USER MOD reduce.3.24.130724 H: found=0, std=0, add=1100, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1100 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 GLN : amide:sc= -3.94! C(o=-13!,f=-13!) USER MOD Set 1.2: A 94 THR OG1 : rot -11:sc= -8.76! USER MOD Set 2.1: A 70 MET CE :methyl 142:sc= -9.39! (180deg=-6.93!) USER MOD Set 2.2: A 71 SER OG : rot 110:sc= -2.8! USER MOD Set 3.1: A 41 GLN :FLIP amide:sc= -7.39! C(o=-25!,f=-20!) USER MOD Set 3.2: A 47 HIS : no HE2:sc= 0.103 K(o=-20,f=-27!) USER MOD Set 3.3: A 51 GLN : amide:sc= -12.3! C(o=-20!,f=-22!) USER MOD Set 4.1: A 15 ASN :FLIP amide:sc= -2.47! C(o=-5.2!,f=-3.2!) USER MOD Set 4.2: A 107 ASN : amide:sc= -0.739 K(o=-3.2,f=-3.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.112 (180deg=-0.541) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= -0.297 (180deg=-1.03) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= -4.43! (180deg=-4.8!) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.594 USER MOD Single : A 14 TYR OH : rot 110:sc= -1.39 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 45:sc= -0.0666 USER MOD Single : A 31 TYR OH : rot 154:sc= -3.82! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0757 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.107 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.304 F(o=-2.7,f=-0.3) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.84 F(o=-2.5!,f=-1.8) USER MOD Single : A 52 CYS SG : rot -57:sc= 0.45 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.287 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -54:sc= -1! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 137:sc= -0.0996 USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= -3.39! (180deg=-3.84!) USER MOD Single : A 80 THR OG1 : rot 49:sc= -2.31! USER MOD Single : A 87 SER OG : rot 180:sc= 0.227 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -49:sc= 0.25 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 105:sc= 0.00988 USER MOD Single : A 102 LYS NZ :NH3+ 163:sc= -0.897 (180deg=-1.66) USER MOD Single : A 106 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -158:sc= -2.1! (180deg=-2.86!) USER MOD Single : A 115 SER OG : rot 57:sc= 0.603 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -157:sc= -0.197 (180deg=-0.869) USER MOD Single : A 131 LYS NZ :NH3+ 151:sc= -0.152 (180deg=-1.47!) USER MOD Single : A 136 ASN : amide:sc= -1.28! C(o=-1.3!,f=-3.3!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -2.75! C(o=-2.8!,f=-2.7!) USER MOD Single : A 141 SER OG : rot 180:sc= -0.781! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.682 -19.029 7.462 1.00 0.00 N ATOM 2 CA MET A 1 -13.906 -17.787 7.739 1.00 0.00 C ATOM 3 C MET A 1 -12.411 -18.078 7.599 1.00 0.00 C ATOM 4 O MET A 1 -11.627 -17.787 8.480 1.00 0.00 O ATOM 5 CB MET A 1 -14.202 -17.308 9.162 1.00 0.00 C ATOM 6 CG MET A 1 -13.660 -18.327 10.166 1.00 0.00 C ATOM 7 SD MET A 1 -14.909 -18.641 11.439 1.00 0.00 S ATOM 8 CE MET A 1 -14.021 -19.956 12.308 1.00 0.00 C ATOM 0 H1 MET A 1 -15.549 -19.032 8.036 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.934 -19.063 6.454 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.105 -19.860 7.703 1.00 0.00 H new ATOM 0 HA MET A 1 -14.193 -17.012 7.028 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.743 -16.334 9.332 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.276 -17.182 9.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.404 -19.255 9.656 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.745 -17.951 10.624 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.620 -20.306 13.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.837 -20.784 11.624 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.070 -19.571 12.676 1.00 0.00 H new ATOM 20 N ALA A 2 -12.009 -18.651 6.497 1.00 0.00 N ATOM 21 CA ALA A 2 -10.565 -18.960 6.302 1.00 0.00 C ATOM 22 C ALA A 2 -9.817 -17.681 5.922 1.00 0.00 C ATOM 23 O ALA A 2 -8.607 -17.667 5.812 1.00 0.00 O ATOM 24 CB ALA A 2 -10.411 -19.992 5.183 1.00 0.00 C ATOM 0 H ALA A 2 -12.618 -18.918 5.724 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.151 -19.362 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.354 -20.219 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.944 -20.904 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.824 -19.590 4.258 1.00 0.00 H new ATOM 30 N THR A 3 -10.527 -16.605 5.721 1.00 0.00 N ATOM 31 CA THR A 3 -9.855 -15.328 5.348 1.00 0.00 C ATOM 32 C THR A 3 -9.638 -14.481 6.602 1.00 0.00 C ATOM 33 O THR A 3 -10.520 -14.334 7.425 1.00 0.00 O ATOM 34 CB THR A 3 -10.734 -14.558 4.359 1.00 0.00 C ATOM 35 OG1 THR A 3 -11.886 -15.332 4.050 1.00 0.00 O ATOM 36 CG2 THR A 3 -9.945 -14.281 3.078 1.00 0.00 C ATOM 0 H THR A 3 -11.543 -16.555 5.799 1.00 0.00 H new ATOM 0 HA THR A 3 -8.893 -15.546 4.885 1.00 0.00 H new ATOM 0 HB THR A 3 -11.040 -13.612 4.805 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.451 -14.840 3.418 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.573 -13.733 2.375 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.062 -13.687 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.637 -15.225 2.629 1.00 0.00 H new ATOM 44 N LYS A 4 -8.468 -13.920 6.756 1.00 0.00 N ATOM 45 CA LYS A 4 -8.194 -13.083 7.957 1.00 0.00 C ATOM 46 C LYS A 4 -7.445 -11.817 7.535 1.00 0.00 C ATOM 47 O LYS A 4 -6.355 -11.878 7.001 1.00 0.00 O ATOM 48 CB LYS A 4 -7.335 -13.876 8.945 1.00 0.00 C ATOM 49 CG LYS A 4 -8.241 -14.583 9.956 1.00 0.00 C ATOM 50 CD LYS A 4 -8.509 -13.651 11.139 1.00 0.00 C ATOM 51 CE LYS A 4 -9.441 -14.346 12.135 1.00 0.00 C ATOM 52 NZ LYS A 4 -9.079 -15.788 12.231 1.00 0.00 N ATOM 0 H LYS A 4 -7.691 -14.006 6.101 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.136 -12.808 8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.728 -14.607 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.647 -13.208 9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.181 -14.866 9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.769 -15.502 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.571 -13.386 11.627 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.960 -12.722 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.361 -13.874 13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.477 -14.241 11.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.498 -16.195 13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.442 -16.293 11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.044 -15.884 12.271 1.00 0.00 H new ATOM 66 N ILE A 5 -8.025 -10.669 7.765 1.00 0.00 N ATOM 67 CA ILE A 5 -7.353 -9.399 7.374 1.00 0.00 C ATOM 68 C ILE A 5 -6.839 -8.675 8.623 1.00 0.00 C ATOM 69 O ILE A 5 -7.480 -8.666 9.655 1.00 0.00 O ATOM 70 CB ILE A 5 -8.357 -8.505 6.647 1.00 0.00 C ATOM 71 CG1 ILE A 5 -7.725 -7.137 6.380 1.00 0.00 C ATOM 72 CG2 ILE A 5 -9.603 -8.325 7.517 1.00 0.00 C ATOM 73 CD1 ILE A 5 -7.955 -6.749 4.920 1.00 0.00 C ATOM 0 H ILE A 5 -8.937 -10.558 8.208 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.511 -9.622 6.718 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.635 -8.969 5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.161 -6.387 7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.657 -7.169 6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.319 -7.687 6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.056 -9.298 7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.322 -7.862 8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.506 -5.775 4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.498 -7.494 4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -9.026 -6.701 4.721 1.00 0.00 H new ATOM 85 N ASP A 6 -5.690 -8.059 8.532 1.00 0.00 N ATOM 86 CA ASP A 6 -5.140 -7.326 9.708 1.00 0.00 C ATOM 87 C ASP A 6 -5.630 -5.878 9.665 1.00 0.00 C ATOM 88 O ASP A 6 -4.879 -4.947 9.876 1.00 0.00 O ATOM 89 CB ASP A 6 -3.610 -7.350 9.656 1.00 0.00 C ATOM 90 CG ASP A 6 -3.103 -8.713 10.131 1.00 0.00 C ATOM 91 OD1 ASP A 6 -3.864 -9.663 10.058 1.00 0.00 O ATOM 92 OD2 ASP A 6 -1.964 -8.782 10.562 1.00 0.00 O ATOM 0 H ASP A 6 -5.109 -8.032 7.694 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.476 -7.802 10.629 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.267 -7.157 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.202 -6.559 10.285 1.00 0.00 H new ATOM 97 N LYS A 7 -6.891 -5.690 9.385 1.00 0.00 N ATOM 98 CA LYS A 7 -7.460 -4.318 9.313 1.00 0.00 C ATOM 99 C LYS A 7 -6.858 -3.434 10.409 1.00 0.00 C ATOM 100 O LYS A 7 -6.719 -2.239 10.245 1.00 0.00 O ATOM 101 CB LYS A 7 -8.976 -4.413 9.508 1.00 0.00 C ATOM 102 CG LYS A 7 -9.645 -3.090 9.135 1.00 0.00 C ATOM 103 CD LYS A 7 -9.889 -2.260 10.398 1.00 0.00 C ATOM 104 CE LYS A 7 -11.224 -2.662 11.028 1.00 0.00 C ATOM 105 NZ LYS A 7 -11.461 -4.117 10.810 1.00 0.00 N ATOM 0 H LYS A 7 -7.558 -6.440 9.201 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.227 -3.875 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.379 -5.218 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.201 -4.662 10.545 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.014 -2.536 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.590 -3.280 8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.078 -2.416 11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.897 -1.198 10.151 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.215 -2.440 12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.035 -2.081 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.418 -4.365 11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.369 -4.336 9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.761 -4.667 11.348 1.00 0.00 H new ATOM 119 N GLU A 8 -6.511 -4.007 11.526 1.00 0.00 N ATOM 120 CA GLU A 8 -5.931 -3.194 12.634 1.00 0.00 C ATOM 121 C GLU A 8 -4.712 -2.411 12.137 1.00 0.00 C ATOM 122 O GLU A 8 -4.608 -1.217 12.336 1.00 0.00 O ATOM 123 CB GLU A 8 -5.506 -4.122 13.775 1.00 0.00 C ATOM 124 CG GLU A 8 -6.732 -4.504 14.607 1.00 0.00 C ATOM 125 CD GLU A 8 -6.338 -5.560 15.641 1.00 0.00 C ATOM 126 OE1 GLU A 8 -6.340 -6.729 15.294 1.00 0.00 O ATOM 127 OE2 GLU A 8 -6.044 -5.182 16.763 1.00 0.00 O ATOM 0 H GLU A 8 -6.603 -5.004 11.722 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.684 -2.490 12.988 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.033 -5.018 13.372 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.766 -3.627 14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.135 -3.623 15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.519 -4.890 13.959 1.00 0.00 H new ATOM 134 N ALA A 9 -3.782 -3.073 11.506 1.00 0.00 N ATOM 135 CA ALA A 9 -2.564 -2.365 11.014 1.00 0.00 C ATOM 136 C ALA A 9 -2.955 -1.231 10.060 1.00 0.00 C ATOM 137 O ALA A 9 -2.801 -0.067 10.370 1.00 0.00 O ATOM 138 CB ALA A 9 -1.664 -3.359 10.276 1.00 0.00 C ATOM 0 H ALA A 9 -3.812 -4.073 11.309 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.032 -1.943 11.867 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.773 -2.845 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.371 -4.159 10.956 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.206 -3.782 9.430 1.00 0.00 H new ATOM 144 N CYS A 10 -3.443 -1.562 8.896 1.00 0.00 N ATOM 145 CA CYS A 10 -3.825 -0.503 7.916 1.00 0.00 C ATOM 146 C CYS A 10 -4.606 0.615 8.613 1.00 0.00 C ATOM 147 O CYS A 10 -4.224 1.766 8.566 1.00 0.00 O ATOM 148 CB CYS A 10 -4.693 -1.118 6.816 1.00 0.00 C ATOM 149 SG CYS A 10 -5.026 -2.854 7.206 1.00 0.00 S ATOM 0 H CYS A 10 -3.594 -2.520 8.580 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.918 -0.082 7.482 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.630 -0.568 6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.187 -1.041 5.854 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.765 -3.375 6.272 1.00 0.00 H new ATOM 155 N ARG A 11 -5.703 0.298 9.243 1.00 0.00 N ATOM 156 CA ARG A 11 -6.509 1.358 9.916 1.00 0.00 C ATOM 157 C ARG A 11 -5.594 2.298 10.708 1.00 0.00 C ATOM 158 O ARG A 11 -5.573 3.491 10.483 1.00 0.00 O ATOM 159 CB ARG A 11 -7.515 0.708 10.868 1.00 0.00 C ATOM 160 CG ARG A 11 -7.800 1.652 12.038 1.00 0.00 C ATOM 161 CD ARG A 11 -9.083 1.214 12.746 1.00 0.00 C ATOM 162 NE ARG A 11 -9.297 2.060 13.954 1.00 0.00 N ATOM 163 CZ ARG A 11 -10.462 2.074 14.542 1.00 0.00 C ATOM 164 NH1 ARG A 11 -11.439 1.348 14.072 1.00 0.00 N ATOM 165 NH2 ARG A 11 -10.650 2.814 15.600 1.00 0.00 N ATOM 0 H ARG A 11 -6.077 -0.648 9.322 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.038 1.934 9.157 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.440 0.482 10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.121 -0.238 11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.965 1.643 12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.902 2.675 11.677 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.933 1.305 12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.013 0.164 13.032 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.533 2.628 14.321 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.292 0.769 13.245 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.349 1.359 14.532 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.886 3.382 15.968 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.561 2.825 16.059 1.00 0.00 H new ATOM 179 N ALA A 12 -4.847 1.774 11.640 1.00 0.00 N ATOM 180 CA ALA A 12 -3.949 2.643 12.454 1.00 0.00 C ATOM 181 C ALA A 12 -2.989 3.414 11.542 1.00 0.00 C ATOM 182 O ALA A 12 -2.790 4.601 11.704 1.00 0.00 O ATOM 183 CB ALA A 12 -3.141 1.773 13.419 1.00 0.00 C ATOM 0 H ALA A 12 -4.819 0.782 11.874 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.556 3.355 13.014 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.483 2.405 14.016 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.821 1.233 14.078 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.542 1.060 12.852 1.00 0.00 H new ATOM 189 N ALA A 13 -2.380 2.753 10.598 1.00 0.00 N ATOM 190 CA ALA A 13 -1.422 3.456 9.696 1.00 0.00 C ATOM 191 C ALA A 13 -2.181 4.271 8.644 1.00 0.00 C ATOM 192 O ALA A 13 -1.603 5.064 7.927 1.00 0.00 O ATOM 193 CB ALA A 13 -0.538 2.423 8.996 1.00 0.00 C ATOM 0 H ALA A 13 -2.503 1.758 10.411 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.807 4.132 10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.164 2.932 8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.015 1.852 9.742 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.162 1.747 8.411 1.00 0.00 H new ATOM 199 N TYR A 14 -3.468 4.082 8.539 1.00 0.00 N ATOM 200 CA TYR A 14 -4.251 4.846 7.525 1.00 0.00 C ATOM 201 C TYR A 14 -4.570 6.242 8.062 1.00 0.00 C ATOM 202 O TYR A 14 -4.282 7.241 7.433 1.00 0.00 O ATOM 203 CB TYR A 14 -5.555 4.106 7.228 1.00 0.00 C ATOM 204 CG TYR A 14 -5.348 3.166 6.066 1.00 0.00 C ATOM 205 CD1 TYR A 14 -4.131 2.490 5.919 1.00 0.00 C ATOM 206 CD2 TYR A 14 -6.374 2.970 5.133 1.00 0.00 C ATOM 207 CE1 TYR A 14 -3.941 1.619 4.840 1.00 0.00 C ATOM 208 CE2 TYR A 14 -6.182 2.099 4.055 1.00 0.00 C ATOM 209 CZ TYR A 14 -4.966 1.423 3.909 1.00 0.00 C ATOM 210 OH TYR A 14 -4.777 0.565 2.846 1.00 0.00 O ATOM 0 H TYR A 14 -4.011 3.434 9.110 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.664 4.937 6.611 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.877 3.548 8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.346 4.820 6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.339 2.640 6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.313 3.491 5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.002 1.098 4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.973 1.948 3.335 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.331 -0.234 2.968 1.00 0.00 H new ATOM 220 N ASN A 15 -5.167 6.321 9.219 1.00 0.00 N ATOM 221 CA ASN A 15 -5.506 7.652 9.790 1.00 0.00 C ATOM 222 C ASN A 15 -4.238 8.307 10.345 1.00 0.00 C ATOM 223 O ASN A 15 -4.210 9.489 10.623 1.00 0.00 O ATOM 224 CB ASN A 15 -6.530 7.477 10.914 1.00 0.00 C ATOM 225 CG ASN A 15 -6.643 5.995 11.276 1.00 0.00 C ATOM 226 OD1 ASN A 15 -7.231 5.177 10.447 1.00 0.00 O flip ATOM 227 ND2 ASN A 15 -6.190 5.577 12.324 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.434 5.521 9.793 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.929 8.287 9.011 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.228 8.054 11.788 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.501 7.860 10.599 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.730 6.217 12.972 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.270 4.587 12.555 1.00 0.00 H new ATOM 234 N LEU A 16 -3.190 7.546 10.506 1.00 0.00 N ATOM 235 CA LEU A 16 -1.925 8.126 11.040 1.00 0.00 C ATOM 236 C LEU A 16 -1.262 8.984 9.961 1.00 0.00 C ATOM 237 O LEU A 16 -0.916 10.126 10.188 1.00 0.00 O ATOM 238 CB LEU A 16 -0.977 6.996 11.447 1.00 0.00 C ATOM 239 CG LEU A 16 0.323 7.591 11.990 1.00 0.00 C ATOM 240 CD1 LEU A 16 0.747 6.830 13.247 1.00 0.00 C ATOM 241 CD2 LEU A 16 1.419 7.471 10.928 1.00 0.00 C ATOM 0 H LEU A 16 -3.155 6.549 10.291 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.148 8.744 11.910 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.446 6.368 12.205 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.767 6.357 10.589 1.00 0.00 H new ATOM 0 HG LEU A 16 0.167 8.641 12.237 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.674 7.254 13.634 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.034 6.913 14.003 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.904 5.780 13.001 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.347 7.895 11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.574 6.420 10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.118 8.012 10.031 1.00 0.00 H new ATOM 253 N VAL A 17 -1.082 8.443 8.785 1.00 0.00 N ATOM 254 CA VAL A 17 -0.442 9.232 7.694 1.00 0.00 C ATOM 255 C VAL A 17 -1.215 10.531 7.483 1.00 0.00 C ATOM 256 O VAL A 17 -0.833 11.371 6.693 1.00 0.00 O ATOM 257 CB VAL A 17 -0.460 8.422 6.399 1.00 0.00 C ATOM 258 CG1 VAL A 17 -1.880 7.928 6.121 1.00 0.00 C ATOM 259 CG2 VAL A 17 0.007 9.306 5.240 1.00 0.00 C ATOM 0 H VAL A 17 -1.350 7.491 8.534 1.00 0.00 H new ATOM 0 HA VAL A 17 0.588 9.458 7.970 1.00 0.00 H new ATOM 0 HB VAL A 17 0.207 7.566 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.890 7.351 5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.214 7.299 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.550 8.782 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.005 8.730 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.661 10.162 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.020 9.657 5.435 1.00 0.00 H new ATOM 269 N ARG A 18 -2.303 10.702 8.180 1.00 0.00 N ATOM 270 CA ARG A 18 -3.100 11.946 8.014 1.00 0.00 C ATOM 271 C ARG A 18 -2.489 13.060 8.866 1.00 0.00 C ATOM 272 O ARG A 18 -2.808 14.222 8.710 1.00 0.00 O ATOM 273 CB ARG A 18 -4.540 11.692 8.465 1.00 0.00 C ATOM 274 CG ARG A 18 -5.507 12.183 7.389 1.00 0.00 C ATOM 275 CD ARG A 18 -6.932 12.184 7.944 1.00 0.00 C ATOM 276 NE ARG A 18 -6.955 11.472 9.253 1.00 0.00 N ATOM 277 CZ ARG A 18 -7.981 11.600 10.048 1.00 0.00 C ATOM 278 NH1 ARG A 18 -8.988 12.352 9.697 1.00 0.00 N ATOM 279 NH2 ARG A 18 -8.001 10.975 11.194 1.00 0.00 N ATOM 0 H ARG A 18 -2.674 10.034 8.856 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.094 12.245 6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.693 10.628 8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.734 12.208 9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.230 13.187 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.448 11.539 6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.285 13.208 8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.608 11.697 7.241 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.168 10.884 9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.973 12.839 8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.791 12.452 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.214 10.387 11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.803 11.075 11.816 1.00 0.00 H new ATOM 293 N ASP A 19 -1.613 12.712 9.769 1.00 0.00 N ATOM 294 CA ASP A 19 -0.981 13.746 10.636 1.00 0.00 C ATOM 295 C ASP A 19 -0.265 14.780 9.765 1.00 0.00 C ATOM 296 O ASP A 19 -0.646 15.029 8.638 1.00 0.00 O ATOM 297 CB ASP A 19 0.032 13.078 11.567 1.00 0.00 C ATOM 298 CG ASP A 19 1.278 12.687 10.770 1.00 0.00 C ATOM 299 OD1 ASP A 19 1.217 11.697 10.061 1.00 0.00 O ATOM 300 OD2 ASP A 19 2.272 13.386 10.883 1.00 0.00 O ATOM 0 H ASP A 19 -1.308 11.755 9.944 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.751 14.242 11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.303 13.758 12.375 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.410 12.195 12.028 1.00 0.00 H new ATOM 305 N ASP A 20 0.772 15.383 10.277 1.00 0.00 N ATOM 306 CA ASP A 20 1.514 16.398 9.478 1.00 0.00 C ATOM 307 C ASP A 20 2.700 15.727 8.784 1.00 0.00 C ATOM 308 O ASP A 20 3.797 16.249 8.765 1.00 0.00 O ATOM 309 CB ASP A 20 2.023 17.505 10.404 1.00 0.00 C ATOM 310 CG ASP A 20 2.436 16.898 11.747 1.00 0.00 C ATOM 311 OD1 ASP A 20 1.565 16.701 12.577 1.00 0.00 O ATOM 312 OD2 ASP A 20 3.615 16.643 11.920 1.00 0.00 O ATOM 0 H ASP A 20 1.138 15.217 11.215 1.00 0.00 H new ATOM 0 HA ASP A 20 0.850 16.830 8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.871 18.014 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.245 18.254 10.555 1.00 0.00 H new ATOM 317 N GLY A 21 2.489 14.572 8.216 1.00 0.00 N ATOM 318 CA GLY A 21 3.604 13.866 7.525 1.00 0.00 C ATOM 319 C GLY A 21 4.580 13.314 8.565 1.00 0.00 C ATOM 320 O GLY A 21 5.757 13.616 8.547 1.00 0.00 O ATOM 0 H GLY A 21 1.592 14.086 8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.211 13.054 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.121 14.551 6.853 1.00 0.00 H new ATOM 324 N SER A 22 4.103 12.504 9.471 1.00 0.00 N ATOM 325 CA SER A 22 5.005 11.934 10.510 1.00 0.00 C ATOM 326 C SER A 22 5.845 10.814 9.894 1.00 0.00 C ATOM 327 O SER A 22 7.028 10.701 10.146 1.00 0.00 O ATOM 328 CB SER A 22 4.168 11.372 11.660 1.00 0.00 C ATOM 329 OG SER A 22 4.927 10.393 12.356 1.00 0.00 O ATOM 0 H SER A 22 3.128 12.213 9.536 1.00 0.00 H new ATOM 0 HA SER A 22 5.663 12.716 10.890 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.876 12.173 12.339 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.249 10.930 11.275 1.00 0.00 H new ATOM 0 HG SER A 22 4.395 10.031 13.095 1.00 0.00 H new ATOM 335 N ALA A 23 5.242 9.984 9.088 1.00 0.00 N ATOM 336 CA ALA A 23 6.006 8.871 8.456 1.00 0.00 C ATOM 337 C ALA A 23 5.030 7.872 7.834 1.00 0.00 C ATOM 338 O ALA A 23 3.851 8.135 7.709 1.00 0.00 O ATOM 339 CB ALA A 23 6.852 8.165 9.518 1.00 0.00 C ATOM 0 H ALA A 23 4.254 10.028 8.840 1.00 0.00 H new ATOM 0 HA ALA A 23 6.658 9.272 7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.411 7.351 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.548 8.877 9.961 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.201 7.763 10.294 1.00 0.00 H new ATOM 345 N VAL A 24 5.512 6.723 7.440 1.00 0.00 N ATOM 346 CA VAL A 24 4.609 5.710 6.826 1.00 0.00 C ATOM 347 C VAL A 24 3.735 6.385 5.767 1.00 0.00 C ATOM 348 O VAL A 24 2.527 6.267 5.784 1.00 0.00 O ATOM 349 CB VAL A 24 3.717 5.097 7.910 1.00 0.00 C ATOM 350 CG1 VAL A 24 2.657 4.201 7.266 1.00 0.00 C ATOM 351 CG2 VAL A 24 4.573 4.258 8.863 1.00 0.00 C ATOM 0 H VAL A 24 6.490 6.444 7.517 1.00 0.00 H new ATOM 0 HA VAL A 24 5.205 4.925 6.360 1.00 0.00 H new ATOM 0 HB VAL A 24 3.227 5.898 8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.026 3.768 8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.043 4.794 6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.146 3.402 6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.938 3.822 9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.065 3.461 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.327 4.893 9.329 1.00 0.00 H new ATOM 361 N ILE A 25 4.325 7.096 4.844 1.00 0.00 N ATOM 362 CA ILE A 25 3.497 7.769 3.806 1.00 0.00 C ATOM 363 C ILE A 25 2.462 6.762 3.276 1.00 0.00 C ATOM 364 O ILE A 25 1.365 7.132 2.910 1.00 0.00 O ATOM 365 CB ILE A 25 4.397 8.312 2.682 1.00 0.00 C ATOM 366 CG1 ILE A 25 3.538 8.961 1.595 1.00 0.00 C ATOM 367 CG2 ILE A 25 5.226 7.180 2.085 1.00 0.00 C ATOM 368 CD1 ILE A 25 4.440 9.618 0.545 1.00 0.00 C ATOM 0 H ILE A 25 5.332 7.238 4.765 1.00 0.00 H new ATOM 0 HA ILE A 25 2.968 8.621 4.233 1.00 0.00 H new ATOM 0 HB ILE A 25 5.070 9.062 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.903 8.211 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.877 9.706 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.860 7.573 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.850 6.737 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.561 6.419 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.824 10.079 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.056 10.381 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.083 8.862 0.093 1.00 0.00 H new ATOM 380 N TRP A 26 2.778 5.483 3.279 1.00 0.00 N ATOM 381 CA TRP A 26 1.782 4.463 2.825 1.00 0.00 C ATOM 382 C TRP A 26 2.105 3.103 3.443 1.00 0.00 C ATOM 383 O TRP A 26 3.244 2.795 3.736 1.00 0.00 O ATOM 384 CB TRP A 26 1.770 4.336 1.301 1.00 0.00 C ATOM 385 CG TRP A 26 3.164 4.263 0.749 1.00 0.00 C ATOM 386 CD1 TRP A 26 3.837 5.296 0.186 1.00 0.00 C ATOM 387 CD2 TRP A 26 4.055 3.113 0.671 1.00 0.00 C ATOM 388 NE1 TRP A 26 5.084 4.858 -0.211 1.00 0.00 N ATOM 389 CE2 TRP A 26 5.264 3.522 0.058 1.00 0.00 C ATOM 390 CE3 TRP A 26 3.939 1.770 1.070 1.00 0.00 C ATOM 391 CZ2 TRP A 26 6.314 2.634 -0.152 1.00 0.00 C ATOM 392 CZ3 TRP A 26 4.999 0.873 0.857 1.00 0.00 C ATOM 393 CH2 TRP A 26 6.182 1.307 0.247 1.00 0.00 C ATOM 0 H TRP A 26 3.679 5.107 3.575 1.00 0.00 H new ATOM 0 HA TRP A 26 0.796 4.793 3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.215 3.443 1.013 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.249 5.189 0.867 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.458 6.300 0.067 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.786 5.453 -0.650 1.00 0.00 H new ATOM 0 HE3 TRP A 26 3.031 1.426 1.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.226 2.972 -0.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.901 -0.157 1.166 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.993 0.612 0.086 1.00 0.00 H new ATOM 404 N VAL A 27 1.102 2.289 3.648 1.00 0.00 N ATOM 405 CA VAL A 27 1.331 0.944 4.252 1.00 0.00 C ATOM 406 C VAL A 27 1.024 -0.145 3.223 1.00 0.00 C ATOM 407 O VAL A 27 0.127 -0.014 2.414 1.00 0.00 O ATOM 408 CB VAL A 27 0.412 0.767 5.461 1.00 0.00 C ATOM 409 CG1 VAL A 27 1.257 0.575 6.722 1.00 0.00 C ATOM 410 CG2 VAL A 27 -0.468 2.010 5.618 1.00 0.00 C ATOM 0 H VAL A 27 0.130 2.500 3.422 1.00 0.00 H new ATOM 0 HA VAL A 27 2.372 0.864 4.565 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.220 -0.109 5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.601 0.449 7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.883 -0.310 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.890 1.450 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.124 1.885 6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.163 2.886 5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.071 2.145 4.720 1.00 0.00 H new ATOM 420 N THR A 28 1.761 -1.219 3.252 1.00 0.00 N ATOM 421 CA THR A 28 1.511 -2.320 2.278 1.00 0.00 C ATOM 422 C THR A 28 1.612 -3.674 2.989 1.00 0.00 C ATOM 423 O THR A 28 2.552 -3.936 3.712 1.00 0.00 O ATOM 424 CB THR A 28 2.548 -2.256 1.153 1.00 0.00 C ATOM 425 OG1 THR A 28 3.843 -2.109 1.715 1.00 0.00 O ATOM 426 CG2 THR A 28 2.247 -1.066 0.235 1.00 0.00 C ATOM 0 H THR A 28 2.525 -1.383 3.907 1.00 0.00 H new ATOM 0 HA THR A 28 0.511 -2.207 1.858 1.00 0.00 H new ATOM 0 HB THR A 28 2.505 -3.176 0.570 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.944 -2.725 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.988 -1.026 -0.563 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.253 -1.183 -0.198 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.285 -0.142 0.812 1.00 0.00 H new ATOM 434 N PHE A 29 0.659 -4.540 2.767 1.00 0.00 N ATOM 435 CA PHE A 29 0.697 -5.886 3.400 1.00 0.00 C ATOM 436 C PHE A 29 0.713 -6.916 2.285 1.00 0.00 C ATOM 437 O PHE A 29 0.119 -6.720 1.245 1.00 0.00 O ATOM 438 CB PHE A 29 -0.536 -6.113 4.280 1.00 0.00 C ATOM 439 CG PHE A 29 -1.576 -5.054 4.008 1.00 0.00 C ATOM 440 CD1 PHE A 29 -1.448 -3.784 4.580 1.00 0.00 C ATOM 441 CD2 PHE A 29 -2.676 -5.350 3.197 1.00 0.00 C ATOM 442 CE1 PHE A 29 -2.420 -2.808 4.338 1.00 0.00 C ATOM 443 CE2 PHE A 29 -3.651 -4.377 2.957 1.00 0.00 C ATOM 444 CZ PHE A 29 -3.522 -3.105 3.527 1.00 0.00 C ATOM 0 H PHE A 29 -0.149 -4.369 2.169 1.00 0.00 H new ATOM 0 HA PHE A 29 1.581 -5.970 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.953 -7.101 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.250 -6.090 5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.599 -3.557 5.208 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.773 -6.331 2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.321 -1.826 4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.502 -4.606 2.333 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.273 -2.352 3.341 1.00 0.00 H new ATOM 454 N ARG A 30 1.399 -7.997 2.484 1.00 0.00 N ATOM 455 CA ARG A 30 1.472 -9.029 1.421 1.00 0.00 C ATOM 456 C ARG A 30 0.896 -10.343 1.932 1.00 0.00 C ATOM 457 O ARG A 30 1.079 -10.715 3.074 1.00 0.00 O ATOM 458 CB ARG A 30 2.927 -9.222 1.021 1.00 0.00 C ATOM 459 CG ARG A 30 3.768 -9.498 2.270 1.00 0.00 C ATOM 460 CD ARG A 30 5.254 -9.376 1.925 1.00 0.00 C ATOM 461 NE ARG A 30 6.069 -9.937 3.038 1.00 0.00 N ATOM 462 CZ ARG A 30 7.331 -10.213 2.848 1.00 0.00 C ATOM 463 NH1 ARG A 30 7.877 -10.000 1.682 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.046 -10.704 3.824 1.00 0.00 N ATOM 0 H ARG A 30 1.914 -8.213 3.338 1.00 0.00 H new ATOM 0 HA ARG A 30 0.892 -8.707 0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.015 -10.052 0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.296 -8.332 0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.508 -8.792 3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.554 -10.496 2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.468 -9.909 0.999 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.515 -8.331 1.759 1.00 0.00 H new ATOM 0 HE ARG A 30 5.641 -10.106 3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.318 -9.618 0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.863 -10.216 1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.619 -10.872 4.735 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.032 -10.920 3.676 1.00 0.00 H new ATOM 478 N TYR A 31 0.188 -11.039 1.091 1.00 0.00 N ATOM 479 CA TYR A 31 -0.421 -12.326 1.511 1.00 0.00 C ATOM 480 C TYR A 31 0.569 -13.111 2.366 1.00 0.00 C ATOM 481 O TYR A 31 1.439 -13.790 1.859 1.00 0.00 O ATOM 482 CB TYR A 31 -0.777 -13.146 0.271 1.00 0.00 C ATOM 483 CG TYR A 31 -2.276 -13.178 0.106 1.00 0.00 C ATOM 484 CD1 TYR A 31 -2.957 -12.030 -0.314 1.00 0.00 C ATOM 485 CD2 TYR A 31 -2.983 -14.355 0.374 1.00 0.00 C ATOM 486 CE1 TYR A 31 -4.347 -12.060 -0.468 1.00 0.00 C ATOM 487 CE2 TYR A 31 -4.373 -14.385 0.221 1.00 0.00 C ATOM 488 CZ TYR A 31 -5.056 -13.238 -0.200 1.00 0.00 C ATOM 489 OH TYR A 31 -6.427 -13.269 -0.353 1.00 0.00 O ATOM 0 H TYR A 31 0.004 -10.769 0.125 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.321 -12.126 2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.312 -12.710 -0.613 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.389 -14.160 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.410 -11.122 -0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.456 -15.240 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.874 -11.175 -0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.919 -15.293 0.428 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.715 -14.187 -0.539 1.00 0.00 H new ATOM 499 N ASP A 32 0.431 -13.042 3.658 1.00 0.00 N ATOM 500 CA ASP A 32 1.353 -13.807 4.531 1.00 0.00 C ATOM 501 C ASP A 32 0.723 -15.167 4.801 1.00 0.00 C ATOM 502 O ASP A 32 -0.183 -15.297 5.600 1.00 0.00 O ATOM 503 CB ASP A 32 1.554 -13.059 5.851 1.00 0.00 C ATOM 504 CG ASP A 32 3.051 -12.924 6.140 1.00 0.00 C ATOM 505 OD1 ASP A 32 3.647 -11.984 5.640 1.00 0.00 O ATOM 506 OD2 ASP A 32 3.575 -13.762 6.855 1.00 0.00 O ATOM 0 H ASP A 32 -0.277 -12.491 4.144 1.00 0.00 H new ATOM 0 HA ASP A 32 2.323 -13.927 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.093 -12.073 5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.063 -13.595 6.663 1.00 0.00 H new ATOM 511 N GLY A 33 1.181 -16.183 4.128 1.00 0.00 N ATOM 512 CA GLY A 33 0.589 -17.531 4.339 1.00 0.00 C ATOM 513 C GLY A 33 -0.926 -17.445 4.133 1.00 0.00 C ATOM 514 O GLY A 33 -1.398 -17.156 3.052 1.00 0.00 O ATOM 0 H GLY A 33 1.936 -16.139 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.024 -18.247 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.813 -17.888 5.344 1.00 0.00 H new ATOM 518 N ALA A 34 -1.688 -17.704 5.160 1.00 0.00 N ATOM 519 CA ALA A 34 -3.172 -17.649 5.021 1.00 0.00 C ATOM 520 C ALA A 34 -3.728 -16.424 5.757 1.00 0.00 C ATOM 521 O ALA A 34 -4.873 -16.403 6.163 1.00 0.00 O ATOM 522 CB ALA A 34 -3.783 -18.918 5.620 1.00 0.00 C ATOM 0 H ALA A 34 -1.348 -17.951 6.089 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.428 -17.575 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.868 -18.882 5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.399 -19.791 5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.518 -18.987 6.675 1.00 0.00 H new ATOM 528 N THR A 35 -2.931 -15.402 5.926 1.00 0.00 N ATOM 529 CA THR A 35 -3.424 -14.182 6.632 1.00 0.00 C ATOM 530 C THR A 35 -2.767 -12.933 6.032 1.00 0.00 C ATOM 531 O THR A 35 -1.571 -12.890 5.827 1.00 0.00 O ATOM 532 CB THR A 35 -3.071 -14.280 8.118 1.00 0.00 C ATOM 533 OG1 THR A 35 -3.482 -15.544 8.618 1.00 0.00 O ATOM 534 CG2 THR A 35 -3.782 -13.168 8.891 1.00 0.00 C ATOM 0 H THR A 35 -1.963 -15.359 5.607 1.00 0.00 H new ATOM 0 HA THR A 35 -4.505 -14.109 6.515 1.00 0.00 H new ATOM 0 HB THR A 35 -1.994 -14.172 8.242 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.255 -15.609 9.569 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.529 -13.241 9.949 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.465 -12.198 8.508 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.860 -13.272 8.768 1.00 0.00 H new ATOM 542 N ILE A 36 -3.535 -11.909 5.761 1.00 0.00 N ATOM 543 CA ILE A 36 -2.944 -10.662 5.190 1.00 0.00 C ATOM 544 C ILE A 36 -2.351 -9.832 6.331 1.00 0.00 C ATOM 545 O ILE A 36 -3.064 -9.322 7.171 1.00 0.00 O ATOM 546 CB ILE A 36 -4.036 -9.852 4.482 1.00 0.00 C ATOM 547 CG1 ILE A 36 -4.506 -10.601 3.230 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.483 -8.482 4.078 1.00 0.00 C ATOM 549 CD1 ILE A 36 -5.690 -11.500 3.589 1.00 0.00 C ATOM 0 H ILE A 36 -4.544 -11.882 5.910 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.166 -10.917 4.471 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.878 -9.717 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.796 -9.891 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.691 -11.200 2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.262 -7.909 3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.155 -7.945 4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.638 -8.616 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.025 -12.033 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.384 -12.219 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.506 -10.890 3.975 1.00 0.00 H new ATOM 561 N VAL A 37 -1.051 -9.704 6.374 1.00 0.00 N ATOM 562 CA VAL A 37 -0.418 -8.916 7.472 1.00 0.00 C ATOM 563 C VAL A 37 0.668 -7.998 6.899 1.00 0.00 C ATOM 564 O VAL A 37 1.266 -8.297 5.884 1.00 0.00 O ATOM 565 CB VAL A 37 0.214 -9.883 8.476 1.00 0.00 C ATOM 566 CG1 VAL A 37 -0.547 -11.209 8.453 1.00 0.00 C ATOM 567 CG2 VAL A 37 1.678 -10.133 8.101 1.00 0.00 C ATOM 0 H VAL A 37 -0.402 -10.109 5.699 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.175 -8.306 7.965 1.00 0.00 H new ATOM 0 HB VAL A 37 0.165 -9.448 9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.098 -11.899 9.168 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.589 -11.035 8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.497 -11.640 7.453 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.125 -10.822 8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.729 -10.566 7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.224 -9.190 8.116 1.00 0.00 H new ATOM 577 N PRO A 38 0.932 -6.892 7.552 1.00 0.00 N ATOM 578 CA PRO A 38 1.973 -5.928 7.109 1.00 0.00 C ATOM 579 C PRO A 38 3.219 -6.630 6.566 1.00 0.00 C ATOM 580 O PRO A 38 3.660 -7.632 7.093 1.00 0.00 O ATOM 581 CB PRO A 38 2.307 -5.159 8.385 1.00 0.00 C ATOM 582 CG PRO A 38 1.062 -5.196 9.212 1.00 0.00 C ATOM 583 CD PRO A 38 0.267 -6.437 8.784 1.00 0.00 C ATOM 0 HA PRO A 38 1.624 -5.295 6.293 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.142 -5.619 8.913 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.598 -4.133 8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.307 -5.243 10.273 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.473 -4.291 9.061 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.288 -7.208 9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.780 -6.195 8.604 1.00 0.00 H new ATOM 591 N GLY A 39 3.792 -6.106 5.518 1.00 0.00 N ATOM 592 CA GLY A 39 5.014 -6.730 4.938 1.00 0.00 C ATOM 593 C GLY A 39 6.049 -5.644 4.677 1.00 0.00 C ATOM 594 O GLY A 39 7.240 -5.853 4.785 1.00 0.00 O ATOM 0 H GLY A 39 3.465 -5.269 5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.416 -7.477 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.769 -7.247 4.010 1.00 0.00 H new ATOM 598 N ASP A 40 5.585 -4.485 4.331 1.00 0.00 N ATOM 599 CA ASP A 40 6.500 -3.354 4.050 1.00 0.00 C ATOM 600 C ASP A 40 5.867 -2.067 4.559 1.00 0.00 C ATOM 601 O ASP A 40 4.797 -2.069 5.134 1.00 0.00 O ATOM 602 CB ASP A 40 6.726 -3.231 2.549 1.00 0.00 C ATOM 603 CG ASP A 40 8.172 -3.599 2.214 1.00 0.00 C ATOM 604 OD1 ASP A 40 9.061 -2.906 2.679 1.00 0.00 O ATOM 605 OD2 ASP A 40 8.366 -4.568 1.499 1.00 0.00 O ATOM 0 H ASP A 40 4.593 -4.269 4.229 1.00 0.00 H new ATOM 0 HA ASP A 40 7.454 -3.530 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.040 -3.887 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.514 -2.213 2.222 1.00 0.00 H new ATOM 610 N GLN A 41 6.524 -0.967 4.354 1.00 0.00 N ATOM 611 CA GLN A 41 5.969 0.329 4.827 1.00 0.00 C ATOM 612 C GLN A 41 6.179 1.406 3.782 1.00 0.00 C ATOM 613 O GLN A 41 6.708 1.169 2.717 1.00 0.00 O ATOM 614 CB GLN A 41 6.696 0.771 6.086 1.00 0.00 C ATOM 615 CG GLN A 41 8.118 1.234 5.724 1.00 0.00 C ATOM 616 CD GLN A 41 8.772 0.237 4.754 1.00 0.00 C ATOM 617 OE1 GLN A 41 8.836 0.513 3.470 1.00 0.00 O flip ATOM 618 NE2 GLN A 41 9.233 -0.808 5.167 1.00 0.00 N flip ATOM 0 H GLN A 41 7.424 -0.906 3.878 1.00 0.00 H new ATOM 0 HA GLN A 41 4.905 0.189 5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.150 1.582 6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.741 -0.051 6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.081 2.224 5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.721 1.321 6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.187 -1.028 6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.667 -1.466 4.519 1.00 0.00 H new ATOM 627 N GLY A 42 5.789 2.602 4.108 1.00 0.00 N ATOM 628 CA GLY A 42 5.973 3.736 3.176 1.00 0.00 C ATOM 629 C GLY A 42 6.861 4.779 3.854 1.00 0.00 C ATOM 630 O GLY A 42 6.388 5.740 4.428 1.00 0.00 O ATOM 0 H GLY A 42 5.344 2.843 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.431 3.394 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.009 4.172 2.914 1.00 0.00 H new ATOM 634 N ALA A 43 8.149 4.593 3.779 1.00 0.00 N ATOM 635 CA ALA A 43 9.087 5.566 4.402 1.00 0.00 C ATOM 636 C ALA A 43 9.714 6.412 3.296 1.00 0.00 C ATOM 637 O ALA A 43 10.917 6.462 3.163 1.00 0.00 O ATOM 638 CB ALA A 43 10.184 4.812 5.157 1.00 0.00 C ATOM 0 H ALA A 43 8.594 3.804 3.310 1.00 0.00 H new ATOM 0 HA ALA A 43 8.551 6.205 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.870 5.527 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.733 4.196 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.732 4.175 4.462 1.00 0.00 H new ATOM 644 N ASP A 44 8.873 7.055 2.513 1.00 0.00 N ATOM 645 CA ASP A 44 9.308 7.923 1.365 1.00 0.00 C ATOM 646 C ASP A 44 8.700 7.350 0.088 1.00 0.00 C ATOM 647 O ASP A 44 8.639 6.150 -0.092 1.00 0.00 O ATOM 648 CB ASP A 44 10.834 7.984 1.209 1.00 0.00 C ATOM 649 CG ASP A 44 11.182 8.888 0.026 1.00 0.00 C ATOM 650 OD1 ASP A 44 10.380 9.751 -0.291 1.00 0.00 O ATOM 651 OD2 ASP A 44 12.245 8.704 -0.544 1.00 0.00 O ATOM 0 H ASP A 44 7.861 7.010 2.629 1.00 0.00 H new ATOM 0 HA ASP A 44 8.967 8.940 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.290 8.368 2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.236 6.983 1.048 1.00 0.00 H new ATOM 656 N TYR A 45 8.255 8.187 -0.805 1.00 0.00 N ATOM 657 CA TYR A 45 7.663 7.660 -2.064 1.00 0.00 C ATOM 658 C TYR A 45 8.698 6.771 -2.750 1.00 0.00 C ATOM 659 O TYR A 45 8.409 5.668 -3.166 1.00 0.00 O ATOM 660 CB TYR A 45 7.293 8.825 -2.985 1.00 0.00 C ATOM 661 CG TYR A 45 6.299 8.354 -4.018 1.00 0.00 C ATOM 662 CD1 TYR A 45 5.034 7.904 -3.619 1.00 0.00 C ATOM 663 CD2 TYR A 45 6.640 8.369 -5.377 1.00 0.00 C ATOM 664 CE1 TYR A 45 4.112 7.468 -4.578 1.00 0.00 C ATOM 665 CE2 TYR A 45 5.717 7.933 -6.335 1.00 0.00 C ATOM 666 CZ TYR A 45 4.453 7.483 -5.936 1.00 0.00 C ATOM 667 OH TYR A 45 3.543 7.054 -6.881 1.00 0.00 O ATOM 0 H TYR A 45 8.275 9.203 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 45 6.764 7.085 -1.843 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.868 9.642 -2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.186 9.213 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.770 7.893 -2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.615 8.717 -5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.137 7.120 -4.270 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.980 7.944 -7.382 1.00 0.00 H new ATOM 0 HH TYR A 45 3.939 7.130 -7.774 1.00 0.00 H new ATOM 677 N GLN A 46 9.909 7.241 -2.859 1.00 0.00 N ATOM 678 CA GLN A 46 10.970 6.428 -3.506 1.00 0.00 C ATOM 679 C GLN A 46 11.036 5.054 -2.838 1.00 0.00 C ATOM 680 O GLN A 46 11.294 4.055 -3.480 1.00 0.00 O ATOM 681 CB GLN A 46 12.310 7.145 -3.355 1.00 0.00 C ATOM 682 CG GLN A 46 12.162 8.600 -3.807 1.00 0.00 C ATOM 683 CD GLN A 46 11.539 8.639 -5.205 1.00 0.00 C ATOM 684 OE1 GLN A 46 10.239 8.668 -5.329 1.00 0.00 O flip ATOM 685 NE2 GLN A 46 12.243 8.643 -6.195 1.00 0.00 N flip ATOM 0 H GLN A 46 10.209 8.157 -2.526 1.00 0.00 H new ATOM 0 HA GLN A 46 10.745 6.299 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 46 12.640 7.107 -2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.073 6.643 -3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.537 9.149 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.136 9.090 -3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.258 8.620 -6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.819 8.669 -7.122 1.00 0.00 H new ATOM 694 N HIS A 47 10.800 4.989 -1.554 1.00 0.00 N ATOM 695 CA HIS A 47 10.844 3.670 -0.861 1.00 0.00 C ATOM 696 C HIS A 47 9.927 2.696 -1.594 1.00 0.00 C ATOM 697 O HIS A 47 10.146 1.502 -1.596 1.00 0.00 O ATOM 698 CB HIS A 47 10.362 3.822 0.584 1.00 0.00 C ATOM 699 CG HIS A 47 11.204 2.965 1.488 1.00 0.00 C ATOM 700 ND1 HIS A 47 10.647 2.104 2.423 1.00 0.00 N ATOM 701 CD2 HIS A 47 12.565 2.824 1.612 1.00 0.00 C ATOM 702 CE1 HIS A 47 11.660 1.489 3.063 1.00 0.00 C ATOM 703 NE2 HIS A 47 12.846 1.893 2.606 1.00 0.00 N ATOM 0 H HIS A 47 10.580 5.788 -0.959 1.00 0.00 H new ATOM 0 HA HIS A 47 11.868 3.296 -0.859 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.426 4.866 0.892 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.315 3.531 0.661 1.00 0.00 H new ATOM 0 HD1 HIS A 47 9.651 1.963 2.594 1.00 0.00 H new ATOM 0 HD2 HIS A 47 13.303 3.354 1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.528 0.760 3.848 1.00 0.00 H new ATOM 712 N PHE A 48 8.900 3.201 -2.219 1.00 0.00 N ATOM 713 CA PHE A 48 7.966 2.309 -2.955 1.00 0.00 C ATOM 714 C PHE A 48 8.692 1.749 -4.178 1.00 0.00 C ATOM 715 O PHE A 48 8.491 0.620 -4.571 1.00 0.00 O ATOM 716 CB PHE A 48 6.713 3.113 -3.355 1.00 0.00 C ATOM 717 CG PHE A 48 6.618 3.285 -4.858 1.00 0.00 C ATOM 718 CD1 PHE A 48 6.445 2.174 -5.695 1.00 0.00 C ATOM 719 CD2 PHE A 48 6.690 4.570 -5.412 1.00 0.00 C ATOM 720 CE1 PHE A 48 6.353 2.349 -7.081 1.00 0.00 C ATOM 721 CE2 PHE A 48 6.595 4.745 -6.795 1.00 0.00 C ATOM 722 CZ PHE A 48 6.428 3.635 -7.629 1.00 0.00 C ATOM 0 H PHE A 48 8.668 4.194 -2.251 1.00 0.00 H new ATOM 0 HA PHE A 48 7.645 1.475 -2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.821 2.604 -2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.740 4.092 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.383 1.183 -5.271 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.819 5.428 -4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.224 1.493 -7.727 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.650 5.737 -7.219 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.357 3.770 -8.698 1.00 0.00 H new ATOM 732 N ILE A 49 9.545 2.529 -4.775 1.00 0.00 N ATOM 733 CA ILE A 49 10.295 2.043 -5.966 1.00 0.00 C ATOM 734 C ILE A 49 11.411 1.101 -5.518 1.00 0.00 C ATOM 735 O ILE A 49 11.993 0.390 -6.312 1.00 0.00 O ATOM 736 CB ILE A 49 10.898 3.243 -6.693 1.00 0.00 C ATOM 737 CG1 ILE A 49 9.823 4.314 -6.818 1.00 0.00 C ATOM 738 CG2 ILE A 49 11.367 2.821 -8.088 1.00 0.00 C ATOM 739 CD1 ILE A 49 10.253 5.370 -7.838 1.00 0.00 C ATOM 0 H ILE A 49 9.757 3.485 -4.490 1.00 0.00 H new ATOM 0 HA ILE A 49 9.622 1.506 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 49 11.753 3.628 -6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.881 3.861 -7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.650 4.782 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.796 3.680 -8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 49 12.120 2.039 -7.997 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.518 2.443 -8.658 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.478 6.132 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 49 11.184 5.833 -7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.403 4.898 -8.809 1.00 0.00 H new ATOM 751 N GLN A 50 11.718 1.088 -4.252 1.00 0.00 N ATOM 752 CA GLN A 50 12.799 0.189 -3.768 1.00 0.00 C ATOM 753 C GLN A 50 12.210 -1.178 -3.434 1.00 0.00 C ATOM 754 O GLN A 50 12.717 -2.205 -3.839 1.00 0.00 O ATOM 755 CB GLN A 50 13.439 0.790 -2.516 1.00 0.00 C ATOM 756 CG GLN A 50 14.341 -0.254 -1.853 1.00 0.00 C ATOM 757 CD GLN A 50 15.249 -0.890 -2.907 1.00 0.00 C ATOM 758 OE1 GLN A 50 15.063 -2.136 -3.243 1.00 0.00 O flip ATOM 759 NE2 GLN A 50 16.136 -0.245 -3.431 1.00 0.00 N flip ATOM 0 H GLN A 50 11.269 1.658 -3.535 1.00 0.00 H new ATOM 0 HA GLN A 50 13.556 0.078 -4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.020 1.673 -2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.666 1.114 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 50 14.943 0.213 -1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 50 13.734 -1.020 -1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 50 16.281 0.730 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.735 -0.678 -4.134 1.00 0.00 H new ATOM 768 N GLN A 51 11.161 -1.192 -2.664 1.00 0.00 N ATOM 769 CA GLN A 51 10.545 -2.481 -2.254 1.00 0.00 C ATOM 770 C GLN A 51 9.205 -2.704 -2.964 1.00 0.00 C ATOM 771 O GLN A 51 8.189 -2.917 -2.331 1.00 0.00 O ATOM 772 CB GLN A 51 10.315 -2.437 -0.751 1.00 0.00 C ATOM 773 CG GLN A 51 9.637 -1.114 -0.389 1.00 0.00 C ATOM 774 CD GLN A 51 8.419 -1.416 0.476 1.00 0.00 C ATOM 775 OE1 GLN A 51 8.308 -0.938 1.587 1.00 0.00 O ATOM 776 NE2 GLN A 51 7.490 -2.201 -0.004 1.00 0.00 N ATOM 0 H GLN A 51 10.700 -0.359 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 51 11.211 -3.300 -2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.692 -3.276 -0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.263 -2.531 -0.222 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.331 -0.467 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.338 -0.582 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.591 -2.598 -0.938 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.665 -2.416 0.556 1.00 0.00 H new ATOM 785 N CYS A 52 9.192 -2.673 -4.265 1.00 0.00 N ATOM 786 CA CYS A 52 7.914 -2.901 -5.002 1.00 0.00 C ATOM 787 C CYS A 52 8.228 -3.249 -6.455 1.00 0.00 C ATOM 788 O CYS A 52 7.868 -2.536 -7.370 1.00 0.00 O ATOM 789 CB CYS A 52 7.051 -1.640 -4.953 1.00 0.00 C ATOM 790 SG CYS A 52 5.312 -2.092 -5.171 1.00 0.00 S ATOM 0 H CYS A 52 10.008 -2.500 -4.852 1.00 0.00 H new ATOM 0 HA CYS A 52 7.369 -3.722 -4.536 1.00 0.00 H new ATOM 0 HB2 CYS A 52 7.189 -1.129 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.358 -0.945 -5.735 1.00 0.00 H new ATOM 0 HG CYS A 52 5.169 -2.743 -6.287 1.00 0.00 H new ATOM 796 N THR A 53 8.907 -4.340 -6.671 1.00 0.00 N ATOM 797 CA THR A 53 9.258 -4.738 -8.064 1.00 0.00 C ATOM 798 C THR A 53 8.126 -5.571 -8.669 1.00 0.00 C ATOM 799 O THR A 53 7.360 -6.202 -7.969 1.00 0.00 O ATOM 800 CB THR A 53 10.545 -5.568 -8.047 1.00 0.00 C ATOM 801 OG1 THR A 53 10.227 -6.924 -7.766 1.00 0.00 O ATOM 802 CG2 THR A 53 11.488 -5.029 -6.969 1.00 0.00 C ATOM 0 H THR A 53 9.235 -4.975 -5.943 1.00 0.00 H new ATOM 0 HA THR A 53 9.406 -3.841 -8.666 1.00 0.00 H new ATOM 0 HB THR A 53 11.034 -5.502 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.049 -7.458 -7.756 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.404 -5.620 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.731 -3.989 -7.185 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.002 -5.094 -5.995 1.00 0.00 H new ATOM 810 N ASP A 54 8.015 -5.573 -9.972 1.00 0.00 N ATOM 811 CA ASP A 54 6.936 -6.361 -10.632 1.00 0.00 C ATOM 812 C ASP A 54 6.873 -7.761 -10.019 1.00 0.00 C ATOM 813 O ASP A 54 5.940 -8.506 -10.245 1.00 0.00 O ATOM 814 CB ASP A 54 7.232 -6.474 -12.129 1.00 0.00 C ATOM 815 CG ASP A 54 7.921 -7.810 -12.413 1.00 0.00 C ATOM 816 OD1 ASP A 54 9.137 -7.856 -12.332 1.00 0.00 O ATOM 817 OD2 ASP A 54 7.220 -8.764 -12.709 1.00 0.00 O ATOM 0 H ASP A 54 8.627 -5.061 -10.607 1.00 0.00 H new ATOM 0 HA ASP A 54 5.980 -5.859 -10.485 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.306 -6.401 -12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.869 -5.649 -12.448 1.00 0.00 H new ATOM 822 N ASP A 55 7.857 -8.126 -9.244 1.00 0.00 N ATOM 823 CA ASP A 55 7.848 -9.478 -8.618 1.00 0.00 C ATOM 824 C ASP A 55 7.216 -9.390 -7.227 1.00 0.00 C ATOM 825 O ASP A 55 7.615 -10.076 -6.308 1.00 0.00 O ATOM 826 CB ASP A 55 9.283 -9.993 -8.494 1.00 0.00 C ATOM 827 CG ASP A 55 9.293 -11.516 -8.631 1.00 0.00 C ATOM 828 OD1 ASP A 55 8.930 -12.180 -7.673 1.00 0.00 O ATOM 829 OD2 ASP A 55 9.662 -11.995 -9.691 1.00 0.00 O ATOM 0 H ASP A 55 8.666 -7.547 -9.017 1.00 0.00 H new ATOM 0 HA ASP A 55 7.269 -10.162 -9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.909 -9.544 -9.265 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.703 -9.701 -7.532 1.00 0.00 H new ATOM 834 N VAL A 56 6.232 -8.546 -7.066 1.00 0.00 N ATOM 835 CA VAL A 56 5.576 -8.413 -5.735 1.00 0.00 C ATOM 836 C VAL A 56 4.085 -8.128 -5.928 1.00 0.00 C ATOM 837 O VAL A 56 3.690 -7.455 -6.859 1.00 0.00 O ATOM 838 CB VAL A 56 6.220 -7.261 -4.963 1.00 0.00 C ATOM 839 CG1 VAL A 56 5.403 -6.968 -3.704 1.00 0.00 C ATOM 840 CG2 VAL A 56 7.646 -7.648 -4.565 1.00 0.00 C ATOM 0 H VAL A 56 5.855 -7.944 -7.798 1.00 0.00 H new ATOM 0 HA VAL A 56 5.699 -9.340 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 56 6.246 -6.372 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.863 -6.147 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.387 -6.692 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.376 -7.856 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.106 -6.827 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.619 -8.537 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.230 -7.856 -5.461 1.00 0.00 H new ATOM 850 N ARG A 57 3.257 -8.637 -5.054 1.00 0.00 N ATOM 851 CA ARG A 57 1.790 -8.396 -5.187 1.00 0.00 C ATOM 852 C ARG A 57 1.217 -7.941 -3.839 1.00 0.00 C ATOM 853 O ARG A 57 1.349 -8.620 -2.841 1.00 0.00 O ATOM 854 CB ARG A 57 1.094 -9.686 -5.634 1.00 0.00 C ATOM 855 CG ARG A 57 2.130 -10.802 -5.806 1.00 0.00 C ATOM 856 CD ARG A 57 2.730 -11.158 -4.442 1.00 0.00 C ATOM 857 NE ARG A 57 4.225 -11.196 -4.530 1.00 0.00 N ATOM 858 CZ ARG A 57 4.829 -11.803 -5.518 1.00 0.00 C ATOM 859 NH1 ARG A 57 4.138 -12.458 -6.411 1.00 0.00 N ATOM 860 NH2 ARG A 57 6.130 -11.775 -5.599 1.00 0.00 N ATOM 0 H ARG A 57 3.533 -9.208 -4.255 1.00 0.00 H new ATOM 0 HA ARG A 57 1.619 -7.618 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.347 -9.981 -4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.567 -9.519 -6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.663 -11.681 -6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.917 -10.480 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.421 -10.424 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.353 -12.126 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 57 4.781 -10.740 -3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.121 -12.498 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.615 -12.930 -7.180 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.674 -11.280 -4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.603 -12.248 -6.369 1.00 0.00 H new ATOM 874 N LEU A 58 0.587 -6.792 -3.794 1.00 0.00 N ATOM 875 CA LEU A 58 0.027 -6.313 -2.495 1.00 0.00 C ATOM 876 C LEU A 58 -0.816 -5.046 -2.701 1.00 0.00 C ATOM 877 O LEU A 58 -1.101 -4.653 -3.813 1.00 0.00 O ATOM 878 CB LEU A 58 1.186 -6.020 -1.539 1.00 0.00 C ATOM 879 CG LEU A 58 2.178 -5.044 -2.194 1.00 0.00 C ATOM 880 CD1 LEU A 58 1.672 -3.602 -2.076 1.00 0.00 C ATOM 881 CD2 LEU A 58 3.532 -5.158 -1.491 1.00 0.00 C ATOM 0 H LEU A 58 0.438 -6.173 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.619 -7.084 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.804 -5.594 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.695 -6.948 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 58 2.277 -5.298 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.387 -2.926 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.707 -3.513 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.562 -3.340 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.240 -4.468 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.416 -4.909 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.906 -6.178 -1.585 1.00 0.00 H new ATOM 893 N PHE A 59 -1.221 -4.408 -1.631 1.00 0.00 N ATOM 894 CA PHE A 59 -2.047 -3.165 -1.752 1.00 0.00 C ATOM 895 C PHE A 59 -1.286 -1.994 -1.127 1.00 0.00 C ATOM 896 O PHE A 59 -0.480 -2.178 -0.239 1.00 0.00 O ATOM 897 CB PHE A 59 -3.374 -3.350 -1.010 1.00 0.00 C ATOM 898 CG PHE A 59 -3.895 -4.750 -1.232 1.00 0.00 C ATOM 899 CD1 PHE A 59 -3.248 -5.844 -0.644 1.00 0.00 C ATOM 900 CD2 PHE A 59 -5.032 -4.953 -2.022 1.00 0.00 C ATOM 901 CE1 PHE A 59 -3.737 -7.140 -0.849 1.00 0.00 C ATOM 902 CE2 PHE A 59 -5.522 -6.247 -2.226 1.00 0.00 C ATOM 903 CZ PHE A 59 -4.875 -7.341 -1.640 1.00 0.00 C ATOM 0 H PHE A 59 -1.015 -4.695 -0.674 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.244 -2.964 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.233 -3.170 0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.103 -2.621 -1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.372 -5.688 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.532 -4.109 -2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.237 -7.984 -0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.400 -6.402 -2.836 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.253 -8.340 -1.798 1.00 0.00 H new ATOM 913 N ALA A 60 -1.541 -0.785 -1.561 1.00 0.00 N ATOM 914 CA ALA A 60 -0.827 0.385 -0.970 1.00 0.00 C ATOM 915 C ALA A 60 -1.828 1.517 -0.723 1.00 0.00 C ATOM 916 O ALA A 60 -2.871 1.582 -1.344 1.00 0.00 O ATOM 917 CB ALA A 60 0.256 0.865 -1.939 1.00 0.00 C ATOM 0 H ALA A 60 -2.211 -0.559 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.366 0.093 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.777 1.719 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.967 0.059 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.204 1.159 -2.882 1.00 0.00 H new ATOM 923 N PHE A 61 -1.526 2.405 0.185 1.00 0.00 N ATOM 924 CA PHE A 61 -2.465 3.527 0.478 1.00 0.00 C ATOM 925 C PHE A 61 -1.666 4.754 0.928 1.00 0.00 C ATOM 926 O PHE A 61 -1.207 4.820 2.050 1.00 0.00 O ATOM 927 CB PHE A 61 -3.415 3.083 1.592 1.00 0.00 C ATOM 928 CG PHE A 61 -4.181 4.259 2.145 1.00 0.00 C ATOM 929 CD1 PHE A 61 -5.390 4.644 1.557 1.00 0.00 C ATOM 930 CD2 PHE A 61 -3.692 4.948 3.260 1.00 0.00 C ATOM 931 CE1 PHE A 61 -6.111 5.720 2.085 1.00 0.00 C ATOM 932 CE2 PHE A 61 -4.411 6.027 3.786 1.00 0.00 C ATOM 933 CZ PHE A 61 -5.621 6.412 3.200 1.00 0.00 C ATOM 0 H PHE A 61 -0.669 2.402 0.738 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.037 3.787 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.112 2.339 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.848 2.605 2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.766 4.111 0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.760 4.647 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.046 6.017 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.032 6.562 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.178 7.243 3.607 1.00 0.00 H new ATOM 943 N VAL A 62 -1.497 5.727 0.066 1.00 0.00 N ATOM 944 CA VAL A 62 -0.727 6.947 0.457 1.00 0.00 C ATOM 945 C VAL A 62 -1.630 8.169 0.374 1.00 0.00 C ATOM 946 O VAL A 62 -2.582 8.203 -0.382 1.00 0.00 O ATOM 947 CB VAL A 62 0.483 7.130 -0.478 1.00 0.00 C ATOM 948 CG1 VAL A 62 0.416 6.114 -1.618 1.00 0.00 C ATOM 949 CG2 VAL A 62 0.520 8.539 -1.064 1.00 0.00 C ATOM 0 H VAL A 62 -1.858 5.729 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.369 6.830 1.480 1.00 0.00 H new ATOM 0 HB VAL A 62 1.388 6.973 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.274 6.248 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.428 5.105 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.503 6.264 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.385 8.638 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.391 8.720 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.592 9.267 -0.256 1.00 0.00 H new ATOM 959 N ARG A 63 -1.327 9.183 1.128 1.00 0.00 N ATOM 960 CA ARG A 63 -2.152 10.420 1.074 1.00 0.00 C ATOM 961 C ARG A 63 -1.648 11.284 -0.081 1.00 0.00 C ATOM 962 O ARG A 63 -0.465 11.520 -0.218 1.00 0.00 O ATOM 963 CB ARG A 63 -2.013 11.193 2.388 1.00 0.00 C ATOM 964 CG ARG A 63 -2.359 12.666 2.153 1.00 0.00 C ATOM 965 CD ARG A 63 -2.579 13.362 3.497 1.00 0.00 C ATOM 966 NE ARG A 63 -1.412 13.103 4.384 1.00 0.00 N ATOM 967 CZ ARG A 63 -1.234 13.826 5.455 1.00 0.00 C ATOM 968 NH1 ARG A 63 -2.080 14.774 5.752 1.00 0.00 N ATOM 969 NH2 ARG A 63 -0.208 13.602 6.231 1.00 0.00 N ATOM 0 H ARG A 63 -0.544 9.211 1.781 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.201 10.163 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.675 10.769 3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.996 11.104 2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.554 13.156 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.256 12.746 1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.705 14.434 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.493 12.995 3.964 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.752 12.360 4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.882 14.950 5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.940 15.339 6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.454 12.862 6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.069 14.167 7.068 1.00 0.00 H new ATOM 983 N PHE A 64 -2.536 11.746 -0.919 1.00 0.00 N ATOM 984 CA PHE A 64 -2.112 12.585 -2.075 1.00 0.00 C ATOM 985 C PHE A 64 -2.741 13.974 -1.966 1.00 0.00 C ATOM 986 O PHE A 64 -3.756 14.160 -1.325 1.00 0.00 O ATOM 987 CB PHE A 64 -2.565 11.924 -3.374 1.00 0.00 C ATOM 988 CG PHE A 64 -1.673 10.746 -3.681 1.00 0.00 C ATOM 989 CD1 PHE A 64 -0.312 10.946 -3.942 1.00 0.00 C ATOM 990 CD2 PHE A 64 -2.207 9.452 -3.704 1.00 0.00 C ATOM 991 CE1 PHE A 64 0.514 9.853 -4.228 1.00 0.00 C ATOM 992 CE2 PHE A 64 -1.380 8.358 -3.989 1.00 0.00 C ATOM 993 CZ PHE A 64 -0.019 8.560 -4.251 1.00 0.00 C ATOM 0 H PHE A 64 -3.540 11.578 -0.852 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.026 12.681 -2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.600 11.595 -3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.528 12.644 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.100 11.944 -3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.257 9.297 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.563 10.008 -4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.791 7.360 -4.007 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.619 7.717 -4.471 1.00 0.00 H new ATOM 1003 N THR A 65 -2.149 14.950 -2.596 1.00 0.00 N ATOM 1004 CA THR A 65 -2.713 16.326 -2.540 1.00 0.00 C ATOM 1005 C THR A 65 -3.559 16.570 -3.791 1.00 0.00 C ATOM 1006 O THR A 65 -3.210 16.149 -4.876 1.00 0.00 O ATOM 1007 CB THR A 65 -1.571 17.344 -2.489 1.00 0.00 C ATOM 1008 OG1 THR A 65 -2.091 18.618 -2.132 1.00 0.00 O ATOM 1009 CG2 THR A 65 -0.899 17.432 -3.860 1.00 0.00 C ATOM 0 H THR A 65 -1.297 14.853 -3.148 1.00 0.00 H new ATOM 0 HA THR A 65 -3.332 16.434 -1.650 1.00 0.00 H new ATOM 0 HB THR A 65 -0.837 17.029 -1.748 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.361 19.271 -2.097 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.086 18.157 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.500 16.455 -4.133 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.631 17.746 -4.604 1.00 0.00 H new ATOM 1017 N THR A 66 -4.669 17.241 -3.647 1.00 0.00 N ATOM 1018 CA THR A 66 -5.542 17.508 -4.827 1.00 0.00 C ATOM 1019 C THR A 66 -5.485 18.995 -5.182 1.00 0.00 C ATOM 1020 O THR A 66 -5.978 19.836 -4.456 1.00 0.00 O ATOM 1021 CB THR A 66 -6.984 17.118 -4.490 1.00 0.00 C ATOM 1022 OG1 THR A 66 -7.825 18.254 -4.634 1.00 0.00 O ATOM 1023 CG2 THR A 66 -7.052 16.608 -3.049 1.00 0.00 C ATOM 0 H THR A 66 -5.010 17.617 -2.762 1.00 0.00 H new ATOM 0 HA THR A 66 -5.194 16.921 -5.677 1.00 0.00 H new ATOM 0 HB THR A 66 -7.317 16.331 -5.167 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.474 18.992 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.078 16.330 -2.809 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.406 15.737 -2.940 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.720 17.393 -2.369 1.00 0.00 H new ATOM 1031 N GLY A 67 -4.888 19.324 -6.295 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.797 20.756 -6.698 1.00 0.00 C ATOM 1033 C GLY A 67 -4.098 21.555 -5.598 1.00 0.00 C ATOM 1034 O GLY A 67 -2.928 21.869 -5.693 1.00 0.00 O ATOM 0 H GLY A 67 -4.459 18.663 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.245 20.847 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.794 21.158 -6.876 1.00 0.00 H new ATOM 1038 N ASP A 68 -4.805 21.886 -4.553 1.00 0.00 N ATOM 1039 CA ASP A 68 -4.181 22.665 -3.447 1.00 0.00 C ATOM 1040 C ASP A 68 -5.242 22.987 -2.393 1.00 0.00 C ATOM 1041 O ASP A 68 -4.975 22.986 -1.208 1.00 0.00 O ATOM 1042 CB ASP A 68 -3.601 23.967 -4.002 1.00 0.00 C ATOM 1043 CG ASP A 68 -2.098 23.800 -4.233 1.00 0.00 C ATOM 1044 OD1 ASP A 68 -1.394 23.561 -3.266 1.00 0.00 O ATOM 1045 OD2 ASP A 68 -1.677 23.914 -5.372 1.00 0.00 O ATOM 0 H ASP A 68 -5.788 21.651 -4.417 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.382 22.078 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.096 24.228 -4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.784 24.785 -3.305 1.00 0.00 H new ATOM 1050 N ALA A 69 -6.445 23.263 -2.816 1.00 0.00 N ATOM 1051 CA ALA A 69 -7.523 23.584 -1.840 1.00 0.00 C ATOM 1052 C ALA A 69 -7.153 24.854 -1.070 1.00 0.00 C ATOM 1053 O ALA A 69 -6.160 25.494 -1.351 1.00 0.00 O ATOM 1054 CB ALA A 69 -7.684 22.422 -0.858 1.00 0.00 C ATOM 0 H ALA A 69 -6.728 23.280 -3.796 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.460 23.742 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.473 22.656 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.947 21.517 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.747 22.264 -0.325 1.00 0.00 H new ATOM 1060 N MET A 70 -7.944 25.221 -0.100 1.00 0.00 N ATOM 1061 CA MET A 70 -7.638 26.448 0.688 1.00 0.00 C ATOM 1062 C MET A 70 -6.737 26.083 1.868 1.00 0.00 C ATOM 1063 O MET A 70 -5.963 26.890 2.344 1.00 0.00 O ATOM 1064 CB MET A 70 -8.940 27.058 1.210 1.00 0.00 C ATOM 1065 CG MET A 70 -8.772 28.570 1.358 1.00 0.00 C ATOM 1066 SD MET A 70 -7.227 28.923 2.233 1.00 0.00 S ATOM 1067 CE MET A 70 -7.628 28.045 3.763 1.00 0.00 C ATOM 0 H MET A 70 -8.789 24.724 0.181 1.00 0.00 H new ATOM 0 HA MET A 70 -7.129 27.171 0.051 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.758 26.838 0.524 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.202 26.615 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.763 29.043 0.376 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.616 28.989 1.906 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.735 27.549 4.142 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.991 28.755 4.506 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.400 27.301 3.564 1.00 0.00 H new ATOM 1077 N SER A 71 -6.833 24.871 2.346 1.00 0.00 N ATOM 1078 CA SER A 71 -5.984 24.452 3.496 1.00 0.00 C ATOM 1079 C SER A 71 -5.397 23.065 3.221 1.00 0.00 C ATOM 1080 O SER A 71 -4.197 22.884 3.189 1.00 0.00 O ATOM 1081 CB SER A 71 -6.834 24.402 4.766 1.00 0.00 C ATOM 1082 OG SER A 71 -7.486 25.653 4.943 1.00 0.00 O ATOM 0 H SER A 71 -7.464 24.153 1.989 1.00 0.00 H new ATOM 0 HA SER A 71 -5.174 25.169 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.571 23.602 4.693 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.206 24.180 5.629 1.00 0.00 H new ATOM 0 HG SER A 71 -8.447 25.547 4.783 1.00 0.00 H new ATOM 1088 N LYS A 72 -6.235 22.084 3.022 1.00 0.00 N ATOM 1089 CA LYS A 72 -5.723 20.712 2.750 1.00 0.00 C ATOM 1090 C LYS A 72 -6.564 20.061 1.650 1.00 0.00 C ATOM 1091 O LYS A 72 -6.301 20.227 0.475 1.00 0.00 O ATOM 1092 CB LYS A 72 -5.814 19.871 4.026 1.00 0.00 C ATOM 1093 CG LYS A 72 -4.675 20.255 4.972 1.00 0.00 C ATOM 1094 CD LYS A 72 -3.442 19.407 4.660 1.00 0.00 C ATOM 1095 CE LYS A 72 -2.242 19.939 5.445 1.00 0.00 C ATOM 1096 NZ LYS A 72 -2.364 19.532 6.874 1.00 0.00 N ATOM 0 H LYS A 72 -7.251 22.174 3.036 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.684 20.771 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.776 20.033 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.755 18.811 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.438 21.313 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.981 20.103 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.628 18.366 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.231 19.433 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.316 19.550 5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.196 21.025 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.548 19.893 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.241 19.924 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.388 18.494 6.939 1.00 0.00 H new ATOM 1110 N ARG A 73 -7.571 19.319 2.021 1.00 0.00 N ATOM 1111 CA ARG A 73 -8.427 18.656 0.996 1.00 0.00 C ATOM 1112 C ARG A 73 -7.669 17.475 0.387 1.00 0.00 C ATOM 1113 O ARG A 73 -8.063 16.925 -0.623 1.00 0.00 O ATOM 1114 CB ARG A 73 -8.778 19.661 -0.104 1.00 0.00 C ATOM 1115 CG ARG A 73 -10.251 19.498 -0.491 1.00 0.00 C ATOM 1116 CD ARG A 73 -10.603 20.493 -1.602 1.00 0.00 C ATOM 1117 NE ARG A 73 -11.295 19.792 -2.736 1.00 0.00 N ATOM 1118 CZ ARG A 73 -10.778 18.734 -3.304 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -9.593 18.311 -2.960 1.00 0.00 N ATOM 1120 NH2 ARG A 73 -11.441 18.113 -4.241 1.00 0.00 N ATOM 0 H ARG A 73 -7.838 19.143 2.989 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.344 18.297 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.592 20.677 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.142 19.501 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.438 18.479 -0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.887 19.668 0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.247 21.278 -1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.697 20.977 -1.965 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.190 20.150 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.063 18.806 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.197 17.485 -3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.359 18.453 -4.528 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.041 17.287 -4.687 1.00 0.00 H new ATOM 1134 N SER A 74 -6.583 17.080 0.994 1.00 0.00 N ATOM 1135 CA SER A 74 -5.797 15.934 0.453 1.00 0.00 C ATOM 1136 C SER A 74 -6.753 14.822 0.014 1.00 0.00 C ATOM 1137 O SER A 74 -7.829 14.672 0.556 1.00 0.00 O ATOM 1138 CB SER A 74 -4.865 15.401 1.543 1.00 0.00 C ATOM 1139 OG SER A 74 -5.610 14.588 2.440 1.00 0.00 O ATOM 0 H SER A 74 -6.205 17.502 1.842 1.00 0.00 H new ATOM 0 HA SER A 74 -5.209 16.266 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.056 14.823 1.096 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.405 16.229 2.081 1.00 0.00 H new ATOM 0 HG SER A 74 -5.097 13.780 2.652 1.00 0.00 H new ATOM 1145 N LYS A 75 -6.365 14.037 -0.960 1.00 0.00 N ATOM 1146 CA LYS A 75 -7.251 12.931 -1.423 1.00 0.00 C ATOM 1147 C LYS A 75 -6.673 11.592 -0.954 1.00 0.00 C ATOM 1148 O LYS A 75 -5.499 11.323 -1.108 1.00 0.00 O ATOM 1149 CB LYS A 75 -7.362 12.957 -2.952 1.00 0.00 C ATOM 1150 CG LYS A 75 -5.993 12.724 -3.592 1.00 0.00 C ATOM 1151 CD LYS A 75 -5.969 13.391 -4.973 1.00 0.00 C ATOM 1152 CE LYS A 75 -4.740 12.938 -5.768 1.00 0.00 C ATOM 1153 NZ LYS A 75 -3.685 13.987 -5.691 1.00 0.00 N ATOM 0 H LYS A 75 -5.475 14.116 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.248 13.059 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.061 12.190 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.763 13.917 -3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.207 13.137 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.798 11.656 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.877 13.138 -5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.956 14.475 -4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.362 11.997 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.013 12.757 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.749 13.547 -5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.833 14.685 -6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.735 14.462 -4.767 1.00 0.00 H new ATOM 1167 N PHE A 76 -7.487 10.763 -0.360 1.00 0.00 N ATOM 1168 CA PHE A 76 -6.988 9.452 0.149 1.00 0.00 C ATOM 1169 C PHE A 76 -7.422 8.319 -0.787 1.00 0.00 C ATOM 1170 O PHE A 76 -8.573 8.215 -1.154 1.00 0.00 O ATOM 1171 CB PHE A 76 -7.571 9.221 1.540 1.00 0.00 C ATOM 1172 CG PHE A 76 -7.077 10.297 2.477 1.00 0.00 C ATOM 1173 CD1 PHE A 76 -5.861 10.136 3.151 1.00 0.00 C ATOM 1174 CD2 PHE A 76 -7.837 11.456 2.670 1.00 0.00 C ATOM 1175 CE1 PHE A 76 -5.405 11.134 4.018 1.00 0.00 C ATOM 1176 CE2 PHE A 76 -7.381 12.456 3.538 1.00 0.00 C ATOM 1177 CZ PHE A 76 -6.165 12.295 4.212 1.00 0.00 C ATOM 0 H PHE A 76 -8.480 10.937 -0.204 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.899 9.465 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.660 9.234 1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.278 8.239 1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.275 9.241 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.775 11.579 2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.467 11.010 4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.967 13.351 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.813 13.066 4.882 1.00 0.00 H new ATOM 1187 N ALA A 77 -6.501 7.484 -1.201 1.00 0.00 N ATOM 1188 CA ALA A 77 -6.880 6.385 -2.137 1.00 0.00 C ATOM 1189 C ALA A 77 -6.077 5.113 -1.853 1.00 0.00 C ATOM 1190 O ALA A 77 -5.039 5.138 -1.224 1.00 0.00 O ATOM 1191 CB ALA A 77 -6.615 6.836 -3.574 1.00 0.00 C ATOM 0 H ALA A 77 -5.517 7.515 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.938 6.162 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.890 6.037 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.209 7.724 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.557 7.069 -3.693 1.00 0.00 H new ATOM 1197 N LEU A 78 -6.560 4.001 -2.343 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.852 2.704 -2.150 1.00 0.00 C ATOM 1199 C LEU A 78 -5.436 2.181 -3.524 1.00 0.00 C ATOM 1200 O LEU A 78 -6.014 2.551 -4.527 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.804 1.703 -1.494 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.039 0.431 -1.123 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.207 0.149 0.371 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -6.594 -0.748 -1.927 1.00 0.00 C ATOM 0 H LEU A 78 -7.427 3.938 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.977 2.838 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.252 2.143 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.620 1.462 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.981 0.565 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.662 -0.757 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.815 0.988 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.264 0.015 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.050 -1.656 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.651 -0.879 -1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.476 -0.550 -2.992 1.00 0.00 H new ATOM 1216 N ILE A 79 -4.448 1.330 -3.596 1.00 0.00 N ATOM 1217 CA ILE A 79 -4.021 0.805 -4.925 1.00 0.00 C ATOM 1218 C ILE A 79 -3.752 -0.696 -4.813 1.00 0.00 C ATOM 1219 O ILE A 79 -3.244 -1.171 -3.818 1.00 0.00 O ATOM 1220 CB ILE A 79 -2.745 1.524 -5.366 1.00 0.00 C ATOM 1221 CG1 ILE A 79 -3.104 2.920 -5.881 1.00 0.00 C ATOM 1222 CG2 ILE A 79 -2.064 0.728 -6.481 1.00 0.00 C ATOM 1223 CD1 ILE A 79 -1.994 3.907 -5.516 1.00 0.00 C ATOM 0 H ILE A 79 -3.921 0.977 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.807 0.978 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.065 1.609 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.240 2.895 -6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.050 3.246 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.155 1.243 -6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.810 -0.267 -6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.741 0.640 -7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.254 4.899 -5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.879 3.941 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.057 3.585 -5.970 1.00 0.00 H new ATOM 1235 N THR A 80 -4.079 -1.447 -5.828 1.00 0.00 N ATOM 1236 CA THR A 80 -3.833 -2.915 -5.779 1.00 0.00 C ATOM 1237 C THR A 80 -2.566 -3.235 -6.573 1.00 0.00 C ATOM 1238 O THR A 80 -2.514 -3.049 -7.772 1.00 0.00 O ATOM 1239 CB THR A 80 -5.021 -3.660 -6.394 1.00 0.00 C ATOM 1240 OG1 THR A 80 -6.121 -2.769 -6.520 1.00 0.00 O ATOM 1241 CG2 THR A 80 -5.416 -4.835 -5.499 1.00 0.00 C ATOM 0 H THR A 80 -4.506 -1.107 -6.690 1.00 0.00 H new ATOM 0 HA THR A 80 -3.711 -3.230 -4.743 1.00 0.00 H new ATOM 0 HB THR A 80 -4.740 -4.038 -7.377 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.822 -1.938 -6.945 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.262 -5.361 -5.942 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.573 -5.519 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.696 -4.464 -4.513 1.00 0.00 H new ATOM 1249 N TRP A 81 -1.542 -3.707 -5.919 1.00 0.00 N ATOM 1250 CA TRP A 81 -0.284 -4.025 -6.650 1.00 0.00 C ATOM 1251 C TRP A 81 -0.288 -5.491 -7.071 1.00 0.00 C ATOM 1252 O TRP A 81 -0.181 -6.375 -6.248 1.00 0.00 O ATOM 1253 CB TRP A 81 0.919 -3.792 -5.732 1.00 0.00 C ATOM 1254 CG TRP A 81 2.184 -4.047 -6.486 1.00 0.00 C ATOM 1255 CD1 TRP A 81 3.043 -5.062 -6.231 1.00 0.00 C ATOM 1256 CD2 TRP A 81 2.750 -3.306 -7.604 1.00 0.00 C ATOM 1257 NE1 TRP A 81 4.098 -4.991 -7.122 1.00 0.00 N ATOM 1258 CE2 TRP A 81 3.962 -3.927 -7.990 1.00 0.00 C ATOM 1259 CE3 TRP A 81 2.331 -2.167 -8.316 1.00 0.00 C ATOM 1260 CZ2 TRP A 81 4.732 -3.436 -9.044 1.00 0.00 C ATOM 1261 CZ3 TRP A 81 3.105 -1.670 -9.376 1.00 0.00 C ATOM 1262 CH2 TRP A 81 4.303 -2.302 -9.740 1.00 0.00 C ATOM 0 H TRP A 81 -1.521 -3.886 -4.915 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.218 -3.383 -7.528 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.909 -2.769 -5.355 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.861 -4.451 -4.866 1.00 0.00 H new ATOM 0 HD1 TRP A 81 2.924 -5.806 -5.457 1.00 0.00 H new ATOM 0 HE1 TRP A 81 4.881 -5.645 -7.136 1.00 0.00 H new ATOM 0 HE3 TRP A 81 1.410 -1.673 -8.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.653 -3.928 -9.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 2.776 -0.794 -9.915 1.00 0.00 H new ATOM 0 HH2 TRP A 81 4.893 -1.913 -10.557 1.00 0.00 H new ATOM 1273 N ILE A 82 -0.401 -5.757 -8.343 1.00 0.00 N ATOM 1274 CA ILE A 82 -0.388 -7.168 -8.817 1.00 0.00 C ATOM 1275 C ILE A 82 0.864 -7.371 -9.674 1.00 0.00 C ATOM 1276 O ILE A 82 0.864 -7.120 -10.862 1.00 0.00 O ATOM 1277 CB ILE A 82 -1.637 -7.450 -9.656 1.00 0.00 C ATOM 1278 CG1 ILE A 82 -2.851 -6.748 -9.032 1.00 0.00 C ATOM 1279 CG2 ILE A 82 -1.887 -8.958 -9.706 1.00 0.00 C ATOM 1280 CD1 ILE A 82 -3.114 -7.299 -7.626 1.00 0.00 C ATOM 0 H ILE A 82 -0.502 -5.055 -9.076 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.381 -7.849 -7.966 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.485 -7.072 -10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.674 -5.674 -8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.729 -6.898 -9.660 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.776 -9.160 -10.303 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.027 -9.455 -10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.036 -9.336 -8.694 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.977 -6.794 -7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.312 -8.369 -7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.240 -7.126 -6.998 1.00 0.00 H new ATOM 1292 N GLY A 83 1.935 -7.810 -9.072 1.00 0.00 N ATOM 1293 CA GLY A 83 3.196 -8.015 -9.840 1.00 0.00 C ATOM 1294 C GLY A 83 2.887 -8.684 -11.178 1.00 0.00 C ATOM 1295 O GLY A 83 1.843 -9.278 -11.362 1.00 0.00 O ATOM 0 H GLY A 83 1.991 -8.036 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.690 -7.058 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.886 -8.633 -9.265 1.00 0.00 H new ATOM 1299 N GLU A 84 3.791 -8.595 -12.115 1.00 0.00 N ATOM 1300 CA GLU A 84 3.553 -9.226 -13.444 1.00 0.00 C ATOM 1301 C GLU A 84 4.043 -10.677 -13.415 1.00 0.00 C ATOM 1302 O GLU A 84 3.643 -11.493 -14.222 1.00 0.00 O ATOM 1303 CB GLU A 84 4.317 -8.453 -14.520 1.00 0.00 C ATOM 1304 CG GLU A 84 3.652 -8.678 -15.880 1.00 0.00 C ATOM 1305 CD GLU A 84 4.524 -8.073 -16.981 1.00 0.00 C ATOM 1306 OE1 GLU A 84 5.007 -6.969 -16.788 1.00 0.00 O ATOM 1307 OE2 GLU A 84 4.696 -8.725 -17.998 1.00 0.00 O ATOM 0 H GLU A 84 4.684 -8.112 -12.018 1.00 0.00 H new ATOM 0 HA GLU A 84 2.487 -9.206 -13.670 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.328 -7.390 -14.280 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.355 -8.783 -14.552 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.513 -9.745 -16.057 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.662 -8.221 -15.893 1.00 0.00 H new ATOM 1314 N ASP A 85 4.905 -11.005 -12.492 1.00 0.00 N ATOM 1315 CA ASP A 85 5.419 -12.403 -12.413 1.00 0.00 C ATOM 1316 C ASP A 85 4.714 -13.143 -11.274 1.00 0.00 C ATOM 1317 O ASP A 85 5.326 -13.880 -10.527 1.00 0.00 O ATOM 1318 CB ASP A 85 6.926 -12.378 -12.149 1.00 0.00 C ATOM 1319 CG ASP A 85 7.672 -12.166 -13.467 1.00 0.00 C ATOM 1320 OD1 ASP A 85 7.516 -11.106 -14.050 1.00 0.00 O ATOM 1321 OD2 ASP A 85 8.387 -13.069 -13.872 1.00 0.00 O ATOM 0 H ASP A 85 5.276 -10.366 -11.789 1.00 0.00 H new ATOM 0 HA ASP A 85 5.223 -12.915 -13.355 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.170 -11.579 -11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.241 -13.314 -11.687 1.00 0.00 H new ATOM 1326 N VAL A 86 3.432 -12.949 -11.132 1.00 0.00 N ATOM 1327 CA VAL A 86 2.691 -13.640 -10.039 1.00 0.00 C ATOM 1328 C VAL A 86 2.026 -14.904 -10.585 1.00 0.00 C ATOM 1329 O VAL A 86 1.853 -15.064 -11.777 1.00 0.00 O ATOM 1330 CB VAL A 86 1.620 -12.701 -9.481 1.00 0.00 C ATOM 1331 CG1 VAL A 86 0.895 -13.384 -8.322 1.00 0.00 C ATOM 1332 CG2 VAL A 86 2.284 -11.418 -8.980 1.00 0.00 C ATOM 0 H VAL A 86 2.866 -12.342 -11.725 1.00 0.00 H new ATOM 0 HA VAL A 86 3.388 -13.914 -9.247 1.00 0.00 H new ATOM 0 HB VAL A 86 0.902 -12.460 -10.265 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.132 -12.714 -7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.424 -14.301 -8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.611 -13.625 -7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.524 -10.746 -8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.000 -11.661 -8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.802 -10.930 -9.806 1.00 0.00 H new ATOM 1342 N SER A 87 1.649 -15.805 -9.719 1.00 0.00 N ATOM 1343 CA SER A 87 0.994 -17.060 -10.184 1.00 0.00 C ATOM 1344 C SER A 87 -0.526 -16.896 -10.116 1.00 0.00 C ATOM 1345 O SER A 87 -1.039 -15.797 -10.039 1.00 0.00 O ATOM 1346 CB SER A 87 1.422 -18.222 -9.287 1.00 0.00 C ATOM 1347 OG SER A 87 1.101 -19.451 -9.926 1.00 0.00 O ATOM 0 H SER A 87 1.767 -15.726 -8.709 1.00 0.00 H new ATOM 0 HA SER A 87 1.292 -17.266 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.493 -18.170 -9.091 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.918 -18.157 -8.323 1.00 0.00 H new ATOM 0 HG SER A 87 1.376 -20.198 -9.355 1.00 0.00 H new ATOM 1353 N GLY A 88 -1.251 -17.981 -10.145 1.00 0.00 N ATOM 1354 CA GLY A 88 -2.738 -17.886 -10.085 1.00 0.00 C ATOM 1355 C GLY A 88 -3.191 -17.778 -8.627 1.00 0.00 C ATOM 1356 O GLY A 88 -4.299 -17.377 -8.339 1.00 0.00 O ATOM 0 H GLY A 88 -0.879 -18.929 -10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.079 -17.017 -10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.187 -18.763 -10.551 1.00 0.00 H new ATOM 1360 N LEU A 89 -2.348 -18.139 -7.701 1.00 0.00 N ATOM 1361 CA LEU A 89 -2.743 -18.061 -6.266 1.00 0.00 C ATOM 1362 C LEU A 89 -3.401 -16.707 -5.982 1.00 0.00 C ATOM 1363 O LEU A 89 -4.547 -16.636 -5.582 1.00 0.00 O ATOM 1364 CB LEU A 89 -1.500 -18.216 -5.388 1.00 0.00 C ATOM 1365 CG LEU A 89 -0.920 -19.620 -5.564 1.00 0.00 C ATOM 1366 CD1 LEU A 89 0.584 -19.590 -5.295 1.00 0.00 C ATOM 1367 CD2 LEU A 89 -1.594 -20.577 -4.577 1.00 0.00 C ATOM 0 H LEU A 89 -1.404 -18.484 -7.874 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.451 -18.859 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.755 -17.467 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.757 -18.046 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.099 -19.961 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.996 -20.591 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.066 -18.909 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.765 -19.249 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.181 -21.578 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.414 -20.235 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.667 -20.600 -4.768 1.00 0.00 H new ATOM 1379 N GLN A 90 -2.687 -15.634 -6.181 1.00 0.00 N ATOM 1380 CA GLN A 90 -3.271 -14.286 -5.915 1.00 0.00 C ATOM 1381 C GLN A 90 -4.550 -14.097 -6.738 1.00 0.00 C ATOM 1382 O GLN A 90 -5.453 -13.391 -6.334 1.00 0.00 O ATOM 1383 CB GLN A 90 -2.253 -13.211 -6.301 1.00 0.00 C ATOM 1384 CG GLN A 90 -1.224 -13.057 -5.178 1.00 0.00 C ATOM 1385 CD GLN A 90 -1.749 -12.068 -4.136 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.751 -10.874 -4.362 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -2.195 -12.516 -2.994 1.00 0.00 N ATOM 0 H GLN A 90 -1.724 -15.631 -6.516 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.514 -14.202 -4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.754 -13.484 -7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.759 -12.262 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.031 -14.023 -4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.276 -12.704 -5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.194 -13.518 -2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.545 -11.864 -2.292 1.00 0.00 H new ATOM 1396 N ARG A 91 -4.636 -14.701 -7.890 1.00 0.00 N ATOM 1397 CA ARG A 91 -5.860 -14.522 -8.725 1.00 0.00 C ATOM 1398 C ARG A 91 -7.109 -14.798 -7.885 1.00 0.00 C ATOM 1399 O ARG A 91 -7.940 -13.932 -7.690 1.00 0.00 O ATOM 1400 CB ARG A 91 -5.823 -15.487 -9.917 1.00 0.00 C ATOM 1401 CG ARG A 91 -6.913 -15.118 -10.930 1.00 0.00 C ATOM 1402 CD ARG A 91 -8.134 -16.018 -10.718 1.00 0.00 C ATOM 1403 NE ARG A 91 -7.931 -17.307 -11.439 1.00 0.00 N ATOM 1404 CZ ARG A 91 -8.691 -18.332 -11.168 1.00 0.00 C ATOM 1405 NH1 ARG A 91 -9.628 -18.229 -10.266 1.00 0.00 N ATOM 1406 NH2 ARG A 91 -8.514 -19.461 -11.799 1.00 0.00 N ATOM 0 H ARG A 91 -3.919 -15.307 -8.289 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.891 -13.496 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.844 -15.449 -10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.969 -16.510 -9.571 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.195 -14.072 -10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.535 -15.234 -11.946 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.282 -16.203 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.033 -15.522 -11.084 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.198 -17.387 -12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.766 -17.347 -9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.222 -19.030 -10.054 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.781 -19.542 -12.504 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.108 -20.262 -11.587 1.00 0.00 H new ATOM 1420 N ALA A 92 -7.256 -15.997 -7.394 1.00 0.00 N ATOM 1421 CA ALA A 92 -8.460 -16.324 -6.576 1.00 0.00 C ATOM 1422 C ALA A 92 -8.247 -15.876 -5.128 1.00 0.00 C ATOM 1423 O ALA A 92 -9.124 -15.307 -4.510 1.00 0.00 O ATOM 1424 CB ALA A 92 -8.702 -17.834 -6.610 1.00 0.00 C ATOM 0 H ALA A 92 -6.596 -16.764 -7.523 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.324 -15.803 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.581 -18.075 -6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.864 -18.153 -7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.833 -18.351 -6.202 1.00 0.00 H new ATOM 1430 N LYS A 93 -7.092 -16.135 -4.579 1.00 0.00 N ATOM 1431 CA LYS A 93 -6.832 -15.731 -3.169 1.00 0.00 C ATOM 1432 C LYS A 93 -7.007 -14.218 -3.017 1.00 0.00 C ATOM 1433 O LYS A 93 -7.816 -13.754 -2.239 1.00 0.00 O ATOM 1434 CB LYS A 93 -5.405 -16.120 -2.781 1.00 0.00 C ATOM 1435 CG LYS A 93 -5.276 -17.645 -2.775 1.00 0.00 C ATOM 1436 CD LYS A 93 -3.871 -18.039 -2.313 1.00 0.00 C ATOM 1437 CE LYS A 93 -3.943 -18.626 -0.902 1.00 0.00 C ATOM 1438 NZ LYS A 93 -2.594 -19.118 -0.501 1.00 0.00 N ATOM 0 H LYS A 93 -6.318 -16.608 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.541 -16.240 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.694 -15.687 -3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.162 -15.720 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.023 -18.081 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.466 -18.040 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.442 -18.768 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.216 -17.168 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.290 -17.869 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.664 -19.443 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.641 -19.517 0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.280 -19.853 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.918 -18.328 -0.514 1.00 0.00 H new ATOM 1452 N THR A 94 -6.255 -13.443 -3.750 1.00 0.00 N ATOM 1453 CA THR A 94 -6.387 -11.962 -3.637 1.00 0.00 C ATOM 1454 C THR A 94 -7.830 -11.555 -3.931 1.00 0.00 C ATOM 1455 O THR A 94 -8.387 -10.696 -3.279 1.00 0.00 O ATOM 1456 CB THR A 94 -5.450 -11.288 -4.641 1.00 0.00 C ATOM 1457 OG1 THR A 94 -4.238 -12.021 -4.720 1.00 0.00 O ATOM 1458 CG2 THR A 94 -5.155 -9.857 -4.185 1.00 0.00 C ATOM 0 H THR A 94 -5.558 -13.769 -4.419 1.00 0.00 H new ATOM 0 HA THR A 94 -6.121 -11.649 -2.627 1.00 0.00 H new ATOM 0 HB THR A 94 -5.924 -11.264 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.206 -12.679 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.487 -9.377 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.087 -9.295 -4.125 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.680 -9.878 -3.204 1.00 0.00 H new ATOM 1466 N GLY A 95 -8.435 -12.166 -4.911 1.00 0.00 N ATOM 1467 CA GLY A 95 -9.842 -11.819 -5.262 1.00 0.00 C ATOM 1468 C GLY A 95 -10.685 -11.681 -3.990 1.00 0.00 C ATOM 1469 O GLY A 95 -11.267 -10.648 -3.723 1.00 0.00 O ATOM 0 H GLY A 95 -8.014 -12.895 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.865 -10.886 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.265 -12.590 -5.906 1.00 0.00 H new ATOM 1473 N THR A 96 -10.773 -12.722 -3.213 1.00 0.00 N ATOM 1474 CA THR A 96 -11.598 -12.659 -1.975 1.00 0.00 C ATOM 1475 C THR A 96 -11.029 -11.629 -0.992 1.00 0.00 C ATOM 1476 O THR A 96 -11.765 -10.890 -0.368 1.00 0.00 O ATOM 1477 CB THR A 96 -11.613 -14.036 -1.307 1.00 0.00 C ATOM 1478 OG1 THR A 96 -10.339 -14.295 -0.731 1.00 0.00 O ATOM 1479 CG2 THR A 96 -11.929 -15.108 -2.351 1.00 0.00 C ATOM 0 H THR A 96 -10.309 -13.615 -3.381 1.00 0.00 H new ATOM 0 HA THR A 96 -12.610 -12.360 -2.247 1.00 0.00 H new ATOM 0 HB THR A 96 -12.375 -14.054 -0.528 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.638 -14.104 -1.388 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.939 -16.088 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.905 -14.909 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.168 -15.092 -3.131 1.00 0.00 H new ATOM 1487 N ASP A 97 -9.737 -11.592 -0.815 1.00 0.00 N ATOM 1488 CA ASP A 97 -9.143 -10.637 0.163 1.00 0.00 C ATOM 1489 C ASP A 97 -9.371 -9.190 -0.270 1.00 0.00 C ATOM 1490 O ASP A 97 -9.725 -8.351 0.535 1.00 0.00 O ATOM 1491 CB ASP A 97 -7.640 -10.895 0.273 1.00 0.00 C ATOM 1492 CG ASP A 97 -6.940 -9.632 0.778 1.00 0.00 C ATOM 1493 OD1 ASP A 97 -7.488 -8.987 1.657 1.00 0.00 O ATOM 1494 OD2 ASP A 97 -5.869 -9.331 0.277 1.00 0.00 O ATOM 0 H ASP A 97 -9.066 -12.183 -1.306 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.627 -10.790 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.452 -11.725 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.238 -11.183 -0.698 1.00 0.00 H new ATOM 1499 N LYS A 98 -9.176 -8.873 -1.518 1.00 0.00 N ATOM 1500 CA LYS A 98 -9.395 -7.465 -1.940 1.00 0.00 C ATOM 1501 C LYS A 98 -10.817 -7.049 -1.559 1.00 0.00 C ATOM 1502 O LYS A 98 -11.098 -5.887 -1.341 1.00 0.00 O ATOM 1503 CB LYS A 98 -9.180 -7.319 -3.450 1.00 0.00 C ATOM 1504 CG LYS A 98 -10.131 -8.232 -4.226 1.00 0.00 C ATOM 1505 CD LYS A 98 -10.467 -7.590 -5.572 1.00 0.00 C ATOM 1506 CE LYS A 98 -11.535 -6.512 -5.372 1.00 0.00 C ATOM 1507 NZ LYS A 98 -12.858 -7.037 -5.808 1.00 0.00 N ATOM 0 H LYS A 98 -8.880 -9.516 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.678 -6.817 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.342 -6.283 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.148 -7.565 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.670 -9.208 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.043 -8.398 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.571 -7.152 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.826 -8.348 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.577 -6.216 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.279 -5.621 -5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.584 -6.305 -5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.814 -7.298 -6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.102 -7.875 -5.243 1.00 0.00 H new ATOM 1521 N THR A 99 -11.714 -7.995 -1.471 1.00 0.00 N ATOM 1522 CA THR A 99 -13.115 -7.658 -1.095 1.00 0.00 C ATOM 1523 C THR A 99 -13.151 -7.206 0.367 1.00 0.00 C ATOM 1524 O THR A 99 -13.693 -6.169 0.691 1.00 0.00 O ATOM 1525 CB THR A 99 -14.002 -8.893 -1.272 1.00 0.00 C ATOM 1526 OG1 THR A 99 -13.337 -9.838 -2.098 1.00 0.00 O ATOM 1527 CG2 THR A 99 -15.326 -8.486 -1.920 1.00 0.00 C ATOM 0 H THR A 99 -11.536 -8.984 -1.643 1.00 0.00 H new ATOM 0 HA THR A 99 -13.483 -6.855 -1.734 1.00 0.00 H new ATOM 0 HB THR A 99 -14.201 -9.339 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.001 -10.575 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.956 -9.367 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.836 -7.763 -1.283 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.132 -8.038 -2.894 1.00 0.00 H new ATOM 1535 N LEU A 100 -12.576 -7.975 1.255 1.00 0.00 N ATOM 1536 CA LEU A 100 -12.579 -7.578 2.692 1.00 0.00 C ATOM 1537 C LEU A 100 -11.929 -6.201 2.832 1.00 0.00 C ATOM 1538 O LEU A 100 -12.537 -5.262 3.304 1.00 0.00 O ATOM 1539 CB LEU A 100 -11.789 -8.601 3.519 1.00 0.00 C ATOM 1540 CG LEU A 100 -12.628 -9.868 3.705 1.00 0.00 C ATOM 1541 CD1 LEU A 100 -12.715 -10.625 2.380 1.00 0.00 C ATOM 1542 CD2 LEU A 100 -11.970 -10.761 4.759 1.00 0.00 C ATOM 0 H LEU A 100 -12.107 -8.857 1.047 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.606 -7.543 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.852 -8.843 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.531 -8.178 4.490 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.631 -9.594 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.313 -11.527 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.182 -9.989 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.713 -10.900 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.565 -11.664 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.967 -11.033 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.908 -10.223 5.705 1.00 0.00 H new ATOM 1554 N VAL A 101 -10.695 -6.076 2.427 1.00 0.00 N ATOM 1555 CA VAL A 101 -10.004 -4.761 2.538 1.00 0.00 C ATOM 1556 C VAL A 101 -10.945 -3.651 2.067 1.00 0.00 C ATOM 1557 O VAL A 101 -11.406 -2.839 2.843 1.00 0.00 O ATOM 1558 CB VAL A 101 -8.752 -4.757 1.653 1.00 0.00 C ATOM 1559 CG1 VAL A 101 -7.946 -3.485 1.919 1.00 0.00 C ATOM 1560 CG2 VAL A 101 -7.881 -5.980 1.963 1.00 0.00 C ATOM 0 H VAL A 101 -10.136 -6.828 2.024 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.720 -4.594 3.577 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.058 -4.792 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.055 -3.481 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.557 -2.612 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.650 -3.454 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.995 -5.966 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.578 -5.955 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.450 -6.890 1.772 1.00 0.00 H new ATOM 1570 N LYS A 102 -11.227 -3.613 0.796 1.00 0.00 N ATOM 1571 CA LYS A 102 -12.130 -2.560 0.255 1.00 0.00 C ATOM 1572 C LYS A 102 -13.400 -2.468 1.108 1.00 0.00 C ATOM 1573 O LYS A 102 -13.833 -1.395 1.478 1.00 0.00 O ATOM 1574 CB LYS A 102 -12.502 -2.921 -1.187 1.00 0.00 C ATOM 1575 CG LYS A 102 -13.941 -2.490 -1.481 1.00 0.00 C ATOM 1576 CD LYS A 102 -14.186 -2.530 -2.991 1.00 0.00 C ATOM 1577 CE LYS A 102 -14.043 -3.968 -3.495 1.00 0.00 C ATOM 1578 NZ LYS A 102 -14.770 -4.891 -2.578 1.00 0.00 N ATOM 0 H LYS A 102 -10.868 -4.271 0.104 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.622 -1.596 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.818 -2.432 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.397 -3.995 -1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.642 -3.151 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.116 -1.484 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -15.183 -2.151 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.474 -1.882 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.444 -4.052 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.990 -4.244 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.922 -5.804 -3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.207 -5.039 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.689 -4.475 -2.324 1.00 0.00 H new ATOM 1592 N GLU A 103 -14.012 -3.580 1.401 1.00 0.00 N ATOM 1593 CA GLU A 103 -15.269 -3.554 2.205 1.00 0.00 C ATOM 1594 C GLU A 103 -15.024 -2.942 3.588 1.00 0.00 C ATOM 1595 O GLU A 103 -15.906 -2.336 4.162 1.00 0.00 O ATOM 1596 CB GLU A 103 -15.789 -4.984 2.371 1.00 0.00 C ATOM 1597 CG GLU A 103 -16.383 -5.469 1.047 1.00 0.00 C ATOM 1598 CD GLU A 103 -17.820 -4.962 0.917 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -18.677 -5.484 1.610 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -18.039 -4.060 0.126 1.00 0.00 O ATOM 0 H GLU A 103 -13.697 -4.508 1.119 1.00 0.00 H new ATOM 0 HA GLU A 103 -16.003 -2.942 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.978 -5.643 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.545 -5.018 3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -15.782 -5.108 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -16.365 -6.558 1.005 1.00 0.00 H new ATOM 1607 N VAL A 104 -13.851 -3.109 4.139 1.00 0.00 N ATOM 1608 CA VAL A 104 -13.584 -2.546 5.499 1.00 0.00 C ATOM 1609 C VAL A 104 -12.677 -1.313 5.408 1.00 0.00 C ATOM 1610 O VAL A 104 -12.149 -0.858 6.402 1.00 0.00 O ATOM 1611 CB VAL A 104 -12.906 -3.614 6.361 1.00 0.00 C ATOM 1612 CG1 VAL A 104 -11.409 -3.662 6.047 1.00 0.00 C ATOM 1613 CG2 VAL A 104 -13.109 -3.276 7.841 1.00 0.00 C ATOM 0 H VAL A 104 -13.070 -3.607 3.712 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.531 -2.247 5.948 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.348 -4.587 6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.932 -4.424 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.266 -3.905 4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.961 -2.691 6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.627 -4.035 8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -12.669 -2.302 8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.175 -3.250 8.065 1.00 0.00 H new ATOM 1623 N VAL A 105 -12.494 -0.765 4.235 1.00 0.00 N ATOM 1624 CA VAL A 105 -11.621 0.439 4.109 1.00 0.00 C ATOM 1625 C VAL A 105 -12.478 1.674 3.826 1.00 0.00 C ATOM 1626 O VAL A 105 -13.237 1.714 2.878 1.00 0.00 O ATOM 1627 CB VAL A 105 -10.612 0.229 2.971 1.00 0.00 C ATOM 1628 CG1 VAL A 105 -11.220 0.657 1.633 1.00 0.00 C ATOM 1629 CG2 VAL A 105 -9.362 1.065 3.247 1.00 0.00 C ATOM 0 H VAL A 105 -12.908 -1.097 3.364 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.080 0.590 5.043 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.352 -0.828 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.492 0.502 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.111 0.062 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.490 1.712 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.642 0.920 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.634 2.119 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.917 0.753 4.192 1.00 0.00 H new ATOM 1639 N GLN A 106 -12.355 2.687 4.641 1.00 0.00 N ATOM 1640 CA GLN A 106 -13.149 3.931 4.427 1.00 0.00 C ATOM 1641 C GLN A 106 -12.189 5.121 4.390 1.00 0.00 C ATOM 1642 O GLN A 106 -12.437 6.115 3.735 1.00 0.00 O ATOM 1643 CB GLN A 106 -14.142 4.111 5.577 1.00 0.00 C ATOM 1644 CG GLN A 106 -14.920 2.811 5.791 1.00 0.00 C ATOM 1645 CD GLN A 106 -14.517 2.189 7.129 1.00 0.00 C ATOM 1646 OE1 GLN A 106 -13.264 1.897 7.348 1.00 0.00 O flip ATOM 1647 NE2 GLN A 106 -15.351 1.965 7.984 1.00 0.00 N flip ATOM 0 H GLN A 106 -11.735 2.706 5.451 1.00 0.00 H new ATOM 0 HA GLN A 106 -13.700 3.865 3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -13.612 4.384 6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.830 4.926 5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -15.992 3.010 5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -14.716 2.114 4.978 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -16.330 2.193 7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.072 1.549 8.872 1.00 0.00 H new ATOM 1656 N ASN A 107 -11.097 5.025 5.098 1.00 0.00 N ATOM 1657 CA ASN A 107 -10.114 6.149 5.118 1.00 0.00 C ATOM 1658 C ASN A 107 -9.555 6.381 3.706 1.00 0.00 C ATOM 1659 O ASN A 107 -8.438 6.829 3.538 1.00 0.00 O ATOM 1660 CB ASN A 107 -8.965 5.818 6.075 1.00 0.00 C ATOM 1661 CG ASN A 107 -8.716 7.009 7.006 1.00 0.00 C ATOM 1662 OD1 ASN A 107 -8.987 8.139 6.650 1.00 0.00 O ATOM 1663 ND2 ASN A 107 -8.205 6.804 8.191 1.00 0.00 N ATOM 0 H ASN A 107 -10.841 4.216 5.665 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.618 7.053 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.209 4.931 6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.061 5.589 5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.034 7.592 8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.977 5.856 8.491 1.00 0.00 H new ATOM 1670 N PHE A 108 -10.325 6.087 2.692 1.00 0.00 N ATOM 1671 CA PHE A 108 -9.847 6.299 1.297 1.00 0.00 C ATOM 1672 C PHE A 108 -11.006 6.805 0.439 1.00 0.00 C ATOM 1673 O PHE A 108 -12.161 6.664 0.791 1.00 0.00 O ATOM 1674 CB PHE A 108 -9.318 4.984 0.719 1.00 0.00 C ATOM 1675 CG PHE A 108 -10.454 4.201 0.100 1.00 0.00 C ATOM 1676 CD1 PHE A 108 -11.687 4.102 0.760 1.00 0.00 C ATOM 1677 CD2 PHE A 108 -10.274 3.575 -1.139 1.00 0.00 C ATOM 1678 CE1 PHE A 108 -12.735 3.378 0.181 1.00 0.00 C ATOM 1679 CE2 PHE A 108 -11.324 2.850 -1.717 1.00 0.00 C ATOM 1680 CZ PHE A 108 -12.553 2.752 -1.058 1.00 0.00 C ATOM 0 H PHE A 108 -11.268 5.708 2.772 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.042 7.034 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.554 5.188 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.845 4.395 1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -11.828 4.585 1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.325 3.651 -1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -13.685 3.302 0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -11.184 2.366 -2.672 1.00 0.00 H new ATOM 0 HZ PHE A 108 -13.362 2.193 -1.505 1.00 0.00 H new ATOM 1690 N ALA A 109 -10.706 7.399 -0.680 1.00 0.00 N ATOM 1691 CA ALA A 109 -11.785 7.922 -1.559 1.00 0.00 C ATOM 1692 C ALA A 109 -12.114 6.889 -2.638 1.00 0.00 C ATOM 1693 O ALA A 109 -13.257 6.703 -3.007 1.00 0.00 O ATOM 1694 CB ALA A 109 -11.313 9.219 -2.219 1.00 0.00 C ATOM 0 H ALA A 109 -9.757 7.545 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.677 8.117 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.101 9.606 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.080 9.955 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.421 9.021 -2.814 1.00 0.00 H new ATOM 1700 N LYS A 110 -11.120 6.212 -3.148 1.00 0.00 N ATOM 1701 CA LYS A 110 -11.376 5.192 -4.202 1.00 0.00 C ATOM 1702 C LYS A 110 -10.213 4.198 -4.242 1.00 0.00 C ATOM 1703 O LYS A 110 -9.126 4.482 -3.779 1.00 0.00 O ATOM 1704 CB LYS A 110 -11.504 5.883 -5.561 1.00 0.00 C ATOM 1705 CG LYS A 110 -12.356 5.022 -6.496 1.00 0.00 C ATOM 1706 CD LYS A 110 -11.912 5.241 -7.944 1.00 0.00 C ATOM 1707 CE LYS A 110 -12.043 6.723 -8.305 1.00 0.00 C ATOM 1708 NZ LYS A 110 -13.225 7.303 -7.607 1.00 0.00 N ATOM 0 H LYS A 110 -10.142 6.322 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.301 4.661 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -11.960 6.866 -5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -10.516 6.041 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -12.256 3.970 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -13.409 5.280 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.879 4.916 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -12.521 4.638 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.139 7.259 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -12.152 6.837 -9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -13.540 8.158 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -13.997 6.606 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -12.965 7.551 -6.631 1.00 0.00 H new ATOM 1722 N GLU A 111 -10.431 3.036 -4.796 1.00 0.00 N ATOM 1723 CA GLU A 111 -9.337 2.025 -4.867 1.00 0.00 C ATOM 1724 C GLU A 111 -8.800 1.966 -6.297 1.00 0.00 C ATOM 1725 O GLU A 111 -9.452 2.391 -7.231 1.00 0.00 O ATOM 1726 CB GLU A 111 -9.882 0.650 -4.472 1.00 0.00 C ATOM 1727 CG GLU A 111 -11.269 0.453 -5.087 1.00 0.00 C ATOM 1728 CD GLU A 111 -11.364 -0.946 -5.698 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -10.421 -1.347 -6.361 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -12.379 -1.593 -5.494 1.00 0.00 O ATOM 0 H GLU A 111 -11.319 2.743 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.536 2.306 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.206 -0.133 -4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.939 0.568 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.038 0.581 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.450 1.208 -5.852 1.00 0.00 H new ATOM 1737 N PHE A 112 -7.616 1.449 -6.477 1.00 0.00 N ATOM 1738 CA PHE A 112 -7.043 1.373 -7.851 1.00 0.00 C ATOM 1739 C PHE A 112 -6.346 0.026 -8.050 1.00 0.00 C ATOM 1740 O PHE A 112 -5.828 -0.557 -7.121 1.00 0.00 O ATOM 1741 CB PHE A 112 -6.034 2.507 -8.040 1.00 0.00 C ATOM 1742 CG PHE A 112 -6.754 3.734 -8.542 1.00 0.00 C ATOM 1743 CD1 PHE A 112 -7.274 3.757 -9.841 1.00 0.00 C ATOM 1744 CD2 PHE A 112 -6.907 4.846 -7.706 1.00 0.00 C ATOM 1745 CE1 PHE A 112 -7.947 4.893 -10.305 1.00 0.00 C ATOM 1746 CE2 PHE A 112 -7.581 5.982 -8.170 1.00 0.00 C ATOM 1747 CZ PHE A 112 -8.101 6.006 -9.470 1.00 0.00 C ATOM 0 H PHE A 112 -7.022 1.077 -5.736 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.844 1.470 -8.584 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.533 2.725 -7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.262 2.208 -8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.156 2.898 -10.485 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -6.505 4.828 -6.704 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -8.348 4.911 -11.308 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -7.700 6.840 -7.525 1.00 0.00 H new ATOM 0 HZ PHE A 112 -8.620 6.883 -9.828 1.00 0.00 H new ATOM 1757 N VAL A 113 -6.330 -0.467 -9.261 1.00 0.00 N ATOM 1758 CA VAL A 113 -5.667 -1.775 -9.535 1.00 0.00 C ATOM 1759 C VAL A 113 -4.462 -1.542 -10.449 1.00 0.00 C ATOM 1760 O VAL A 113 -4.597 -1.062 -11.557 1.00 0.00 O ATOM 1761 CB VAL A 113 -6.657 -2.715 -10.225 1.00 0.00 C ATOM 1762 CG1 VAL A 113 -5.982 -4.063 -10.488 1.00 0.00 C ATOM 1763 CG2 VAL A 113 -7.873 -2.923 -9.322 1.00 0.00 C ATOM 0 H VAL A 113 -6.750 -0.017 -10.075 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.337 -2.224 -8.598 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.976 -2.277 -11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.687 -4.733 -10.980 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.113 -3.916 -11.130 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.664 -4.501 -9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.580 -3.593 -9.812 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.553 -3.361 -8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.354 -1.963 -9.133 1.00 0.00 H new ATOM 1773 N ILE A 114 -3.283 -1.865 -9.991 1.00 0.00 N ATOM 1774 CA ILE A 114 -2.074 -1.647 -10.834 1.00 0.00 C ATOM 1775 C ILE A 114 -1.122 -2.838 -10.714 1.00 0.00 C ATOM 1776 O ILE A 114 -1.153 -3.583 -9.755 1.00 0.00 O ATOM 1777 CB ILE A 114 -1.364 -0.379 -10.362 1.00 0.00 C ATOM 1778 CG1 ILE A 114 -2.410 0.708 -10.102 1.00 0.00 C ATOM 1779 CG2 ILE A 114 -0.387 0.099 -11.437 1.00 0.00 C ATOM 1780 CD1 ILE A 114 -1.715 2.027 -9.767 1.00 0.00 C ATOM 0 H ILE A 114 -3.105 -2.269 -9.072 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.375 -1.543 -11.876 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.811 -0.589 -9.447 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.043 0.833 -10.980 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.060 0.410 -9.280 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.116 1.003 -11.095 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.353 -0.678 -11.628 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.933 0.313 -12.356 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.465 2.797 -9.583 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.101 1.898 -8.876 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.083 2.328 -10.603 1.00 0.00 H new ATOM 1792 N SER A 115 -0.262 -3.003 -11.680 1.00 0.00 N ATOM 1793 CA SER A 115 0.719 -4.121 -11.638 1.00 0.00 C ATOM 1794 C SER A 115 2.095 -3.566 -12.012 1.00 0.00 C ATOM 1795 O SER A 115 3.087 -3.845 -11.370 1.00 0.00 O ATOM 1796 CB SER A 115 0.311 -5.199 -12.643 1.00 0.00 C ATOM 1797 OG SER A 115 1.405 -6.082 -12.854 1.00 0.00 O ATOM 0 H SER A 115 -0.197 -2.405 -12.504 1.00 0.00 H new ATOM 0 HA SER A 115 0.748 -4.560 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.551 -5.752 -12.271 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.012 -4.740 -13.585 1.00 0.00 H new ATOM 0 HG SER A 115 1.685 -6.467 -11.997 1.00 0.00 H new ATOM 1803 N ASP A 116 2.153 -2.782 -13.054 1.00 0.00 N ATOM 1804 CA ASP A 116 3.457 -2.201 -13.488 1.00 0.00 C ATOM 1805 C ASP A 116 3.762 -0.948 -12.662 1.00 0.00 C ATOM 1806 O ASP A 116 2.874 -0.309 -12.137 1.00 0.00 O ATOM 1807 CB ASP A 116 3.379 -1.827 -14.970 1.00 0.00 C ATOM 1808 CG ASP A 116 4.370 -2.679 -15.765 1.00 0.00 C ATOM 1809 OD1 ASP A 116 5.489 -2.835 -15.303 1.00 0.00 O ATOM 1810 OD2 ASP A 116 3.994 -3.160 -16.821 1.00 0.00 O ATOM 0 H ASP A 116 1.351 -2.518 -13.626 1.00 0.00 H new ATOM 0 HA ASP A 116 4.248 -2.935 -13.337 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.367 -1.985 -15.343 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.606 -0.769 -15.101 1.00 0.00 H new ATOM 1815 N ARG A 117 5.011 -0.593 -12.539 1.00 0.00 N ATOM 1816 CA ARG A 117 5.368 0.615 -11.741 1.00 0.00 C ATOM 1817 C ARG A 117 5.128 1.878 -12.574 1.00 0.00 C ATOM 1818 O ARG A 117 5.043 2.970 -12.048 1.00 0.00 O ATOM 1819 CB ARG A 117 6.843 0.543 -11.342 1.00 0.00 C ATOM 1820 CG ARG A 117 7.678 0.103 -12.546 1.00 0.00 C ATOM 1821 CD ARG A 117 9.147 0.455 -12.306 1.00 0.00 C ATOM 1822 NE ARG A 117 9.363 1.903 -12.583 1.00 0.00 N ATOM 1823 CZ ARG A 117 10.451 2.492 -12.168 1.00 0.00 C ATOM 1824 NH1 ARG A 117 11.350 1.812 -11.509 1.00 0.00 N ATOM 1825 NH2 ARG A 117 10.640 3.760 -12.410 1.00 0.00 N ATOM 0 H ARG A 117 5.800 -1.087 -12.956 1.00 0.00 H new ATOM 0 HA ARG A 117 4.747 0.651 -10.846 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.182 1.516 -10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.974 -0.160 -10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.571 -0.970 -12.703 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.319 0.594 -13.450 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.423 0.226 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.787 -0.149 -12.950 1.00 0.00 H new ATOM 0 HE ARG A 117 8.660 2.434 -13.097 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.202 0.821 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.201 2.272 -11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.937 4.291 -12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 117 11.491 4.220 -12.085 1.00 0.00 H new ATOM 1839 N LYS A 118 5.022 1.743 -13.867 1.00 0.00 N ATOM 1840 CA LYS A 118 4.793 2.940 -14.726 1.00 0.00 C ATOM 1841 C LYS A 118 3.352 3.427 -14.564 1.00 0.00 C ATOM 1842 O LYS A 118 3.075 4.608 -14.634 1.00 0.00 O ATOM 1843 CB LYS A 118 5.044 2.570 -16.190 1.00 0.00 C ATOM 1844 CG LYS A 118 4.741 3.776 -17.081 1.00 0.00 C ATOM 1845 CD LYS A 118 5.185 3.475 -18.514 1.00 0.00 C ATOM 1846 CE LYS A 118 4.817 4.652 -19.420 1.00 0.00 C ATOM 1847 NZ LYS A 118 4.648 4.169 -20.820 1.00 0.00 N ATOM 0 H LYS A 118 5.084 0.856 -14.366 1.00 0.00 H new ATOM 0 HA LYS A 118 5.476 3.734 -14.426 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.079 2.256 -16.324 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.416 1.726 -16.476 1.00 0.00 H new ATOM 0 HG2 LYS A 118 3.674 3.999 -17.059 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.259 4.658 -16.706 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.261 3.302 -18.544 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.705 2.564 -18.871 1.00 0.00 H new ATOM 0 HE2 LYS A 118 3.896 5.119 -19.071 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.596 5.414 -19.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 4.398 4.969 -21.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.538 3.743 -21.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.890 3.457 -20.853 1.00 0.00 H new ATOM 1861 N GLU A 119 2.429 2.531 -14.352 1.00 0.00 N ATOM 1862 CA GLU A 119 1.007 2.952 -14.192 1.00 0.00 C ATOM 1863 C GLU A 119 0.734 3.318 -12.729 1.00 0.00 C ATOM 1864 O GLU A 119 -0.384 3.608 -12.354 1.00 0.00 O ATOM 1865 CB GLU A 119 0.072 1.817 -14.624 1.00 0.00 C ATOM 1866 CG GLU A 119 0.779 0.471 -14.463 1.00 0.00 C ATOM 1867 CD GLU A 119 -0.204 -0.661 -14.762 1.00 0.00 C ATOM 1868 OE1 GLU A 119 -0.295 -1.052 -15.914 1.00 0.00 O ATOM 1869 OE2 GLU A 119 -0.851 -1.119 -13.835 1.00 0.00 O ATOM 0 H GLU A 119 2.596 1.527 -14.283 1.00 0.00 H new ATOM 0 HA GLU A 119 0.823 3.823 -14.821 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.837 1.834 -14.023 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.229 1.958 -15.662 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.632 0.414 -15.139 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.167 0.371 -13.449 1.00 0.00 H new ATOM 1876 N LEU A 120 1.745 3.313 -11.901 1.00 0.00 N ATOM 1877 CA LEU A 120 1.540 3.667 -10.467 1.00 0.00 C ATOM 1878 C LEU A 120 2.067 5.081 -10.218 1.00 0.00 C ATOM 1879 O LEU A 120 2.013 5.591 -9.117 1.00 0.00 O ATOM 1880 CB LEU A 120 2.294 2.670 -9.581 1.00 0.00 C ATOM 1881 CG LEU A 120 1.954 2.923 -8.109 1.00 0.00 C ATOM 1882 CD1 LEU A 120 1.651 1.591 -7.418 1.00 0.00 C ATOM 1883 CD2 LEU A 120 3.140 3.593 -7.409 1.00 0.00 C ATOM 0 H LEU A 120 2.704 3.079 -12.157 1.00 0.00 H new ATOM 0 HA LEU A 120 0.478 3.627 -10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.025 1.650 -9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.368 2.770 -9.738 1.00 0.00 H new ATOM 0 HG LEU A 120 1.083 3.575 -8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.409 1.771 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.804 1.111 -7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.524 0.941 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.892 3.770 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.013 2.943 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.360 4.543 -7.896 1.00 0.00 H new ATOM 1895 N GLU A 121 2.571 5.716 -11.236 1.00 0.00 N ATOM 1896 CA GLU A 121 3.102 7.095 -11.075 1.00 0.00 C ATOM 1897 C GLU A 121 2.075 7.964 -10.346 1.00 0.00 C ATOM 1898 O GLU A 121 0.889 7.882 -10.594 1.00 0.00 O ATOM 1899 CB GLU A 121 3.378 7.686 -12.453 1.00 0.00 C ATOM 1900 CG GLU A 121 4.335 6.772 -13.223 1.00 0.00 C ATOM 1901 CD GLU A 121 5.741 7.375 -13.206 1.00 0.00 C ATOM 1902 OE1 GLU A 121 5.888 8.500 -13.656 1.00 0.00 O ATOM 1903 OE2 GLU A 121 6.647 6.701 -12.744 1.00 0.00 O ATOM 0 H GLU A 121 2.638 5.336 -12.180 1.00 0.00 H new ATOM 0 HA GLU A 121 4.023 7.065 -10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.445 7.799 -13.005 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.812 8.681 -12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.348 5.779 -12.773 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.992 6.651 -14.251 1.00 0.00 H new ATOM 1910 N GLU A 122 2.522 8.797 -9.448 1.00 0.00 N ATOM 1911 CA GLU A 122 1.573 9.669 -8.701 1.00 0.00 C ATOM 1912 C GLU A 122 0.673 10.422 -9.685 1.00 0.00 C ATOM 1913 O GLU A 122 -0.538 10.386 -9.585 1.00 0.00 O ATOM 1914 CB GLU A 122 2.350 10.681 -7.853 1.00 0.00 C ATOM 1915 CG GLU A 122 3.846 10.361 -7.898 1.00 0.00 C ATOM 1916 CD GLU A 122 4.387 10.638 -9.302 1.00 0.00 C ATOM 1917 OE1 GLU A 122 4.461 11.798 -9.669 1.00 0.00 O ATOM 1918 OE2 GLU A 122 4.718 9.684 -9.987 1.00 0.00 O ATOM 0 H GLU A 122 3.504 8.912 -9.199 1.00 0.00 H new ATOM 0 HA GLU A 122 0.960 9.045 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 122 2.174 11.691 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.995 10.654 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.380 10.966 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 122 4.013 9.317 -7.632 1.00 0.00 H new ATOM 1925 N ASP A 123 1.252 11.116 -10.629 1.00 0.00 N ATOM 1926 CA ASP A 123 0.426 11.883 -11.606 1.00 0.00 C ATOM 1927 C ASP A 123 -0.579 10.950 -12.280 1.00 0.00 C ATOM 1928 O ASP A 123 -1.756 11.241 -12.363 1.00 0.00 O ATOM 1929 CB ASP A 123 1.338 12.502 -12.668 1.00 0.00 C ATOM 1930 CG ASP A 123 2.797 12.359 -12.233 1.00 0.00 C ATOM 1931 OD1 ASP A 123 3.177 13.015 -11.276 1.00 0.00 O ATOM 1932 OD2 ASP A 123 3.511 11.596 -12.864 1.00 0.00 O ATOM 0 H ASP A 123 2.261 11.185 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 123 -0.112 12.672 -11.081 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.183 12.009 -13.628 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.090 13.554 -12.807 1.00 0.00 H new ATOM 1937 N PHE A 124 -0.125 9.829 -12.760 1.00 0.00 N ATOM 1938 CA PHE A 124 -1.050 8.873 -13.425 1.00 0.00 C ATOM 1939 C PHE A 124 -2.269 8.668 -12.544 1.00 0.00 C ATOM 1940 O PHE A 124 -3.396 8.627 -12.997 1.00 0.00 O ATOM 1941 CB PHE A 124 -0.349 7.532 -13.585 1.00 0.00 C ATOM 1942 CG PHE A 124 -1.356 6.496 -14.019 1.00 0.00 C ATOM 1943 CD1 PHE A 124 -1.812 6.466 -15.343 1.00 0.00 C ATOM 1944 CD2 PHE A 124 -1.845 5.571 -13.090 1.00 0.00 C ATOM 1945 CE1 PHE A 124 -2.757 5.509 -15.734 1.00 0.00 C ATOM 1946 CE2 PHE A 124 -2.788 4.615 -13.480 1.00 0.00 C ATOM 1947 CZ PHE A 124 -3.244 4.584 -14.801 1.00 0.00 C ATOM 0 H PHE A 124 0.850 9.532 -12.721 1.00 0.00 H new ATOM 0 HA PHE A 124 -1.345 9.267 -14.398 1.00 0.00 H new ATOM 0 HB2 PHE A 124 0.450 7.611 -14.322 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.114 7.235 -12.644 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -1.436 7.179 -16.061 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -1.493 5.595 -12.069 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -3.110 5.484 -16.754 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -3.164 3.901 -12.761 1.00 0.00 H new ATOM 0 HZ PHE A 124 -3.973 3.846 -15.103 1.00 0.00 H new ATOM 1957 N ILE A 125 -2.032 8.533 -11.281 1.00 0.00 N ATOM 1958 CA ILE A 125 -3.147 8.318 -10.322 1.00 0.00 C ATOM 1959 C ILE A 125 -3.867 9.647 -10.093 1.00 0.00 C ATOM 1960 O ILE A 125 -5.026 9.682 -9.732 1.00 0.00 O ATOM 1961 CB ILE A 125 -2.598 7.799 -8.986 1.00 0.00 C ATOM 1962 CG1 ILE A 125 -1.521 6.721 -9.227 1.00 0.00 C ATOM 1963 CG2 ILE A 125 -3.748 7.207 -8.165 1.00 0.00 C ATOM 1964 CD1 ILE A 125 -2.130 5.324 -9.099 1.00 0.00 C ATOM 0 H ILE A 125 -1.103 8.562 -10.861 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.840 7.582 -10.730 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.143 8.627 -8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.087 6.846 -10.219 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.711 6.839 -8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.364 6.837 -7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.496 7.977 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.204 6.385 -8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.359 4.574 -9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.542 5.197 -8.098 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.924 5.204 -9.836 1.00 0.00 H new ATOM 1976 N ARG A 126 -3.191 10.743 -10.306 1.00 0.00 N ATOM 1977 CA ARG A 126 -3.841 12.067 -10.108 1.00 0.00 C ATOM 1978 C ARG A 126 -4.965 12.231 -11.132 1.00 0.00 C ATOM 1979 O ARG A 126 -6.103 12.473 -10.786 1.00 0.00 O ATOM 1980 CB ARG A 126 -2.808 13.179 -10.297 1.00 0.00 C ATOM 1981 CG ARG A 126 -3.457 14.534 -10.006 1.00 0.00 C ATOM 1982 CD ARG A 126 -2.493 15.398 -9.190 1.00 0.00 C ATOM 1983 NE ARG A 126 -1.111 15.241 -9.727 1.00 0.00 N ATOM 1984 CZ ARG A 126 -0.182 16.094 -9.393 1.00 0.00 C ATOM 1985 NH1 ARG A 126 -0.462 17.084 -8.591 1.00 0.00 N ATOM 1986 NH2 ARG A 126 1.028 15.957 -9.862 1.00 0.00 N ATOM 0 H ARG A 126 -2.217 10.778 -10.608 1.00 0.00 H new ATOM 0 HA ARG A 126 -4.251 12.127 -9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.960 13.019 -9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.421 13.161 -11.316 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.710 15.036 -10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -4.388 14.393 -9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.796 16.444 -9.237 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -2.523 15.104 -8.141 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.892 14.468 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.408 17.192 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.265 17.750 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 126 1.247 15.183 -10.489 1.00 0.00 H new ATOM 0 HH22 ARG A 126 1.755 16.624 -9.601 1.00 0.00 H new ATOM 2000 N SER A 127 -4.651 12.100 -12.393 1.00 0.00 N ATOM 2001 CA SER A 127 -5.703 12.246 -13.439 1.00 0.00 C ATOM 2002 C SER A 127 -6.759 11.155 -13.252 1.00 0.00 C ATOM 2003 O SER A 127 -7.879 11.279 -13.704 1.00 0.00 O ATOM 2004 CB SER A 127 -5.066 12.109 -14.822 1.00 0.00 C ATOM 2005 OG SER A 127 -6.086 11.879 -15.786 1.00 0.00 O ATOM 0 H SER A 127 -3.714 11.899 -12.743 1.00 0.00 H new ATOM 0 HA SER A 127 -6.173 13.226 -13.351 1.00 0.00 H new ATOM 0 HB2 SER A 127 -4.511 13.013 -15.071 1.00 0.00 H new ATOM 0 HB3 SER A 127 -4.352 11.285 -14.827 1.00 0.00 H new ATOM 0 HG SER A 127 -5.682 11.792 -16.675 1.00 0.00 H new ATOM 2011 N GLU A 128 -6.411 10.088 -12.586 1.00 0.00 N ATOM 2012 CA GLU A 128 -7.399 8.993 -12.369 1.00 0.00 C ATOM 2013 C GLU A 128 -8.379 9.403 -11.273 1.00 0.00 C ATOM 2014 O GLU A 128 -9.568 9.182 -11.378 1.00 0.00 O ATOM 2015 CB GLU A 128 -6.669 7.714 -11.956 1.00 0.00 C ATOM 2016 CG GLU A 128 -5.747 7.262 -13.091 1.00 0.00 C ATOM 2017 CD GLU A 128 -6.444 6.181 -13.917 1.00 0.00 C ATOM 2018 OE1 GLU A 128 -6.368 5.027 -13.531 1.00 0.00 O ATOM 2019 OE2 GLU A 128 -7.044 6.526 -14.923 1.00 0.00 O ATOM 0 H GLU A 128 -5.488 9.927 -12.184 1.00 0.00 H new ATOM 0 HA GLU A 128 -7.946 8.810 -13.294 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -6.089 7.890 -11.050 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.390 6.930 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -5.491 8.111 -13.725 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -4.813 6.876 -12.683 1.00 0.00 H new ATOM 2026 N LEU A 129 -7.895 10.007 -10.223 1.00 0.00 N ATOM 2027 CA LEU A 129 -8.817 10.432 -9.137 1.00 0.00 C ATOM 2028 C LEU A 129 -9.683 11.572 -9.655 1.00 0.00 C ATOM 2029 O LEU A 129 -10.863 11.643 -9.374 1.00 0.00 O ATOM 2030 CB LEU A 129 -8.009 10.900 -7.924 1.00 0.00 C ATOM 2031 CG LEU A 129 -7.336 9.697 -7.261 1.00 0.00 C ATOM 2032 CD1 LEU A 129 -6.080 10.157 -6.520 1.00 0.00 C ATOM 2033 CD2 LEU A 129 -8.306 9.052 -6.268 1.00 0.00 C ATOM 0 H LEU A 129 -6.910 10.222 -10.072 1.00 0.00 H new ATOM 0 HA LEU A 129 -9.447 9.596 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -7.257 11.626 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.662 11.403 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.061 8.970 -8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.601 9.299 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -5.388 10.615 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.354 10.885 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.826 8.195 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.582 9.779 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.201 8.722 -6.796 1.00 0.00 H new ATOM 2045 N LYS A 130 -9.119 12.458 -10.429 1.00 0.00 N ATOM 2046 CA LYS A 130 -9.930 13.575 -10.979 1.00 0.00 C ATOM 2047 C LYS A 130 -11.141 12.987 -11.702 1.00 0.00 C ATOM 2048 O LYS A 130 -12.005 13.699 -12.173 1.00 0.00 O ATOM 2049 CB LYS A 130 -9.086 14.385 -11.965 1.00 0.00 C ATOM 2050 CG LYS A 130 -8.520 15.619 -11.260 1.00 0.00 C ATOM 2051 CD LYS A 130 -7.573 15.181 -10.142 1.00 0.00 C ATOM 2052 CE LYS A 130 -7.102 16.408 -9.360 1.00 0.00 C ATOM 2053 NZ LYS A 130 -6.709 17.484 -10.313 1.00 0.00 N ATOM 0 H LYS A 130 -8.136 12.455 -10.702 1.00 0.00 H new ATOM 0 HA LYS A 130 -10.259 14.230 -10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -8.274 13.771 -12.354 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -9.694 14.687 -12.818 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -7.989 16.247 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -9.331 16.220 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -8.080 14.484 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.716 14.654 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -7.897 16.761 -8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -6.257 16.145 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -6.048 18.137 -9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -6.248 17.061 -11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.556 18.006 -10.616 1.00 0.00 H new ATOM 2067 N LYS A 131 -11.196 11.679 -11.794 1.00 0.00 N ATOM 2068 CA LYS A 131 -12.333 11.010 -12.481 1.00 0.00 C ATOM 2069 C LYS A 131 -12.378 11.455 -13.935 1.00 0.00 C ATOM 2070 O LYS A 131 -12.822 12.539 -14.258 1.00 0.00 O ATOM 2071 CB LYS A 131 -13.651 11.353 -11.776 1.00 0.00 C ATOM 2072 CG LYS A 131 -14.814 11.319 -12.773 1.00 0.00 C ATOM 2073 CD LYS A 131 -16.126 11.100 -12.016 1.00 0.00 C ATOM 2074 CE LYS A 131 -17.231 11.943 -12.653 1.00 0.00 C ATOM 2075 NZ LYS A 131 -17.105 11.889 -14.136 1.00 0.00 N ATOM 0 H LYS A 131 -10.492 11.045 -11.417 1.00 0.00 H new ATOM 0 HA LYS A 131 -12.194 9.930 -12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -13.835 10.644 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -13.582 12.341 -11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -14.856 12.254 -13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -14.662 10.520 -13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -16.400 10.045 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -16.003 11.374 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -18.209 11.571 -12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -17.160 12.975 -12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -18.043 12.008 -14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -16.475 12.651 -14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -16.708 10.970 -14.417 1.00 0.00 H new ATOM 2089 N ALA A 132 -11.913 10.621 -14.816 1.00 0.00 N ATOM 2090 CA ALA A 132 -11.926 10.987 -16.255 1.00 0.00 C ATOM 2091 C ALA A 132 -12.077 9.723 -17.104 1.00 0.00 C ATOM 2092 O ALA A 132 -11.431 9.566 -18.122 1.00 0.00 O ATOM 2093 CB ALA A 132 -10.619 11.696 -16.616 1.00 0.00 C ATOM 0 H ALA A 132 -11.525 9.702 -14.603 1.00 0.00 H new ATOM 0 HA ALA A 132 -12.765 11.655 -16.451 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -10.630 11.964 -17.673 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -10.516 12.599 -16.014 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -9.778 11.031 -16.419 1.00 0.00 H new ATOM 2099 N GLY A 133 -12.923 8.820 -16.693 1.00 0.00 N ATOM 2100 CA GLY A 133 -13.114 7.566 -17.477 1.00 0.00 C ATOM 2101 C GLY A 133 -14.183 7.792 -18.548 1.00 0.00 C ATOM 2102 O GLY A 133 -14.091 7.283 -19.647 1.00 0.00 O ATOM 0 H GLY A 133 -13.490 8.895 -15.849 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.174 7.269 -17.943 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -13.413 6.753 -16.816 1.00 0.00 H new ATOM 2106 N GLY A 134 -15.198 8.549 -18.236 1.00 0.00 N ATOM 2107 CA GLY A 134 -16.273 8.806 -19.236 1.00 0.00 C ATOM 2108 C GLY A 134 -16.063 10.183 -19.870 1.00 0.00 C ATOM 2109 O GLY A 134 -16.025 11.190 -19.190 1.00 0.00 O ATOM 0 H GLY A 134 -15.330 9.001 -17.331 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -16.260 8.034 -20.005 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -17.250 8.761 -18.755 1.00 0.00 H new ATOM 2113 N ALA A 135 -15.925 10.235 -21.166 1.00 0.00 N ATOM 2114 CA ALA A 135 -15.718 11.548 -21.841 1.00 0.00 C ATOM 2115 C ALA A 135 -16.358 11.513 -23.231 1.00 0.00 C ATOM 2116 O ALA A 135 -15.679 11.554 -24.237 1.00 0.00 O ATOM 2117 CB ALA A 135 -14.218 11.820 -21.976 1.00 0.00 C ATOM 0 H ALA A 135 -15.947 9.426 -21.787 1.00 0.00 H new ATOM 0 HA ALA A 135 -16.179 12.339 -21.249 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -14.065 12.780 -22.469 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -13.762 11.844 -20.986 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.757 11.030 -22.569 1.00 0.00 H new ATOM 2123 N ASN A 136 -17.659 11.440 -23.294 1.00 0.00 N ATOM 2124 CA ASN A 136 -18.340 11.403 -24.618 1.00 0.00 C ATOM 2125 C ASN A 136 -18.340 12.806 -25.231 1.00 0.00 C ATOM 2126 O ASN A 136 -17.985 12.993 -26.377 1.00 0.00 O ATOM 2127 CB ASN A 136 -19.782 10.925 -24.437 1.00 0.00 C ATOM 2128 CG ASN A 136 -19.940 10.289 -23.056 1.00 0.00 C ATOM 2129 OD1 ASN A 136 -19.075 9.563 -22.606 1.00 0.00 O ATOM 2130 ND2 ASN A 136 -21.016 10.531 -22.358 1.00 0.00 N ATOM 0 H ASN A 136 -18.280 11.404 -22.485 1.00 0.00 H new ATOM 0 HA ASN A 136 -17.811 10.717 -25.280 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -20.470 11.764 -24.544 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -20.037 10.203 -25.213 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -21.131 10.111 -21.436 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -21.742 11.140 -22.735 1.00 0.00 H new ATOM 2137 N TYR A 137 -18.736 13.792 -24.474 1.00 0.00 N ATOM 2138 CA TYR A 137 -18.758 15.181 -25.014 1.00 0.00 C ATOM 2139 C TYR A 137 -19.532 15.203 -26.334 1.00 0.00 C ATOM 2140 O TYR A 137 -19.342 16.073 -27.161 1.00 0.00 O ATOM 2141 CB TYR A 137 -17.325 15.658 -25.255 1.00 0.00 C ATOM 2142 CG TYR A 137 -17.345 17.080 -25.763 1.00 0.00 C ATOM 2143 CD1 TYR A 137 -17.795 18.114 -24.933 1.00 0.00 C ATOM 2144 CD2 TYR A 137 -16.913 17.364 -27.064 1.00 0.00 C ATOM 2145 CE1 TYR A 137 -17.814 19.431 -25.404 1.00 0.00 C ATOM 2146 CE2 TYR A 137 -16.932 18.683 -27.535 1.00 0.00 C ATOM 2147 CZ TYR A 137 -17.383 19.717 -26.704 1.00 0.00 C ATOM 2148 OH TYR A 137 -17.401 21.016 -27.168 1.00 0.00 O ATOM 0 H TYR A 137 -19.045 13.696 -23.507 1.00 0.00 H new ATOM 0 HA TYR A 137 -19.244 15.842 -24.296 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -16.751 15.599 -24.330 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -16.832 15.009 -25.979 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -18.127 17.895 -23.929 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -16.565 16.567 -27.704 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.162 20.228 -24.763 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -16.599 18.903 -28.539 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.068 21.039 -28.090 1.00 0.00 H new ATOM 2158 N ASP A 138 -20.404 14.254 -26.537 1.00 0.00 N ATOM 2159 CA ASP A 138 -21.190 14.222 -27.802 1.00 0.00 C ATOM 2160 C ASP A 138 -22.338 13.220 -27.665 1.00 0.00 C ATOM 2161 O ASP A 138 -23.496 13.572 -27.756 1.00 0.00 O ATOM 2162 CB ASP A 138 -20.279 13.799 -28.957 1.00 0.00 C ATOM 2163 CG ASP A 138 -20.983 12.735 -29.800 1.00 0.00 C ATOM 2164 OD1 ASP A 138 -22.094 12.991 -30.235 1.00 0.00 O ATOM 2165 OD2 ASP A 138 -20.400 11.682 -29.997 1.00 0.00 O ATOM 0 H ASP A 138 -20.606 13.499 -25.881 1.00 0.00 H new ATOM 0 HA ASP A 138 -21.596 15.213 -28.003 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -20.032 14.663 -29.575 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -19.339 13.407 -28.568 1.00 0.00 H new ATOM 2170 N ALA A 139 -22.024 11.971 -27.448 1.00 0.00 N ATOM 2171 CA ALA A 139 -23.098 10.948 -27.305 1.00 0.00 C ATOM 2172 C ALA A 139 -22.468 9.558 -27.202 1.00 0.00 C ATOM 2173 O ALA A 139 -21.735 9.132 -28.073 1.00 0.00 O ATOM 2174 CB ALA A 139 -24.019 11.001 -28.526 1.00 0.00 C ATOM 0 H ALA A 139 -21.072 11.616 -27.364 1.00 0.00 H new ATOM 0 HA ALA A 139 -23.677 11.152 -26.404 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -24.805 10.253 -28.422 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -24.468 11.991 -28.600 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -23.441 10.797 -29.427 1.00 0.00 H new ATOM 2180 N GLN A 140 -22.746 8.847 -26.143 1.00 0.00 N ATOM 2181 CA GLN A 140 -22.163 7.485 -25.986 1.00 0.00 C ATOM 2182 C GLN A 140 -23.030 6.469 -26.731 1.00 0.00 C ATOM 2183 O GLN A 140 -24.193 6.292 -26.428 1.00 0.00 O ATOM 2184 CB GLN A 140 -22.111 7.121 -24.501 1.00 0.00 C ATOM 2185 CG GLN A 140 -20.964 6.139 -24.254 1.00 0.00 C ATOM 2186 CD GLN A 140 -21.207 4.858 -25.054 1.00 0.00 C ATOM 2187 OE1 GLN A 140 -20.544 4.609 -26.041 1.00 0.00 O ATOM 2188 NE2 GLN A 140 -22.138 4.029 -24.668 1.00 0.00 N ATOM 0 H GLN A 140 -23.351 9.151 -25.380 1.00 0.00 H new ATOM 0 HA GLN A 140 -21.154 7.472 -26.399 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -21.970 8.020 -23.901 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -23.057 6.676 -24.192 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -20.016 6.589 -24.548 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -20.891 5.908 -23.191 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -22.695 4.238 -23.839 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -22.309 3.172 -25.195 1.00 0.00 H new ATOM 2197 N SER A 141 -22.474 5.799 -27.703 1.00 0.00 N ATOM 2198 CA SER A 141 -23.267 4.796 -28.466 1.00 0.00 C ATOM 2199 C SER A 141 -24.587 5.426 -28.918 1.00 0.00 C ATOM 2200 O SER A 141 -24.864 6.575 -28.641 1.00 0.00 O ATOM 2201 CB SER A 141 -23.558 3.590 -27.572 1.00 0.00 C ATOM 2202 OG SER A 141 -24.800 3.012 -27.953 1.00 0.00 O ATOM 0 H SER A 141 -21.504 5.903 -28.001 1.00 0.00 H new ATOM 0 HA SER A 141 -22.701 4.473 -29.339 1.00 0.00 H new ATOM 0 HB2 SER A 141 -22.759 2.855 -27.662 1.00 0.00 H new ATOM 0 HB3 SER A 141 -23.592 3.897 -26.527 1.00 0.00 H new ATOM 0 HG SER A 141 -24.989 2.237 -27.383 1.00 0.00 H new ATOM 2208 N GLU A 142 -25.404 4.680 -29.612 1.00 0.00 N ATOM 2209 CA GLU A 142 -26.704 5.238 -30.080 1.00 0.00 C ATOM 2210 C GLU A 142 -27.500 5.754 -28.880 1.00 0.00 C ATOM 2211 O GLU A 142 -27.549 6.960 -28.701 1.00 0.00 O ATOM 2212 CB GLU A 142 -27.502 4.141 -30.788 1.00 0.00 C ATOM 2213 CG GLU A 142 -28.930 4.631 -31.042 1.00 0.00 C ATOM 2214 CD GLU A 142 -29.432 4.073 -32.374 1.00 0.00 C ATOM 2215 OE1 GLU A 142 -30.001 2.994 -32.366 1.00 0.00 O ATOM 2216 OE2 GLU A 142 -29.239 4.735 -33.381 1.00 0.00 O ATOM 2217 OXT GLU A 142 -28.046 4.935 -28.160 1.00 0.00 O ATOM 0 H GLU A 142 -25.227 3.710 -29.874 1.00 0.00 H new ATOM 0 HA GLU A 142 -26.519 6.059 -30.773 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -27.023 3.879 -31.731 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -27.519 3.238 -30.178 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -29.585 4.311 -30.232 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -28.954 5.721 -31.060 1.00 0.00 H new TER 2224 GLU A 142