0.00 N ATOM 444 CA GLY A 34 -5.002 31.740 3.985 1.00 0.00 C ATOM 445 C GLY A 34 -4.177 32.061 5.215 1.00 0.00 C ATOM 446 O GLY A 34 -3.444 31.210 5.718 1.00 0.00 O ATOM 0 H GLY A 34 -3.347 31.429 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.376 32.667 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.871 31.151 4.278 1.00 0.00 H new ATOM 450 N SER A 35 -4.295 33.293 5.700 1.00 0.00 N ATOM 451 CA SER A 35 -3.550 33.727 6.876 1.00 0.00 C ATOM 452 C SER A 35 -4.491 34.008 8.043 1.00 0.00 C ATOM 453 O SER A 35 -5.421 34.810 7.944 1.00 0.00 O ATOM 454 CB SER A 35 -2.730 34.978 6.554 1.00 0.00 C ATOM 455 OG SER A 35 -1.717 35.187 7.522 1.00 0.00 O ATOM 0 H SER A 35 -4.900 34.008 5.296 1.00 0.00 H new ATOM 0 HA SER A 35 -2.874 32.922 7.164 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.279 34.877 5.567 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.387 35.847 6.517 1.00 0.00 H new ATOM 0 HG SER A 35 -1.206 35.991 7.293 1.00 0.00 H new ATOM 461 N PRO A 36 -4.246 33.334 9.176 1.00 0.00 N ATOM 462 CA PRO A 36 -3.143 32.377 9.305 1.00 0.00 C ATOM 463 C PRO A 36 -3.375 31.111 8.486 1.00 0.00 C ATOM 464 O PRO A 36 -4.472 30.880 7.978 1.00 0.00 O ATOM 465 CB PRO A 36 -3.129 32.051 10.800 1.00 0.00 C ATOM 466 CG PRO A 36 -4.523 32.311 11.258 1.00 0.00 C ATOM 467 CD PRO A 36 -5.028 33.452 10.418 1.00 0.00 C ATOM 0 HA PRO A 36 -2.203 32.787 8.935 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.841 31.015 10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.414 32.676 11.335 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.147 31.426 11.131 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.545 32.567 12.317 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.098 33.368 10.228 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.865 34.413 10.906 1.00 0.00 H new ATOM 475 N VAL A 37 -2.334 30.294 8.361 1.00 0.00 N ATOM 476 CA VAL A 37 -2.424 29.051 7.605 1.00 0.00 C ATOM 477 C VAL A 37 -3.546 28.165 8.136 1.00 0.00 C ATOM 478 O VAL A 37 -3.744 28.029 9.343 1.00 0.00 O ATOM 479 CB VAL A 37 -1.099 28.267 7.652 1.00 0.00 C ATOM 480 CG1 VAL A 37 -1.235 26.943 6.916 1.00 0.00 C ATOM 481 CG2 VAL A 37 0.032 29.099 7.067 1.00 0.00 C ATOM 0 H VAL A 37 -1.418 30.471 8.774 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.638 29.324 6.572 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.860 28.052 8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.289 26.403 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.016 26.345 7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.497 27.131 5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.961 28.530 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.197 29.346 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.143 30.018 7.643 1.00 0.00 H new ATOM 491 N PRO A 38 -4.298 27.546 7.214 1.00 0.00 N ATOM 492 CA PRO A 38 -5.412 26.660 7.566 1.00 0.00 C ATOM 493 C PRO A 38 -4.938 25.356 8.198 1.00 0.00 C ATOM 494 O PRO A 38 -3.781 24.964 8.046 1.00 0.00 O ATOM 495 CB PRO A 38 -6.087 26.388 6.219 1.00 0.00 C ATOM 496 CG PRO A 38 -5.010 26.582 5.209 1.00 0.00 C ATOM 497 CD PRO A 38 -4.118 27.662 5.757 1.00 0.00 C ATOM 0 HA PRO A 38 -6.073 27.110 8.307 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.492 25.377 6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.918 27.072 6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.453 25.659 5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.427 26.872 4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.078 27.510 5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.410 28.647 5.393 1.00 0.00 H new ATOM 505 N THR A 39 -5.841 24.686 8.908 1.00 0.00 N ATOM 506 CA THR A 39 -5.516 23.426 9.563 1.00 0.00 C ATOM 507 C THR A 39 -5.819 22.239 8.656 1.00 0.00 C ATOM 508 O THR A 39 -6.971 22.004 8.290 1.00 0.00 O ATOM 509 CB THR A 39 -6.294 23.261 10.882 1.00 0.00 C ATOM 510 OG1 THR A 39 -6.158 24.441 11.682 1.00 0.00 O ATOM 511 CG2 THR A 39 -5.792 22.055 11.660 1.00 0.00 C ATOM 0 H THR A 39 -6.803 24.996 9.044 1.00 0.00 H new ATOM 0 HA THR A 39 -4.448 23.450 9.780 1.00 0.00 H new ATOM 0 HB THR A 39 -7.345 23.105 10.640 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.657 24.329 12.518 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.357 21.959 12.587 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.924 21.154 11.060 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.735 22.185 11.891 1.00 0.00 H new ATOM 519 N ILE A 40 -4.779 21.494 8.296 1.00 0.00 N ATOM 520 CA ILE A 40 -4.936 20.330 7.433 1.00 0.00 C ATOM 521 C ILE A 40 -5.377 19.108 8.231 1.00 0.00 C ATOM 522 O ILE A 40 -4.754 18.749 9.231 1.00 0.00 O ATOM 523 CB ILE A 40 -3.628 20.000 6.690 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.387 21.008 5.564 1.00 0.00 C ATOM 525 CG2 ILE A 40 -3.676 18.583 6.138 1.00 0.00 C ATOM 526 CD1 ILE A 40 -3.885 22.400 5.883 1.00 0.00 C ATOM 0 H ILE A 40 -3.819 21.676 8.589 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.706 20.580 6.703 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.800 20.067 7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.319 21.053 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.879 20.653 4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.745 18.364 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.806 17.877 6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.512 18.491 5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.681 23.061 5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.959 22.369 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.375 22.775 6.770 1.00 0.00 H new ATOM 538 N LEU A 41 -6.453 18.472 7.783 1.00 0.00 N ATOM 539 CA LEU A 41 -6.977 17.288 8.455 1.00 0.00 C ATOM 540 C LEU A 41 -7.533 16.290 7.444 1.00 0.00 C ATOM 541 O LEU A 41 -7.489 16.525 6.236 1.00 0.00 O ATOM 542 CB LEU A 41 -8.069 17.683 9.451 1.00 0.00 C ATOM 543 CG LEU A 41 -7.725 18.830 10.402 1.00 0.00 C ATOM 544 CD1 LEU A 41 -8.978 19.609 10.773 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.035 18.300 11.650 1.00 0.00 C ATOM 0 H LEU A 41 -6.980 18.756 6.957 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.157 16.814 8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.962 17.958 8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.324 16.807 10.047 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.039 19.506 9.892 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.714 20.421 11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.431 20.021 9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.688 18.944 11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.798 19.130 12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.697 17.602 12.163 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.116 17.787 11.367 1.00 0.00 H new ATOM 557 N TRP A 42 -8.056 15.177 7.946 1.00 0.00 N ATOM 558 CA TRP A 42 -8.623 14.144 7.086 1.00 0.00 C ATOM 559 C TRP A 42 -9.825 13.482 7.751 1.00 0.00 C ATOM 560 O TRP A 42 -9.938 13.468 8.976 1.00 0.00 O ATOM 561 CB TRP A 42 -7.565 13.091 6.754 1.00 0.00 C ATOM 562 CG TRP A 42 -6.352 13.660 6.082 1.00 0.00 C ATOM 563 CD1 TRP A 42 -5.180 14.028 6.679 1.00 0.00 C ATOM 564 CD2 TRP A 42 -6.193 13.927 4.684 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.302 14.508 5.737 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.899 14.456 4.505 1.00 0.00 C ATOM 567 CE3 TRP A 42 -7.016 13.770 3.566 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.413 14.828 3.255 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.533 14.140 2.325 1.00 0.00 C ATOM 570 CH2 TRP A 42 -5.241 14.663 2.178 1.00 0.00 C ATOM 0 H TRP A 42 -8.099 14.967 8.943 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.957 14.618 6.163 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.261 12.589 7.673 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -8.007 12.333 6.108 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.973 13.953 7.736 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.359 14.848 5.925 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -8.012 13.366 3.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.418 15.232 3.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.161 14.024 1.454 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.892 14.941 1.195 1.00 0.00 H new ATOM 581 N ARG A 43 -10.720 12.935 6.935 1.00 0.00 N ATOM 582 CA ARG A 43 -11.914 12.272 7.445 1.00 0.00 C ATOM 583 C ARG A 43 -12.239 11.028 6.622 1.00 0.00 C ATOM 584 O ARG A 43 -12.429 11.105 5.408 1.00 0.00 O ATOM 585 CB ARG A 43 -13.104 13.233 7.426 1.00 0.00 C ATOM 586 CG ARG A 43 -13.147 14.172 8.621 1.00 0.00 C ATOM 587 CD ARG A 43 -14.406 15.025 8.615 1.00 0.00 C ATOM 588 NE ARG A 43 -14.738 15.520 9.947 1.00 0.00 N ATOM 589 CZ ARG A 43 -14.184 16.599 10.490 1.00 0.00 C ATOM 590 NH1 ARG A 43 -13.276 17.291 9.817 1.00 0.00 N ATOM 591 NH2 ARG A 43 -14.539 16.987 11.708 1.00 0.00 N ATOM 0 H ARG A 43 -10.641 12.938 5.918 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.718 11.966 8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.068 13.824 6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.027 12.654 7.396 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.104 13.592 9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.269 14.818 8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.269 15.869 7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.239 14.438 8.228 1.00 0.00 H new ATOM 0 HE ARG A 43 -15.434 15.010 10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.001 16.996 8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.852 18.119 10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.238 16.457 12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.113 17.815 12.124 1.00 0.00 H new ATOM 605 N LYS A 44 -12.300 9.882 7.292 1.00 0.00 N ATOM 606 CA LYS A 44 -12.602 8.621 6.625 1.00 0.00 C ATOM 607 C LYS A 44 -14.056 8.220 6.853 1.00 0.00 C ATOM 608 O LYS A 44 -14.472 7.976 7.986 1.00 0.00 O ATOM 609 CB LYS A 44 -11.672 7.517 7.131 1.00 0.00 C ATOM 610 CG LYS A 44 -11.783 6.221 6.347 1.00 0.00 C ATOM 611 CD LYS A 44 -10.515 5.390 6.460 1.00 0.00 C ATOM 612 CE LYS A 44 -10.798 3.911 6.249 1.00 0.00 C ATOM 613 NZ LYS A 44 -11.736 3.374 7.273 1.00 0.00 N ATOM 0 H LYS A 44 -12.144 9.801 8.297 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.444 8.758 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.642 7.872 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.895 7.318 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.631 5.644 6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.980 6.445 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.788 5.731 5.723 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.067 5.539 7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.220 3.760 5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.862 3.353 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.611 2.345 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.539 3.819 8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.715 3.582 6.990 1.00 0.00 H new ATOM 627 N ASP A 45 -14.823 8.152 5.770 1.00 0.00 N ATOM 628 CA ASP A 45 -16.230 7.777 5.852 1.00 0.00 C ATOM 629 C ASP A 45 -16.934 8.550 6.963 1.00 0.00 C ATOM 630 O ASP A 45 -17.828 8.026 7.627 1.00 0.00 O ATOM 631 CB ASP A 45 -16.366 6.273 6.095 1.00 0.00 C ATOM 632 CG ASP A 45 -16.332 5.473 4.808 1.00 0.00 C ATOM 633 OD1 ASP A 45 -16.172 6.087 3.732 1.00 0.00 O ATOM 634 OD2 ASP A 45 -16.464 4.234 4.876 1.00 0.00 O ATOM 0 H ASP A 45 -14.494 8.352 4.825 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.703 8.028 4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.560 5.939 6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -17.302 6.076 6.617 1.00 0.00 H new ATOM 639 N GLY A 46 -16.524 9.799 7.161 1.00 0.00 N ATOM 640 CA GLY A 46 -17.125 10.623 8.193 1.00 0.00 C ATOM 641 C GLY A 46 -16.552 10.341 9.567 1.00 0.00 C ATOM 642 O GLY A 46 -17.259 10.425 10.572 1.00 0.00 O ATOM 0 H GLY A 46 -15.786 10.255 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.973 11.674 7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.201 10.452 8.209 1.00 0.00 H new ATOM 646 N VAL A 47 -15.267 10.003 9.613 1.00 0.00 N ATOM 647 CA VAL A 47 -14.599 9.707 10.875 1.00 0.00 C ATOM 648 C VAL A 47 -13.215 10.343 10.927 1.00 0.00 C ATOM 649 O VAL A 47 -12.398 10.152 10.025 1.00 0.00 O ATOM 650 CB VAL A 47 -14.463 8.188 11.094 1.00 0.00 C ATOM 651 CG1 VAL A 47 -13.786 7.899 12.425 1.00 0.00 C ATOM 652 CG2 VAL A 47 -15.825 7.515 11.022 1.00 0.00 C ATOM 0 H VAL A 47 -14.668 9.927 8.791 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.218 10.127 11.668 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.839 7.779 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.699 6.821 12.562 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.793 8.348 12.433 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.381 8.321 13.235 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.710 6.443 11.179 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.476 7.927 11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.267 7.693 10.042 1.00 0.00 H new ATOM 662 N LEU A 48 -12.957 11.100 11.988 1.00 0.00 N ATOM 663 CA LEU A 48 -11.670 11.765 12.159 1.00 0.00 C ATOM 664 C LEU A 48 -10.530 10.753 12.159 1.00 0.00 C ATOM 665 O LEU A 48 -10.430 9.914 13.054 1.00 0.00 O ATOM 666 CB LEU A 48 -11.657 12.566 13.462 1.00 0.00 C ATOM 667 CG LEU A 48 -12.167 14.004 13.371 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.304 14.818 12.419 1.00 0.00 C ATOM 669 CD2 LEU A 48 -13.623 14.027 12.927 1.00 0.00 C ATOM 0 H LEU A 48 -13.622 11.269 12.743 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.526 12.446 11.320 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.260 12.034 14.198 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.636 12.587 13.842 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.103 14.455 14.361 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.683 15.839 12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.276 14.830 12.780 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.334 14.369 11.426 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.969 15.059 12.868 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.712 13.558 11.947 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.232 13.481 13.648 1.00 0.00 H new ATOM 681 N VAL A 49 -9.669 10.838 11.149 1.00 0.00 N ATOM 682 CA VAL A 49 -8.533 9.932 11.034 1.00 0.00 C ATOM 683 C VAL A 49 -7.879 9.695 12.391 1.00 0.00 C ATOM 684 O VAL A 49 -7.749 10.616 13.198 1.00 0.00 O ATOM 685 CB VAL A 49 -7.476 10.478 10.056 1.00 0.00 C ATOM 686 CG1 VAL A 49 -6.222 9.617 10.089 1.00 0.00 C ATOM 687 CG2 VAL A 49 -8.044 10.554 8.647 1.00 0.00 C ATOM 0 H VAL A 49 -9.737 11.526 10.399 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.919 8.988 10.650 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.203 11.486 10.368 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.487 10.018 9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.806 9.619 11.096 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.474 8.596 9.803 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.284 10.942 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.346 9.558 8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.910 11.216 8.639 1.00 0.00 H new ATOM 697 N SER A 50 -7.470 8.455 12.636 1.00 0.00 N ATOM 698 CA SER A 50 -6.832 8.095 13.898 1.00 0.00 C ATOM 699 C SER A 50 -5.314 8.200 13.788 1.00 0.00 C ATOM 700 O SER A 50 -4.634 7.226 13.464 1.00 0.00 O ATOM 701 CB SER A 50 -7.229 6.676 14.308 1.00 0.00 C ATOM 702 OG SER A 50 -8.400 6.684 15.106 1.00 0.00 O ATOM 0 H SER A 50 -7.569 7.682 11.978 1.00 0.00 H new ATOM 0 HA SER A 50 -7.173 8.794 14.662 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.396 6.070 13.417 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.412 6.212 14.860 1.00 0.00 H new ATOM 0 HG SER A 50 -8.634 5.765 15.353 1.00 0.00 H new ATOM 708 N THR A 51 -4.788 9.390 14.061 1.00 0.00 N ATOM 709 CA THR A 51 -3.351 9.624 13.993 1.00 0.00 C ATOM 710 C THR A 51 -2.641 9.051 15.214 1.00 0.00 C ATOM 711 O THR A 51 -1.801 9.713 15.822 1.00 0.00 O ATOM 712 CB THR A 51 -3.031 11.127 13.885 1.00 0.00 C ATOM 713 OG1 THR A 51 -3.881 11.872 14.764 1.00 0.00 O ATOM 714 CG2 THR A 51 -3.213 11.618 12.457 1.00 0.00 C ATOM 0 H THR A 51 -5.336 10.207 14.331 1.00 0.00 H new ATOM 0 HA THR A 51 -2.991 9.118 13.097 1.00 0.00 H new ATOM 0 HB THR A 51 -1.990 11.277 14.173 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.671 12.826 14.691 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.981 12.682 12.406 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.544 11.069 11.795 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.245 11.456 12.145 1.00 0.00 H new ATOM 722 N GLN A 52 -2.985 7.816 15.567 1.00 0.00 N ATOM 723 CA GLN A 52 -2.380 7.155 16.717 1.00 0.00 C ATOM 724 C GLN A 52 -1.600 5.917 16.285 1.00 0.00 C ATOM 725 O GLN A 52 -0.628 5.527 16.932 1.00 0.00 O ATOM 726 CB GLN A 52 -3.456 6.766 17.733 1.00 0.00 C ATOM 727 CG GLN A 52 -3.987 7.942 18.536 1.00 0.00 C ATOM 728 CD GLN A 52 -4.888 7.510 19.676 1.00 0.00 C ATOM 729 OE1 GLN A 52 -5.998 7.024 19.456 1.00 0.00 O ATOM 730 NE2 GLN A 52 -4.415 7.685 20.905 1.00 0.00 N ATOM 0 H GLN A 52 -3.679 7.254 15.074 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.686 7.855 17.183 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.285 6.291 17.208 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.046 6.024 18.418 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.149 8.512 18.936 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.539 8.609 17.874 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.490 8.091 21.042 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.977 7.413 21.711 1.00 0.00 H new ATOM 739 N ASP A 53 -2.033 5.304 15.189 1.00 0.00 N ATOM 740 CA ASP A 53 -1.376 4.111 14.670 1.00 0.00 C ATOM 741 C ASP A 53 -0.135 4.481 13.864 1.00 0.00 C ATOM 742 O ASP A 53 -0.213 5.249 12.904 1.00 0.00 O ATOM 743 CB ASP A 53 -2.343 3.306 13.801 1.00 0.00 C ATOM 744 CG ASP A 53 -1.980 1.836 13.738 1.00 0.00 C ATOM 745 OD1 ASP A 53 -1.910 1.197 14.809 1.00 0.00 O ATOM 746 OD2 ASP A 53 -1.764 1.325 12.619 1.00 0.00 O ATOM 0 H ASP A 53 -2.837 5.614 14.643 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.067 3.499 15.518 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.354 3.411 14.195 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.350 3.719 12.792 1.00 0.00 H new ATOM 751 N SER A 54 1.008 3.932 14.260 1.00 0.00 N ATOM 752 CA SER A 54 2.267 4.208 13.577 1.00 0.00 C ATOM 753 C SER A 54 2.058 4.299 12.068 1.00 0.00 C ATOM 754 O SER A 54 2.707 5.092 11.387 1.00 0.00 O ATOM 755 CB SER A 54 3.295 3.121 13.896 1.00 0.00 C ATOM 756 OG SER A 54 3.644 3.137 15.270 1.00 0.00 O ATOM 0 H SER A 54 1.089 3.293 15.051 1.00 0.00 H new ATOM 0 HA SER A 54 2.642 5.168 13.933 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.890 2.144 13.632 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.188 3.271 13.289 1.00 0.00 H new ATOM 0 HG SER A 54 4.301 2.432 15.449 1.00 0.00 H new ATOM 762 N ARG A 55 1.146 3.480 11.554 1.00 0.00 N ATOM 763 CA ARG A 55 0.851 3.466 10.126 1.00 0.00 C ATOM 764 C ARG A 55 0.498 4.865 9.630 1.00 0.00 C ATOM 765 O ARG A 55 0.999 5.314 8.598 1.00 0.00 O ATOM 766 CB ARG A 55 -0.301 2.503 9.831 1.00 0.00 C ATOM 767 CG ARG A 55 0.017 1.054 10.162 1.00 0.00 C ATOM 768 CD ARG A 55 -0.936 0.100 9.459 1.00 0.00 C ATOM 769 NE ARG A 55 -2.193 -0.052 10.186 1.00 0.00 N ATOM 770 CZ ARG A 55 -3.232 0.763 10.037 1.00 0.00 C ATOM 771 NH1 ARG A 55 -3.163 1.781 9.190 1.00 0.00 N ATOM 772 NH2 ARG A 55 -4.342 0.559 10.734 1.00 0.00 N ATOM 0 H ARG A 55 0.599 2.818 12.105 1.00 0.00 H new ATOM 0 HA ARG A 55 1.743 3.127 9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.177 2.813 10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.564 2.577 8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.042 0.829 9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.045 0.904 11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.141 0.468 8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.459 -0.874 9.351 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.278 -0.826 10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.311 1.940 8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.962 2.405 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.399 -0.224 11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.139 1.185 10.619 1.00 0.00 H new ATOM 786 N ILE A 56 -0.368 5.549 10.371 1.00 0.00 N ATOM 787 CA ILE A 56 -0.787 6.897 10.006 1.00 0.00 C ATOM 788 C ILE A 56 -0.003 7.946 10.787 1.00 0.00 C ATOM 789 O ILE A 56 -0.110 8.035 12.010 1.00 0.00 O ATOM 790 CB ILE A 56 -2.292 7.105 10.257 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.102 5.995 9.584 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.730 8.471 9.748 1.00 0.00 C ATOM 793 CD1 ILE A 56 -3.339 4.796 10.474 1.00 0.00 C ATOM 0 H ILE A 56 -0.793 5.192 11.227 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.585 7.014 8.941 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.476 7.063 11.331 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.064 6.399 9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.581 5.671 8.683 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.796 8.603 9.932 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.172 9.249 10.269 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.536 8.540 8.678 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.919 4.049 9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.381 4.367 10.769 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.888 5.106 11.363 1.00 0.00 H new ATOM 805 N LYS A 57 0.784 8.742 10.071 1.00 0.00 N ATOM 806 CA LYS A 57 1.585 9.789 10.695 1.00 0.00 C ATOM 807 C LYS A 57 1.787 10.961 9.740 1.00 0.00 C ATOM 808 O LYS A 57 1.942 10.771 8.534 1.00 0.00 O ATOM 809 CB LYS A 57 2.943 9.231 11.128 1.00 0.00 C ATOM 810 CG LYS A 57 3.759 10.200 11.966 1.00 0.00 C ATOM 811 CD LYS A 57 4.782 9.473 12.821 1.00 0.00 C ATOM 812 CE LYS A 57 5.925 8.926 11.979 1.00 0.00 C ATOM 813 NZ LYS A 57 5.607 7.583 11.419 1.00 0.00 N ATOM 0 H LYS A 57 0.884 8.682 9.058 1.00 0.00 H new ATOM 0 HA LYS A 57 1.049 10.147 11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.785 8.315 11.697 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.515 8.960 10.240 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.268 10.909 11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.093 10.778 12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.177 10.154 13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.297 8.655 13.354 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.140 9.618 11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.827 8.861 12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.461 6.989 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.863 7.135 11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.275 7.685 10.439 1.00 0.00 H new ATOM 827 N GLN A 58 1.784 12.172 10.288 1.00 0.00 N ATOM 828 CA GLN A 58 1.967 13.375 9.484 1.00 0.00 C ATOM 829 C GLN A 58 3.439 13.769 9.422 1.00 0.00 C ATOM 830 O GLN A 58 3.999 14.274 10.397 1.00 0.00 O ATOM 831 CB GLN A 58 1.141 14.528 10.056 1.00 0.00 C ATOM 832 CG GLN A 58 -0.304 14.534 9.583 1.00 0.00 C ATOM 833 CD GLN A 58 -0.891 15.931 9.520 1.00 0.00 C ATOM 834 OE1 GLN A 58 -0.218 16.882 9.121 1.00 0.00 O ATOM 835 NE2 GLN A 58 -2.152 16.061 9.914 1.00 0.00 N ATOM 0 H GLN A 58 1.657 12.346 11.285 1.00 0.00 H new ATOM 0 HA GLN A 58 1.624 13.161 8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.158 14.471 11.144 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.609 15.472 9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.361 14.075 8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.905 13.921 10.255 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.672 15.245 10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.601 16.977 9.893 1.00 0.00 H new ATOM 844 N LEU A 59 4.062 13.536 8.272 1.00 0.00 N ATOM 845 CA LEU A 59 5.470 13.867 8.084 1.00 0.00 C ATOM 846 C LEU A 59 5.654 15.368 7.881 1.00 0.00 C ATOM 847 O LEU A 59 6.213 16.055 8.736 1.00 0.00 O ATOM 848 CB LEU A 59 6.037 13.106 6.884 1.00 0.00 C ATOM 849 CG LEU A 59 5.756 11.604 6.849 1.00 0.00 C ATOM 850 CD1 LEU A 59 5.841 11.012 8.247 1.00 0.00 C ATOM 851 CD2 LEU A 59 4.391 11.330 6.234 1.00 0.00 C ATOM 0 H LEU A 59 3.614 13.119 7.456 1.00 0.00 H new ATOM 0 HA LEU A 59 6.011 13.571 8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.636 13.552 5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.117 13.254 6.862 1.00 0.00 H new ATOM 0 HG LEU A 59 6.514 11.127 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.638 9.942 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.840 11.175 8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.106 11.494 8.892 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.208 10.256 6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.619 11.820 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.366 11.718 5.216 1.00 0.00 H new ATOM 863 N GLU A 60 5.178 15.870 6.746 1.00 0.00 N ATOM 864 CA GLU A 60 5.290 17.290 6.433 1.00 0.00 C ATOM 865 C GLU A 60 3.998 18.026 6.777 1.00 0.00 C ATOM 866 O GLU A 60 2.995 17.408 7.132 1.00 0.00 O ATOM 867 CB GLU A 60 5.621 17.484 4.952 1.00 0.00 C ATOM 868 CG GLU A 60 6.478 16.372 4.369 1.00 0.00 C ATOM 869 CD GLU A 60 7.293 16.829 3.175 1.00 0.00 C ATOM 870 OE1 GLU A 60 8.031 17.828 3.309 1.00 0.00 O ATOM 871 OE2 GLU A 60 7.194 16.189 2.108 1.00 0.00 O ATOM 0 H GLU A 60 4.712 15.315 6.028 1.00 0.00 H new ATOM 0 HA GLU A 60 6.097 17.706 7.036 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.692 17.550 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.139 18.435 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.150 15.994 5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.837 15.543 4.071 1.00 0.00 H new ATOM 878 N ASN A 61 4.032 19.350 6.670 1.00 0.00 N ATOM 879 CA ASN A 61 2.865 20.172 6.971 1.00 0.00 C ATOM 880 C ASN A 61 1.711 19.842 6.029 1.00 0.00 C ATOM 881 O ASN A 61 1.749 20.171 4.844 1.00 0.00 O ATOM 882 CB ASN A 61 3.219 21.656 6.862 1.00 0.00 C ATOM 883 CG ASN A 61 3.379 22.109 5.424 1.00 0.00 C ATOM 884 OD1 ASN A 61 2.447 22.644 4.822 1.00 0.00 O ATOM 885 ND2 ASN A 61 4.564 21.895 4.865 1.00 0.00 N ATOM 0 H ASN A 61 4.855 19.877 6.377 1.00 0.00 H new ATOM 0 HA ASN A 61 2.551 19.955 7.992 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.440 22.249 7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.145 21.847 7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.731 22.177 3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.308 21.448 5.401 1.00 0.00 H new ATOM 892 N GLY A 62 0.684 19.190 6.566 1.00 0.00 N ATOM 893 CA GLY A 62 -0.467 18.827 5.760 1.00 0.00 C ATOM 894 C GLY A 62 -0.199 17.628 4.873 1.00 0.00 C ATOM 895 O GLY A 62 -0.659 17.574 3.733 1.00 0.00 O ATOM 0 H GLY A 62 0.629 18.907 7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.311 18.609 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.755 19.676 5.140 1.00 0.00 H new ATOM 899 N VAL A 63 0.548 16.661 5.397 1.00 0.00 N ATOM 900 CA VAL A 63 0.877 15.456 4.646 1.00 0.00 C ATOM 901 C VAL A 63 0.691 14.207 5.500 1.00 0.00 C ATOM 902 O VAL A 63 1.508 13.912 6.373 1.00 0.00 O ATOM 903 CB VAL A 63 2.327 15.498 4.125 1.00 0.00 C ATOM 904 CG1 VAL A 63 2.663 14.216 3.379 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.538 16.714 3.235 1.00 0.00 C ATOM 0 H VAL A 63 0.937 16.689 6.340 1.00 0.00 H new ATOM 0 HA VAL A 63 0.194 15.416 3.797 1.00 0.00 H new ATOM 0 HB VAL A 63 3.000 15.580 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.691 14.264 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.553 13.365 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.986 14.100 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.567 16.728 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.858 16.665 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.341 17.621 3.806 1.00 0.00 H new ATOM 915 N LEU A 64 -0.387 13.477 5.242 1.00 0.00 N ATOM 916 CA LEU A 64 -0.681 12.257 5.987 1.00 0.00 C ATOM 917 C LEU A 64 -0.452 11.022 5.123 1.00 0.00 C ATOM 918 O LEU A 64 -1.077 10.862 4.075 1.00 0.00 O ATOM 919 CB LEU A 64 -2.126 12.280 6.491 1.00 0.00 C ATOM 920 CG LEU A 64 -2.504 11.189 7.494 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.251 11.662 8.917 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.959 10.782 7.316 1.00 0.00 C ATOM 0 H LEU A 64 -1.073 13.708 4.523 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.005 12.210 6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.314 13.250 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.791 12.201 5.631 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.878 10.317 7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.526 10.873 9.617 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.195 11.903 9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.851 12.550 9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.210 10.005 8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.601 11.648 7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.109 10.401 6.306 1.00 0.00 H new ATOM 934 N GLN A 65 0.448 10.152 5.570 1.00 0.00 N ATOM 935 CA GLN A 65 0.758 8.930 4.838 1.00 0.00 C ATOM 936 C GLN A 65 0.341 7.697 5.633 1.00 0.00 C ATOM 937 O GLN A 65 0.569 7.620 6.841 1.00 0.00 O ATOM 938 CB GLN A 65 2.253 8.866 4.521 1.00 0.00 C ATOM 939 CG GLN A 65 2.690 7.543 3.912 1.00 0.00 C ATOM 940 CD GLN A 65 4.034 7.637 3.217 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.222 7.092 2.129 1.00 0.00 O ATOM 942 NE2 GLN A 65 4.978 8.330 3.843 1.00 0.00 N ATOM 0 H GLN A 65 0.975 10.271 6.435 1.00 0.00 H new ATOM 0 HA GLN A 65 0.196 8.944 3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.505 9.674 3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.818 9.039 5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.742 6.786 4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.938 7.210 3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.779 8.765 4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.903 8.427 3.423 1.00 0.00 H new ATOM 951 N ILE A 66 -0.269 6.736 4.949 1.00 0.00 N ATOM 952 CA ILE A 66 -0.717 5.507 5.592 1.00 0.00 C ATOM 953 C ILE A 66 -0.036 4.287 4.981 1.00 0.00 C ATOM 954 O ILE A 66 -0.186 4.012 3.790 1.00 0.00 O ATOM 955 CB ILE A 66 -2.244 5.338 5.482 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.956 6.582 6.016 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.695 4.097 6.239 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.975 7.734 5.035 1.00 0.00 C ATOM 0 H ILE A 66 -0.465 6.784 3.949 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.443 5.584 6.644 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.507 5.215 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.981 6.320 6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.466 6.905 6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.776 3.991 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.209 3.217 5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.423 4.193 7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.495 8.582 5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.952 8.022 4.793 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.491 7.428 4.125 1.00 0.00 H new ATOM 970 N ARG A 67 0.711 3.558 5.804 1.00 0.00 N ATOM 971 CA ARG A 67 1.414 2.367 5.344 1.00 0.00 C ATOM 972 C ARG A 67 0.583 1.113 5.599 1.00 0.00 C ATOM 973 O ARG A 67 -0.291 1.100 6.466 1.00 0.00 O ATOM 974 CB ARG A 67 2.768 2.245 6.046 1.00 0.00 C ATOM 975 CG ARG A 67 3.821 3.200 5.507 1.00 0.00 C ATOM 976 CD ARG A 67 4.979 3.359 6.480 1.00 0.00 C ATOM 977 NE ARG A 67 5.903 2.230 6.419 1.00 0.00 N ATOM 978 CZ ARG A 67 7.124 2.251 6.942 1.00 0.00 C ATOM 979 NH1 ARG A 67 7.565 3.337 7.562 1.00 0.00 N ATOM 980 NH2 ARG A 67 7.907 1.184 6.846 1.00 0.00 N ATOM 0 H ARG A 67 0.845 3.772 6.792 1.00 0.00 H new ATOM 0 HA ARG A 67 1.576 2.463 4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.633 2.430 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.130 1.222 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.195 2.830 4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.368 4.173 5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.517 4.280 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.590 3.455 7.494 1.00 0.00 H new ATOM 0 HE ARG A 67 5.594 1.379 5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.966 4.159 7.638 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.503 3.350 7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.572 0.346 6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.844 1.201 7.248 1.00 0.00 H new ATOM 994 N TYR A 68 0.861 0.060 4.838 1.00 0.00 N ATOM 995 CA TYR A 68 0.138 -1.198 4.979 1.00 0.00 C ATOM 996 C TYR A 68 -1.344 -1.012 4.667 1.00 0.00 C ATOM 997 O TYR A 68 -2.209 -1.438 5.432 1.00 0.00 O ATOM 998 CB TYR A 68 0.308 -1.752 6.394 1.00 0.00 C ATOM 999 CG TYR A 68 1.749 -1.836 6.843 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.565 -2.883 6.433 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.295 -0.867 7.676 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.882 -2.964 6.841 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.612 -0.939 8.089 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.401 -1.989 7.669 1.00 0.00 C ATOM 1005 OH TYR A 68 5.713 -2.066 8.076 1.00 0.00 O ATOM 0 H TYR A 68 1.582 0.053 4.117 1.00 0.00 H new ATOM 0 HA TYR A 68 0.554 -1.909 4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.245 -1.121 7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.137 -2.746 6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.163 -3.647 5.784 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.680 -0.043 8.006 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.502 -3.785 6.514 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.021 -0.178 8.737 1.00 0.00 H new ATOM 0 HH TYR A 68 5.922 -1.302 8.654 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.629 -0.372 3.538 1.00 0.00 N ATOM 1016 CA ALA A 69 -3.005 -0.132 3.122 1.00 0.00 C ATOM 1017 C ALA A 69 -3.743 -1.444 2.881 1.00 0.00 C ATOM 1018 O ALA A 69 -3.532 -2.110 1.867 1.00 0.00 O ATOM 1019 CB ALA A 69 -3.035 0.732 1.870 1.00 0.00 C ATOM 0 H ALA A 69 -0.925 -0.010 2.895 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.515 0.397 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.069 0.903 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.554 1.688 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.504 0.225 1.065 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.610 -1.812 3.819 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.380 -3.044 3.708 1.00 0.00 C ATOM 1027 C LYS A 70 -6.638 -2.827 2.873 1.00 0.00 C ATOM 1028 O LYS A 70 -6.976 -1.695 2.525 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.762 -3.558 5.099 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.603 -3.570 6.081 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.092 -3.624 7.519 1.00 0.00 C ATOM 1032 CE LYS A 70 -3.969 -3.327 8.501 1.00 0.00 C ATOM 1033 NZ LYS A 70 -4.223 -3.939 9.835 1.00 0.00 N ATOM 0 H LYS A 70 -4.796 -1.273 4.665 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.758 -3.787 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.561 -2.935 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.160 -4.568 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.964 -4.430 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.993 -2.678 5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.898 -2.903 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.507 -4.610 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.028 -3.704 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.859 -2.248 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.435 -3.714 10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.108 -3.560 10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.303 -4.971 9.734 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.327 -3.917 2.555 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.548 -3.846 1.761 1.00 0.00 C ATOM 1049 C LEU A 71 -9.660 -3.143 2.534 1.00 0.00 C ATOM 1050 O LEU A 71 -10.583 -2.583 1.944 1.00 0.00 O ATOM 1051 CB LEU A 71 -9.001 -5.250 1.357 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.040 -6.034 0.462 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.380 -7.516 0.483 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.078 -5.496 -0.960 1.00 0.00 C ATOM 0 H LEU A 71 -7.061 -4.861 2.835 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.334 -3.268 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.175 -5.829 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.959 -5.167 0.843 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.029 -5.909 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.686 -8.058 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.301 -7.893 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.398 -7.661 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.388 -6.065 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.088 -5.590 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.785 -4.446 -0.960 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.564 -3.176 3.860 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.566 -2.537 4.692 1.00 0.00 C ATOM 1068 C GLY A 72 -10.376 -1.035 4.779 1.00 0.00 C ATOM 1069 O GLY A 72 -11.229 -0.325 5.312 1.00 0.00 O ATOM 0 H GLY A 72 -8.810 -3.634 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.557 -2.752 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.527 -2.964 5.694 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.255 -0.551 4.256 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.956 0.876 4.278 1.00 0.00 C ATOM 1075 C ASP A 73 -9.668 1.598 3.138 1.00 0.00 C ATOM 1076 O ASP A 73 -9.974 2.786 3.236 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.447 1.104 4.179 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.776 1.140 5.538 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -6.930 0.164 6.301 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -6.098 2.145 5.839 1.00 0.00 O ATOM 0 H ASP A 73 -8.539 -1.125 3.812 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.316 1.283 5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.001 0.311 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.258 2.043 3.659 1.00 0.00 H new ATOM 1085 N THR A 74 -9.927 0.871 2.055 1.00 0.00 N ATOM 1086 CA THR A 74 -10.600 1.442 0.895 1.00 0.00 C ATOM 1087 C THR A 74 -11.759 2.338 1.317 1.00 0.00 C ATOM 1088 O THR A 74 -12.866 1.863 1.565 1.00 0.00 O ATOM 1089 CB THR A 74 -11.132 0.343 -0.043 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.109 -0.629 -0.290 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.602 0.937 -1.362 1.00 0.00 C ATOM 0 H THR A 74 -9.681 -0.114 1.957 1.00 0.00 H new ATOM 0 HA THR A 74 -9.859 2.038 0.362 1.00 0.00 H new ATOM 0 HB THR A 74 -11.980 -0.138 0.443 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.168 -1.343 0.379 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.973 0.141 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.401 1.654 -1.174 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.769 1.442 -1.851 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.496 3.639 1.397 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.528 4.582 1.789 1.00 0.00 C ATOM 1101 C GLY A 75 -12.421 5.900 1.048 1.00 0.00 C ATOM 1102 O GLY A 75 -11.727 5.996 0.036 1.00 0.00 O ATOM 0 H GLY A 75 -10.587 4.057 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.508 4.142 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.460 4.765 2.861 1.00 0.00 H new ATOM 1106 N ARG A 76 -13.112 6.917 1.552 1.00 0.00 N ATOM 1107 CA ARG A 76 -13.095 8.235 0.929 1.00 0.00 C ATOM 1108 C ARG A 76 -12.285 9.221 1.766 1.00 0.00 C ATOM 1109 O ARG A 76 -12.717 9.640 2.841 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.522 8.756 0.747 1.00 0.00 C ATOM 1111 CG ARG A 76 -15.376 8.644 1.999 1.00 0.00 C ATOM 1112 CD ARG A 76 -16.817 9.047 1.728 1.00 0.00 C ATOM 1113 NE ARG A 76 -16.903 10.264 0.925 1.00 0.00 N ATOM 1114 CZ ARG A 76 -18.028 10.700 0.371 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -19.157 10.023 0.533 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -18.027 11.816 -0.347 1.00 0.00 N ATOM 0 H ARG A 76 -13.690 6.854 2.390 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.623 8.141 -0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.482 9.800 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -15.002 8.202 -0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.347 7.619 2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.961 9.278 2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.330 8.235 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.335 9.200 2.675 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.052 10.809 0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -19.162 9.165 1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.020 10.360 0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.161 12.340 -0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.892 12.150 -0.772 1.00 0.00 H new ATOM 1130 N TYR A 77 -11.110 9.588 1.267 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.239 10.523 1.970 1.00 0.00 C ATOM 1132 C TYR A 77 -10.450 11.947 1.467 1.00 0.00 C ATOM 1133 O TYR A 77 -10.273 12.234 0.282 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.775 10.119 1.793 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.405 8.846 2.521 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.785 7.604 2.027 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.677 8.886 3.704 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.451 6.439 2.689 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.337 7.725 4.372 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.726 6.505 3.861 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.390 5.347 4.525 1.00 0.00 O ATOM 0 H TYR A 77 -10.739 9.252 0.378 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.492 10.490 3.030 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.568 9.993 0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.138 10.929 2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.352 7.549 1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.372 9.840 4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.755 5.482 2.292 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.769 7.773 5.290 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.879 5.569 5.331 1.00 0.00 H new ATOM 1151 N THR A 78 -10.830 12.839 2.377 1.00 0.00 N ATOM 1152 CA THR A 78 -11.065 14.234 2.028 1.00 0.00 C ATOM 1153 C THR A 78 -10.246 15.168 2.911 1.00 0.00 C ATOM 1154 O THR A 78 -9.965 14.857 4.069 1.00 0.00 O ATOM 1155 CB THR A 78 -12.556 14.602 2.156 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.298 14.023 1.077 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.743 16.111 2.155 1.00 0.00 C ATOM 0 H THR A 78 -10.981 12.619 3.361 1.00 0.00 H new ATOM 0 HA THR A 78 -10.756 14.356 0.990 1.00 0.00 H new ATOM 0 HB THR A 78 -12.925 14.207 3.103 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.245 14.260 1.167 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.803 16.346 2.246 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.201 16.545 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.359 16.525 1.223 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.865 16.315 2.358 1.00 0.00 N ATOM 1166 CA CYS A 79 -9.077 17.295 3.096 1.00 0.00 C ATOM 1167 C CYS A 79 -9.978 18.352 3.729 1.00 0.00 C ATOM 1168 O CYS A 79 -11.069 18.631 3.231 1.00 0.00 O ATOM 1169 CB CYS A 79 -8.060 17.965 2.169 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.384 19.529 2.814 1.00 0.00 S ATOM 0 H CYS A 79 -10.089 16.588 1.401 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.545 16.772 3.891 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.237 17.273 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.533 18.156 1.206 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.513 18.935 4.828 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.276 19.962 5.528 1.00 0.00 C ATOM 1177 C ILE A 80 -9.365 21.076 6.031 1.00 0.00 C ATOM 1178 O ILE A 80 -8.431 20.832 6.794 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.052 19.371 6.720 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -11.879 18.164 6.272 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -11.948 20.430 7.346 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.132 16.852 6.365 1.00 0.00 C ATOM 0 H ILE A 80 -8.612 18.715 5.253 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.986 20.373 4.810 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.336 19.038 7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.780 18.104 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.202 18.317 5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.490 19.997 8.187 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.337 21.262 7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.659 20.790 6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.779 16.041 6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.245 16.892 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.833 16.676 7.398 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.645 22.302 5.599 1.00 0.00 N ATOM 1195 CA ALA A 81 -8.854 23.455 6.009 1.00 0.00 C ATOM 1196 C ALA A 81 -9.695 24.441 6.813 1.00 0.00 C ATOM 1197 O ALA A 81 -10.570 25.113 6.268 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.252 24.142 4.791 1.00 0.00 C ATOM 0 H ALA A 81 -10.414 22.521 4.965 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.046 23.101 6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.664 25.002 5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.609 23.441 4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.051 24.476 4.130 1.00 0.00 H new ATOM 1204 N SER A 82 -9.424 24.521 8.111 1.00 0.00 N ATOM 1205 CA SER A 82 -10.160 25.422 8.991 1.00 0.00 C ATOM 1206 C SER A 82 -9.430 26.753 9.139 1.00 0.00 C ATOM 1207 O SER A 82 -8.212 26.792 9.317 1.00 0.00 O ATOM 1208 CB SER A 82 -10.355 24.779 10.366 1.00 0.00 C ATOM 1209 OG SER A 82 -10.644 25.757 11.350 1.00 0.00 O ATOM 0 H SER A 82 -8.701 23.973 8.577 1.00 0.00 H new ATOM 0 HA SER A 82 -11.136 25.610 8.544 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.167 24.054 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.455 24.232 10.646 1.00 0.00 H new ATOM 0 HG SER A 82 -10.766 25.321 12.219 1.00 0.00 H new ATOM 1215 N THR A 83 -10.184 27.846 9.063 1.00 0.00 N ATOM 1216 CA THR A 83 -9.610 29.180 9.186 1.00 0.00 C ATOM 1217 C THR A 83 -10.574 30.130 9.888 1.00 0.00 C ATOM 1218 O THR A 83 -11.781 29.894 9.950 1.00 0.00 O ATOM 1219 CB THR A 83 -9.245 29.764 7.808 1.00 0.00 C ATOM 1220 OG1 THR A 83 -10.141 29.263 6.810 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.813 29.412 7.434 1.00 0.00 C ATOM 0 H THR A 83 -11.193 27.833 8.917 1.00 0.00 H new ATOM 0 HA THR A 83 -8.703 29.080 9.782 1.00 0.00 H new ATOM 0 HB THR A 83 -9.334 30.849 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.048 29.215 7.179 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.578 29.835 6.457 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.131 29.820 8.180 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.703 28.328 7.396 1.00 0.00 H new ATOM 1229 N PRO A 84 -10.032 31.231 10.429 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.828 32.239 11.136 1.00 0.00 C ATOM 1231 C PRO A 84 -11.731 33.028 10.195 1.00 0.00 C ATOM 1232 O PRO A 84 -12.449 33.933 10.621 1.00 0.00 O ATOM 1233 CB PRO A 84 -9.769 33.156 11.755 1.00 0.00 C ATOM 1234 CG PRO A 84 -8.574 32.998 10.880 1.00 0.00 C ATOM 1235 CD PRO A 84 -8.601 31.576 10.393 1.00 0.00 C ATOM 0 HA PRO A 84 -11.501 31.789 11.865 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.108 34.192 11.780 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.548 32.868 12.783 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.607 33.697 10.044 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.657 33.204 11.432 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.191 31.488 9.387 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.013 30.920 11.035 1.00 0.00 H new ATOM 1243 N SER A 85 -11.692 32.679 8.913 1.00 0.00 N ATOM 1244 CA SER A 85 -12.506 33.357 7.911 1.00 0.00 C ATOM 1245 C SER A 85 -13.482 32.386 7.255 1.00 0.00 C ATOM 1246 O SER A 85 -14.547 32.782 6.782 1.00 0.00 O ATOM 1247 CB SER A 85 -11.613 33.997 6.846 1.00 0.00 C ATOM 1248 OG SER A 85 -10.873 35.080 7.383 1.00 0.00 O ATOM 0 H SER A 85 -11.105 31.931 8.544 1.00 0.00 H new ATOM 0 HA SER A 85 -13.079 34.137 8.412 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.929 33.250 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.226 34.348 6.016 1.00 0.00 H new ATOM 0 HG SER A 85 -10.309 35.470 6.683 1.00 0.00 H new ATOM 1254 N GLY A 86 -13.111 31.109 7.231 1.00 0.00 N ATOM 1255 CA GLY A 86 -13.964 30.099 6.632 1.00 0.00 C ATOM 1256 C GLY A 86 -13.326 28.724 6.638 1.00 0.00 C ATOM 1257 O GLY A 86 -12.458 28.440 7.461 1.00 0.00 O ATOM 0 H GLY A 86 -12.235 30.756 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.910 30.060 7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.195 30.385 5.606 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.760 27.869 5.717 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.227 26.515 5.622 1.00 0.00 C ATOM 1263 C GLU A 87 -13.427 25.948 4.220 1.00 0.00 C ATOM 1264 O GLU A 87 -14.429 26.228 3.563 1.00 0.00 O ATOM 1265 CB GLU A 87 -13.899 25.605 6.652 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.228 24.249 6.797 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.162 23.192 7.354 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.101 22.793 6.634 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -13.954 22.765 8.509 1.00 0.00 O ATOM 0 H GLU A 87 -14.478 28.090 5.027 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.158 26.558 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.900 26.106 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.941 25.457 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.858 23.925 5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.362 24.345 7.452 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.465 25.150 3.767 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.536 24.543 2.444 1.00 0.00 C ATOM 1278 C ALA A 88 -12.216 23.053 2.506 1.00 0.00 C ATOM 1279 O ALA A 88 -11.737 22.552 3.524 1.00 0.00 O ATOM 1280 CB ALA A 88 -11.586 25.250 1.488 1.00 0.00 C ATOM 0 H ALA A 88 -11.628 24.909 4.297 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.555 24.654 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.649 24.787 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.862 26.302 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.566 25.169 1.863 1.00 0.00 H new ATOM 1286 N THR A 89 -12.483 22.349 1.410 1.00 0.00 N ATOM 1287 CA THR A 89 -12.225 20.917 1.341 1.00 0.00 C ATOM 1288 C THR A 89 -11.897 20.486 -0.084 1.00 0.00 C ATOM 1289 O THR A 89 -12.109 21.239 -1.035 1.00 0.00 O ATOM 1290 CB THR A 89 -13.432 20.104 1.846 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.556 20.307 0.982 1.00 0.00 O ATOM 1292 CG2 THR A 89 -13.798 20.505 3.267 1.00 0.00 C ATOM 0 H THR A 89 -12.878 22.748 0.558 1.00 0.00 H new ATOM 0 HA THR A 89 -11.368 20.719 1.984 1.00 0.00 H new ATOM 0 HB THR A 89 -13.159 19.049 1.843 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.318 19.785 1.309 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.653 19.918 3.602 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.950 20.321 3.927 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.054 21.564 3.292 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.380 19.270 -0.225 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.023 18.739 -1.536 1.00 0.00 C ATOM 1302 C TRP A 90 -11.535 17.313 -1.703 1.00 0.00 C ATOM 1303 O TRP A 90 -11.542 16.531 -0.752 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.507 18.776 -1.729 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.085 18.617 -3.158 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.587 17.488 -3.744 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -9.124 19.619 -4.180 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.313 17.729 -5.069 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.635 19.028 -5.361 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.526 20.957 -4.212 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.536 19.731 -6.559 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.427 21.653 -5.402 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.937 21.040 -6.562 1.00 0.00 C ATOM 0 H TRP A 90 -11.199 18.634 0.552 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.493 19.365 -2.294 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.123 19.722 -1.347 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.053 17.984 -1.134 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.432 16.545 -3.240 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -7.932 17.050 -5.728 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.907 21.438 -3.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -8.156 19.260 -7.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.733 22.688 -5.438 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.874 21.611 -7.477 1.00 0.00 H new ATOM 1324 N SER A 91 -11.961 16.979 -2.917 1.00 0.00 N ATOM 1325 CA SER A 91 -12.478 15.647 -3.206 1.00 0.00 C ATOM 1326 C SER A 91 -11.346 14.694 -3.578 1.00 0.00 C ATOM 1327 O SER A 91 -10.523 14.997 -4.442 1.00 0.00 O ATOM 1328 CB SER A 91 -13.501 15.709 -4.342 1.00 0.00 C ATOM 1329 OG SER A 91 -14.682 16.374 -3.929 1.00 0.00 O ATOM 0 H SER A 91 -11.958 17.613 -3.716 1.00 0.00 H new ATOM 0 HA SER A 91 -12.966 15.271 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.068 16.228 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.745 14.699 -4.671 1.00 0.00 H new ATOM 0 HG SER A 91 -15.319 16.402 -4.673 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.311 13.541 -2.919 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.281 12.542 -3.180 1.00 0.00 C ATOM 1337 C ALA A 92 -10.681 11.182 -2.620 1.00 0.00 C ATOM 1338 O ALA A 92 -11.310 11.095 -1.565 1.00 0.00 O ATOM 1339 CB ALA A 92 -8.952 12.988 -2.591 1.00 0.00 C ATOM 0 H ALA A 92 -11.984 13.275 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.172 12.443 -4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.193 12.233 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.653 13.934 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.057 13.118 -1.514 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.314 10.122 -3.332 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.637 8.766 -2.907 1.00 0.00 C ATOM 1347 C TYR A 93 -9.488 7.810 -3.212 1.00 0.00 C ATOM 1348 O TYR A 93 -8.800 7.953 -4.224 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.914 8.283 -3.598 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.505 7.038 -2.976 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -11.866 5.810 -3.091 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -13.702 7.090 -2.273 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.403 4.669 -2.525 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -14.246 5.955 -1.703 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.593 4.747 -1.832 1.00 0.00 C ATOM 1356 OH TYR A 93 -14.130 3.614 -1.266 1.00 0.00 O ATOM 0 H TYR A 93 -9.792 10.176 -4.207 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.797 8.780 -1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.656 9.081 -3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.697 8.087 -4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.933 5.746 -3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.216 8.034 -2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.894 3.722 -2.625 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.177 6.013 -1.159 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.969 3.841 -0.813 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.287 6.836 -2.332 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.223 5.856 -2.507 1.00 0.00 C ATOM 1368 C ILE A 94 -8.787 4.442 -2.594 1.00 0.00 C ATOM 1369 O ILE A 94 -9.543 4.011 -1.724 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.203 5.920 -1.355 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.658 7.342 -1.205 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.069 4.935 -1.597 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -6.049 7.892 -2.475 1.00 0.00 C ATOM 0 H ILE A 94 -9.847 6.704 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.719 6.102 -3.442 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.706 5.645 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.466 8.000 -0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.906 7.353 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.356 4.992 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.472 3.924 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.565 5.182 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.684 8.903 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.220 7.256 -2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.804 7.914 -3.261 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.412 3.724 -3.648 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.880 2.358 -3.847 1.00 0.00 C ATOM 1387 C GLU A 95 -7.745 1.359 -3.645 1.00 0.00 C ATOM 1388 O GLU A 95 -6.655 1.521 -4.193 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.472 2.197 -5.249 1.00 0.00 C ATOM 1390 CG GLU A 95 -10.020 0.807 -5.523 1.00 0.00 C ATOM 1391 CD GLU A 95 -11.449 0.638 -5.045 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -12.263 1.558 -5.270 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -11.753 -0.414 -4.445 1.00 0.00 O ATOM 0 H GLU A 95 -7.786 4.066 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.655 2.156 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.271 2.926 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.704 2.427 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.973 0.607 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.387 0.068 -5.032 1.00 0.00 H new ATOM 1400 N VAL A 96 -8.009 0.324 -2.853 1.00 0.00 N ATOM 1401 CA VAL A 96 -7.011 -0.702 -2.577 1.00 0.00 C ATOM 1402 C VAL A 96 -7.306 -1.979 -3.356 1.00 0.00 C ATOM 1403 O VAL A 96 -8.396 -2.541 -3.253 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.946 -1.034 -1.074 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.852 -2.054 -0.799 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.725 0.231 -0.259 1.00 0.00 C ATOM 0 H VAL A 96 -8.906 0.174 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.049 -0.300 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.899 -1.470 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.821 -2.276 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.060 -2.969 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.890 -1.649 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.682 -0.022 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.787 0.698 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.548 0.924 -0.433 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.328 -2.431 -4.134 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.484 -3.642 -4.930 1.00 0.00 C ATOM 1418 C GLN A 97 -5.498 -4.718 -4.484 1.00 0.00 C ATOM 1419 O GLN A 97 -4.392 -4.413 -4.042 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.281 -3.332 -6.414 1.00 0.00 C ATOM 1421 CG GLN A 97 -7.556 -2.914 -7.128 1.00 0.00 C ATOM 1422 CD GLN A 97 -7.431 -2.988 -8.637 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -7.984 -3.885 -9.274 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -6.703 -2.042 -9.218 1.00 0.00 N ATOM 0 H GLN A 97 -5.420 -1.977 -4.230 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.496 -4.017 -4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.542 -2.537 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -5.870 -4.213 -6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.376 -3.554 -6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.813 -1.895 -6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.262 -1.317 -8.651 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.584 -2.040 -10.231 1.00 0.00 H new ATOM 1433 N GLU A 98 -5.909 -5.976 -4.604 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.062 -7.097 -4.211 1.00 0.00 C ATOM 1435 C GLU A 98 -4.082 -7.454 -5.325 1.00 0.00 C ATOM 1436 O GLU A 98 -4.451 -7.506 -6.499 1.00 0.00 O ATOM 1437 CB GLU A 98 -5.919 -8.315 -3.861 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.218 -9.312 -2.954 1.00 0.00 C ATOM 1439 CD GLU A 98 -5.730 -10.727 -3.137 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -6.760 -11.071 -2.519 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -5.101 -11.492 -3.898 1.00 0.00 O ATOM 0 H GLU A 98 -6.822 -6.245 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.493 -6.798 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.835 -7.977 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.213 -8.819 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.147 -9.289 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.355 -9.011 -1.915 1.00 0.00 H new ATOM 1448 N PHE A 99 -2.831 -7.697 -4.949 1.00 0.00 N ATOM 1449 CA PHE A 99 -1.797 -8.048 -5.915 1.00 0.00 C ATOM 1450 C PHE A 99 -0.511 -8.466 -5.207 1.00 0.00 C ATOM 1451 O PHE A 99 -0.115 -7.865 -4.209 1.00 0.00 O ATOM 1452 CB PHE A 99 -1.518 -6.867 -6.847 1.00 0.00 C ATOM 1453 CG PHE A 99 -0.203 -6.968 -7.565 1.00 0.00 C ATOM 1454 CD1 PHE A 99 0.977 -6.615 -6.931 1.00 0.00 C ATOM 1455 CD2 PHE A 99 -0.147 -7.416 -8.875 1.00 0.00 C ATOM 1456 CE1 PHE A 99 2.188 -6.706 -7.590 1.00 0.00 C ATOM 1457 CE2 PHE A 99 1.062 -7.509 -9.540 1.00 0.00 C ATOM 1458 CZ PHE A 99 2.231 -7.154 -8.896 1.00 0.00 C ATOM 0 H PHE A 99 -2.509 -7.657 -3.982 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.157 -8.891 -6.505 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.320 -6.797 -7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.536 -5.944 -6.267 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.950 -6.265 -5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.058 -7.696 -9.383 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.101 -6.427 -7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.092 -7.859 -10.561 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.177 -7.226 -9.412 1.00 0.00 H new ATOM 1468 N GLY A 100 0.137 -9.502 -5.732 1.00 0.00 N ATOM 1469 CA GLY A 100 1.371 -9.983 -5.138 1.00 0.00 C ATOM 1470 C GLY A 100 1.259 -10.165 -3.638 1.00 0.00 C ATOM 1471 O GLY A 100 2.229 -9.963 -2.907 1.00 0.00 O ATOM 0 H GLY A 100 -0.170 -10.016 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.645 -10.933 -5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 100 2.174 -9.280 -5.357 1.00 0.00 H new ATOM 1475 N VAL A 101 0.073 -10.546 -3.175 1.00 0.00 N ATOM 1476 CA VAL A 101 -0.162 -10.754 -1.752 1.00 0.00 C ATOM 1477 C VAL A 101 0.295 -12.141 -1.316 1.00 0.00 C ATOM 1478 O VAL A 101 -0.144 -13.162 -1.846 1.00 0.00 O ATOM 1479 CB VAL A 101 -1.651 -10.582 -1.397 1.00 0.00 C ATOM 1480 CG1 VAL A 101 -2.464 -11.757 -1.920 1.00 0.00 C ATOM 1481 CG2 VAL A 101 -1.827 -10.428 0.106 1.00 0.00 C ATOM 0 H VAL A 101 -0.741 -10.717 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 101 0.420 -9.999 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.018 -9.675 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.513 -11.618 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.364 -11.815 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.098 -12.681 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.885 -10.308 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.444 -11.315 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.278 -9.551 0.449 1.00 0.00 H new ATOM 1491 N PRO A 102 1.200 -12.183 -0.327 1.00 0.00 N ATOM 1492 CA PRO A 102 1.736 -13.440 0.203 1.00 0.00 C ATOM 1493 C PRO A 102 0.695 -14.229 0.990 1.00 0.00 C ATOM 1494 O PRO A 102 -0.146 -13.651 1.679 1.00 0.00 O ATOM 1495 CB PRO A 102 2.869 -12.981 1.126 1.00 0.00 C ATOM 1496 CG PRO A 102 2.491 -11.597 1.529 1.00 0.00 C ATOM 1497 CD PRO A 102 1.768 -11.005 0.352 1.00 0.00 C ATOM 0 HA PRO A 102 2.060 -14.112 -0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.963 -13.634 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 102 3.830 -12.995 0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.853 -11.609 2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 102 3.374 -11.009 1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.991 -10.309 0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.445 -10.453 -0.300 1.00 0.00 H new ATOM 1505 N VAL A 103 0.757 -15.552 0.883 1.00 0.00 N ATOM 1506 CA VAL A 103 -0.180 -16.421 1.585 1.00 0.00 C ATOM 1507 C VAL A 103 0.136 -16.479 3.076 1.00 0.00 C ATOM 1508 O VAL A 103 1.182 -16.986 3.478 1.00 0.00 O ATOM 1509 CB VAL A 103 -0.159 -17.850 1.012 1.00 0.00 C ATOM 1510 CG1 VAL A 103 1.240 -18.442 1.104 1.00 0.00 C ATOM 1511 CG2 VAL A 103 -1.167 -18.729 1.735 1.00 0.00 C ATOM 0 H VAL A 103 1.447 -16.046 0.317 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.173 -15.995 1.442 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.440 -17.805 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.235 -19.452 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.935 -17.823 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.553 -18.475 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.138 -19.735 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.919 -18.770 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.167 -18.313 1.611 1.00 0.00 H new ATOM 1521 N GLN A 104 -0.775 -15.955 3.889 1.00 0.00 N ATOM 1522 CA GLN A 104 -0.593 -15.947 5.336 1.00 0.00 C ATOM 1523 C GLN A 104 -0.025 -17.277 5.820 1.00 0.00 C ATOM 1524 O GLN A 104 -0.733 -18.277 5.936 1.00 0.00 O ATOM 1525 CB GLN A 104 -1.922 -15.662 6.037 1.00 0.00 C ATOM 1526 CG GLN A 104 -3.130 -16.221 5.303 1.00 0.00 C ATOM 1527 CD GLN A 104 -3.716 -15.238 4.309 1.00 0.00 C ATOM 1528 OE1 GLN A 104 -3.923 -14.066 4.625 1.00 0.00 O ATOM 1529 NE2 GLN A 104 -3.986 -15.710 3.097 1.00 0.00 N ATOM 0 H GLN A 104 -1.646 -15.531 3.571 1.00 0.00 H new ATOM 0 HA GLN A 104 0.117 -15.157 5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.891 -16.084 7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -2.041 -14.584 6.147 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -2.842 -17.133 4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.895 -16.498 6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.799 -16.688 2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.380 -15.094 2.386 1.00 0.00 H new ATOM 1538 N PRO A 105 1.285 -17.291 6.109 1.00 0.00 N ATOM 1539 CA PRO A 105 1.977 -18.492 6.586 1.00 0.00 C ATOM 1540 C PRO A 105 1.561 -18.879 8.001 1.00 0.00 C ATOM 1541 O PRO A 105 1.141 -18.042 8.801 1.00 0.00 O ATOM 1542 CB PRO A 105 3.453 -18.087 6.555 1.00 0.00 C ATOM 1543 CG PRO A 105 3.441 -16.603 6.687 1.00 0.00 C ATOM 1544 CD PRO A 105 2.190 -16.136 5.994 1.00 0.00 C ATOM 0 HA PRO A 105 1.747 -19.364 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.008 -18.552 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.930 -18.398 5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.441 -16.304 7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.328 -16.163 6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.773 -15.250 6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.380 -15.877 4.953 1.00 0.00 H new ATOM 1552 N PRO A 106 1.678 -20.176 8.320 1.00 0.00 N ATOM 1553 CA PRO A 106 1.320 -20.702 9.640 1.00 0.00 C ATOM 1554 C PRO A 106 2.286 -20.246 10.728 1.00 0.00 C ATOM 1555 O PRO A 106 3.291 -19.594 10.445 1.00 0.00 O ATOM 1556 CB PRO A 106 1.403 -22.219 9.452 1.00 0.00 C ATOM 1557 CG PRO A 106 2.363 -22.409 8.329 1.00 0.00 C ATOM 1558 CD PRO A 106 2.171 -21.229 7.416 1.00 0.00 C ATOM 0 HA PRO A 106 0.340 -20.352 9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.752 -22.712 10.359 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.427 -22.643 9.215 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.388 -22.456 8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.169 -23.344 7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.104 -20.939 6.932 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.455 -21.446 6.623 1.00 0.00 H new ATOM 1566 N ARG A 107 1.975 -20.594 11.973 1.00 0.00 N ATOM 1567 CA ARG A 107 2.816 -20.219 13.103 1.00 0.00 C ATOM 1568 C ARG A 107 3.979 -21.194 13.263 1.00 0.00 C ATOM 1569 O ARG A 107 3.826 -22.408 13.127 1.00 0.00 O ATOM 1570 CB ARG A 107 1.990 -20.180 14.390 1.00 0.00 C ATOM 1571 CG ARG A 107 1.375 -18.820 14.677 1.00 0.00 C ATOM 1572 CD ARG A 107 2.368 -17.892 15.361 1.00 0.00 C ATOM 1573 NE ARG A 107 1.723 -16.694 15.890 1.00 0.00 N ATOM 1574 CZ ARG A 107 2.358 -15.772 16.605 1.00 0.00 C ATOM 1575 NH1 ARG A 107 3.648 -15.911 16.875 1.00 0.00 N ATOM 1576 NH2 ARG A 107 1.702 -14.709 17.052 1.00 0.00 N ATOM 0 H ARG A 107 1.147 -21.135 12.224 1.00 0.00 H new ATOM 0 HA ARG A 107 3.221 -19.226 12.908 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.195 -20.923 14.324 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.625 -20.467 15.228 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.036 -18.369 13.744 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.496 -18.943 15.309 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.863 -18.426 16.173 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.143 -17.603 14.651 1.00 0.00 H new ATOM 0 HE ARG A 107 0.730 -16.557 15.700 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.155 -16.727 16.534 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.133 -15.202 17.424 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.709 -14.599 16.847 1.00 0.00 H new ATOM 0 HH22 ARG A 107 2.191 -14.002 17.601 1.00 0.00 H new ATOM 1590 N PRO A 108 5.170 -20.652 13.556 1.00 0.00 N ATOM 1591 CA PRO A 108 6.382 -21.456 13.740 1.00 0.00 C ATOM 1592 C PRO A 108 6.336 -22.290 15.017 1.00 0.00 C ATOM 1593 O PRO A 108 6.109 -21.764 16.107 1.00 0.00 O ATOM 1594 CB PRO A 108 7.494 -20.408 13.826 1.00 0.00 C ATOM 1595 CG PRO A 108 6.814 -19.173 14.308 1.00 0.00 C ATOM 1596 CD PRO A 108 5.426 -19.213 13.732 1.00 0.00 C ATOM 0 HA PRO A 108 6.519 -22.177 12.934 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.280 -20.721 14.513 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.963 -20.248 12.855 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.784 -19.144 15.397 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.347 -18.281 13.980 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.699 -18.755 14.403 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.368 -18.676 12.785 1.00 0.00 H new ATOM 1604 N THR A 109 6.555 -23.594 14.875 1.00 0.00 N ATOM 1605 CA THR A 109 6.538 -24.500 16.016 1.00 0.00 C ATOM 1606 C THR A 109 6.943 -25.910 15.604 1.00 0.00 C ATOM 1607 O THR A 109 6.230 -26.577 14.855 1.00 0.00 O ATOM 1608 CB THR A 109 5.146 -24.549 16.674 1.00 0.00 C ATOM 1609 OG1 THR A 109 5.113 -25.574 17.673 1.00 0.00 O ATOM 1610 CG2 THR A 109 4.066 -24.811 15.635 1.00 0.00 C ATOM 0 H THR A 109 6.746 -24.046 13.981 1.00 0.00 H new ATOM 0 HA THR A 109 7.259 -24.114 16.737 1.00 0.00 H new ATOM 0 HB THR A 109 4.953 -23.582 17.139 1.00 0.00 H new ATOM 0 HG1 THR A 109 4.225 -25.598 18.088 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.092 -24.841 16.123 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.075 -24.014 14.892 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.256 -25.766 15.145 1.00 0.00 H new ATOM 1618 N ASP A 110 8.091 -26.359 16.099 1.00 0.00 N ATOM 1619 CA ASP A 110 8.591 -27.692 15.783 1.00 0.00 C ATOM 1620 C ASP A 110 9.162 -28.367 17.026 1.00 0.00 C ATOM 1621 O ASP A 110 9.941 -27.781 17.778 1.00 0.00 O ATOM 1622 CB ASP A 110 9.661 -27.615 14.693 1.00 0.00 C ATOM 1623 CG ASP A 110 9.064 -27.519 13.302 1.00 0.00 C ATOM 1624 OD1 ASP A 110 8.537 -26.442 12.956 1.00 0.00 O ATOM 1625 OD2 ASP A 110 9.125 -28.522 12.560 1.00 0.00 O ATOM 0 H ASP A 110 8.693 -25.819 16.721 1.00 0.00 H new ATOM 0 HA ASP A 110 7.755 -28.289 15.418 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.297 -26.748 14.873 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.299 -28.497 14.751 1.00 0.00 H new ATOM 1630 N PRO A 111 8.766 -29.629 17.250 1.00 0.00 N ATOM 1631 CA PRO A 111 9.226 -30.411 18.402 1.00 0.00 C ATOM 1632 C PRO A 111 10.699 -30.788 18.295 1.00 0.00 C ATOM 1633 O PRO A 111 11.433 -30.746 19.281 1.00 0.00 O ATOM 1634 CB PRO A 111 8.347 -31.663 18.354 1.00 0.00 C ATOM 1635 CG PRO A 111 7.951 -31.793 16.923 1.00 0.00 C ATOM 1636 CD PRO A 111 7.839 -30.390 16.396 1.00 0.00 C ATOM 0 HA PRO A 111 9.144 -29.852 19.334 1.00 0.00 H new ATOM 0 HB2 PRO A 111 8.892 -32.543 18.695 1.00 0.00 H new ATOM 0 HB3 PRO A 111 7.474 -31.559 18.999 1.00 0.00 H new ATOM 0 HG2 PRO A 111 8.693 -32.362 16.363 1.00 0.00 H new ATOM 0 HG3 PRO A 111 7.003 -32.323 16.827 1.00 0.00 H new ATOM 0 HD2 PRO A 111 8.122 -30.332 15.345 1.00 0.00 H new ATOM 0 HD3 PRO A 111 6.820 -30.012 16.473 1.00 0.00 H new ATOM 1644 N ASN A 112 11.125 -31.158 17.091 1.00 0.00 N ATOM 1645 CA ASN A 112 12.511 -31.544 16.856 1.00 0.00 C ATOM 1646 C ASN A 112 13.272 -30.431 16.141 1.00 0.00 C ATOM 1647 O ASN A 112 14.103 -30.692 15.270 1.00 0.00 O ATOM 1648 CB ASN A 112 12.572 -32.830 16.030 1.00 0.00 C ATOM 1649 CG ASN A 112 12.089 -32.627 14.607 1.00 0.00 C ATOM 1650 OD1 ASN A 112 10.976 -32.155 14.378 1.00 0.00 O ATOM 1651 ND2 ASN A 112 12.929 -32.983 13.641 1.00 0.00 N ATOM 0 H ASN A 112 10.530 -31.198 16.264 1.00 0.00 H new ATOM 0 HA ASN A 112 12.982 -31.719 17.823 1.00 0.00 H new ATOM 0 HB2 ASN A 112 13.597 -33.200 16.013 1.00 0.00 H new ATOM 0 HB3 ASN A 112 11.965 -33.597 16.511 1.00 0.00 H new ATOM 0 HD21 ASN A 112 12.660 -32.869 12.664 1.00 0.00 H new ATOM 0 HD22 ASN A 112 13.843 -33.370 13.877 1.00 0.00 H new ATOM 1658 N LEU A 113 12.982 -29.190 16.515 1.00 0.00 N ATOM 1659 CA LEU A 113 13.639 -28.036 15.910 1.00 0.00 C ATOM 1660 C LEU A 113 15.120 -28.001 16.272 1.00 0.00 C ATOM 1661 O LEU A 113 15.496 -28.261 17.415 1.00 0.00 O ATOM 1662 CB LEU A 113 12.960 -26.742 16.364 1.00 0.00 C ATOM 1663 CG LEU A 113 13.518 -26.103 17.637 1.00 0.00 C ATOM 1664 CD1 LEU A 113 13.028 -24.670 17.773 1.00 0.00 C ATOM 1665 CD2 LEU A 113 13.128 -26.920 18.860 1.00 0.00 C ATOM 0 H LEU A 113 12.297 -28.957 17.234 1.00 0.00 H new ATOM 0 HA LEU A 113 13.551 -28.125 14.827 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.031 -26.015 15.555 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.900 -26.946 16.518 1.00 0.00 H new ATOM 0 HG LEU A 113 14.606 -26.089 17.567 1.00 0.00 H new ATOM 0 HD11 LEU A 113 13.435 -24.231 18.684 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.358 -24.089 16.912 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.939 -24.661 17.821 1.00 0.00 H new ATOM 0 HD21 LEU A 113 13.534 -26.450 19.756 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.042 -26.967 18.935 1.00 0.00 H new ATOM 0 HD23 LEU A 113 13.529 -27.929 18.766 1.00 0.00 H new ATOM 1677 N ILE A 114 15.956 -27.676 15.291 1.00 0.00 N ATOM 1678 CA ILE A 114 17.395 -27.603 15.507 1.00 0.00 C ATOM 1679 C ILE A 114 17.723 -26.805 16.765 1.00 0.00 C ATOM 1680 O ILE A 114 17.631 -25.578 16.793 1.00 0.00 O ATOM 1681 CB ILE A 114 18.114 -26.963 14.305 1.00 0.00 C ATOM 1682 CG1 ILE A 114 17.884 -27.797 13.043 1.00 0.00 C ATOM 1683 CG2 ILE A 114 19.601 -26.823 14.590 1.00 0.00 C ATOM 1684 CD1 ILE A 114 18.296 -27.092 11.769 1.00 0.00 C ATOM 0 H ILE A 114 15.661 -27.459 14.339 1.00 0.00 H new ATOM 0 HA ILE A 114 17.747 -28.627 15.627 1.00 0.00 H new ATOM 0 HB ILE A 114 17.701 -25.968 14.141 1.00 0.00 H new ATOM 0 HG12 ILE A 114 18.440 -28.731 13.128 1.00 0.00 H new ATOM 0 HG13 ILE A 114 16.828 -28.060 12.978 1.00 0.00 H new ATOM 0 HG21 ILE A 114 20.095 -26.369 13.731 1.00 0.00 H new ATOM 0 HG22 ILE A 114 19.746 -26.192 15.467 1.00 0.00 H new ATOM 0 HG23 ILE A 114 20.030 -27.807 14.777 1.00 0.00 H new ATOM 0 HD11 ILE A 114 18.105 -27.742 10.915 1.00 0.00 H new ATOM 0 HD12 ILE A 114 17.722 -26.172 11.660 1.00 0.00 H new ATOM 0 HD13 ILE A 114 19.359 -26.854 11.812 1.00 0.00 H new ATOM 1696 N PRO A 115 18.117 -27.517 17.831 1.00 0.00 N ATOM 1697 CA PRO A 115 18.469 -26.895 19.111 1.00 0.00 C ATOM 1698 C PRO A 115 19.771 -26.106 19.034 1.00 0.00 C ATOM 1699 O PRO A 115 20.819 -26.652 18.689 1.00 0.00 O ATOM 1700 CB PRO A 115 18.623 -28.090 20.056 1.00 0.00 C ATOM 1701 CG PRO A 115 18.969 -29.234 19.166 1.00 0.00 C ATOM 1702 CD PRO A 115 18.249 -28.983 17.870 1.00 0.00 C ATOM 0 HA PRO A 115 17.718 -26.173 19.433 1.00 0.00 H new ATOM 0 HB2 PRO A 115 19.405 -27.913 20.795 1.00 0.00 H new ATOM 0 HB3 PRO A 115 17.702 -28.281 20.606 1.00 0.00 H new ATOM 0 HG2 PRO A 115 20.046 -29.294 19.009 1.00 0.00 H new ATOM 0 HG3 PRO A 115 18.658 -30.180 19.608 1.00 0.00 H new ATOM 0 HD2 PRO A 115 18.814 -29.358 17.017 1.00 0.00 H new ATOM 0 HD3 PRO A 115 17.276 -29.475 17.849 1.00 0.00 H new ATOM 1710 N SER A 116 19.698 -24.819 19.358 1.00 0.00 N ATOM 1711 CA SER A 116 20.872 -23.954 19.322 1.00 0.00 C ATOM 1712 C SER A 116 21.040 -23.210 20.644 1.00 0.00 C ATOM 1713 O SER A 116 20.084 -23.045 21.401 1.00 0.00 O ATOM 1714 CB SER A 116 20.758 -22.953 18.171 1.00 0.00 C ATOM 1715 OG SER A 116 22.037 -22.513 17.749 1.00 0.00 O ATOM 0 H SER A 116 18.839 -24.352 19.648 1.00 0.00 H new ATOM 0 HA SER A 116 21.750 -24.580 19.164 1.00 0.00 H new ATOM 0 HB2 SER A 116 20.234 -23.415 17.334 1.00 0.00 H new ATOM 0 HB3 SER A 116 20.162 -22.097 18.487 1.00 0.00 H new ATOM 0 HG SER A 116 21.937 -21.875 17.012 1.00 0.00 H new ATOM 1721 N ALA A 117 22.262 -22.765 20.914 1.00 0.00 N ATOM 1722 CA ALA A 117 22.556 -22.037 22.142 1.00 0.00 C ATOM 1723 C ALA A 117 23.930 -21.378 22.074 1.00 0.00 C ATOM 1724 O ALA A 117 24.853 -21.876 21.429 1.00 0.00 O ATOM 1725 CB ALA A 117 22.475 -22.971 23.341 1.00 0.00 C ATOM 0 H ALA A 117 23.065 -22.896 20.299 1.00 0.00 H new ATOM 0 HA ALA A 117 21.810 -21.250 22.257 1.00 0.00 H new ATOM 0 HB1 ALA A 117 22.697 -22.414 24.251 1.00 0.00 H new ATOM 0 HB2 ALA A 117 21.471 -23.391 23.408 1.00 0.00 H new ATOM 0 HB3 ALA A 117 23.199 -23.778 23.223 1.00 0.00 H new ATOM 1731 N PRO A 118 24.071 -20.232 22.755 1.00 0.00 N ATOM 1732 CA PRO A 118 25.329 -19.480 22.787 1.00 0.00 C ATOM 1733 C PRO A 118 26.414 -20.199 23.582 1.00 0.00 C ATOM 1734 O PRO A 118 27.604 -20.043 23.308 1.00 0.00 O ATOM 1735 CB PRO A 118 24.942 -18.169 23.477 1.00 0.00 C ATOM 1736 CG PRO A 118 23.753 -18.514 24.306 1.00 0.00 C ATOM 1737 CD PRO A 118 23.013 -19.580 23.546 1.00 0.00 C ATOM 0 HA PRO A 118 25.748 -19.345 21.790 1.00 0.00 H new ATOM 0 HB2 PRO A 118 25.758 -17.790 24.093 1.00 0.00 H new ATOM 0 HB3 PRO A 118 24.705 -17.393 22.749 1.00 0.00 H new ATOM 0 HG2 PRO A 118 24.054 -18.874 25.290 1.00 0.00 H new ATOM 0 HG3 PRO A 118 23.122 -17.640 24.466 1.00 0.00 H new ATOM 0 HD2 PRO A 118 22.521 -20.284 24.217 1.00 0.00 H new ATOM 0 HD3 PRO A 118 22.239 -19.154 22.908 1.00 0.00 H new TER 1745 PRO A 118