USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.7!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0111 USER MOD Set 2.1: A 74 ASN : amide:sc= -4.17! C(o=-4.6!,f=-6.9!) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.458 K(o=-4.6,f=-5.4) USER MOD Set 3.1: A 65 ASN : amide:sc= -0.189 X(o=-0.14,f=0.051) USER MOD Set 3.2: A 72 SER OG : rot 81:sc= 0.0535 USER MOD Set 4.1: A 51 THR OG1 : rot -22:sc= 0.537 USER MOD Set 4.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 46 ASN : amide:sc= 0 K(o=0.63,f=0.089) USER MOD Set 5.2: A 50 SER OG : rot 32:sc= 0.628 USER MOD Set 6.1: A 24 SER OG : rot -26:sc= 0.783 USER MOD Set 6.2: A 27 ASN :FLIP amide:sc= -1.34 F(o=-3!,f=-0.56) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -154:sc= -11.2! (180deg=-14!) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0201) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -92:sc= -2.14! USER MOD Single : A 37 ASN : amide:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.5 F(o=-5.9!,f=-0.5) USER MOD Single : A 40 THR OG1 : rot -79:sc= 0.00355 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 5:sc= 0.693 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.5) USER MOD Single : A 59 ASN :FLIP amide:sc= -3.31! C(o=-7.5!,f=-3.3!) USER MOD Single : A 60 SER OG : rot -42:sc= -0.224 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0552 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= -1.11 USER MOD Single : A 93 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.18) USER MOD Single : A 96 LYS NZ :NH3+ -118:sc= -0.109 (180deg=-1.27!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -24:sc= 0.263 USER MOD Single : A 103 ASN : amide:sc= -1.9! C(o=-1.9!,f=-1.6!) USER MOD Single : A 105 MET CE :methyl -138:sc= -0.464 (180deg=-1.71) USER MOD Single : A 106 ASN : amide:sc= -0.0709 K(o=-0.071,f=-0.87) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.291 F(o=-1.9!,f=-0.29) USER MOD Single : A 116 LYS NZ :NH3+ 159:sc= 0.132 (180deg=0.0419) USER MOD Single : A 118 THR OG1 : rot -59:sc= 0.828 USER MOD Single : A 121 GLN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.193 -9.905 1.371 1.00 0.00 N ATOM 2 CA LYS A 1 -5.909 -10.569 1.024 1.00 0.00 C ATOM 3 C LYS A 1 -4.771 -9.559 0.937 1.00 0.00 C ATOM 4 O LYS A 1 -4.817 -8.626 0.134 1.00 0.00 O ATOM 5 CB LYS A 1 -6.080 -11.288 -0.315 1.00 0.00 C ATOM 6 CG LYS A 1 -5.014 -12.338 -0.583 1.00 0.00 C ATOM 7 CD LYS A 1 -5.602 -13.574 -1.244 1.00 0.00 C ATOM 8 CE LYS A 1 -4.638 -14.177 -2.254 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.485 -14.845 -1.590 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.949 -10.617 1.423 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.101 -9.430 2.292 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.429 -9.203 0.641 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.653 -11.284 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.061 -11.763 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.062 -10.551 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.239 -11.916 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.535 -12.619 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.844 -14.315 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.536 -13.312 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.168 -14.899 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.271 -13.394 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.851 -15.243 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.964 -14.150 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.833 -15.609 -0.976 1.00 0.00 H new ATOM 25 N VAL A 2 -3.751 -9.749 1.768 1.00 0.00 N ATOM 26 CA VAL A 2 -2.600 -8.855 1.786 1.00 0.00 C ATOM 27 C VAL A 2 -1.372 -9.529 1.178 1.00 0.00 C ATOM 28 O VAL A 2 -1.078 -10.685 1.481 1.00 0.00 O ATOM 29 CB VAL A 2 -2.262 -8.404 3.225 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.954 -7.632 3.261 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.386 -7.558 3.801 1.00 0.00 C ATOM 0 H VAL A 2 -3.699 -10.516 2.439 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.867 -7.982 1.190 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.149 -9.299 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.740 -7.326 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.147 -8.267 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.036 -6.748 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.128 -7.251 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.531 -6.674 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.306 -8.141 3.822 1.00 0.00 H new ATOM 41 N PHE A 3 -0.644 -8.793 0.341 1.00 0.00 N ATOM 42 CA PHE A 3 0.564 -9.314 -0.280 1.00 0.00 C ATOM 43 C PHE A 3 1.702 -9.337 0.729 1.00 0.00 C ATOM 44 O PHE A 3 1.577 -8.815 1.835 1.00 0.00 O ATOM 45 CB PHE A 3 0.988 -8.441 -1.464 1.00 0.00 C ATOM 46 CG PHE A 3 0.055 -8.469 -2.638 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.705 -9.589 -2.926 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.045 -7.365 -3.466 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.548 -9.607 -4.020 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.885 -7.375 -4.557 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.639 -8.497 -4.837 1.00 0.00 C ATOM 0 H PHE A 3 -0.873 -7.834 0.079 1.00 0.00 H new ATOM 0 HA PHE A 3 0.349 -10.324 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.085 -7.411 -1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.976 -8.760 -1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.638 -10.458 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.543 -6.484 -3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.135 -10.487 -4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.954 -6.505 -5.194 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.298 -8.507 -5.692 1.00 0.00 H new ATOM 61 N GLY A 4 2.820 -9.922 0.328 1.00 0.00 N ATOM 62 CA GLY A 4 3.979 -9.975 1.194 1.00 0.00 C ATOM 63 C GLY A 4 4.939 -8.843 0.891 1.00 0.00 C ATOM 64 O GLY A 4 4.526 -7.788 0.411 1.00 0.00 O ATOM 0 H GLY A 4 2.946 -10.362 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.662 -9.918 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.488 -10.931 1.068 1.00 0.00 H new ATOM 68 N ARG A 5 6.220 -9.056 1.159 1.00 0.00 N ATOM 69 CA ARG A 5 7.224 -8.033 0.895 1.00 0.00 C ATOM 70 C ARG A 5 7.792 -8.179 -0.506 1.00 0.00 C ATOM 71 O ARG A 5 7.733 -7.246 -1.306 1.00 0.00 O ATOM 72 CB ARG A 5 8.347 -8.098 1.932 1.00 0.00 C ATOM 73 CG ARG A 5 7.849 -8.100 3.369 1.00 0.00 C ATOM 74 CD ARG A 5 8.843 -7.433 4.305 1.00 0.00 C ATOM 75 NE ARG A 5 10.169 -8.037 4.214 1.00 0.00 N ATOM 76 CZ ARG A 5 10.531 -9.126 4.887 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.668 -9.727 5.696 1.00 0.00 N ATOM 78 NH2 ARG A 5 11.756 -9.615 4.751 1.00 0.00 N ATOM 0 H ARG A 5 6.587 -9.921 1.556 1.00 0.00 H new ATOM 0 HA ARG A 5 6.739 -7.060 0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.938 -8.998 1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.013 -7.247 1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.892 -7.581 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.675 -9.126 3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.911 -6.372 4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.481 -7.506 5.330 1.00 0.00 H new ATOM 0 HE ARG A 5 10.856 -7.600 3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.725 -9.354 5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.948 -10.562 6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.422 -9.156 4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.032 -10.450 5.268 1.00 0.00 H new ATOM 92 N CYS A 6 8.342 -9.348 -0.803 1.00 0.00 N ATOM 93 CA CYS A 6 8.912 -9.584 -2.116 1.00 0.00 C ATOM 94 C CYS A 6 7.851 -10.037 -3.103 1.00 0.00 C ATOM 95 O CYS A 6 7.882 -9.642 -4.260 1.00 0.00 O ATOM 96 CB CYS A 6 10.029 -10.612 -2.054 1.00 0.00 C ATOM 97 SG CYS A 6 11.164 -10.395 -0.646 1.00 0.00 S ATOM 0 H CYS A 6 8.404 -10.137 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 6 9.328 -8.637 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.589 -11.608 -2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.603 -10.565 -2.980 1.00 0.00 H new ATOM 102 N GLU A 7 6.907 -10.854 -2.647 1.00 0.00 N ATOM 103 CA GLU A 7 5.839 -11.322 -3.525 1.00 0.00 C ATOM 104 C GLU A 7 5.296 -10.141 -4.315 1.00 0.00 C ATOM 105 O GLU A 7 5.223 -10.169 -5.547 1.00 0.00 O ATOM 106 CB GLU A 7 4.721 -11.978 -2.713 1.00 0.00 C ATOM 107 CG GLU A 7 5.157 -13.236 -1.981 1.00 0.00 C ATOM 108 CD GLU A 7 4.299 -14.438 -2.324 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.107 -14.442 -1.950 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.817 -15.374 -2.967 1.00 0.00 O ATOM 0 H GLU A 7 6.858 -11.202 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 7 6.238 -12.070 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.341 -11.259 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.895 -12.224 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.196 -13.454 -2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.115 -13.059 -0.906 1.00 0.00 H new ATOM 117 N LEU A 8 4.951 -9.088 -3.587 1.00 0.00 N ATOM 118 CA LEU A 8 4.446 -7.872 -4.193 1.00 0.00 C ATOM 119 C LEU A 8 5.527 -7.216 -5.046 1.00 0.00 C ATOM 120 O LEU A 8 5.240 -6.726 -6.135 1.00 0.00 O ATOM 121 CB LEU A 8 3.962 -6.898 -3.109 1.00 0.00 C ATOM 122 CG LEU A 8 3.370 -5.571 -3.607 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.459 -4.517 -3.749 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.631 -5.755 -4.926 1.00 0.00 C ATOM 0 H LEU A 8 5.014 -9.056 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 8 3.603 -8.128 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.209 -7.404 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.801 -6.673 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 8 2.650 -5.229 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.019 -3.585 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.933 -4.351 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.206 -4.860 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.224 -4.798 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.322 -6.131 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.818 -6.468 -4.791 1.00 0.00 H new ATOM 136 N ALA A 9 6.772 -7.215 -4.552 1.00 0.00 N ATOM 137 CA ALA A 9 7.879 -6.609 -5.291 1.00 0.00 C ATOM 138 C ALA A 9 8.085 -7.287 -6.638 1.00 0.00 C ATOM 139 O ALA A 9 8.138 -6.621 -7.670 1.00 0.00 O ATOM 140 CB ALA A 9 9.159 -6.644 -4.477 1.00 0.00 C ATOM 0 H ALA A 9 7.033 -7.623 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 9 7.617 -5.567 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.967 -6.187 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.015 -6.092 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.416 -7.678 -4.248 1.00 0.00 H new ATOM 146 N ALA A 10 8.192 -8.613 -6.631 1.00 0.00 N ATOM 147 CA ALA A 10 8.375 -9.363 -7.862 1.00 0.00 C ATOM 148 C ALA A 10 7.313 -8.955 -8.866 1.00 0.00 C ATOM 149 O ALA A 10 7.588 -8.814 -10.058 1.00 0.00 O ATOM 150 CB ALA A 10 8.310 -10.860 -7.590 1.00 0.00 C ATOM 0 H ALA A 10 8.155 -9.185 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 10 9.359 -9.139 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.449 -11.406 -8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.096 -11.137 -6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.338 -11.111 -7.164 1.00 0.00 H new ATOM 156 N ALA A 11 6.096 -8.743 -8.368 1.00 0.00 N ATOM 157 CA ALA A 11 4.998 -8.324 -9.221 1.00 0.00 C ATOM 158 C ALA A 11 5.288 -6.960 -9.809 1.00 0.00 C ATOM 159 O ALA A 11 4.965 -6.673 -10.961 1.00 0.00 O ATOM 160 CB ALA A 11 3.686 -8.319 -8.451 1.00 0.00 C ATOM 0 H ALA A 11 5.852 -8.855 -7.384 1.00 0.00 H new ATOM 0 HA ALA A 11 4.899 -9.038 -10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.878 -8.002 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.478 -9.322 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.760 -7.629 -7.610 1.00 0.00 H new ATOM 166 N MET A 12 5.913 -6.138 -8.997 1.00 0.00 N ATOM 167 CA MET A 12 6.287 -4.785 -9.406 1.00 0.00 C ATOM 168 C MET A 12 7.274 -4.836 -10.563 1.00 0.00 C ATOM 169 O MET A 12 7.095 -4.163 -11.579 1.00 0.00 O ATOM 170 CB MET A 12 6.922 -4.014 -8.251 1.00 0.00 C ATOM 171 CG MET A 12 6.225 -4.213 -6.919 1.00 0.00 C ATOM 172 SD MET A 12 4.632 -3.377 -6.845 1.00 0.00 S ATOM 173 CE MET A 12 5.103 -1.741 -7.389 1.00 0.00 C ATOM 0 H MET A 12 6.179 -6.376 -8.041 1.00 0.00 H new ATOM 0 HA MET A 12 5.376 -4.274 -9.717 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.964 -4.319 -8.153 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.923 -2.951 -8.494 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.081 -5.279 -6.743 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.865 -3.841 -6.118 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.406 -1.008 -6.983 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.110 -1.517 -7.038 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.080 -1.699 -8.478 1.00 0.00 H new ATOM 183 N LYS A 13 8.319 -5.644 -10.396 1.00 0.00 N ATOM 184 CA LYS A 13 9.345 -5.795 -11.420 1.00 0.00 C ATOM 185 C LYS A 13 8.704 -6.102 -12.763 1.00 0.00 C ATOM 186 O LYS A 13 8.990 -5.447 -13.765 1.00 0.00 O ATOM 187 CB LYS A 13 10.322 -6.907 -11.038 1.00 0.00 C ATOM 188 CG LYS A 13 11.681 -6.781 -11.709 1.00 0.00 C ATOM 189 CD LYS A 13 12.288 -8.144 -11.998 1.00 0.00 C ATOM 190 CE LYS A 13 13.649 -8.299 -11.338 1.00 0.00 C ATOM 191 NZ LYS A 13 14.658 -7.373 -11.923 1.00 0.00 N ATOM 0 H LYS A 13 8.476 -6.205 -9.558 1.00 0.00 H new ATOM 0 HA LYS A 13 9.897 -4.858 -11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.458 -6.904 -9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.884 -7.870 -11.301 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.578 -6.223 -12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.353 -6.211 -11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.618 -8.925 -11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.387 -8.278 -13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.558 -8.108 -10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.992 -9.328 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.602 -7.612 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.655 -7.465 -12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.423 -6.394 -11.662 1.00 0.00 H new ATOM 205 N ARG A 14 7.824 -7.096 -12.770 1.00 0.00 N ATOM 206 CA ARG A 14 7.129 -7.482 -13.986 1.00 0.00 C ATOM 207 C ARG A 14 6.270 -6.329 -14.483 1.00 0.00 C ATOM 208 O ARG A 14 6.116 -6.131 -15.688 1.00 0.00 O ATOM 209 CB ARG A 14 6.261 -8.716 -13.735 1.00 0.00 C ATOM 210 CG ARG A 14 6.794 -9.980 -14.391 1.00 0.00 C ATOM 211 CD ARG A 14 5.722 -10.677 -15.213 1.00 0.00 C ATOM 212 NE ARG A 14 5.156 -11.826 -14.512 1.00 0.00 N ATOM 213 CZ ARG A 14 4.146 -12.552 -14.981 1.00 0.00 C ATOM 214 NH1 ARG A 14 3.591 -12.248 -16.147 1.00 0.00 N ATOM 215 NH2 ARG A 14 3.688 -13.582 -14.283 1.00 0.00 N ATOM 0 H ARG A 14 7.577 -7.647 -11.948 1.00 0.00 H new ATOM 0 HA ARG A 14 7.868 -7.727 -14.749 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.181 -8.881 -12.661 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.254 -8.522 -14.104 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.640 -9.730 -15.032 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.165 -10.660 -13.624 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.928 -9.969 -15.448 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.148 -11.005 -16.161 1.00 0.00 H new ATOM 0 HE ARG A 14 5.558 -12.086 -13.612 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.939 -11.455 -16.686 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.816 -12.807 -16.504 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.111 -13.818 -13.385 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.913 -14.138 -14.644 1.00 0.00 H new ATOM 229 N HIS A 15 5.687 -5.586 -13.544 1.00 0.00 N ATOM 230 CA HIS A 15 4.814 -4.471 -13.884 1.00 0.00 C ATOM 231 C HIS A 15 5.605 -3.246 -14.331 1.00 0.00 C ATOM 232 O HIS A 15 5.017 -2.255 -14.765 1.00 0.00 O ATOM 233 CB HIS A 15 3.939 -4.108 -12.685 1.00 0.00 C ATOM 234 CG HIS A 15 2.645 -4.861 -12.633 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.042 -5.239 -11.452 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.836 -5.304 -13.625 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.919 -5.883 -11.720 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.772 -5.935 -13.030 1.00 0.00 N ATOM 0 H HIS A 15 5.805 -5.738 -12.542 1.00 0.00 H new ATOM 0 HA HIS A 15 4.187 -4.787 -14.718 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.497 -4.299 -11.768 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.726 -3.039 -12.712 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.998 -5.183 -14.686 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.238 -6.296 -10.991 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.007 -6.373 -13.522 1.00 0.00 H new ATOM 247 N GLY A 16 6.935 -3.321 -14.283 1.00 0.00 N ATOM 248 CA GLY A 16 7.754 -2.218 -14.746 1.00 0.00 C ATOM 249 C GLY A 16 7.824 -1.020 -13.817 1.00 0.00 C ATOM 250 O GLY A 16 8.093 0.087 -14.282 1.00 0.00 O ATOM 0 H GLY A 16 7.456 -4.125 -13.932 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.766 -2.586 -14.913 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.372 -1.885 -15.711 1.00 0.00 H new ATOM 254 N LEU A 17 7.593 -1.198 -12.514 1.00 0.00 N ATOM 255 CA LEU A 17 7.658 -0.054 -11.611 1.00 0.00 C ATOM 256 C LEU A 17 9.064 0.138 -11.077 1.00 0.00 C ATOM 257 O LEU A 17 9.353 1.106 -10.377 1.00 0.00 O ATOM 258 CB LEU A 17 6.669 -0.197 -10.452 1.00 0.00 C ATOM 259 CG LEU A 17 5.287 -0.753 -10.811 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.224 -0.133 -9.920 1.00 0.00 C ATOM 261 CD2 LEU A 17 4.942 -0.501 -12.274 1.00 0.00 C ATOM 0 H LEU A 17 7.367 -2.091 -12.075 1.00 0.00 H new ATOM 0 HA LEU A 17 7.380 0.828 -12.187 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.115 -0.846 -9.698 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.536 0.782 -9.991 1.00 0.00 H new ATOM 0 HG LEU A 17 5.315 -1.831 -10.651 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.247 -0.536 -10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.442 -0.366 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.220 0.948 -10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.955 -0.909 -12.491 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.941 0.572 -12.468 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.683 -0.985 -12.911 1.00 0.00 H new ATOM 273 N ASP A 18 9.935 -0.783 -11.423 1.00 0.00 N ATOM 274 CA ASP A 18 11.322 -0.715 -10.987 1.00 0.00 C ATOM 275 C ASP A 18 12.065 0.396 -11.727 1.00 0.00 C ATOM 276 O ASP A 18 12.549 0.210 -12.845 1.00 0.00 O ATOM 277 CB ASP A 18 12.018 -2.066 -11.177 1.00 0.00 C ATOM 278 CG ASP A 18 13.512 -1.932 -11.409 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.219 -1.495 -10.477 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.971 -2.264 -12.521 1.00 0.00 O ATOM 0 H ASP A 18 9.713 -1.590 -12.005 1.00 0.00 H new ATOM 0 HA ASP A 18 11.336 -0.479 -9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.846 -2.685 -10.296 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.569 -2.585 -12.024 1.00 0.00 H new ATOM 285 N ASN A 19 12.139 1.552 -11.079 1.00 0.00 N ATOM 286 CA ASN A 19 12.812 2.729 -11.624 1.00 0.00 C ATOM 287 C ASN A 19 12.127 3.226 -12.879 1.00 0.00 C ATOM 288 O ASN A 19 12.769 3.755 -13.787 1.00 0.00 O ATOM 289 CB ASN A 19 14.288 2.434 -11.900 1.00 0.00 C ATOM 290 CG ASN A 19 15.159 3.668 -11.769 1.00 0.00 C ATOM 291 OD1 ASN A 19 14.697 4.792 -11.962 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.429 3.463 -11.438 1.00 0.00 N ATOM 0 H ASN A 19 11.732 1.702 -10.156 1.00 0.00 H new ATOM 0 HA ASN A 19 12.751 3.518 -10.874 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.639 1.670 -11.206 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.392 2.024 -12.905 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.063 4.255 -11.335 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.770 2.514 -11.287 1.00 0.00 H new ATOM 299 N TYR A 20 10.814 3.088 -12.904 1.00 0.00 N ATOM 300 CA TYR A 20 10.038 3.561 -14.032 1.00 0.00 C ATOM 301 C TYR A 20 10.129 5.071 -14.042 1.00 0.00 C ATOM 302 O TYR A 20 10.662 5.643 -13.092 1.00 0.00 O ATOM 303 CB TYR A 20 8.580 3.109 -13.912 1.00 0.00 C ATOM 304 CG TYR A 20 7.740 3.413 -15.132 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.957 2.748 -16.333 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.729 4.364 -15.083 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.192 3.024 -17.449 1.00 0.00 C ATOM 308 CE2 TYR A 20 5.959 4.646 -16.195 1.00 0.00 C ATOM 309 CZ TYR A 20 6.193 3.973 -17.375 1.00 0.00 C ATOM 310 OH TYR A 20 5.429 4.251 -18.485 1.00 0.00 O ATOM 0 H TYR A 20 10.267 2.655 -12.160 1.00 0.00 H new ATOM 0 HA TYR A 20 10.428 3.149 -14.963 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.557 2.035 -13.726 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.131 3.592 -13.044 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.737 2.003 -16.394 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.541 4.892 -14.160 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.375 2.500 -18.375 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.178 5.390 -16.140 1.00 0.00 H new ATOM 0 HH TYR A 20 4.770 4.942 -18.264 1.00 0.00 H new ATOM 320 N ARG A 21 9.645 5.714 -15.105 1.00 0.00 N ATOM 321 CA ARG A 21 9.699 7.170 -15.206 1.00 0.00 C ATOM 322 C ARG A 21 9.730 7.791 -13.813 1.00 0.00 C ATOM 323 O ARG A 21 10.443 8.763 -13.562 1.00 0.00 O ATOM 324 CB ARG A 21 8.495 7.696 -15.990 1.00 0.00 C ATOM 325 CG ARG A 21 8.854 8.245 -17.360 1.00 0.00 C ATOM 326 CD ARG A 21 8.991 9.758 -17.336 1.00 0.00 C ATOM 327 NE ARG A 21 7.735 10.427 -17.665 1.00 0.00 N ATOM 328 CZ ARG A 21 7.432 10.871 -18.881 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.291 10.718 -19.881 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.269 11.470 -19.099 1.00 0.00 N ATOM 0 H ARG A 21 9.213 5.251 -15.904 1.00 0.00 H new ATOM 0 HA ARG A 21 10.609 7.449 -15.738 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.770 6.891 -16.109 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.009 8.480 -15.410 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.790 7.799 -17.698 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.087 7.960 -18.080 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.323 10.076 -16.348 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.761 10.063 -18.045 1.00 0.00 H new ATOM 0 HE ARG A 21 7.052 10.561 -16.920 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.187 10.259 -19.718 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.055 11.060 -20.813 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.606 11.590 -18.333 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.038 11.810 -20.032 1.00 0.00 H new ATOM 344 N GLY A 22 8.950 7.198 -12.912 1.00 0.00 N ATOM 345 CA GLY A 22 8.885 7.668 -11.547 1.00 0.00 C ATOM 346 C GLY A 22 10.062 7.200 -10.711 1.00 0.00 C ATOM 347 O GLY A 22 11.149 7.772 -10.793 1.00 0.00 O ATOM 0 H GLY A 22 8.358 6.392 -13.111 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.852 8.757 -11.543 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.959 7.319 -11.090 1.00 0.00 H new ATOM 351 N TYR A 23 9.839 6.184 -9.877 1.00 0.00 N ATOM 352 CA TYR A 23 10.904 5.695 -9.004 1.00 0.00 C ATOM 353 C TYR A 23 11.127 4.192 -9.082 1.00 0.00 C ATOM 354 O TYR A 23 10.468 3.480 -9.838 1.00 0.00 O ATOM 355 CB TYR A 23 10.623 6.104 -7.557 1.00 0.00 C ATOM 356 CG TYR A 23 10.975 7.543 -7.258 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.260 8.586 -7.832 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.022 7.860 -6.402 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.577 9.903 -7.564 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.345 9.175 -6.127 1.00 0.00 C ATOM 361 CZ TYR A 23 11.620 10.193 -6.710 1.00 0.00 C ATOM 362 OH TYR A 23 11.940 11.503 -6.439 1.00 0.00 O ATOM 0 H TYR A 23 8.950 5.693 -9.788 1.00 0.00 H new ATOM 0 HA TYR A 23 11.824 6.158 -9.361 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.567 5.944 -7.341 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.187 5.454 -6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.441 8.363 -8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.593 7.066 -5.944 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.011 10.701 -8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.162 9.405 -5.458 1.00 0.00 H new ATOM 0 HH TYR A 23 12.698 11.533 -5.818 1.00 0.00 H new ATOM 372 N SER A 24 12.102 3.736 -8.292 1.00 0.00 N ATOM 373 CA SER A 24 12.487 2.334 -8.244 1.00 0.00 C ATOM 374 C SER A 24 11.608 1.525 -7.302 1.00 0.00 C ATOM 375 O SER A 24 10.871 2.074 -6.484 1.00 0.00 O ATOM 376 CB SER A 24 13.951 2.207 -7.816 1.00 0.00 C ATOM 377 OG SER A 24 14.116 2.563 -6.455 1.00 0.00 O ATOM 0 H SER A 24 12.644 4.334 -7.669 1.00 0.00 H new ATOM 0 HA SER A 24 12.355 1.929 -9.247 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.291 1.183 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.573 2.848 -8.441 1.00 0.00 H new ATOM 0 HG SER A 24 13.406 3.184 -6.191 1.00 0.00 H new ATOM 383 N LEU A 25 11.709 0.209 -7.442 1.00 0.00 N ATOM 384 CA LEU A 25 10.952 -0.736 -6.635 1.00 0.00 C ATOM 385 C LEU A 25 10.873 -0.308 -5.170 1.00 0.00 C ATOM 386 O LEU A 25 9.784 -0.187 -4.614 1.00 0.00 O ATOM 387 CB LEU A 25 11.604 -2.113 -6.743 1.00 0.00 C ATOM 388 CG LEU A 25 10.879 -3.093 -7.654 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.869 -4.035 -8.320 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.841 -3.873 -6.865 1.00 0.00 C ATOM 0 H LEU A 25 12.324 -0.235 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 25 9.931 -0.768 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.624 -1.989 -7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.671 -2.547 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 25 10.368 -2.531 -8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.332 -4.728 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.577 -3.458 -8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.408 -4.595 -7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.329 -4.571 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.333 -4.427 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.116 -3.182 -6.435 1.00 0.00 H new ATOM 402 N GLY A 26 12.033 -0.104 -4.549 1.00 0.00 N ATOM 403 CA GLY A 26 12.082 0.286 -3.147 1.00 0.00 C ATOM 404 C GLY A 26 11.046 1.331 -2.767 1.00 0.00 C ATOM 405 O GLY A 26 10.475 1.274 -1.678 1.00 0.00 O ATOM 0 H GLY A 26 12.945 -0.202 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.937 -0.599 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.076 0.673 -2.921 1.00 0.00 H new ATOM 409 N ASN A 27 10.806 2.288 -3.657 1.00 0.00 N ATOM 410 CA ASN A 27 9.835 3.347 -3.392 1.00 0.00 C ATOM 411 C ASN A 27 8.406 2.810 -3.439 1.00 0.00 C ATOM 412 O ASN A 27 7.546 3.236 -2.668 1.00 0.00 O ATOM 413 CB ASN A 27 10.002 4.487 -4.396 1.00 0.00 C ATOM 414 CG ASN A 27 11.424 5.012 -4.444 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.248 4.413 -5.295 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.777 5.946 -3.723 1.00 0.00 N flip ATOM 0 H ASN A 27 11.267 2.354 -4.564 1.00 0.00 H new ATOM 0 HA ASN A 27 10.022 3.729 -2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.712 4.139 -5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.326 5.301 -4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.110 6.377 -3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.737 6.289 -3.766 1.00 0.00 H new ATOM 423 N TRP A 28 8.165 1.867 -4.343 1.00 0.00 N ATOM 424 CA TRP A 28 6.848 1.257 -4.493 1.00 0.00 C ATOM 425 C TRP A 28 6.505 0.386 -3.298 1.00 0.00 C ATOM 426 O TRP A 28 5.400 0.463 -2.763 1.00 0.00 O ATOM 427 CB TRP A 28 6.802 0.437 -5.771 1.00 0.00 C ATOM 428 CG TRP A 28 6.988 1.288 -6.974 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.140 1.470 -7.668 1.00 0.00 C ATOM 430 CD2 TRP A 28 5.996 2.096 -7.607 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.935 2.356 -8.693 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.621 2.752 -8.682 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.639 2.329 -7.368 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.937 3.628 -9.520 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.954 3.194 -8.196 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.604 3.837 -9.264 1.00 0.00 C ATOM 0 H TRP A 28 8.869 1.506 -4.987 1.00 0.00 H new ATOM 0 HA TRP A 28 6.107 2.054 -4.549 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.579 -0.327 -5.742 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.846 -0.082 -5.836 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.080 0.987 -7.445 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.644 2.670 -9.356 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.135 1.840 -6.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.435 4.124 -10.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.904 3.380 -8.021 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.043 4.509 -9.896 1.00 0.00 H new ATOM 447 N VAL A 29 7.454 -0.440 -2.878 1.00 0.00 N ATOM 448 CA VAL A 29 7.244 -1.318 -1.740 1.00 0.00 C ATOM 449 C VAL A 29 7.073 -0.508 -0.469 1.00 0.00 C ATOM 450 O VAL A 29 6.147 -0.733 0.303 1.00 0.00 O ATOM 451 CB VAL A 29 8.425 -2.292 -1.570 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.201 -3.219 -0.385 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.645 -3.085 -2.851 1.00 0.00 C ATOM 0 H VAL A 29 8.375 -0.519 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 29 6.337 -1.893 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 29 9.324 -1.710 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.049 -3.896 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.102 -2.628 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.291 -3.798 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.483 -3.769 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.746 -3.654 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.864 -2.400 -3.670 1.00 0.00 H new ATOM 463 N CYS A 30 7.976 0.432 -0.260 1.00 0.00 N ATOM 464 CA CYS A 30 7.938 1.285 0.915 1.00 0.00 C ATOM 465 C CYS A 30 6.604 2.026 1.017 1.00 0.00 C ATOM 466 O CYS A 30 5.961 2.031 2.070 1.00 0.00 O ATOM 467 CB CYS A 30 9.089 2.286 0.844 1.00 0.00 C ATOM 468 SG CYS A 30 9.655 2.898 2.457 1.00 0.00 S ATOM 0 H CYS A 30 8.751 0.626 -0.894 1.00 0.00 H new ATOM 0 HA CYS A 30 8.042 0.662 1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.930 1.818 0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.778 3.136 0.236 1.00 0.00 H new ATOM 473 N ALA A 31 6.200 2.656 -0.085 1.00 0.00 N ATOM 474 CA ALA A 31 4.954 3.413 -0.126 1.00 0.00 C ATOM 475 C ALA A 31 3.736 2.518 0.062 1.00 0.00 C ATOM 476 O ALA A 31 2.834 2.844 0.830 1.00 0.00 O ATOM 477 CB ALA A 31 4.848 4.174 -1.439 1.00 0.00 C ATOM 0 H ALA A 31 6.720 2.656 -0.962 1.00 0.00 H new ATOM 0 HA ALA A 31 4.972 4.120 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.914 4.736 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.688 4.863 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.866 3.469 -2.270 1.00 0.00 H new ATOM 483 N ALA A 32 3.710 1.394 -0.647 1.00 0.00 N ATOM 484 CA ALA A 32 2.591 0.460 -0.562 1.00 0.00 C ATOM 485 C ALA A 32 2.520 -0.215 0.804 1.00 0.00 C ATOM 486 O ALA A 32 1.467 -0.232 1.441 1.00 0.00 O ATOM 487 CB ALA A 32 2.697 -0.587 -1.661 1.00 0.00 C ATOM 0 H ALA A 32 4.451 1.107 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 32 1.672 1.031 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.857 -1.278 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.679 -0.096 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.631 -1.138 -1.550 1.00 0.00 H new ATOM 493 N LYS A 33 3.643 -0.779 1.239 1.00 0.00 N ATOM 494 CA LYS A 33 3.719 -1.469 2.521 1.00 0.00 C ATOM 495 C LYS A 33 3.071 -0.660 3.631 1.00 0.00 C ATOM 496 O LYS A 33 2.181 -1.143 4.325 1.00 0.00 O ATOM 497 CB LYS A 33 5.178 -1.751 2.885 1.00 0.00 C ATOM 498 CG LYS A 33 5.350 -2.455 4.221 1.00 0.00 C ATOM 499 CD LYS A 33 6.703 -2.149 4.842 1.00 0.00 C ATOM 500 CE LYS A 33 6.737 -2.524 6.315 1.00 0.00 C ATOM 501 NZ LYS A 33 7.012 -3.973 6.514 1.00 0.00 N ATOM 0 H LYS A 33 4.519 -0.771 0.717 1.00 0.00 H new ATOM 0 HA LYS A 33 3.176 -2.409 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.627 -2.362 2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.726 -0.809 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.557 -2.144 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.247 -3.531 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.481 -2.695 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.924 -1.088 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.503 -1.937 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.783 -2.269 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.027 -4.187 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.268 -4.534 6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.934 -4.212 6.097 1.00 0.00 H new ATOM 515 N PHE A 34 3.536 0.566 3.814 1.00 0.00 N ATOM 516 CA PHE A 34 3.002 1.415 4.866 1.00 0.00 C ATOM 517 C PHE A 34 1.638 1.985 4.512 1.00 0.00 C ATOM 518 O PHE A 34 0.900 2.433 5.388 1.00 0.00 O ATOM 519 CB PHE A 34 3.973 2.531 5.195 1.00 0.00 C ATOM 520 CG PHE A 34 4.942 2.188 6.290 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.493 1.940 7.578 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.301 2.114 6.032 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.382 1.624 8.588 1.00 0.00 C ATOM 524 CE2 PHE A 34 7.195 1.797 7.038 1.00 0.00 C ATOM 525 CZ PHE A 34 6.735 1.553 8.317 1.00 0.00 C ATOM 0 H PHE A 34 4.274 0.992 3.254 1.00 0.00 H new ATOM 0 HA PHE A 34 2.870 0.787 5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.532 2.790 4.296 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.409 3.417 5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.436 1.994 7.795 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.666 2.306 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.020 1.433 9.587 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.252 1.740 6.824 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.432 1.307 9.104 1.00 0.00 H new ATOM 535 N GLU A 35 1.305 1.976 3.231 1.00 0.00 N ATOM 536 CA GLU A 35 0.031 2.502 2.771 1.00 0.00 C ATOM 537 C GLU A 35 -1.144 1.659 3.252 1.00 0.00 C ATOM 538 O GLU A 35 -2.089 2.173 3.851 1.00 0.00 O ATOM 539 CB GLU A 35 0.023 2.536 1.245 1.00 0.00 C ATOM 540 CG GLU A 35 -0.124 3.931 0.663 1.00 0.00 C ATOM 541 CD GLU A 35 0.321 4.000 -0.782 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.496 3.678 -1.669 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.489 4.369 -1.028 1.00 0.00 O ATOM 0 H GLU A 35 1.902 1.609 2.490 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.082 3.505 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.949 2.095 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.794 1.913 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.165 4.245 0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.463 4.633 1.255 1.00 0.00 H new ATOM 550 N SER A 36 -1.099 0.374 2.931 1.00 0.00 N ATOM 551 CA SER A 36 -2.188 -0.538 3.273 1.00 0.00 C ATOM 552 C SER A 36 -1.681 -1.819 3.923 1.00 0.00 C ATOM 553 O SER A 36 -2.419 -2.800 4.016 1.00 0.00 O ATOM 554 CB SER A 36 -2.959 -0.892 1.997 1.00 0.00 C ATOM 555 OG SER A 36 -2.065 -1.187 0.939 1.00 0.00 O ATOM 0 H SER A 36 -0.322 -0.063 2.435 1.00 0.00 H new ATOM 0 HA SER A 36 -2.834 -0.035 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.606 -1.749 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.605 -0.061 1.713 1.00 0.00 H new ATOM 0 HG SER A 36 -1.882 -0.371 0.428 1.00 0.00 H new ATOM 561 N ASN A 37 -0.425 -1.823 4.349 1.00 0.00 N ATOM 562 CA ASN A 37 0.154 -3.015 4.955 1.00 0.00 C ATOM 563 C ASN A 37 0.079 -4.160 3.953 1.00 0.00 C ATOM 564 O ASN A 37 0.003 -5.326 4.325 1.00 0.00 O ATOM 565 CB ASN A 37 -0.583 -3.384 6.245 1.00 0.00 C ATOM 566 CG ASN A 37 0.000 -2.693 7.462 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.639 -1.833 8.068 1.00 0.00 O ATOM 568 ND2 ASN A 37 1.222 -3.066 7.824 1.00 0.00 N ATOM 0 H ASN A 37 0.206 -1.024 4.288 1.00 0.00 H new ATOM 0 HA ASN A 37 1.195 -2.819 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.635 -3.117 6.148 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.540 -4.464 6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.668 -2.635 8.634 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.715 -3.783 7.292 1.00 0.00 H new ATOM 575 N PHE A 38 0.112 -3.781 2.676 1.00 0.00 N ATOM 576 CA PHE A 38 0.059 -4.697 1.547 1.00 0.00 C ATOM 577 C PHE A 38 -1.332 -5.287 1.366 1.00 0.00 C ATOM 578 O PHE A 38 -1.496 -6.328 0.740 1.00 0.00 O ATOM 579 CB PHE A 38 1.123 -5.789 1.673 1.00 0.00 C ATOM 580 CG PHE A 38 2.504 -5.285 1.368 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.749 -4.571 0.205 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.552 -5.508 2.245 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.011 -4.093 -0.081 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.818 -5.031 1.965 1.00 0.00 C ATOM 585 CZ PHE A 38 5.048 -4.323 0.801 1.00 0.00 C ATOM 0 H PHE A 38 0.178 -2.803 2.395 1.00 0.00 H new ATOM 0 HA PHE A 38 0.281 -4.123 0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.103 -6.196 2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.881 -6.608 0.995 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.940 -4.386 -0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.378 -6.060 3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.187 -3.541 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.628 -5.212 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.037 -3.950 0.581 1.00 0.00 H new ATOM 595 N ASN A 39 -2.341 -4.593 1.883 1.00 0.00 N ATOM 596 CA ASN A 39 -3.718 -5.045 1.743 1.00 0.00 C ATOM 597 C ASN A 39 -4.269 -4.618 0.391 1.00 0.00 C ATOM 598 O ASN A 39 -4.503 -3.435 0.147 1.00 0.00 O ATOM 599 CB ASN A 39 -4.585 -4.488 2.873 1.00 0.00 C ATOM 600 CG ASN A 39 -5.815 -5.335 3.134 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.567 -5.630 2.079 1.00 0.00 O flip ATOM 602 ND2 ASN A 39 -6.088 -5.720 4.270 1.00 0.00 N flip ATOM 0 H ASN A 39 -2.231 -3.720 2.400 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.737 -6.133 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.991 -4.425 3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.893 -3.473 2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.483 -5.470 5.052 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.919 -6.289 4.430 1.00 0.00 H new ATOM 609 N THR A 40 -4.447 -5.589 -0.492 1.00 0.00 N ATOM 610 CA THR A 40 -4.941 -5.327 -1.834 1.00 0.00 C ATOM 611 C THR A 40 -6.423 -5.020 -1.792 1.00 0.00 C ATOM 612 O THR A 40 -6.960 -4.321 -2.652 1.00 0.00 O ATOM 613 CB THR A 40 -4.694 -6.536 -2.755 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.827 -7.413 -2.731 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.455 -7.300 -2.317 1.00 0.00 C ATOM 0 H THR A 40 -4.255 -6.572 -0.300 1.00 0.00 H new ATOM 0 HA THR A 40 -4.401 -4.467 -2.232 1.00 0.00 H new ATOM 0 HB THR A 40 -4.541 -6.166 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.801 -7.958 -1.917 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.298 -8.150 -2.981 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.587 -6.642 -2.360 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.590 -7.657 -1.296 1.00 0.00 H new ATOM 623 N GLN A 41 -7.071 -5.556 -0.774 1.00 0.00 N ATOM 624 CA GLN A 41 -8.492 -5.369 -0.571 1.00 0.00 C ATOM 625 C GLN A 41 -8.758 -4.195 0.369 1.00 0.00 C ATOM 626 O GLN A 41 -9.893 -3.963 0.785 1.00 0.00 O ATOM 627 CB GLN A 41 -9.081 -6.651 0.008 1.00 0.00 C ATOM 628 CG GLN A 41 -9.600 -7.616 -1.044 1.00 0.00 C ATOM 629 CD GLN A 41 -11.110 -7.755 -1.014 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.678 -8.273 -0.053 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.768 -7.291 -2.071 1.00 0.00 N ATOM 0 H GLN A 41 -6.623 -6.135 -0.064 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.963 -5.144 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.319 -7.153 0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.896 -6.393 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.290 -7.273 -2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.146 -8.595 -0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.256 -6.869 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.785 -7.357 -2.108 1.00 0.00 H new ATOM 640 N ALA A 42 -7.697 -3.470 0.709 1.00 0.00 N ATOM 641 CA ALA A 42 -7.797 -2.330 1.614 1.00 0.00 C ATOM 642 C ALA A 42 -8.612 -1.187 1.020 1.00 0.00 C ATOM 643 O ALA A 42 -8.320 -0.695 -0.070 1.00 0.00 O ATOM 644 CB ALA A 42 -6.411 -1.835 1.990 1.00 0.00 C ATOM 0 H ALA A 42 -6.753 -3.653 0.369 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.319 -2.675 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.499 -0.984 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.861 -2.635 2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.877 -1.530 1.090 1.00 0.00 H new ATOM 650 N THR A 43 -9.620 -0.757 1.769 1.00 0.00 N ATOM 651 CA THR A 43 -10.484 0.346 1.368 1.00 0.00 C ATOM 652 C THR A 43 -10.694 1.270 2.567 1.00 0.00 C ATOM 653 O THR A 43 -11.149 0.822 3.620 1.00 0.00 O ATOM 654 CB THR A 43 -11.853 -0.156 0.869 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.633 -0.633 1.972 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.681 -1.270 -0.154 1.00 0.00 C ATOM 0 H THR A 43 -9.862 -1.164 2.673 1.00 0.00 H new ATOM 0 HA THR A 43 -10.002 0.878 0.548 1.00 0.00 H new ATOM 0 HB THR A 43 -12.369 0.678 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.150 -0.469 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.661 -1.608 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.112 -0.897 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.147 -2.103 0.302 1.00 0.00 H new ATOM 664 N ASN A 44 -10.352 2.547 2.425 1.00 0.00 N ATOM 665 CA ASN A 44 -10.503 3.492 3.531 1.00 0.00 C ATOM 666 C ASN A 44 -11.069 4.826 3.057 1.00 0.00 C ATOM 667 O ASN A 44 -10.456 5.522 2.249 1.00 0.00 O ATOM 668 CB ASN A 44 -9.155 3.717 4.219 1.00 0.00 C ATOM 669 CG ASN A 44 -9.092 3.074 5.591 1.00 0.00 C ATOM 670 OD1 ASN A 44 -8.691 1.919 5.730 1.00 0.00 O ATOM 671 ND2 ASN A 44 -9.490 3.823 6.613 1.00 0.00 N ATOM 0 H ASN A 44 -9.973 2.949 1.568 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.208 3.060 4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.359 3.312 3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.973 4.787 4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.471 3.445 7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.815 4.776 6.451 1.00 0.00 H new ATOM 678 N ARG A 45 -12.241 5.176 3.578 1.00 0.00 N ATOM 679 CA ARG A 45 -12.896 6.429 3.219 1.00 0.00 C ATOM 680 C ARG A 45 -12.275 7.604 3.970 1.00 0.00 C ATOM 681 O ARG A 45 -11.861 7.470 5.121 1.00 0.00 O ATOM 682 CB ARG A 45 -14.393 6.351 3.521 1.00 0.00 C ATOM 683 CG ARG A 45 -15.211 7.431 2.830 1.00 0.00 C ATOM 684 CD ARG A 45 -16.313 7.958 3.734 1.00 0.00 C ATOM 685 NE ARG A 45 -15.784 8.758 4.835 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.435 9.778 5.385 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.636 10.121 4.940 1.00 0.00 N ATOM 688 NH2 ARG A 45 -15.884 10.456 6.383 1.00 0.00 N ATOM 0 H ARG A 45 -12.757 4.609 4.251 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.755 6.589 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.766 5.373 3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.542 6.427 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.557 8.252 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.649 7.029 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.005 8.562 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.883 7.121 4.136 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.863 8.521 5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.063 9.602 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.133 10.904 5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.961 10.195 6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.384 11.239 6.805 1.00 0.00 H new ATOM 702 N ASN A 46 -12.213 8.754 3.307 1.00 0.00 N ATOM 703 CA ASN A 46 -11.643 9.955 3.907 1.00 0.00 C ATOM 704 C ASN A 46 -12.727 10.979 4.220 1.00 0.00 C ATOM 705 O ASN A 46 -13.905 10.761 3.938 1.00 0.00 O ATOM 706 CB ASN A 46 -10.600 10.573 2.975 1.00 0.00 C ATOM 707 CG ASN A 46 -9.713 9.529 2.325 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.660 9.419 1.101 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.010 8.756 3.145 1.00 0.00 N ATOM 0 H ASN A 46 -12.551 8.880 2.353 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.162 9.665 4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.106 11.149 2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.981 11.271 3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.395 8.036 2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.085 8.882 4.154 1.00 0.00 H new ATOM 716 N THR A 47 -12.314 12.095 4.808 1.00 0.00 N ATOM 717 CA THR A 47 -13.242 13.161 5.168 1.00 0.00 C ATOM 718 C THR A 47 -13.530 14.069 3.978 1.00 0.00 C ATOM 719 O THR A 47 -14.603 14.669 3.888 1.00 0.00 O ATOM 720 CB THR A 47 -12.693 14.014 6.327 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.448 14.615 5.946 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.492 13.168 7.575 1.00 0.00 C ATOM 0 H THR A 47 -11.341 12.286 5.046 1.00 0.00 H new ATOM 0 HA THR A 47 -14.167 12.679 5.485 1.00 0.00 H new ATOM 0 HB THR A 47 -13.420 14.794 6.550 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.106 15.157 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.104 13.793 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.445 12.736 7.879 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.783 12.368 7.362 1.00 0.00 H new ATOM 730 N ASP A 48 -12.568 14.169 3.066 1.00 0.00 N ATOM 731 CA ASP A 48 -12.721 15.007 1.881 1.00 0.00 C ATOM 732 C ASP A 48 -13.761 14.422 0.929 1.00 0.00 C ATOM 733 O ASP A 48 -14.208 15.090 -0.003 1.00 0.00 O ATOM 734 CB ASP A 48 -11.381 15.163 1.162 1.00 0.00 C ATOM 735 CG ASP A 48 -10.690 13.835 0.925 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.356 12.787 1.053 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.481 13.842 0.612 1.00 0.00 O ATOM 0 H ASP A 48 -11.674 13.681 3.124 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.066 15.989 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.542 15.661 0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.729 15.808 1.752 1.00 0.00 H new ATOM 742 N GLY A 49 -14.146 13.173 1.177 1.00 0.00 N ATOM 743 CA GLY A 49 -15.135 12.522 0.337 1.00 0.00 C ATOM 744 C GLY A 49 -14.557 11.387 -0.486 1.00 0.00 C ATOM 745 O GLY A 49 -15.267 10.443 -0.833 1.00 0.00 O ATOM 0 H GLY A 49 -13.791 12.601 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.939 12.136 0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.578 13.260 -0.332 1.00 0.00 H new ATOM 749 N SER A 50 -13.267 11.475 -0.800 1.00 0.00 N ATOM 750 CA SER A 50 -12.606 10.440 -1.590 1.00 0.00 C ATOM 751 C SER A 50 -12.372 9.185 -0.758 1.00 0.00 C ATOM 752 O SER A 50 -12.827 9.087 0.381 1.00 0.00 O ATOM 753 CB SER A 50 -11.279 10.954 -2.152 1.00 0.00 C ATOM 754 OG SER A 50 -10.703 11.928 -1.301 1.00 0.00 O ATOM 0 H SER A 50 -12.662 12.247 -0.522 1.00 0.00 H new ATOM 0 HA SER A 50 -13.263 10.184 -2.422 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.587 10.121 -2.276 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.442 11.383 -3.141 1.00 0.00 H new ATOM 0 HG SER A 50 -10.941 11.731 -0.371 1.00 0.00 H new ATOM 760 N THR A 51 -11.659 8.225 -1.340 1.00 0.00 N ATOM 761 CA THR A 51 -11.359 6.968 -0.665 1.00 0.00 C ATOM 762 C THR A 51 -10.170 6.273 -1.321 1.00 0.00 C ATOM 763 O THR A 51 -9.880 6.507 -2.493 1.00 0.00 O ATOM 764 CB THR A 51 -12.576 6.022 -0.692 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.730 6.688 -0.167 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.308 4.760 0.115 1.00 0.00 C ATOM 0 H THR A 51 -11.277 8.295 -2.283 1.00 0.00 H new ATOM 0 HA THR A 51 -11.114 7.203 0.371 1.00 0.00 H new ATOM 0 HB THR A 51 -12.757 5.739 -1.729 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.447 7.438 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.183 4.112 0.078 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.450 4.235 -0.305 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.098 5.028 1.151 1.00 0.00 H new ATOM 774 N ASP A 52 -9.490 5.413 -0.570 1.00 0.00 N ATOM 775 CA ASP A 52 -8.342 4.679 -1.090 1.00 0.00 C ATOM 776 C ASP A 52 -8.696 3.214 -1.270 1.00 0.00 C ATOM 777 O ASP A 52 -8.721 2.448 -0.307 1.00 0.00 O ATOM 778 CB ASP A 52 -7.149 4.819 -0.143 1.00 0.00 C ATOM 779 CG ASP A 52 -6.673 6.253 -0.021 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.460 6.900 -1.068 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.514 6.730 1.123 1.00 0.00 O ATOM 0 H ASP A 52 -9.715 5.207 0.403 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.070 5.098 -2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.426 4.446 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.329 4.196 -0.501 1.00 0.00 H new ATOM 786 N TYR A 53 -8.985 2.832 -2.506 1.00 0.00 N ATOM 787 CA TYR A 53 -9.355 1.460 -2.799 1.00 0.00 C ATOM 788 C TYR A 53 -8.203 0.669 -3.408 1.00 0.00 C ATOM 789 O TYR A 53 -8.156 0.450 -4.617 1.00 0.00 O ATOM 790 CB TYR A 53 -10.558 1.405 -3.739 1.00 0.00 C ATOM 791 CG TYR A 53 -11.810 2.058 -3.196 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.558 1.445 -2.199 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.251 3.277 -3.691 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.711 2.030 -1.711 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.400 3.871 -3.206 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.127 3.242 -2.218 1.00 0.00 C ATOM 797 OH TYR A 53 -15.275 3.829 -1.735 1.00 0.00 O ATOM 0 H TYR A 53 -8.970 3.451 -3.316 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.617 1.002 -1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.291 1.887 -4.679 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.777 0.362 -3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.233 0.496 -1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.686 3.770 -4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.283 1.540 -0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.727 4.823 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.427 4.680 -2.197 1.00 0.00 H new ATOM 807 N GLY A 54 -7.272 0.247 -2.568 1.00 0.00 N ATOM 808 CA GLY A 54 -6.156 -0.535 -3.079 1.00 0.00 C ATOM 809 C GLY A 54 -4.920 -0.552 -2.210 1.00 0.00 C ATOM 810 O GLY A 54 -4.795 0.214 -1.253 1.00 0.00 O ATOM 0 H GLY A 54 -7.262 0.424 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.491 -1.562 -3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.883 -0.148 -4.061 1.00 0.00 H new ATOM 814 N ILE A 55 -3.985 -1.423 -2.592 1.00 0.00 N ATOM 815 CA ILE A 55 -2.714 -1.551 -1.902 1.00 0.00 C ATOM 816 C ILE A 55 -1.892 -0.300 -2.165 1.00 0.00 C ATOM 817 O ILE A 55 -0.986 0.047 -1.407 1.00 0.00 O ATOM 818 CB ILE A 55 -1.926 -2.787 -2.392 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.714 -3.042 -1.496 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.487 -2.588 -3.836 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.024 -4.318 -1.833 1.00 0.00 C ATOM 0 H ILE A 55 -4.093 -2.054 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.907 -1.674 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.578 -3.659 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.026 -2.200 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.042 -3.084 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.933 -3.464 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.365 -2.450 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.849 -1.707 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.872 -4.437 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.649 -5.168 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.382 -4.271 -2.861 1.00 0.00 H new ATOM 833 N LEU A 56 -2.254 0.390 -3.247 1.00 0.00 N ATOM 834 CA LEU A 56 -1.603 1.629 -3.633 1.00 0.00 C ATOM 835 C LEU A 56 -2.588 2.781 -3.467 1.00 0.00 C ATOM 836 O LEU A 56 -2.283 3.929 -3.794 1.00 0.00 O ATOM 837 CB LEU A 56 -1.097 1.565 -5.084 1.00 0.00 C ATOM 838 CG LEU A 56 0.410 1.817 -5.273 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.890 2.946 -4.373 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.196 0.545 -4.995 1.00 0.00 C ATOM 0 H LEU A 56 -3.005 0.102 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.737 1.787 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.337 0.583 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.647 2.298 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 56 0.579 2.115 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.958 3.104 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.349 3.861 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.707 2.683 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.260 0.737 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.015 0.222 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.877 -0.238 -5.683 1.00 0.00 H new ATOM 852 N GLN A 57 -3.772 2.455 -2.934 1.00 0.00 N ATOM 853 CA GLN A 57 -4.824 3.439 -2.685 1.00 0.00 C ATOM 854 C GLN A 57 -5.428 3.988 -3.975 1.00 0.00 C ATOM 855 O GLN A 57 -5.160 5.130 -4.348 1.00 0.00 O ATOM 856 CB GLN A 57 -4.279 4.592 -1.838 1.00 0.00 C ATOM 857 CG GLN A 57 -3.662 4.143 -0.523 1.00 0.00 C ATOM 858 CD GLN A 57 -3.378 5.300 0.414 1.00 0.00 C ATOM 859 OE1 GLN A 57 -3.929 5.374 1.512 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.514 6.212 -0.016 1.00 0.00 N ATOM 0 H GLN A 57 -4.024 1.504 -2.665 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.619 2.925 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.529 5.133 -2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.088 5.293 -1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.335 3.440 -0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.734 3.608 -0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.080 6.111 -0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.284 7.013 0.571 1.00 0.00 H new ATOM 869 N ILE A 58 -6.251 3.187 -4.661 1.00 0.00 N ATOM 870 CA ILE A 58 -6.868 3.643 -5.891 1.00 0.00 C ATOM 871 C ILE A 58 -8.092 4.478 -5.570 1.00 0.00 C ATOM 872 O ILE A 58 -9.155 3.943 -5.256 1.00 0.00 O ATOM 873 CB ILE A 58 -7.271 2.465 -6.800 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.170 1.398 -6.816 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.559 2.958 -8.209 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.783 1.952 -7.074 1.00 0.00 C ATOM 0 H ILE A 58 -6.496 2.237 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.135 4.245 -6.428 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.179 2.014 -6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.170 0.875 -5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.404 0.659 -7.583 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.842 2.115 -8.839 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.375 3.681 -8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.667 3.433 -8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.059 1.137 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.764 2.449 -8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.526 2.669 -6.294 1.00 0.00 H new ATOM 888 N ASN A 59 -7.940 5.793 -5.646 1.00 0.00 N ATOM 889 CA ASN A 59 -9.037 6.695 -5.357 1.00 0.00 C ATOM 890 C ASN A 59 -10.087 6.613 -6.451 1.00 0.00 C ATOM 891 O ASN A 59 -9.965 7.260 -7.491 1.00 0.00 O ATOM 892 CB ASN A 59 -8.521 8.128 -5.226 1.00 0.00 C ATOM 893 CG ASN A 59 -9.610 9.112 -4.835 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.711 8.602 -4.293 1.00 0.00 O flip ATOM 895 ND2 ASN A 59 -9.460 10.320 -5.015 1.00 0.00 N flip ATOM 0 H ASN A 59 -7.068 6.254 -5.905 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.493 6.399 -4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.727 8.157 -4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.080 8.439 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.599 10.670 -5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.197 10.971 -4.745 1.00 0.00 H new ATOM 902 N SER A 60 -11.120 5.818 -6.212 1.00 0.00 N ATOM 903 CA SER A 60 -12.198 5.656 -7.183 1.00 0.00 C ATOM 904 C SER A 60 -12.962 6.964 -7.398 1.00 0.00 C ATOM 905 O SER A 60 -13.758 7.078 -8.329 1.00 0.00 O ATOM 906 CB SER A 60 -13.164 4.563 -6.725 1.00 0.00 C ATOM 907 OG SER A 60 -14.204 5.103 -5.927 1.00 0.00 O ATOM 0 H SER A 60 -11.237 5.275 -5.356 1.00 0.00 H new ATOM 0 HA SER A 60 -11.746 5.367 -8.132 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.591 4.063 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.621 3.808 -6.157 1.00 0.00 H new ATOM 0 HG SER A 60 -13.831 5.763 -5.306 1.00 0.00 H new ATOM 913 N ARG A 61 -12.721 7.950 -6.538 1.00 0.00 N ATOM 914 CA ARG A 61 -13.395 9.240 -6.654 1.00 0.00 C ATOM 915 C ARG A 61 -12.502 10.249 -7.369 1.00 0.00 C ATOM 916 O ARG A 61 -12.687 11.459 -7.247 1.00 0.00 O ATOM 917 CB ARG A 61 -13.776 9.768 -5.270 1.00 0.00 C ATOM 918 CG ARG A 61 -14.962 10.719 -5.286 1.00 0.00 C ATOM 919 CD ARG A 61 -15.555 10.896 -3.898 1.00 0.00 C ATOM 920 NE ARG A 61 -15.415 12.266 -3.413 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.384 13.174 -3.477 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.560 12.859 -4.006 1.00 0.00 N ATOM 923 NH2 ARG A 61 -16.178 14.399 -3.014 1.00 0.00 N ATOM 0 H ARG A 61 -12.068 7.881 -5.757 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.303 9.100 -7.241 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.006 8.924 -4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.917 10.280 -4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.647 11.688 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.726 10.337 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.611 10.625 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.063 10.214 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.523 12.542 -3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.722 11.918 -4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.301 13.558 -4.054 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.275 14.646 -2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.922 15.095 -3.064 1.00 0.00 H new ATOM 937 N TRP A 62 -11.532 9.733 -8.115 1.00 0.00 N ATOM 938 CA TRP A 62 -10.605 10.585 -8.856 1.00 0.00 C ATOM 939 C TRP A 62 -9.879 9.838 -9.977 1.00 0.00 C ATOM 940 O TRP A 62 -9.236 10.463 -10.819 1.00 0.00 O ATOM 941 CB TRP A 62 -9.580 11.199 -7.902 1.00 0.00 C ATOM 942 CG TRP A 62 -9.363 12.664 -8.125 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.647 13.241 -9.134 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.865 13.738 -7.323 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.673 14.609 -9.008 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.415 14.939 -7.904 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.653 13.803 -6.170 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.726 16.187 -7.371 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -10.962 15.042 -5.641 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.498 16.219 -6.242 1.00 0.00 C ATOM 0 H TRP A 62 -11.366 8.732 -8.224 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.202 11.369 -9.322 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.910 11.040 -6.875 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.630 10.677 -8.016 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.135 12.701 -9.917 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.215 15.271 -9.634 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.014 12.900 -5.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.371 17.097 -7.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.570 15.103 -4.751 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.755 17.172 -5.805 1.00 0.00 H new ATOM 961 N TRP A 63 -9.958 8.508 -9.983 1.00 0.00 N ATOM 962 CA TRP A 63 -9.276 7.722 -11.004 1.00 0.00 C ATOM 963 C TRP A 63 -10.204 6.714 -11.666 1.00 0.00 C ATOM 964 O TRP A 63 -10.585 6.872 -12.825 1.00 0.00 O ATOM 965 CB TRP A 63 -8.078 6.993 -10.385 1.00 0.00 C ATOM 966 CG TRP A 63 -6.987 7.923 -9.954 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.370 7.978 -8.736 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.395 8.942 -10.751 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.419 8.975 -8.738 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.420 9.583 -9.969 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.602 9.369 -12.056 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.652 10.637 -10.460 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.851 10.409 -12.545 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.882 11.038 -11.751 1.00 0.00 C ATOM 0 H TRP A 63 -10.481 7.960 -9.300 1.00 0.00 H new ATOM 0 HA TRP A 63 -8.935 8.412 -11.775 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.416 6.415 -9.525 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.678 6.283 -11.109 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.594 7.336 -7.897 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.814 9.221 -7.954 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.344 8.890 -12.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.905 11.119 -9.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.009 10.748 -13.558 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.306 11.853 -12.164 1.00 0.00 H new ATOM 985 N CYS A 64 -10.533 5.660 -10.936 1.00 0.00 N ATOM 986 CA CYS A 64 -11.387 4.609 -11.474 1.00 0.00 C ATOM 987 C CYS A 64 -12.859 4.864 -11.202 1.00 0.00 C ATOM 988 O CYS A 64 -13.225 5.532 -10.237 1.00 0.00 O ATOM 989 CB CYS A 64 -10.980 3.243 -10.911 1.00 0.00 C ATOM 990 SG CYS A 64 -11.677 2.863 -9.268 1.00 0.00 S ATOM 0 H CYS A 64 -10.225 5.508 -9.976 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.248 4.612 -12.555 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.291 2.468 -11.612 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.893 3.199 -10.849 1.00 0.00 H new ATOM 995 N ASN A 65 -13.695 4.313 -12.073 1.00 0.00 N ATOM 996 CA ASN A 65 -15.141 4.458 -11.952 1.00 0.00 C ATOM 997 C ASN A 65 -15.742 3.280 -11.192 1.00 0.00 C ATOM 998 O ASN A 65 -15.839 2.172 -11.720 1.00 0.00 O ATOM 999 CB ASN A 65 -15.781 4.565 -13.337 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.276 4.814 -13.267 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.071 4.041 -13.797 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.663 5.901 -12.608 1.00 0.00 N ATOM 0 H ASN A 65 -13.395 3.759 -12.875 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.345 5.371 -11.393 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.306 5.374 -13.892 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.594 3.646 -13.892 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.656 6.122 -12.527 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.968 6.515 -12.184 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.139 3.529 -9.949 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.728 2.489 -9.111 1.00 0.00 C ATOM 1011 C ASP A 66 -18.252 2.555 -9.151 1.00 0.00 C ATOM 1012 O ASP A 66 -18.934 1.672 -8.630 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.233 2.624 -7.671 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.731 3.890 -6.999 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.082 4.848 -7.720 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -16.769 3.923 -5.752 1.00 0.00 O ATOM 0 H ASP A 66 -16.064 4.441 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.417 1.521 -9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.561 1.758 -7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.143 2.618 -7.663 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.779 3.603 -9.777 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.218 3.763 -9.880 1.00 0.00 C ATOM 1023 C GLY A 67 -20.859 4.170 -8.567 1.00 0.00 C ATOM 1024 O GLY A 67 -22.056 4.459 -8.518 1.00 0.00 O ATOM 0 H GLY A 67 -18.234 4.345 -10.215 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.442 4.515 -10.637 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.660 2.826 -10.220 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.066 4.192 -7.501 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.567 4.566 -6.184 1.00 0.00 C ATOM 1030 C ARG A 68 -20.417 6.066 -5.953 1.00 0.00 C ATOM 1031 O ARG A 68 -20.630 6.559 -4.846 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.824 3.794 -5.092 1.00 0.00 C ATOM 1033 CG ARG A 68 -19.920 2.284 -5.242 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.787 1.671 -4.155 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.137 0.284 -4.451 1.00 0.00 N ATOM 1036 CZ ARG A 68 -21.580 -0.576 -3.539 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -21.727 -0.194 -2.278 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -21.877 -1.821 -3.889 1.00 0.00 N ATOM 0 H ARG A 68 -19.074 3.955 -7.523 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.626 4.312 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.774 4.086 -5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.224 4.080 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.334 2.040 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -18.921 1.849 -5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.260 1.716 -3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.698 2.259 -4.043 1.00 0.00 H new ATOM 0 HE ARG A 68 -21.036 -0.043 -5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -21.500 0.762 -2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -22.067 -0.856 -1.581 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -21.765 -2.119 -4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -22.217 -2.480 -3.189 1.00 0.00 H new ATOM 1052 N THR A 69 -20.050 6.784 -7.009 1.00 0.00 N ATOM 1053 CA THR A 69 -19.872 8.229 -6.928 1.00 0.00 C ATOM 1054 C THR A 69 -20.245 8.905 -8.245 1.00 0.00 C ATOM 1055 O THR A 69 -19.619 8.660 -9.276 1.00 0.00 O ATOM 1056 CB THR A 69 -18.419 8.596 -6.571 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.874 7.626 -5.669 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.352 9.978 -5.937 1.00 0.00 C ATOM 0 H THR A 69 -19.870 6.388 -7.932 1.00 0.00 H new ATOM 0 HA THR A 69 -20.535 8.585 -6.139 1.00 0.00 H new ATOM 0 HB THR A 69 -17.834 8.604 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.950 7.867 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.317 10.217 -5.693 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.740 10.718 -6.637 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.951 9.990 -5.027 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.276 9.770 -8.229 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.727 10.480 -9.430 1.00 0.00 C ATOM 1068 C PRO A 70 -20.724 11.533 -9.891 1.00 0.00 C ATOM 1069 O PRO A 70 -20.863 12.106 -10.972 1.00 0.00 O ATOM 1070 CB PRO A 70 -23.032 11.145 -8.984 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.889 11.302 -7.510 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.081 10.124 -7.044 1.00 0.00 C ATOM 0 HA PRO A 70 -21.845 9.807 -10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -23.173 12.109 -9.473 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.896 10.530 -9.235 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.390 12.239 -7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.864 11.323 -7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.451 10.381 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.719 9.298 -6.731 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.713 11.779 -9.065 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.699 12.762 -9.403 1.00 0.00 C ATOM 1082 C GLY A 71 -17.398 12.122 -9.844 1.00 0.00 C ATOM 1083 O GLY A 71 -16.372 12.797 -9.949 1.00 0.00 O ATOM 0 H GLY A 71 -19.577 11.315 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.072 13.406 -10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.512 13.399 -8.539 1.00 0.00 H new ATOM 1087 N SER A 72 -17.437 10.819 -10.103 1.00 0.00 N ATOM 1088 CA SER A 72 -16.253 10.086 -10.534 1.00 0.00 C ATOM 1089 C SER A 72 -15.697 10.666 -11.830 1.00 0.00 C ATOM 1090 O SER A 72 -16.406 10.774 -12.830 1.00 0.00 O ATOM 1091 CB SER A 72 -16.587 8.605 -10.727 1.00 0.00 C ATOM 1092 OG SER A 72 -15.416 7.845 -10.970 1.00 0.00 O ATOM 0 H SER A 72 -18.278 10.248 -10.021 1.00 0.00 H new ATOM 0 HA SER A 72 -15.494 10.182 -9.758 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.093 8.225 -9.840 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.278 8.491 -11.562 1.00 0.00 H new ATOM 0 HG SER A 72 -14.968 7.654 -10.120 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.421 11.036 -11.802 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.764 11.606 -12.972 1.00 0.00 C ATOM 1100 C ARG A 73 -13.437 10.523 -13.995 1.00 0.00 C ATOM 1101 O ARG A 73 -13.630 10.714 -15.196 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.484 12.337 -12.559 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.736 13.566 -11.699 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.610 14.846 -12.508 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.425 15.614 -12.136 1.00 0.00 N ATOM 1106 CZ ARG A 73 -11.440 16.616 -11.261 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.574 16.968 -10.671 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -10.319 17.265 -10.975 1.00 0.00 N ATOM 0 H ARG A 73 -13.821 10.951 -10.981 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.450 12.318 -13.431 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.841 11.647 -12.012 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.941 12.636 -13.455 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.733 13.507 -11.261 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.026 13.585 -10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.565 14.601 -13.569 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.500 15.458 -12.360 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.536 15.368 -12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.438 16.470 -10.888 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.583 17.737 -10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.445 16.996 -11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.331 18.033 -10.304 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.933 9.391 -13.509 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.569 8.272 -14.376 1.00 0.00 C ATOM 1124 C ASN A 74 -11.393 8.666 -15.260 1.00 0.00 C ATOM 1125 O ASN A 74 -11.260 8.198 -16.390 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.759 7.844 -15.237 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.727 6.365 -15.576 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.172 5.558 -14.831 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.325 6.004 -16.706 1.00 0.00 N ATOM 0 H ASN A 74 -12.767 9.224 -12.517 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.280 7.427 -13.752 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.686 8.073 -14.711 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.764 8.425 -16.159 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.336 5.023 -16.986 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.773 6.707 -17.293 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.532 9.517 -14.712 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.342 9.978 -15.397 1.00 0.00 C ATOM 1138 C LEU A 75 -8.545 8.810 -15.902 1.00 0.00 C ATOM 1139 O LEU A 75 -8.200 8.694 -17.078 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.498 10.726 -14.388 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.719 12.237 -14.347 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.918 12.870 -13.221 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.358 12.870 -15.683 1.00 0.00 C ATOM 0 H LEU A 75 -10.646 9.905 -13.776 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.622 10.610 -16.240 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.699 10.319 -13.397 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.447 10.534 -14.604 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.777 12.419 -14.156 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.091 13.946 -13.212 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.231 12.444 -12.268 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.857 12.675 -13.375 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.523 13.946 -15.632 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.310 12.674 -15.907 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.983 12.444 -16.468 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.281 7.953 -14.958 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.544 6.747 -15.170 1.00 0.00 C ATOM 1157 C CYS A 76 -8.357 5.797 -16.037 1.00 0.00 C ATOM 1158 O CYS A 76 -7.812 5.032 -16.834 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.280 6.157 -13.807 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.589 5.550 -13.542 1.00 0.00 S ATOM 0 H CYS A 76 -8.583 8.081 -13.992 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.603 6.932 -15.688 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.500 6.913 -13.053 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.974 5.333 -13.645 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.675 5.861 -15.861 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.598 5.018 -16.610 1.00 0.00 C ATOM 1167 C ASN A 77 -10.211 3.559 -16.442 1.00 0.00 C ATOM 1168 O ASN A 77 -10.018 2.835 -17.419 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.593 5.400 -18.091 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.991 5.601 -18.642 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.460 6.731 -18.780 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.666 4.502 -18.959 1.00 0.00 N ATOM 0 H ASN A 77 -10.128 6.493 -15.201 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.605 5.168 -16.222 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.018 6.316 -18.225 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.089 4.621 -18.663 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.612 4.575 -19.333 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.238 3.585 -18.828 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.081 3.143 -15.190 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.695 1.778 -14.883 1.00 0.00 C ATOM 1181 C ILE A 78 -10.777 1.051 -14.092 1.00 0.00 C ATOM 1182 O ILE A 78 -11.529 1.671 -13.342 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.369 1.741 -14.093 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.625 1.516 -12.593 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.603 3.028 -14.331 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.702 2.295 -11.677 1.00 0.00 C ATOM 0 H ILE A 78 -10.238 3.733 -14.373 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.559 1.266 -15.836 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.769 0.903 -14.447 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.656 1.789 -12.368 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.522 0.453 -12.375 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.667 3.003 -13.774 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.389 3.133 -15.395 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.202 3.875 -13.996 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.952 2.078 -10.638 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.669 2.006 -11.870 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.821 3.362 -11.863 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.857 -0.281 -14.228 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.829 -1.085 -13.500 1.00 0.00 C ATOM 1200 C PRO A 79 -11.376 -1.278 -12.058 1.00 0.00 C ATOM 1201 O PRO A 79 -10.357 -1.919 -11.802 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.845 -2.426 -14.251 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.905 -2.269 -15.408 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.002 -1.116 -15.074 1.00 0.00 C ATOM 0 HA PRO A 79 -12.815 -0.623 -13.456 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.528 -3.241 -13.600 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.850 -2.667 -14.596 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.328 -3.180 -15.565 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.454 -2.077 -16.330 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.105 -1.442 -14.548 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.673 -0.586 -15.968 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.120 -0.705 -11.121 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.772 -0.801 -9.710 1.00 0.00 C ATOM 1214 C CYS A 80 -11.758 -2.253 -9.235 1.00 0.00 C ATOM 1215 O CYS A 80 -10.737 -2.745 -8.761 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.744 0.034 -8.874 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.228 1.609 -9.660 1.00 0.00 S ATOM 0 H CYS A 80 -12.967 -0.170 -11.312 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.764 -0.406 -9.580 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.640 -0.555 -8.680 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.287 0.247 -7.907 1.00 0.00 H new ATOM 1222 N SER A 81 -12.896 -2.928 -9.346 1.00 0.00 N ATOM 1223 CA SER A 81 -13.009 -4.320 -8.910 1.00 0.00 C ATOM 1224 C SER A 81 -11.962 -5.218 -9.576 1.00 0.00 C ATOM 1225 O SER A 81 -11.609 -6.267 -9.038 1.00 0.00 O ATOM 1226 CB SER A 81 -14.411 -4.853 -9.209 1.00 0.00 C ATOM 1227 OG SER A 81 -14.750 -4.663 -10.572 1.00 0.00 O ATOM 0 H SER A 81 -13.755 -2.537 -9.734 1.00 0.00 H new ATOM 0 HA SER A 81 -12.828 -4.339 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.460 -5.914 -8.964 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.139 -4.345 -8.576 1.00 0.00 H new ATOM 0 HG SER A 81 -15.650 -5.014 -10.737 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.472 -4.811 -10.746 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.473 -5.599 -11.468 1.00 0.00 C ATOM 1235 C ALA A 82 -9.098 -5.492 -10.815 1.00 0.00 C ATOM 1236 O ALA A 82 -8.173 -6.224 -11.166 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.399 -5.159 -12.922 1.00 0.00 C ATOM 0 H ALA A 82 -11.748 -3.947 -11.212 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.783 -6.643 -11.428 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.651 -5.755 -13.445 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.371 -5.300 -13.395 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.122 -4.106 -12.970 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.978 -4.582 -9.858 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.722 -4.381 -9.144 1.00 0.00 C ATOM 1245 C LEU A 83 -7.805 -4.977 -7.744 1.00 0.00 C ATOM 1246 O LEU A 83 -6.797 -5.106 -7.050 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.379 -2.889 -9.062 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.983 -2.139 -7.871 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.964 -2.005 -6.750 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.481 -0.768 -8.304 1.00 0.00 C ATOM 0 H LEU A 83 -9.736 -3.970 -9.557 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.931 -4.889 -9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.295 -2.785 -9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.713 -2.406 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.831 -2.713 -7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.412 -1.469 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.652 -2.996 -6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.096 -1.453 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.907 -0.248 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.649 -0.188 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.244 -0.884 -9.074 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.018 -5.327 -7.336 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.250 -5.896 -6.017 1.00 0.00 C ATOM 1264 C LEU A 84 -9.590 -7.380 -6.112 1.00 0.00 C ATOM 1265 O LEU A 84 -10.440 -7.882 -5.377 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.373 -5.130 -5.323 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.467 -3.658 -5.725 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.911 -3.188 -5.724 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.620 -2.798 -4.798 1.00 0.00 C ATOM 0 H LEU A 84 -9.859 -5.226 -7.904 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.336 -5.805 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.322 -5.617 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.228 -5.192 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.080 -3.555 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.952 -2.138 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.488 -3.782 -6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.331 -3.306 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.698 -1.753 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.975 -2.909 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.579 -3.115 -4.857 1.00 0.00 H new ATOM 1281 N SER A 85 -8.908 -8.074 -7.015 1.00 0.00 N ATOM 1282 CA SER A 85 -9.120 -9.506 -7.200 1.00 0.00 C ATOM 1283 C SER A 85 -7.801 -10.250 -7.106 1.00 0.00 C ATOM 1284 O SER A 85 -7.553 -11.220 -7.822 1.00 0.00 O ATOM 1285 CB SER A 85 -9.804 -9.788 -8.539 1.00 0.00 C ATOM 1286 OG SER A 85 -9.098 -9.185 -9.609 1.00 0.00 O ATOM 0 H SER A 85 -8.203 -7.669 -7.631 1.00 0.00 H new ATOM 0 HA SER A 85 -9.777 -9.861 -6.406 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.865 -10.864 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.826 -9.411 -8.515 1.00 0.00 H new ATOM 0 HG SER A 85 -9.554 -9.381 -10.454 1.00 0.00 H new ATOM 1292 N SER A 86 -6.960 -9.748 -6.219 1.00 0.00 N ATOM 1293 CA SER A 86 -5.628 -10.296 -5.980 1.00 0.00 C ATOM 1294 C SER A 86 -4.742 -9.921 -7.145 1.00 0.00 C ATOM 1295 O SER A 86 -3.725 -10.557 -7.421 1.00 0.00 O ATOM 1296 CB SER A 86 -5.676 -11.817 -5.809 1.00 0.00 C ATOM 1297 OG SER A 86 -6.679 -12.194 -4.881 1.00 0.00 O ATOM 0 H SER A 86 -7.181 -8.940 -5.636 1.00 0.00 H new ATOM 0 HA SER A 86 -5.227 -9.881 -5.056 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.871 -12.289 -6.772 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.706 -12.179 -5.468 1.00 0.00 H new ATOM 0 HG SER A 86 -6.691 -13.170 -4.791 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.184 -8.891 -7.848 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.507 -8.398 -9.026 1.00 0.00 C ATOM 1305 C ASP A 87 -4.178 -6.916 -8.893 1.00 0.00 C ATOM 1306 O ASP A 87 -5.078 -6.080 -8.826 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.434 -8.619 -10.209 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.731 -8.483 -11.545 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.734 -9.203 -11.767 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.176 -7.658 -12.369 1.00 0.00 O ATOM 0 H ASP A 87 -6.030 -8.373 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.565 -8.929 -9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.876 -9.613 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.253 -7.901 -10.161 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.891 -6.590 -8.866 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.470 -5.199 -8.751 1.00 0.00 C ATOM 1317 C ILE A 88 -2.317 -4.556 -10.119 1.00 0.00 C ATOM 1318 O ILE A 88 -2.049 -3.365 -10.215 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.146 -5.043 -7.980 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.267 -6.286 -8.148 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.420 -4.766 -6.513 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.214 -6.000 -8.014 1.00 0.00 C ATOM 0 H ILE A 88 -2.127 -7.263 -8.922 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.257 -4.695 -8.190 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.603 -4.193 -8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.555 -7.028 -7.403 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.457 -6.726 -9.127 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.475 -4.658 -5.980 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.997 -3.846 -6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.985 -5.595 -6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.776 -6.925 -8.144 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.516 -5.281 -8.776 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.417 -5.588 -7.026 1.00 0.00 H new ATOM 1334 N THR A 89 -2.475 -5.349 -11.175 1.00 0.00 N ATOM 1335 CA THR A 89 -2.344 -4.842 -12.535 1.00 0.00 C ATOM 1336 C THR A 89 -3.119 -3.542 -12.721 1.00 0.00 C ATOM 1337 O THR A 89 -2.560 -2.533 -13.149 1.00 0.00 O ATOM 1338 CB THR A 89 -2.839 -5.873 -13.568 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.448 -7.192 -13.170 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.277 -5.568 -14.948 1.00 0.00 C ATOM 0 H THR A 89 -2.694 -6.343 -11.114 1.00 0.00 H new ATOM 0 HA THR A 89 -1.283 -4.652 -12.698 1.00 0.00 H new ATOM 0 HB THR A 89 -3.926 -5.815 -13.614 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.768 -7.841 -13.831 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.640 -6.309 -15.661 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.600 -4.575 -15.261 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.188 -5.601 -14.913 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.413 -3.575 -12.414 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.264 -2.409 -12.559 1.00 0.00 C ATOM 1350 C ALA A 90 -4.834 -1.265 -11.641 1.00 0.00 C ATOM 1351 O ALA A 90 -4.770 -0.109 -12.064 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.715 -2.782 -12.300 1.00 0.00 C ATOM 0 H ALA A 90 -4.892 -4.404 -12.062 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.162 -2.055 -13.585 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.343 -1.898 -12.412 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.028 -3.543 -13.015 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.815 -3.172 -11.287 1.00 0.00 H new ATOM 1358 N SER A 91 -4.530 -1.592 -10.387 1.00 0.00 N ATOM 1359 CA SER A 91 -4.100 -0.588 -9.416 1.00 0.00 C ATOM 1360 C SER A 91 -2.780 0.042 -9.828 1.00 0.00 C ATOM 1361 O SER A 91 -2.548 1.232 -9.607 1.00 0.00 O ATOM 1362 CB SER A 91 -3.961 -1.216 -8.027 1.00 0.00 C ATOM 1363 OG SER A 91 -4.131 -2.622 -8.082 1.00 0.00 O ATOM 0 H SER A 91 -4.573 -2.543 -10.020 1.00 0.00 H new ATOM 0 HA SER A 91 -4.860 0.192 -9.384 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.979 -0.981 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.701 -0.783 -7.353 1.00 0.00 H new ATOM 0 HG SER A 91 -4.195 -2.980 -7.172 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.920 -0.760 -10.432 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.634 -0.260 -10.866 1.00 0.00 C ATOM 1371 C VAL A 92 -0.778 0.592 -12.105 1.00 0.00 C ATOM 1372 O VAL A 92 -0.305 1.713 -12.130 1.00 0.00 O ATOM 1373 CB VAL A 92 0.396 -1.365 -11.154 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.617 -0.760 -11.845 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.794 -2.077 -9.869 1.00 0.00 C ATOM 0 H VAL A 92 -2.088 -1.746 -10.630 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.262 0.331 -10.029 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.051 -2.105 -11.817 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.346 -1.544 -12.048 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.312 -0.296 -12.783 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.066 -0.007 -11.197 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.523 -2.855 -10.095 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.232 -1.359 -9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.088 -2.528 -9.415 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.439 0.066 -13.129 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.633 0.806 -14.349 1.00 0.00 C ATOM 1387 C ASN A 93 -2.013 2.241 -14.031 1.00 0.00 C ATOM 1388 O ASN A 93 -1.505 3.189 -14.635 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.693 0.130 -15.199 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.850 1.046 -15.553 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.745 1.877 -16.456 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.961 0.898 -14.842 1.00 0.00 N ATOM 0 H ASN A 93 -1.846 -0.869 -13.130 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.703 0.822 -14.917 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.234 -0.236 -16.117 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.077 -0.740 -14.666 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.772 1.486 -15.035 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.004 0.196 -14.103 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.896 2.386 -13.054 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.337 3.696 -12.624 1.00 0.00 C ATOM 1401 C CYS A 94 -2.171 4.500 -12.068 1.00 0.00 C ATOM 1402 O CYS A 94 -1.975 5.655 -12.442 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.435 3.576 -11.571 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.611 4.962 -11.599 1.00 0.00 S ATOM 0 H CYS A 94 -3.319 1.609 -12.546 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.740 4.217 -13.493 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.978 2.644 -11.727 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.977 3.517 -10.584 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.398 3.889 -11.170 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.260 4.582 -10.577 1.00 0.00 C ATOM 1411 C ALA A 95 0.852 4.777 -11.594 1.00 0.00 C ATOM 1412 O ALA A 95 1.484 5.821 -11.622 1.00 0.00 O ATOM 1413 CB ALA A 95 0.255 3.861 -9.357 1.00 0.00 C ATOM 0 H ALA A 95 -1.537 2.933 -10.843 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.609 5.565 -10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.103 4.407 -8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.536 3.798 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.572 2.856 -9.635 1.00 0.00 H new ATOM 1419 N LYS A 96 1.074 3.781 -12.449 1.00 0.00 N ATOM 1420 CA LYS A 96 2.088 3.898 -13.482 1.00 0.00 C ATOM 1421 C LYS A 96 1.864 5.236 -14.175 1.00 0.00 C ATOM 1422 O LYS A 96 2.795 5.947 -14.559 1.00 0.00 O ATOM 1423 CB LYS A 96 1.966 2.752 -14.489 1.00 0.00 C ATOM 1424 CG LYS A 96 3.288 2.065 -14.794 1.00 0.00 C ATOM 1425 CD LYS A 96 3.298 1.472 -16.193 1.00 0.00 C ATOM 1426 CE LYS A 96 2.833 0.026 -16.189 1.00 0.00 C ATOM 1427 NZ LYS A 96 1.349 -0.081 -16.253 1.00 0.00 N ATOM 0 H LYS A 96 0.569 2.895 -12.444 1.00 0.00 H new ATOM 0 HA LYS A 96 3.087 3.845 -13.048 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.263 2.014 -14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.545 3.138 -15.417 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.103 2.782 -14.696 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.467 1.277 -14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.652 2.061 -16.843 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.305 1.530 -16.607 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.272 -0.499 -17.038 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.194 -0.469 -15.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.997 -0.550 -15.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.935 0.871 -16.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.077 -0.638 -17.088 1.00 0.00 H new ATOM 1441 N LYS A 97 0.581 5.569 -14.260 1.00 0.00 N ATOM 1442 CA LYS A 97 0.132 6.825 -14.837 1.00 0.00 C ATOM 1443 C LYS A 97 0.252 7.942 -13.806 1.00 0.00 C ATOM 1444 O LYS A 97 0.592 9.077 -14.140 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.312 6.709 -15.328 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.509 7.182 -16.758 1.00 0.00 C ATOM 1447 CD LYS A 97 -1.256 6.062 -17.754 1.00 0.00 C ATOM 1448 CE LYS A 97 -0.042 6.353 -18.623 1.00 0.00 C ATOM 1449 NZ LYS A 97 1.058 5.379 -18.384 1.00 0.00 N ATOM 0 H LYS A 97 -0.177 4.972 -13.929 1.00 0.00 H new ATOM 0 HA LYS A 97 0.765 7.061 -15.693 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.630 5.669 -15.251 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.958 7.290 -14.670 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.525 7.558 -16.882 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.834 8.013 -16.964 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.105 5.125 -17.219 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.134 5.930 -18.386 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.332 6.323 -19.673 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.316 7.362 -18.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.867 5.612 -18.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.352 5.425 -17.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.725 4.418 -18.602 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.016 7.605 -12.543 1.00 0.00 N ATOM 1464 CA ILE A 98 0.078 8.576 -11.463 1.00 0.00 C ATOM 1465 C ILE A 98 1.503 9.115 -11.349 1.00 0.00 C ATOM 1466 O ILE A 98 1.723 10.325 -11.303 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.363 7.980 -10.110 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.861 7.649 -10.142 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.059 8.953 -8.979 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.322 6.810 -8.969 1.00 0.00 C ATOM 0 H ILE A 98 -0.298 6.670 -12.249 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.601 9.393 -11.707 1.00 0.00 H new ATOM 0 HB ILE A 98 0.195 7.060 -9.934 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.430 8.579 -10.159 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.088 7.120 -11.068 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.376 8.519 -8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.012 9.151 -8.948 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.596 9.886 -9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.391 6.615 -9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.780 5.864 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.127 7.346 -8.040 1.00 0.00 H new ATOM 1482 N VAL A 99 2.464 8.197 -11.305 1.00 0.00 N ATOM 1483 CA VAL A 99 3.871 8.552 -11.195 1.00 0.00 C ATOM 1484 C VAL A 99 4.397 9.142 -12.500 1.00 0.00 C ATOM 1485 O VAL A 99 5.336 9.937 -12.495 1.00 0.00 O ATOM 1486 CB VAL A 99 4.726 7.337 -10.786 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.139 6.517 -11.999 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.944 7.786 -9.995 1.00 0.00 C ATOM 0 H VAL A 99 2.289 7.193 -11.344 1.00 0.00 H new ATOM 0 HA VAL A 99 3.950 9.309 -10.415 1.00 0.00 H new ATOM 0 HB VAL A 99 4.117 6.696 -10.148 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.741 5.668 -11.676 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.249 6.156 -12.514 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.724 7.139 -12.677 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.537 6.915 -9.714 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.549 8.455 -10.607 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.621 8.310 -9.096 1.00 0.00 H new ATOM 1498 N SER A 100 3.770 8.770 -13.617 1.00 0.00 N ATOM 1499 CA SER A 100 4.171 9.296 -14.916 1.00 0.00 C ATOM 1500 C SER A 100 3.535 10.664 -15.137 1.00 0.00 C ATOM 1501 O SER A 100 3.865 11.374 -16.086 1.00 0.00 O ATOM 1502 CB SER A 100 3.759 8.338 -16.036 1.00 0.00 C ATOM 1503 OG SER A 100 4.222 8.795 -17.294 1.00 0.00 O ATOM 0 H SER A 100 2.990 8.113 -13.646 1.00 0.00 H new ATOM 0 HA SER A 100 5.256 9.397 -14.932 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.161 7.345 -15.836 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.673 8.244 -16.057 1.00 0.00 H new ATOM 0 HG SER A 100 4.356 9.765 -17.260 1.00 0.00 H new ATOM 1509 N ASP A 101 2.617 11.019 -14.242 1.00 0.00 N ATOM 1510 CA ASP A 101 1.919 12.298 -14.316 1.00 0.00 C ATOM 1511 C ASP A 101 2.603 13.349 -13.445 1.00 0.00 C ATOM 1512 O ASP A 101 2.212 14.516 -13.445 1.00 0.00 O ATOM 1513 CB ASP A 101 0.461 12.133 -13.881 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.425 13.249 -14.396 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.662 13.302 -15.621 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -0.883 14.071 -13.574 1.00 0.00 O ATOM 0 H ASP A 101 2.339 10.435 -13.453 1.00 0.00 H new ATOM 0 HA ASP A 101 1.949 12.637 -15.352 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.083 11.177 -14.242 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.410 12.105 -12.793 1.00 0.00 H new ATOM 1521 N GLY A 102 3.631 12.931 -12.708 1.00 0.00 N ATOM 1522 CA GLY A 102 4.351 13.858 -11.852 1.00 0.00 C ATOM 1523 C GLY A 102 4.594 13.308 -10.458 1.00 0.00 C ATOM 1524 O GLY A 102 5.728 13.290 -9.983 1.00 0.00 O ATOM 0 H GLY A 102 3.976 11.971 -12.689 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.308 14.102 -12.313 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.787 14.788 -11.777 1.00 0.00 H new ATOM 1528 N ASN A 103 3.524 12.867 -9.800 1.00 0.00 N ATOM 1529 CA ASN A 103 3.620 12.320 -8.449 1.00 0.00 C ATOM 1530 C ASN A 103 4.606 11.156 -8.394 1.00 0.00 C ATOM 1531 O ASN A 103 4.246 10.012 -8.667 1.00 0.00 O ATOM 1532 CB ASN A 103 2.244 11.859 -7.970 1.00 0.00 C ATOM 1533 CG ASN A 103 1.220 12.977 -7.993 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.436 13.096 -8.934 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.222 13.804 -6.954 1.00 0.00 N ATOM 0 H ASN A 103 2.578 12.878 -10.182 1.00 0.00 H new ATOM 0 HA ASN A 103 3.986 13.108 -7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.898 11.040 -8.601 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.328 11.467 -6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.555 14.575 -6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.890 13.668 -6.195 1.00 0.00 H new ATOM 1542 N GLY A 104 5.852 11.458 -8.042 1.00 0.00 N ATOM 1543 CA GLY A 104 6.874 10.430 -7.965 1.00 0.00 C ATOM 1544 C GLY A 104 7.038 9.848 -6.572 1.00 0.00 C ATOM 1545 O GLY A 104 8.086 10.019 -5.950 1.00 0.00 O ATOM 0 H GLY A 104 6.172 12.398 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.625 9.627 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.826 10.849 -8.290 1.00 0.00 H new ATOM 1549 N MET A 105 5.990 9.177 -6.083 1.00 0.00 N ATOM 1550 CA MET A 105 5.988 8.568 -4.753 1.00 0.00 C ATOM 1551 C MET A 105 5.627 9.607 -3.711 1.00 0.00 C ATOM 1552 O MET A 105 5.673 9.349 -2.509 1.00 0.00 O ATOM 1553 CB MET A 105 7.344 7.930 -4.418 1.00 0.00 C ATOM 1554 CG MET A 105 7.904 7.050 -5.527 1.00 0.00 C ATOM 1555 SD MET A 105 6.636 6.069 -6.349 1.00 0.00 S ATOM 1556 CE MET A 105 5.983 5.142 -4.965 1.00 0.00 C ATOM 0 H MET A 105 5.121 9.042 -6.599 1.00 0.00 H new ATOM 0 HA MET A 105 5.241 7.774 -4.749 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.062 8.720 -4.198 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.239 7.333 -3.512 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.406 7.677 -6.264 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.658 6.383 -5.109 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.816 4.108 -5.266 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.695 5.170 -4.140 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.039 5.583 -4.644 1.00 0.00 H new ATOM 1566 N ASN A 106 5.269 10.791 -4.190 1.00 0.00 N ATOM 1567 CA ASN A 106 4.899 11.897 -3.327 1.00 0.00 C ATOM 1568 C ASN A 106 3.390 11.950 -3.100 1.00 0.00 C ATOM 1569 O ASN A 106 2.927 12.389 -2.047 1.00 0.00 O ATOM 1570 CB ASN A 106 5.375 13.201 -3.956 1.00 0.00 C ATOM 1571 CG ASN A 106 6.762 13.601 -3.490 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.085 13.501 -2.306 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.591 14.057 -4.422 1.00 0.00 N ATOM 0 H ASN A 106 5.228 11.008 -5.186 1.00 0.00 H new ATOM 0 HA ASN A 106 5.374 11.752 -2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.376 13.098 -5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.670 13.996 -3.712 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.537 14.341 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.281 14.123 -5.392 1.00 0.00 H new ATOM 1580 N ALA A 107 2.627 11.502 -4.094 1.00 0.00 N ATOM 1581 CA ALA A 107 1.171 11.502 -3.998 1.00 0.00 C ATOM 1582 C ALA A 107 0.709 10.705 -2.787 1.00 0.00 C ATOM 1583 O ALA A 107 -0.229 11.095 -2.091 1.00 0.00 O ATOM 1584 CB ALA A 107 0.555 10.933 -5.266 1.00 0.00 C ATOM 0 H ALA A 107 2.992 11.135 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 107 0.839 12.533 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.531 10.940 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.854 11.541 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.900 9.909 -5.411 1.00 0.00 H new ATOM 1590 N TRP A 108 1.377 9.585 -2.543 1.00 0.00 N ATOM 1591 CA TRP A 108 1.046 8.722 -1.419 1.00 0.00 C ATOM 1592 C TRP A 108 1.693 9.241 -0.135 1.00 0.00 C ATOM 1593 O TRP A 108 2.907 9.425 -0.066 1.00 0.00 O ATOM 1594 CB TRP A 108 1.482 7.290 -1.727 1.00 0.00 C ATOM 1595 CG TRP A 108 0.929 6.789 -3.031 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.274 6.178 -3.228 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.551 6.873 -4.321 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.437 5.870 -4.559 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.669 6.288 -5.251 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.768 7.384 -4.780 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.966 6.201 -6.611 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.061 7.298 -6.128 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.165 6.711 -7.030 1.00 0.00 C ATOM 0 H TRP A 108 2.155 9.253 -3.112 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.033 8.727 -1.265 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.571 7.243 -1.756 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.156 6.633 -0.921 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.994 5.966 -2.452 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.250 5.406 -4.965 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.467 7.838 -4.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.276 5.748 -7.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.999 7.691 -6.493 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.425 6.660 -8.077 1.00 0.00 H new ATOM 1614 N VAL A 109 0.857 9.504 0.866 1.00 0.00 N ATOM 1615 CA VAL A 109 1.313 10.041 2.148 1.00 0.00 C ATOM 1616 C VAL A 109 2.039 9.013 3.008 1.00 0.00 C ATOM 1617 O VAL A 109 2.863 9.377 3.848 1.00 0.00 O ATOM 1618 CB VAL A 109 0.152 10.601 2.964 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.556 11.892 3.659 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.084 10.813 2.100 1.00 0.00 C ATOM 0 H VAL A 109 -0.150 9.352 0.814 1.00 0.00 H new ATOM 0 HA VAL A 109 2.014 10.834 1.886 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.103 9.866 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.287 12.274 4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.395 11.698 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.850 12.630 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.892 11.213 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.853 11.517 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.393 9.861 1.668 1.00 0.00 H new ATOM 1630 N ALA A 110 1.742 7.738 2.809 1.00 0.00 N ATOM 1631 CA ALA A 110 2.386 6.684 3.588 1.00 0.00 C ATOM 1632 C ALA A 110 3.873 6.610 3.276 1.00 0.00 C ATOM 1633 O ALA A 110 4.656 6.064 4.054 1.00 0.00 O ATOM 1634 CB ALA A 110 1.719 5.345 3.326 1.00 0.00 C ATOM 0 H ALA A 110 1.065 7.407 2.121 1.00 0.00 H new ATOM 0 HA ALA A 110 2.273 6.926 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.212 4.572 3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.668 5.401 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.798 5.100 2.267 1.00 0.00 H new ATOM 1640 N TRP A 111 4.254 7.176 2.140 1.00 0.00 N ATOM 1641 CA TRP A 111 5.651 7.186 1.734 1.00 0.00 C ATOM 1642 C TRP A 111 6.357 8.413 2.302 1.00 0.00 C ATOM 1643 O TRP A 111 7.514 8.335 2.708 1.00 0.00 O ATOM 1644 CB TRP A 111 5.780 7.140 0.208 1.00 0.00 C ATOM 1645 CG TRP A 111 7.199 7.206 -0.273 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.010 6.149 -0.577 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.978 8.387 -0.505 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.242 6.600 -0.984 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.247 7.970 -0.948 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.725 9.757 -0.382 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.258 8.872 -1.268 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.730 10.651 -0.700 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.983 10.205 -1.139 1.00 0.00 C ATOM 0 H TRP A 111 3.618 7.632 1.486 1.00 0.00 H new ATOM 0 HA TRP A 111 6.132 6.293 2.135 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.322 6.222 -0.160 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.220 7.970 -0.222 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.724 5.110 -0.507 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.025 6.011 -1.267 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.762 10.110 -0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.225 8.531 -1.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.546 11.711 -0.608 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.747 10.929 -1.380 1.00 0.00 H new ATOM 1664 N ARG A 112 5.651 9.543 2.352 1.00 0.00 N ATOM 1665 CA ARG A 112 6.213 10.774 2.899 1.00 0.00 C ATOM 1666 C ARG A 112 5.866 10.921 4.376 1.00 0.00 C ATOM 1667 O ARG A 112 5.477 11.999 4.828 1.00 0.00 O ATOM 1668 CB ARG A 112 5.678 11.973 2.135 1.00 0.00 C ATOM 1669 CG ARG A 112 6.724 12.683 1.292 1.00 0.00 C ATOM 1670 CD ARG A 112 6.647 14.191 1.462 1.00 0.00 C ATOM 1671 NE ARG A 112 6.966 14.607 2.824 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.638 15.791 3.332 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.983 16.676 2.591 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.964 16.092 4.580 1.00 0.00 N ATOM 0 H ARG A 112 4.690 9.629 2.020 1.00 0.00 H new ATOM 0 HA ARG A 112 7.297 10.726 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.865 11.645 1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.254 12.684 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.718 12.334 1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.582 12.426 0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 112 7.336 14.669 0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.645 14.534 1.204 1.00 0.00 H new ATOM 0 HE ARG A 112 7.470 13.951 3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.730 16.448 1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.732 17.584 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.468 15.415 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.712 17.001 4.968 1.00 0.00 H new ATOM 1688 N ASN A 113 6.006 9.840 5.122 1.00 0.00 N ATOM 1689 CA ASN A 113 5.703 9.862 6.549 1.00 0.00 C ATOM 1690 C ASN A 113 6.466 8.777 7.294 1.00 0.00 C ATOM 1691 O ASN A 113 7.313 9.066 8.140 1.00 0.00 O ATOM 1692 CB ASN A 113 4.200 9.687 6.774 1.00 0.00 C ATOM 1693 CG ASN A 113 3.527 10.977 7.202 1.00 0.00 C ATOM 1694 OD1 ASN A 113 2.669 11.511 6.341 1.00 0.00 O flip ATOM 1695 ND2 ASN A 113 3.774 11.486 8.296 1.00 0.00 N flip ATOM 0 H ASN A 113 6.326 8.938 4.769 1.00 0.00 H new ATOM 0 HA ASN A 113 6.017 10.830 6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.737 9.326 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.035 8.924 7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.441 11.041 8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.312 12.353 8.571 1.00 0.00 H new ATOM 1702 N ARG A 114 6.153 7.530 6.978 1.00 0.00 N ATOM 1703 CA ARG A 114 6.798 6.395 7.618 1.00 0.00 C ATOM 1704 C ARG A 114 7.952 5.869 6.775 1.00 0.00 C ATOM 1705 O ARG A 114 8.693 4.984 7.204 1.00 0.00 O ATOM 1706 CB ARG A 114 5.779 5.283 7.848 1.00 0.00 C ATOM 1707 CG ARG A 114 5.085 5.360 9.199 1.00 0.00 C ATOM 1708 CD ARG A 114 3.609 5.009 9.087 1.00 0.00 C ATOM 1709 NE ARG A 114 2.751 6.161 9.353 1.00 0.00 N ATOM 1710 CZ ARG A 114 1.433 6.153 9.179 1.00 0.00 C ATOM 1711 NH1 ARG A 114 0.824 5.059 8.741 1.00 0.00 N ATOM 1712 NH2 ARG A 114 0.722 7.241 9.444 1.00 0.00 N ATOM 0 H ARG A 114 5.454 7.278 6.280 1.00 0.00 H new ATOM 0 HA ARG A 114 7.200 6.728 8.575 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.027 5.323 7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.280 4.319 7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.570 4.679 9.898 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.191 6.365 9.607 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.402 4.626 8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.372 4.210 9.790 1.00 0.00 H new ATOM 0 HE ARG A 114 3.187 7.019 9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.367 4.220 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -0.187 5.057 8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 114 1.186 8.084 9.781 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -0.289 7.235 9.310 1.00 0.00 H new ATOM 1726 N CYS A 115 8.091 6.405 5.570 1.00 0.00 N ATOM 1727 CA CYS A 115 9.148 5.970 4.666 1.00 0.00 C ATOM 1728 C CYS A 115 10.205 7.047 4.459 1.00 0.00 C ATOM 1729 O CYS A 115 11.402 6.757 4.474 1.00 0.00 O ATOM 1730 CB CYS A 115 8.558 5.571 3.318 1.00 0.00 C ATOM 1731 SG CYS A 115 9.787 4.898 2.162 1.00 0.00 S ATOM 0 H CYS A 115 7.488 7.138 5.197 1.00 0.00 H new ATOM 0 HA CYS A 115 9.632 5.110 5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.776 4.829 3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.083 6.442 2.866 1.00 0.00 H new ATOM 1736 N LYS A 116 9.765 8.282 4.250 1.00 0.00 N ATOM 1737 CA LYS A 116 10.685 9.390 4.025 1.00 0.00 C ATOM 1738 C LYS A 116 11.662 9.541 5.186 1.00 0.00 C ATOM 1739 O LYS A 116 11.367 10.214 6.175 1.00 0.00 O ATOM 1740 CB LYS A 116 9.906 10.693 3.825 1.00 0.00 C ATOM 1741 CG LYS A 116 10.776 11.862 3.393 1.00 0.00 C ATOM 1742 CD LYS A 116 10.989 11.872 1.888 1.00 0.00 C ATOM 1743 CE LYS A 116 12.468 11.890 1.536 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.897 10.630 0.870 1.00 0.00 N ATOM 0 H LYS A 116 8.779 8.541 4.232 1.00 0.00 H new ATOM 0 HA LYS A 116 11.258 9.172 3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.131 10.532 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.401 10.951 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.310 12.798 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.740 11.805 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.519 10.993 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.500 12.745 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.674 12.736 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.055 12.039 2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.774 10.800 0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.064 9.897 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.153 10.312 0.217 1.00 0.00 H new ATOM 1758 N GLY A 117 12.830 8.916 5.058 1.00 0.00 N ATOM 1759 CA GLY A 117 13.831 9.001 6.104 1.00 0.00 C ATOM 1760 C GLY A 117 14.446 7.657 6.447 1.00 0.00 C ATOM 1761 O GLY A 117 15.274 7.566 7.353 1.00 0.00 O ATOM 0 H GLY A 117 13.099 8.354 4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.619 9.685 5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.378 9.426 6.999 1.00 0.00 H new ATOM 1765 N THR A 118 14.045 6.611 5.729 1.00 0.00 N ATOM 1766 CA THR A 118 14.571 5.272 5.974 1.00 0.00 C ATOM 1767 C THR A 118 15.359 4.764 4.769 1.00 0.00 C ATOM 1768 O THR A 118 15.916 5.554 4.005 1.00 0.00 O ATOM 1769 CB THR A 118 13.439 4.278 6.297 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.517 4.211 5.202 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.701 4.689 7.562 1.00 0.00 C ATOM 0 H THR A 118 13.360 6.665 4.975 1.00 0.00 H new ATOM 0 HA THR A 118 15.237 5.341 6.834 1.00 0.00 H new ATOM 0 HB THR A 118 13.884 3.296 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.139 5.100 5.038 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.907 3.972 7.769 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.398 4.710 8.399 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.268 5.680 7.425 1.00 0.00 H new ATOM 1779 N ASP A 119 15.408 3.444 4.602 1.00 0.00 N ATOM 1780 CA ASP A 119 16.133 2.842 3.489 1.00 0.00 C ATOM 1781 C ASP A 119 15.287 1.806 2.757 1.00 0.00 C ATOM 1782 O ASP A 119 15.039 0.715 3.269 1.00 0.00 O ATOM 1783 CB ASP A 119 17.414 2.208 3.976 1.00 0.00 C ATOM 1784 CG ASP A 119 18.510 2.231 2.929 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.274 1.725 1.811 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.604 2.755 3.225 1.00 0.00 O ATOM 0 H ASP A 119 14.955 2.773 5.223 1.00 0.00 H new ATOM 0 HA ASP A 119 16.370 3.640 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.758 2.731 4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.217 1.176 4.268 1.00 0.00 H new ATOM 1791 N VAL A 120 14.851 2.159 1.552 1.00 0.00 N ATOM 1792 CA VAL A 120 14.037 1.273 0.733 1.00 0.00 C ATOM 1793 C VAL A 120 14.895 0.190 0.096 1.00 0.00 C ATOM 1794 O VAL A 120 14.438 -0.933 -0.118 1.00 0.00 O ATOM 1795 CB VAL A 120 13.297 2.051 -0.372 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.370 3.091 0.237 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.287 2.706 -1.323 1.00 0.00 C ATOM 0 H VAL A 120 15.051 3.061 1.120 1.00 0.00 H new ATOM 0 HA VAL A 120 13.300 0.812 1.390 1.00 0.00 H new ATOM 0 HB VAL A 120 12.693 1.345 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.856 3.631 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.636 2.596 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.953 3.793 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.744 3.250 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.920 3.399 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.907 1.939 -1.787 1.00 0.00 H new ATOM 1807 N GLN A 121 16.148 0.531 -0.195 1.00 0.00 N ATOM 1808 CA GLN A 121 17.074 -0.421 -0.791 1.00 0.00 C ATOM 1809 C GLN A 121 17.226 -1.625 0.125 1.00 0.00 C ATOM 1810 O GLN A 121 17.542 -2.729 -0.319 1.00 0.00 O ATOM 1811 CB GLN A 121 18.436 0.234 -1.032 1.00 0.00 C ATOM 1812 CG GLN A 121 19.243 -0.433 -2.134 1.00 0.00 C ATOM 1813 CD GLN A 121 19.989 0.568 -2.997 1.00 0.00 C ATOM 1814 OE1 GLN A 121 21.219 0.578 -3.033 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.243 1.415 -3.697 1.00 0.00 N ATOM 0 H GLN A 121 16.542 1.457 -0.027 1.00 0.00 H new ATOM 0 HA GLN A 121 16.676 -0.747 -1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.286 1.283 -1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.011 0.210 -0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.957 -1.126 -1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.575 -1.023 -2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 121 18.226 1.369 -3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 121 19.687 2.111 -4.296 1.00 0.00 H new ATOM 1824 N ALA A 122 16.978 -1.398 1.411 1.00 0.00 N ATOM 1825 CA ALA A 122 17.063 -2.451 2.410 1.00 0.00 C ATOM 1826 C ALA A 122 15.716 -3.145 2.567 1.00 0.00 C ATOM 1827 O ALA A 122 15.643 -4.277 3.048 1.00 0.00 O ATOM 1828 CB ALA A 122 17.529 -1.884 3.741 1.00 0.00 C ATOM 0 H ALA A 122 16.715 -0.486 1.785 1.00 0.00 H new ATOM 0 HA ALA A 122 17.793 -3.188 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.587 -2.685 4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.513 -1.431 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.822 -1.128 4.082 1.00 0.00 H new ATOM 1834 N TRP A 123 14.649 -2.462 2.150 1.00 0.00 N ATOM 1835 CA TRP A 123 13.304 -3.027 2.242 1.00 0.00 C ATOM 1836 C TRP A 123 13.170 -4.261 1.355 1.00 0.00 C ATOM 1837 O TRP A 123 12.264 -5.074 1.538 1.00 0.00 O ATOM 1838 CB TRP A 123 12.254 -1.987 1.843 1.00 0.00 C ATOM 1839 CG TRP A 123 11.752 -1.168 2.994 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.553 0.181 3.008 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.379 -1.639 4.298 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.086 0.575 4.238 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.973 -0.527 5.043 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.352 -2.891 4.908 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.546 -0.639 6.358 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.928 -3.000 6.214 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.529 -1.876 6.928 1.00 0.00 C ATOM 0 H TRP A 123 14.690 -1.525 1.749 1.00 0.00 H new ATOM 0 HA TRP A 123 13.136 -3.321 3.278 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.681 -1.321 1.093 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.411 -2.495 1.375 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.736 0.843 2.174 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.860 1.532 4.508 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.661 -3.770 4.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.235 0.232 6.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.905 -3.970 6.689 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.200 -1.985 7.951 1.00 0.00 H new ATOM 1858 N ILE A 124 14.080 -4.395 0.394 1.00 0.00 N ATOM 1859 CA ILE A 124 14.067 -5.530 -0.521 1.00 0.00 C ATOM 1860 C ILE A 124 15.411 -6.250 -0.518 1.00 0.00 C ATOM 1861 O ILE A 124 15.688 -7.073 -1.391 1.00 0.00 O ATOM 1862 CB ILE A 124 13.734 -5.090 -1.959 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.614 -3.909 -2.374 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.261 -4.729 -2.076 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.620 -4.255 -3.451 1.00 0.00 C ATOM 0 H ILE A 124 14.836 -3.730 0.230 1.00 0.00 H new ATOM 0 HA ILE A 124 13.291 -6.211 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 124 13.938 -5.922 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.977 -3.099 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.145 -3.536 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.042 -4.420 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.652 -5.597 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.031 -3.911 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.209 -3.371 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.281 -5.044 -3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 124 15.095 -4.599 -4.342 1.00 0.00 H new ATOM 1877 N ARG A 125 16.242 -5.932 0.470 1.00 0.00 N ATOM 1878 CA ARG A 125 17.559 -6.546 0.591 1.00 0.00 C ATOM 1879 C ARG A 125 17.440 -8.038 0.888 1.00 0.00 C ATOM 1880 O ARG A 125 17.240 -8.437 2.036 1.00 0.00 O ATOM 1881 CB ARG A 125 18.366 -5.857 1.692 1.00 0.00 C ATOM 1882 CG ARG A 125 19.867 -5.884 1.454 1.00 0.00 C ATOM 1883 CD ARG A 125 20.613 -5.084 2.510 1.00 0.00 C ATOM 1884 NE ARG A 125 20.982 -5.905 3.660 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.155 -6.519 3.784 1.00 0.00 C ATOM 1886 NH1 ARG A 125 23.071 -6.403 2.830 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.414 -7.248 4.860 1.00 0.00 N ATOM 0 H ARG A 125 16.026 -5.252 1.199 1.00 0.00 H new ATOM 0 HA ARG A 125 18.078 -6.425 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.039 -4.821 1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.149 -6.339 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.219 -6.916 1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.087 -5.479 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.512 -4.652 2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.990 -4.253 2.843 1.00 0.00 H new ATOM 0 HE ARG A 125 20.301 -6.014 4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.875 -5.842 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.970 -6.874 2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.713 -7.339 5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.314 -7.718 4.953 1.00 0.00 H new ATOM 1901 N GLY A 126 17.568 -8.856 -0.152 1.00 0.00 N ATOM 1902 CA GLY A 126 17.474 -10.295 0.019 1.00 0.00 C ATOM 1903 C GLY A 126 16.242 -10.882 -0.643 1.00 0.00 C ATOM 1904 O GLY A 126 16.029 -12.094 -0.608 1.00 0.00 O ATOM 0 H GLY A 126 17.735 -8.548 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.365 -10.766 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.457 -10.530 1.083 1.00 0.00 H new ATOM 1908 N CYS A 127 15.430 -10.020 -1.246 1.00 0.00 N ATOM 1909 CA CYS A 127 14.213 -10.455 -1.916 1.00 0.00 C ATOM 1910 C CYS A 127 14.524 -11.336 -3.120 1.00 0.00 C ATOM 1911 O CYS A 127 15.282 -10.947 -4.009 1.00 0.00 O ATOM 1912 CB CYS A 127 13.396 -9.253 -2.343 1.00 0.00 C ATOM 1913 SG CYS A 127 12.180 -8.700 -1.107 1.00 0.00 S ATOM 0 H CYS A 127 15.595 -9.014 -1.284 1.00 0.00 H new ATOM 0 HA CYS A 127 13.634 -11.049 -1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.073 -8.428 -2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.873 -9.494 -3.269 1.00 0.00 H new ATOM 1918 N ARG A 128 13.934 -12.527 -3.140 1.00 0.00 N ATOM 1919 CA ARG A 128 14.145 -13.468 -4.233 1.00 0.00 C ATOM 1920 C ARG A 128 13.229 -13.150 -5.411 1.00 0.00 C ATOM 1921 O ARG A 128 12.085 -13.603 -5.461 1.00 0.00 O ATOM 1922 CB ARG A 128 13.901 -14.900 -3.755 1.00 0.00 C ATOM 1923 CG ARG A 128 14.386 -15.959 -4.731 1.00 0.00 C ATOM 1924 CD ARG A 128 13.493 -17.190 -4.706 1.00 0.00 C ATOM 1925 NE ARG A 128 12.275 -16.999 -5.487 1.00 0.00 N ATOM 1926 CZ ARG A 128 11.341 -17.934 -5.640 1.00 0.00 C ATOM 1927 NH1 ARG A 128 11.487 -19.121 -5.067 1.00 0.00 N ATOM 1928 NH2 ARG A 128 10.262 -17.681 -6.367 1.00 0.00 N ATOM 0 H ARG A 128 13.305 -12.863 -2.410 1.00 0.00 H new ATOM 0 HA ARG A 128 15.179 -13.374 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 128 14.401 -15.044 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.834 -15.039 -3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.408 -15.544 -5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.408 -16.244 -4.482 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.044 -18.045 -5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.229 -17.425 -3.675 1.00 0.00 H new ATOM 0 HE ARG A 128 12.132 -16.097 -5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.317 -19.319 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 128 10.770 -19.836 -5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.147 -16.769 -6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 128 9.546 -18.398 -6.484 1.00 0.00 H new ATOM 1942 N LEU A 129 13.740 -12.367 -6.356 1.00 0.00 N ATOM 1943 CA LEU A 129 12.968 -11.987 -7.534 1.00 0.00 C ATOM 1944 C LEU A 129 13.887 -11.526 -8.660 1.00 0.00 C ATOM 1945 O LEU A 129 14.999 -11.044 -8.357 1.00 0.00 O ATOM 1946 CB LEU A 129 11.973 -10.878 -7.182 1.00 0.00 C ATOM 1947 CG LEU A 129 12.603 -9.547 -6.769 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.540 -8.549 -7.915 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.908 -8.990 -5.536 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.488 -11.651 -9.837 1.00 0.00 O ATOM 0 H LEU A 129 14.685 -11.983 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 129 12.417 -12.863 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.327 -10.705 -8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.335 -11.228 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 129 13.651 -9.722 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.993 -7.608 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.082 -8.946 -8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.500 -8.377 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.369 -8.043 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.852 -8.830 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.004 -9.698 -4.713 1.00 0.00 H new TER 1962 LEU A 129