USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 955 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 31 ASN :FLIP amide:sc= -2.24 F(o=-3.1,f=-2.5) USER MOD Set 1.2: A 82 SER OG : rot 120:sc= -0.257 USER MOD Set 2.1: A 62 SER OG : rot -151:sc= 0.0945 USER MOD Set 2.2: A 64 GLN : amide:sc= 0.31 K(o=0.4,f=-4.2!) USER MOD Set 3.1: A 10 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Set 3.2: A 52 GLN : amide:sc= -3.97! C(o=-4!,f=-3.8!) USER MOD Single : A 1 PHE N :NH3+ -159:sc= 1.3 (180deg=0.612) USER MOD Single : A 2 THR OG1 : rot -34:sc= 0.0659 USER MOD Single : A 5 GLN : amide:sc= -2.9 K(o=-2.9,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.78 K(o=-1.8,f=-4.3!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.692 X(o=-0.69,f=-0.43) USER MOD Single : A 22 SER OG : rot 71:sc= 0.802 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= -0.191 (180deg=-1.66!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -9.89! C(o=-9.9!,f=-14!) USER MOD Single : A 34 LYS NZ :NH3+ -117:sc= -0.571 (180deg=-2.45!) USER MOD Single : A 37 TYR OH : rot -10:sc= -2.19 USER MOD Single : A 38 ASN : amide:sc= -0.394 K(o=-0.39,f=-0.94) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -27:sc= 0.0465 USER MOD Single : A 45 SER OG : rot -160:sc= 1.11 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -2.94 K(o=-2.9,f=-4.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -129:sc= -1.79 (180deg=-4.54!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.172 (180deg=-1.08) USER MOD Single : A 71 MET CE :methyl 169:sc= -0.042 (180deg=-0.0759) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.106) USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0292) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0437 F(o=-1.5,f=-0.044) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 144:sc= 0.313 (180deg=-0.1) USER MOD Single : A 84 CYS SG : rot 180:sc= -2.18 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.321 K(o=-0.32,f=-4.9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.0638 F(o=-1.1,f=-0.064) USER MOD Single : A 107 MET CE :methyl 155:sc= -9.11! (180deg=-12.9!) USER MOD Single : A 108 HIS : no HD1:sc= -0.872! C(o=-0.87!,f=-3.8!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 14.027 -10.403 -3.578 1.00 0.00 N ATOM 2 CA PHE A 1 12.824 -9.614 -3.970 1.00 0.00 C ATOM 3 C PHE A 1 13.016 -8.140 -3.605 1.00 0.00 C ATOM 4 O PHE A 1 14.083 -7.726 -3.197 1.00 0.00 O ATOM 5 CB PHE A 1 11.674 -10.221 -3.168 1.00 0.00 C ATOM 6 CG PHE A 1 11.894 -9.967 -1.696 1.00 0.00 C ATOM 7 CD1 PHE A 1 12.640 -10.873 -0.933 1.00 0.00 C ATOM 8 CD2 PHE A 1 11.353 -8.823 -1.095 1.00 0.00 C ATOM 9 CE1 PHE A 1 12.844 -10.637 0.432 1.00 0.00 C ATOM 10 CE2 PHE A 1 11.557 -8.588 0.270 1.00 0.00 C ATOM 11 CZ PHE A 1 12.303 -9.494 1.034 1.00 0.00 C ATOM 0 H1 PHE A 1 14.055 -11.288 -4.124 1.00 0.00 H new ATOM 0 H2 PHE A 1 14.885 -9.848 -3.774 1.00 0.00 H new ATOM 0 H3 PHE A 1 13.982 -10.624 -2.563 1.00 0.00 H new ATOM 0 HA PHE A 1 12.636 -9.652 -5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 1 10.726 -9.785 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 1 11.611 -11.293 -3.357 1.00 0.00 H new ATOM 0 HD1 PHE A 1 13.058 -11.754 -1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 1 10.779 -8.123 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 1 13.419 -11.337 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 1 11.139 -7.707 0.734 1.00 0.00 H new ATOM 0 HZ PHE A 1 12.461 -9.311 2.087 1.00 0.00 H new ATOM 23 N THR A 2 11.992 -7.344 -3.749 1.00 0.00 N ATOM 24 CA THR A 2 12.122 -5.897 -3.411 1.00 0.00 C ATOM 25 C THR A 2 10.740 -5.260 -3.239 1.00 0.00 C ATOM 26 O THR A 2 10.152 -4.765 -4.180 1.00 0.00 O ATOM 27 CB THR A 2 12.852 -5.278 -4.601 1.00 0.00 C ATOM 28 OG1 THR A 2 14.088 -5.951 -4.798 1.00 0.00 O ATOM 29 CG2 THR A 2 13.111 -3.796 -4.327 1.00 0.00 C ATOM 0 H THR A 2 11.073 -7.631 -4.085 1.00 0.00 H new ATOM 0 HA THR A 2 12.658 -5.741 -2.475 1.00 0.00 H new ATOM 0 HB THR A 2 12.239 -5.377 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.450 -6.230 -3.931 1.00 0.00 H new ATOM 0 HG21 THR A 2 13.632 -3.355 -5.177 1.00 0.00 H new ATOM 0 HG22 THR A 2 12.161 -3.282 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.724 -3.693 -3.432 1.00 0.00 H new ATOM 37 N ILE A 3 10.222 -5.264 -2.042 1.00 0.00 N ATOM 38 CA ILE A 3 8.882 -4.654 -1.806 1.00 0.00 C ATOM 39 C ILE A 3 9.003 -3.516 -0.785 1.00 0.00 C ATOM 40 O ILE A 3 8.566 -2.407 -1.023 1.00 0.00 O ATOM 41 CB ILE A 3 8.019 -5.797 -1.258 1.00 0.00 C ATOM 42 CG1 ILE A 3 7.464 -6.618 -2.425 1.00 0.00 C ATOM 43 CG2 ILE A 3 6.854 -5.230 -0.446 1.00 0.00 C ATOM 44 CD1 ILE A 3 6.577 -7.741 -1.884 1.00 0.00 C ATOM 0 H ILE A 3 10.668 -5.663 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 3 8.449 -4.223 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 3 8.632 -6.430 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.890 -5.977 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.283 -7.037 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.246 -6.049 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.242 -4.643 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.242 -4.593 -1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.182 -8.325 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.165 -8.388 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.751 -7.311 -1.318 1.00 0.00 H new ATOM 56 N ALA A 4 9.591 -3.783 0.349 1.00 0.00 N ATOM 57 CA ALA A 4 9.737 -2.716 1.380 1.00 0.00 C ATOM 58 C ALA A 4 10.723 -3.158 2.463 1.00 0.00 C ATOM 59 O ALA A 4 10.337 -3.606 3.523 1.00 0.00 O ATOM 60 CB ALA A 4 8.338 -2.542 1.970 1.00 0.00 C ATOM 0 H ALA A 4 9.976 -4.692 0.606 1.00 0.00 H new ATOM 0 HA ALA A 4 10.122 -1.787 0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.361 -1.771 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.645 -2.248 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.009 -3.484 2.410 1.00 0.00 H new ATOM 66 N GLN A 5 11.995 -3.035 2.205 1.00 0.00 N ATOM 67 CA GLN A 5 13.002 -3.449 3.224 1.00 0.00 C ATOM 68 C GLN A 5 13.525 -2.224 3.979 1.00 0.00 C ATOM 69 O GLN A 5 14.543 -1.658 3.634 1.00 0.00 O ATOM 70 CB GLN A 5 14.122 -4.111 2.424 1.00 0.00 C ATOM 71 CG GLN A 5 13.818 -5.601 2.262 1.00 0.00 C ATOM 72 CD GLN A 5 13.041 -5.827 0.963 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.919 -5.383 0.828 1.00 0.00 O ATOM 74 NE2 GLN A 5 13.595 -6.504 -0.005 1.00 0.00 N ATOM 0 H GLN A 5 12.381 -2.667 1.336 1.00 0.00 H new ATOM 0 HA GLN A 5 12.584 -4.123 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.213 -3.639 1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.076 -3.976 2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.746 -6.172 2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.237 -5.959 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.538 -6.877 0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.086 -6.660 -0.875 1.00 0.00 H new ATOM 83 N GLY A 6 12.833 -1.811 5.006 1.00 0.00 N ATOM 84 CA GLY A 6 13.289 -0.623 5.784 1.00 0.00 C ATOM 85 C GLY A 6 12.173 0.423 5.824 1.00 0.00 C ATOM 86 O GLY A 6 12.425 1.611 5.856 1.00 0.00 O ATOM 0 H GLY A 6 11.972 -2.244 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.559 -0.921 6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.183 -0.198 5.328 1.00 0.00 H new ATOM 90 N LYS A 7 10.941 -0.009 5.822 1.00 0.00 N ATOM 91 CA LYS A 7 9.810 0.963 5.861 1.00 0.00 C ATOM 92 C LYS A 7 9.251 1.069 7.281 1.00 0.00 C ATOM 93 O LYS A 7 8.074 1.294 7.479 1.00 0.00 O ATOM 94 CB LYS A 7 8.759 0.385 4.912 1.00 0.00 C ATOM 95 CG LYS A 7 9.404 0.086 3.556 1.00 0.00 C ATOM 96 CD LYS A 7 9.823 1.398 2.889 1.00 0.00 C ATOM 97 CE LYS A 7 11.344 1.546 2.960 1.00 0.00 C ATOM 98 NZ LYS A 7 11.749 2.018 1.606 1.00 0.00 N ATOM 0 H LYS A 7 10.669 -0.992 5.795 1.00 0.00 H new ATOM 0 HA LYS A 7 10.118 1.966 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.335 -0.526 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.938 1.091 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.272 -0.560 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.702 -0.451 2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.494 1.411 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.342 2.240 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.636 2.260 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.822 0.598 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.781 2.143 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.465 1.315 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.284 2.926 1.401 1.00 0.00 H new ATOM 112 N GLY A 8 10.086 0.908 8.271 1.00 0.00 N ATOM 113 CA GLY A 8 9.602 1.002 9.676 1.00 0.00 C ATOM 114 C GLY A 8 8.773 -0.238 10.015 1.00 0.00 C ATOM 115 O GLY A 8 9.254 -1.169 10.630 1.00 0.00 O ATOM 0 H GLY A 8 11.082 0.715 8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.448 1.084 10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.000 1.901 9.805 1.00 0.00 H new ATOM 119 N GLN A 9 7.528 -0.257 9.624 1.00 0.00 N ATOM 120 CA GLN A 9 6.670 -1.437 9.929 1.00 0.00 C ATOM 121 C GLN A 9 6.113 -2.042 8.636 1.00 0.00 C ATOM 122 O GLN A 9 5.760 -3.203 8.587 1.00 0.00 O ATOM 123 CB GLN A 9 5.535 -0.887 10.795 1.00 0.00 C ATOM 124 CG GLN A 9 4.677 0.071 9.966 1.00 0.00 C ATOM 125 CD GLN A 9 4.021 1.097 10.891 1.00 0.00 C ATOM 126 OE1 GLN A 9 4.068 2.284 10.632 1.00 0.00 O ATOM 127 NE2 GLN A 9 3.407 0.688 11.968 1.00 0.00 N ATOM 0 H GLN A 9 7.068 0.493 9.107 1.00 0.00 H new ATOM 0 HA GLN A 9 7.224 -2.228 10.434 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.923 -1.706 11.173 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.944 -0.368 11.662 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.293 0.577 9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.913 -0.485 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.367 -0.308 12.185 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.967 1.364 12.592 1.00 0.00 H new ATOM 136 N LYS A 10 6.036 -1.269 7.588 1.00 0.00 N ATOM 137 CA LYS A 10 5.505 -1.806 6.300 1.00 0.00 C ATOM 138 C LYS A 10 4.008 -2.111 6.424 1.00 0.00 C ATOM 139 O LYS A 10 3.495 -2.333 7.503 1.00 0.00 O ATOM 140 CB LYS A 10 6.292 -3.093 6.053 1.00 0.00 C ATOM 141 CG LYS A 10 6.592 -3.234 4.559 1.00 0.00 C ATOM 142 CD LYS A 10 7.726 -4.240 4.363 1.00 0.00 C ATOM 143 CE LYS A 10 7.402 -5.524 5.130 1.00 0.00 C ATOM 144 NZ LYS A 10 8.655 -6.329 5.080 1.00 0.00 N ATOM 0 H LYS A 10 6.317 -0.289 7.566 1.00 0.00 H new ATOM 0 HA LYS A 10 5.616 -1.094 5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.222 -3.077 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.721 -3.953 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.700 -3.566 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.872 -2.267 4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.854 -4.459 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.667 -3.819 4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.113 -5.307 6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.571 -6.059 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.506 -7.234 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.911 -6.511 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.423 -5.805 5.545 1.00 0.00 H new ATOM 158 N LEU A 11 3.305 -2.124 5.323 1.00 0.00 N ATOM 159 CA LEU A 11 1.842 -2.416 5.366 1.00 0.00 C ATOM 160 C LEU A 11 1.596 -3.853 5.837 1.00 0.00 C ATOM 161 O LEU A 11 0.473 -4.256 6.066 1.00 0.00 O ATOM 162 CB LEU A 11 1.365 -2.241 3.924 1.00 0.00 C ATOM 163 CG LEU A 11 1.497 -0.774 3.516 1.00 0.00 C ATOM 164 CD1 LEU A 11 1.327 -0.646 2.001 1.00 0.00 C ATOM 165 CD2 LEU A 11 0.418 0.050 4.222 1.00 0.00 C ATOM 0 H LEU A 11 3.682 -1.944 4.392 1.00 0.00 H new ATOM 0 HA LEU A 11 1.313 -1.762 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.955 -2.869 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.328 -2.563 3.832 1.00 0.00 H new ATOM 0 HG LEU A 11 2.482 -0.405 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.421 0.401 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.096 -1.232 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.343 -1.015 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.511 1.096 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.567 -0.319 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.540 -0.039 5.301 1.00 0.00 H new ATOM 177 N CYS A 12 2.634 -4.632 5.980 1.00 0.00 N ATOM 178 CA CYS A 12 2.450 -6.041 6.431 1.00 0.00 C ATOM 179 C CYS A 12 2.466 -6.112 7.960 1.00 0.00 C ATOM 180 O CYS A 12 1.751 -6.887 8.562 1.00 0.00 O ATOM 181 CB CYS A 12 3.641 -6.801 5.843 1.00 0.00 C ATOM 182 SG CYS A 12 3.757 -8.433 6.615 1.00 0.00 S ATOM 0 H CYS A 12 3.600 -4.354 5.804 1.00 0.00 H new ATOM 0 HA CYS A 12 1.498 -6.461 6.105 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.523 -6.905 4.764 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.561 -6.242 6.010 1.00 0.00 H new ATOM 0 HG CYS A 12 4.768 -9.079 6.114 1.00 0.00 H new ATOM 188 N GLU A 13 3.274 -5.305 8.593 1.00 0.00 N ATOM 189 CA GLU A 13 3.326 -5.329 10.083 1.00 0.00 C ATOM 190 C GLU A 13 1.974 -4.909 10.662 1.00 0.00 C ATOM 191 O GLU A 13 1.417 -5.576 11.512 1.00 0.00 O ATOM 192 CB GLU A 13 4.410 -4.320 10.460 1.00 0.00 C ATOM 193 CG GLU A 13 4.513 -4.228 11.983 1.00 0.00 C ATOM 194 CD GLU A 13 5.883 -4.739 12.432 1.00 0.00 C ATOM 195 OE1 GLU A 13 6.513 -5.443 11.660 1.00 0.00 O ATOM 196 OE2 GLU A 13 6.279 -4.419 13.540 1.00 0.00 O ATOM 0 H GLU A 13 3.898 -4.633 8.145 1.00 0.00 H new ATOM 0 HA GLU A 13 3.545 -6.323 10.474 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.368 -4.624 10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.173 -3.342 10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.374 -3.196 12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.723 -4.817 12.448 1.00 0.00 H new ATOM 203 N ILE A 14 1.437 -3.809 10.205 1.00 0.00 N ATOM 204 CA ILE A 14 0.117 -3.357 10.730 1.00 0.00 C ATOM 205 C ILE A 14 -0.992 -4.284 10.221 1.00 0.00 C ATOM 206 O ILE A 14 -1.316 -4.299 9.050 1.00 0.00 O ATOM 207 CB ILE A 14 -0.063 -1.935 10.197 1.00 0.00 C ATOM 208 CG1 ILE A 14 -0.093 -1.956 8.664 1.00 0.00 C ATOM 209 CG2 ILE A 14 1.101 -1.064 10.676 1.00 0.00 C ATOM 210 CD1 ILE A 14 0.089 -0.534 8.126 1.00 0.00 C ATOM 0 H ILE A 14 1.853 -3.207 9.495 1.00 0.00 H new ATOM 0 HA ILE A 14 0.071 -3.380 11.819 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.003 -1.525 10.567 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.697 -2.603 8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.039 -2.369 8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.976 -0.049 10.298 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.117 -1.046 11.766 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.040 -1.476 10.306 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.067 -0.552 7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.717 0.100 8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.046 -0.137 8.463 1.00 0.00 H new ATOM 222 N GLU A 15 -1.564 -5.066 11.094 1.00 0.00 N ATOM 223 CA GLU A 15 -2.643 -6.008 10.674 1.00 0.00 C ATOM 224 C GLU A 15 -3.933 -5.249 10.350 1.00 0.00 C ATOM 225 O GLU A 15 -4.713 -5.669 9.521 1.00 0.00 O ATOM 226 CB GLU A 15 -2.852 -6.926 11.878 1.00 0.00 C ATOM 227 CG GLU A 15 -1.802 -8.039 11.859 1.00 0.00 C ATOM 228 CD GLU A 15 -2.207 -9.104 10.839 1.00 0.00 C ATOM 229 OE1 GLU A 15 -2.200 -8.799 9.658 1.00 0.00 O ATOM 230 OE2 GLU A 15 -2.515 -10.209 11.257 1.00 0.00 O ATOM 0 H GLU A 15 -1.330 -5.094 12.086 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.374 -6.560 9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.775 -6.354 12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.853 -7.356 11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.825 -7.628 11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.711 -8.485 12.850 1.00 0.00 H new ATOM 237 N ARG A 16 -4.168 -4.147 11.010 1.00 0.00 N ATOM 238 CA ARG A 16 -5.415 -3.363 10.755 1.00 0.00 C ATOM 239 C ARG A 16 -5.778 -3.374 9.264 1.00 0.00 C ATOM 240 O ARG A 16 -6.802 -3.897 8.869 1.00 0.00 O ATOM 241 CB ARG A 16 -5.087 -1.943 11.214 1.00 0.00 C ATOM 242 CG ARG A 16 -6.362 -1.099 11.212 1.00 0.00 C ATOM 243 CD ARG A 16 -6.668 -0.634 12.638 1.00 0.00 C ATOM 244 NE ARG A 16 -8.118 -0.912 12.827 1.00 0.00 N ATOM 245 CZ ARG A 16 -8.964 0.077 12.932 1.00 0.00 C ATOM 246 NH1 ARG A 16 -8.708 1.216 12.349 1.00 0.00 N ATOM 247 NH2 ARG A 16 -10.064 -0.074 13.617 1.00 0.00 N ATOM 0 H ARG A 16 -3.548 -3.753 11.718 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.272 -3.782 11.283 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.653 -1.964 12.214 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.343 -1.499 10.553 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.240 -0.238 10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.196 -1.682 10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.064 -1.173 13.368 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.449 0.426 12.764 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.451 -1.875 12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.848 1.332 11.812 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.368 1.990 12.430 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.264 -0.965 14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.724 0.699 13.698 1.00 0.00 H new ATOM 261 N ILE A 17 -4.954 -2.794 8.435 1.00 0.00 N ATOM 262 CA ILE A 17 -5.262 -2.769 6.975 1.00 0.00 C ATOM 263 C ILE A 17 -5.241 -4.187 6.396 1.00 0.00 C ATOM 264 O ILE A 17 -6.095 -4.560 5.616 1.00 0.00 O ATOM 265 CB ILE A 17 -4.159 -1.914 6.352 1.00 0.00 C ATOM 266 CG1 ILE A 17 -2.849 -2.705 6.326 1.00 0.00 C ATOM 267 CG2 ILE A 17 -3.967 -0.645 7.185 1.00 0.00 C ATOM 268 CD1 ILE A 17 -1.723 -1.811 5.801 1.00 0.00 C ATOM 0 H ILE A 17 -4.083 -2.337 8.704 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.254 -2.366 6.772 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.442 -1.645 5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.607 -3.062 7.327 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.955 -3.585 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.180 -0.034 6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.898 -0.079 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.685 -0.917 8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.790 -2.374 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.965 -1.476 4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.611 -0.945 6.454 1.00 0.00 H new ATOM 280 N HIS A 18 -4.275 -4.979 6.770 1.00 0.00 N ATOM 281 CA HIS A 18 -4.204 -6.371 6.237 1.00 0.00 C ATOM 282 C HIS A 18 -5.526 -7.103 6.491 1.00 0.00 C ATOM 283 O HIS A 18 -5.958 -7.918 5.700 1.00 0.00 O ATOM 284 CB HIS A 18 -3.065 -7.036 7.012 1.00 0.00 C ATOM 285 CG HIS A 18 -2.367 -8.027 6.121 1.00 0.00 C ATOM 286 ND1 HIS A 18 -1.897 -7.686 4.862 1.00 0.00 N ATOM 287 CD2 HIS A 18 -2.053 -9.352 6.292 1.00 0.00 C ATOM 288 CE1 HIS A 18 -1.332 -8.785 4.329 1.00 0.00 C ATOM 289 NE2 HIS A 18 -1.400 -9.829 5.159 1.00 0.00 N ATOM 0 H HIS A 18 -3.532 -4.724 7.421 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.031 -6.392 5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.359 -6.282 7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.457 -7.538 7.897 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.278 -9.936 7.172 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.879 -8.819 3.349 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.049 -10.773 4.997 1.00 0.00 H new ATOM 297 N PHE A 19 -6.168 -6.817 7.590 1.00 0.00 N ATOM 298 CA PHE A 19 -7.460 -7.492 7.901 1.00 0.00 C ATOM 299 C PHE A 19 -8.560 -6.984 6.960 1.00 0.00 C ATOM 300 O PHE A 19 -9.116 -7.735 6.181 1.00 0.00 O ATOM 301 CB PHE A 19 -7.754 -7.109 9.358 1.00 0.00 C ATOM 302 CG PHE A 19 -9.242 -7.147 9.620 1.00 0.00 C ATOM 303 CD1 PHE A 19 -10.028 -8.152 9.047 1.00 0.00 C ATOM 304 CD2 PHE A 19 -9.833 -6.171 10.430 1.00 0.00 C ATOM 305 CE1 PHE A 19 -11.407 -8.181 9.285 1.00 0.00 C ATOM 306 CE2 PHE A 19 -11.211 -6.200 10.669 1.00 0.00 C ATOM 307 CZ PHE A 19 -11.999 -7.205 10.096 1.00 0.00 C ATOM 0 H PHE A 19 -5.853 -6.143 8.288 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.416 -8.573 7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.241 -7.795 10.032 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.367 -6.111 9.564 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.571 -8.905 8.422 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.225 -5.395 10.871 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.015 -8.957 8.843 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.667 -5.447 11.295 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.063 -7.228 10.279 1.00 0.00 H new ATOM 317 N PHE A 20 -8.880 -5.720 7.034 1.00 0.00 N ATOM 318 CA PHE A 20 -9.949 -5.161 6.151 1.00 0.00 C ATOM 319 C PHE A 20 -9.855 -5.756 4.742 1.00 0.00 C ATOM 320 O PHE A 20 -10.836 -5.840 4.030 1.00 0.00 O ATOM 321 CB PHE A 20 -9.685 -3.656 6.111 1.00 0.00 C ATOM 322 CG PHE A 20 -10.994 -2.910 6.212 1.00 0.00 C ATOM 323 CD1 PHE A 20 -11.777 -2.717 5.069 1.00 0.00 C ATOM 324 CD2 PHE A 20 -11.424 -2.413 7.448 1.00 0.00 C ATOM 325 CE1 PHE A 20 -12.991 -2.026 5.161 1.00 0.00 C ATOM 326 CE2 PHE A 20 -12.638 -1.722 7.540 1.00 0.00 C ATOM 327 CZ PHE A 20 -13.421 -1.528 6.397 1.00 0.00 C ATOM 0 H PHE A 20 -8.448 -5.048 7.668 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.946 -5.395 6.524 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.027 -3.370 6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.174 -3.391 5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.445 -3.101 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.819 -2.563 8.330 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.596 -1.877 4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.970 -1.339 8.493 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.357 -0.994 6.468 1.00 0.00 H new ATOM 337 N LEU A 21 -8.686 -6.166 4.333 1.00 0.00 N ATOM 338 CA LEU A 21 -8.538 -6.750 2.968 1.00 0.00 C ATOM 339 C LEU A 21 -8.497 -8.278 3.040 1.00 0.00 C ATOM 340 O LEU A 21 -8.907 -8.962 2.124 1.00 0.00 O ATOM 341 CB LEU A 21 -7.212 -6.201 2.443 1.00 0.00 C ATOM 342 CG LEU A 21 -7.433 -4.802 1.868 1.00 0.00 C ATOM 343 CD1 LEU A 21 -6.472 -3.817 2.533 1.00 0.00 C ATOM 344 CD2 LEU A 21 -7.176 -4.828 0.361 1.00 0.00 C ATOM 0 H LEU A 21 -7.828 -6.123 4.883 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.374 -6.490 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.477 -6.164 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.811 -6.862 1.675 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.459 -4.488 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.631 -2.820 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.654 -3.800 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.444 -4.128 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.333 -3.832 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.149 -5.142 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.862 -5.529 -0.113 1.00 0.00 H new ATOM 356 N SER A 22 -8.009 -8.821 4.123 1.00 0.00 N ATOM 357 CA SER A 22 -7.946 -10.306 4.249 1.00 0.00 C ATOM 358 C SER A 22 -9.242 -10.937 3.729 1.00 0.00 C ATOM 359 O SER A 22 -9.260 -12.070 3.293 1.00 0.00 O ATOM 360 CB SER A 22 -7.784 -10.571 5.746 1.00 0.00 C ATOM 361 OG SER A 22 -6.402 -10.685 6.056 1.00 0.00 O ATOM 0 H SER A 22 -7.652 -8.301 4.925 1.00 0.00 H new ATOM 0 HA SER A 22 -7.129 -10.735 3.669 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.232 -9.760 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.307 -11.486 6.024 1.00 0.00 H new ATOM 0 HG SER A 22 -5.977 -9.805 5.984 1.00 0.00 H new ATOM 367 N LYS A 23 -10.325 -10.210 3.774 1.00 0.00 N ATOM 368 CA LYS A 23 -11.619 -10.766 3.285 1.00 0.00 C ATOM 369 C LYS A 23 -11.419 -11.498 1.955 1.00 0.00 C ATOM 370 O LYS A 23 -12.151 -12.410 1.623 1.00 0.00 O ATOM 371 CB LYS A 23 -12.520 -9.546 3.097 1.00 0.00 C ATOM 372 CG LYS A 23 -13.023 -9.069 4.460 1.00 0.00 C ATOM 373 CD LYS A 23 -13.837 -7.786 4.283 1.00 0.00 C ATOM 374 CE LYS A 23 -14.797 -7.622 5.463 1.00 0.00 C ATOM 375 NZ LYS A 23 -16.156 -7.793 4.877 1.00 0.00 N ATOM 0 H LYS A 23 -10.370 -9.255 4.128 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.046 -11.490 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.969 -8.747 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.363 -9.799 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.637 -9.841 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.181 -8.889 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.170 -6.926 4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.396 -7.824 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.604 -8.366 6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.688 -6.642 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.872 -7.694 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.314 -7.067 4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.232 -8.737 4.447 1.00 0.00 H new ATOM 389 N LYS A 24 -10.437 -11.106 1.190 1.00 0.00 N ATOM 390 CA LYS A 24 -10.197 -11.781 -0.119 1.00 0.00 C ATOM 391 C LYS A 24 -11.346 -11.481 -1.084 1.00 0.00 C ATOM 392 O LYS A 24 -12.473 -11.878 -0.865 1.00 0.00 O ATOM 393 CB LYS A 24 -10.147 -13.276 0.206 1.00 0.00 C ATOM 394 CG LYS A 24 -9.285 -13.995 -0.832 1.00 0.00 C ATOM 395 CD LYS A 24 -8.069 -14.614 -0.144 1.00 0.00 C ATOM 396 CE LYS A 24 -8.535 -15.638 0.894 1.00 0.00 C ATOM 397 NZ LYS A 24 -9.454 -16.547 0.153 1.00 0.00 N ATOM 0 H LYS A 24 -9.791 -10.349 1.413 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.280 -11.438 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.736 -13.428 1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.154 -13.692 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.868 -14.770 -1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.963 -13.294 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.426 -15.095 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.476 -13.837 0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.692 -16.186 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.046 -15.153 1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.481 -17.473 0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.410 -16.138 0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.113 -16.665 -0.822 1.00 0.00 H new ATOM 411 N LYS A 25 -11.071 -10.781 -2.151 1.00 0.00 N ATOM 412 CA LYS A 25 -12.151 -10.456 -3.126 1.00 0.00 C ATOM 413 C LYS A 25 -11.603 -10.488 -4.555 1.00 0.00 C ATOM 414 O LYS A 25 -10.586 -11.094 -4.828 1.00 0.00 O ATOM 415 CB LYS A 25 -12.603 -9.043 -2.754 1.00 0.00 C ATOM 416 CG LYS A 25 -14.005 -9.099 -2.147 1.00 0.00 C ATOM 417 CD LYS A 25 -15.047 -8.902 -3.250 1.00 0.00 C ATOM 418 CE LYS A 25 -15.330 -7.408 -3.423 1.00 0.00 C ATOM 419 NZ LYS A 25 -16.299 -7.328 -4.552 1.00 0.00 N ATOM 0 H LYS A 25 -10.147 -10.421 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.973 -11.171 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.905 -8.602 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.603 -8.405 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.161 -10.058 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.115 -8.326 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.685 -9.325 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.966 -9.430 -2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.748 -6.977 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.417 -6.856 -3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.542 -6.333 -4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.871 -7.739 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.161 -7.856 -4.308 1.00 0.00 H new ATOM 433 N THR A 26 -12.270 -9.837 -5.467 1.00 0.00 N ATOM 434 CA THR A 26 -11.791 -9.824 -6.877 1.00 0.00 C ATOM 435 C THR A 26 -11.735 -8.384 -7.393 1.00 0.00 C ATOM 436 O THR A 26 -10.711 -7.917 -7.848 1.00 0.00 O ATOM 437 CB THR A 26 -12.822 -10.637 -7.660 1.00 0.00 C ATOM 438 OG1 THR A 26 -13.505 -11.511 -6.772 1.00 0.00 O ATOM 439 CG2 THR A 26 -12.115 -11.453 -8.742 1.00 0.00 C ATOM 0 H THR A 26 -13.128 -9.312 -5.296 1.00 0.00 H new ATOM 0 HA THR A 26 -10.789 -10.242 -6.979 1.00 0.00 H new ATOM 0 HB THR A 26 -13.539 -9.963 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.168 -12.032 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.851 -12.032 -9.300 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.592 -10.780 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.397 -12.129 -8.277 1.00 0.00 H new ATOM 447 N ASP A 27 -12.828 -7.675 -7.315 1.00 0.00 N ATOM 448 CA ASP A 27 -12.831 -6.262 -7.791 1.00 0.00 C ATOM 449 C ASP A 27 -11.708 -5.490 -7.097 1.00 0.00 C ATOM 450 O ASP A 27 -10.861 -4.894 -7.734 1.00 0.00 O ATOM 451 CB ASP A 27 -14.197 -5.707 -7.388 1.00 0.00 C ATOM 452 CG ASP A 27 -14.342 -4.276 -7.910 1.00 0.00 C ATOM 453 OD1 ASP A 27 -13.487 -3.463 -7.599 1.00 0.00 O ATOM 454 OD2 ASP A 27 -15.305 -4.018 -8.611 1.00 0.00 O ATOM 0 H ASP A 27 -13.716 -8.011 -6.944 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.668 -6.179 -8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.990 -6.335 -7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.302 -5.722 -6.303 1.00 0.00 H new ATOM 459 N GLU A 28 -11.689 -5.509 -5.791 1.00 0.00 N ATOM 460 CA GLU A 28 -10.615 -4.793 -5.048 1.00 0.00 C ATOM 461 C GLU A 28 -9.253 -5.367 -5.441 1.00 0.00 C ATOM 462 O GLU A 28 -8.344 -4.649 -5.804 1.00 0.00 O ATOM 463 CB GLU A 28 -10.907 -5.064 -3.572 1.00 0.00 C ATOM 464 CG GLU A 28 -11.491 -3.805 -2.927 1.00 0.00 C ATOM 465 CD GLU A 28 -10.411 -2.727 -2.838 1.00 0.00 C ATOM 466 OE1 GLU A 28 -9.598 -2.654 -3.746 1.00 0.00 O ATOM 467 OE2 GLU A 28 -10.414 -1.991 -1.865 1.00 0.00 O ATOM 0 H GLU A 28 -12.373 -5.991 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.593 -3.725 -5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.608 -5.893 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.992 -5.358 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.335 -3.441 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.871 -4.037 -1.932 1.00 0.00 H new ATOM 474 N LEU A 29 -9.113 -6.661 -5.378 1.00 0.00 N ATOM 475 CA LEU A 29 -7.818 -7.295 -5.753 1.00 0.00 C ATOM 476 C LEU A 29 -7.480 -6.976 -7.212 1.00 0.00 C ATOM 477 O LEU A 29 -6.358 -7.133 -7.649 1.00 0.00 O ATOM 478 CB LEU A 29 -8.053 -8.796 -5.575 1.00 0.00 C ATOM 479 CG LEU A 29 -6.936 -9.397 -4.722 1.00 0.00 C ATOM 480 CD1 LEU A 29 -5.578 -9.052 -5.336 1.00 0.00 C ATOM 481 CD2 LEU A 29 -7.017 -8.827 -3.305 1.00 0.00 C ATOM 0 H LEU A 29 -9.842 -7.310 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.987 -6.935 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.019 -8.968 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.084 -9.286 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.050 -10.480 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.783 -9.482 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.521 -9.459 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.461 -7.969 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.221 -9.254 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.904 -7.743 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.984 -9.076 -2.867 1.00 0.00 H new ATOM 493 N ARG A 30 -8.446 -6.539 -7.972 1.00 0.00 N ATOM 494 CA ARG A 30 -8.181 -6.224 -9.406 1.00 0.00 C ATOM 495 C ARG A 30 -7.618 -4.808 -9.564 1.00 0.00 C ATOM 496 O ARG A 30 -6.423 -4.608 -9.618 1.00 0.00 O ATOM 497 CB ARG A 30 -9.543 -6.337 -10.092 1.00 0.00 C ATOM 498 CG ARG A 30 -9.633 -7.671 -10.835 1.00 0.00 C ATOM 499 CD ARG A 30 -8.623 -7.688 -11.985 1.00 0.00 C ATOM 500 NE ARG A 30 -9.423 -7.376 -13.202 1.00 0.00 N ATOM 501 CZ ARG A 30 -9.087 -7.893 -14.354 1.00 0.00 C ATOM 502 NH1 ARG A 30 -9.129 -9.186 -14.527 1.00 0.00 N ATOM 503 NH2 ARG A 30 -8.708 -7.116 -15.332 1.00 0.00 N ATOM 0 H ARG A 30 -9.406 -6.386 -7.664 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.442 -6.898 -9.838 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.341 -6.266 -9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.680 -5.511 -10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.433 -8.495 -10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.642 -7.816 -11.222 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.835 -6.951 -11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.137 -8.660 -12.070 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.233 -6.759 -13.136 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.424 -9.793 -13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.867 -9.589 -15.427 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.674 -6.106 -15.197 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.446 -7.519 -16.231 1.00 0.00 H new ATOM 517 N ASN A 31 -8.473 -3.827 -9.656 1.00 0.00 N ATOM 518 CA ASN A 31 -7.991 -2.425 -9.833 1.00 0.00 C ATOM 519 C ASN A 31 -6.816 -2.121 -8.896 1.00 0.00 C ATOM 520 O ASN A 31 -5.946 -1.336 -9.217 1.00 0.00 O ATOM 521 CB ASN A 31 -9.197 -1.545 -9.491 1.00 0.00 C ATOM 522 CG ASN A 31 -9.376 -1.477 -7.972 1.00 0.00 C ATOM 523 OD1 ASN A 31 -9.591 -2.577 -7.303 1.00 0.00 O flip ATOM 524 ND2 ASN A 31 -9.320 -0.413 -7.389 1.00 0.00 N flip ATOM 0 H ASN A 31 -9.487 -3.934 -9.616 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.626 -2.249 -10.845 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.053 -0.543 -9.895 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.097 -1.949 -9.955 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.152 0.447 -7.912 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.441 -0.379 -6.377 1.00 0.00 H new ATOM 531 N LEU A 32 -6.787 -2.721 -7.738 1.00 0.00 N ATOM 532 CA LEU A 32 -5.671 -2.445 -6.786 1.00 0.00 C ATOM 533 C LEU A 32 -4.438 -3.292 -7.122 1.00 0.00 C ATOM 534 O LEU A 32 -3.397 -2.773 -7.474 1.00 0.00 O ATOM 535 CB LEU A 32 -6.223 -2.822 -5.412 1.00 0.00 C ATOM 536 CG LEU A 32 -5.800 -1.770 -4.386 1.00 0.00 C ATOM 537 CD1 LEU A 32 -6.387 -2.123 -3.019 1.00 0.00 C ATOM 538 CD2 LEU A 32 -4.274 -1.735 -4.294 1.00 0.00 C ATOM 0 H LEU A 32 -7.485 -3.389 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.349 -1.405 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.310 -2.890 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.852 -3.803 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.168 -0.792 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.085 -1.373 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.475 -2.147 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.020 -3.101 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.971 -0.986 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.906 -2.713 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.856 -1.481 -5.268 1.00 0.00 H new ATOM 550 N HIS A 33 -4.539 -4.589 -7.004 1.00 0.00 N ATOM 551 CA HIS A 33 -3.362 -5.457 -7.305 1.00 0.00 C ATOM 552 C HIS A 33 -2.888 -5.248 -8.745 1.00 0.00 C ATOM 553 O HIS A 33 -1.748 -5.508 -9.076 1.00 0.00 O ATOM 554 CB HIS A 33 -3.860 -6.886 -7.104 1.00 0.00 C ATOM 555 CG HIS A 33 -2.748 -7.729 -6.543 1.00 0.00 C ATOM 556 ND1 HIS A 33 -1.904 -8.472 -7.352 1.00 0.00 N ATOM 557 CD2 HIS A 33 -2.329 -7.954 -5.256 1.00 0.00 C ATOM 558 CE1 HIS A 33 -1.027 -9.104 -6.550 1.00 0.00 C ATOM 559 NE2 HIS A 33 -1.242 -8.823 -5.262 1.00 0.00 N ATOM 0 H HIS A 33 -5.382 -5.084 -6.713 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.512 -5.227 -6.663 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.714 -6.893 -6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.202 -7.300 -8.052 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.940 -8.530 -8.370 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.775 -7.522 -4.372 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.245 -9.759 -6.905 1.00 0.00 H new ATOM 567 N LYS A 34 -3.750 -4.785 -9.605 1.00 0.00 N ATOM 568 CA LYS A 34 -3.341 -4.568 -11.022 1.00 0.00 C ATOM 569 C LYS A 34 -2.671 -3.200 -11.185 1.00 0.00 C ATOM 570 O LYS A 34 -1.831 -3.012 -12.040 1.00 0.00 O ATOM 571 CB LYS A 34 -4.637 -4.638 -11.830 1.00 0.00 C ATOM 572 CG LYS A 34 -5.440 -3.352 -11.629 1.00 0.00 C ATOM 573 CD LYS A 34 -5.053 -2.333 -12.702 1.00 0.00 C ATOM 574 CE LYS A 34 -6.154 -1.277 -12.822 1.00 0.00 C ATOM 575 NZ LYS A 34 -5.465 -0.049 -13.312 1.00 0.00 N ATOM 0 H LYS A 34 -4.718 -4.547 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.616 -5.311 -11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.411 -4.775 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.227 -5.499 -11.516 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.507 -3.565 -11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.247 -2.942 -10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.106 -1.859 -12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.908 -2.834 -13.659 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.932 -1.596 -13.516 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.637 -1.101 -11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.545 0.703 -12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.461 -0.259 -13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.908 0.267 -14.198 1.00 0.00 H new ATOM 589 N LEU A 35 -3.038 -2.241 -10.381 1.00 0.00 N ATOM 590 CA LEU A 35 -2.414 -0.892 -10.509 1.00 0.00 C ATOM 591 C LEU A 35 -1.341 -0.697 -9.436 1.00 0.00 C ATOM 592 O LEU A 35 -0.188 -0.455 -9.732 1.00 0.00 O ATOM 593 CB LEU A 35 -3.563 0.095 -10.304 1.00 0.00 C ATOM 594 CG LEU A 35 -3.008 1.519 -10.227 1.00 0.00 C ATOM 595 CD1 LEU A 35 -3.100 2.178 -11.603 1.00 0.00 C ATOM 596 CD2 LEU A 35 -3.824 2.330 -9.219 1.00 0.00 C ATOM 0 H LEU A 35 -3.738 -2.331 -9.645 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.924 -0.755 -11.473 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.275 0.015 -11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.104 -0.146 -9.389 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.966 1.485 -9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.705 3.192 -11.548 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.519 1.601 -12.322 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.142 2.212 -11.921 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.429 3.344 -9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.866 2.363 -9.537 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.759 1.861 -8.237 1.00 0.00 H new ATOM 608 N LEU A 36 -1.714 -0.792 -8.191 1.00 0.00 N ATOM 609 CA LEU A 36 -0.721 -0.605 -7.094 1.00 0.00 C ATOM 610 C LEU A 36 0.412 -1.629 -7.213 1.00 0.00 C ATOM 611 O LEU A 36 1.574 -1.277 -7.271 1.00 0.00 O ATOM 612 CB LEU A 36 -1.510 -0.823 -5.803 1.00 0.00 C ATOM 613 CG LEU A 36 -0.710 -0.283 -4.618 1.00 0.00 C ATOM 614 CD1 LEU A 36 -0.975 1.217 -4.462 1.00 0.00 C ATOM 615 CD2 LEU A 36 -1.140 -1.010 -3.342 1.00 0.00 C ATOM 0 H LEU A 36 -2.666 -0.992 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.256 0.380 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.474 -0.319 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.714 -1.885 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 36 0.353 -0.447 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.404 1.601 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.672 1.737 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.038 1.382 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.571 -0.627 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.203 -0.844 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.953 -2.078 -3.451 1.00 0.00 H new ATOM 627 N TYR A 37 0.086 -2.893 -7.236 1.00 0.00 N ATOM 628 CA TYR A 37 1.151 -3.933 -7.335 1.00 0.00 C ATOM 629 C TYR A 37 1.414 -4.308 -8.797 1.00 0.00 C ATOM 630 O TYR A 37 2.284 -5.104 -9.092 1.00 0.00 O ATOM 631 CB TYR A 37 0.598 -5.129 -6.562 1.00 0.00 C ATOM 632 CG TYR A 37 0.362 -4.725 -5.128 1.00 0.00 C ATOM 633 CD1 TYR A 37 1.390 -4.855 -4.186 1.00 0.00 C ATOM 634 CD2 TYR A 37 -0.882 -4.216 -4.739 1.00 0.00 C ATOM 635 CE1 TYR A 37 1.172 -4.476 -2.857 1.00 0.00 C ATOM 636 CE2 TYR A 37 -1.100 -3.835 -3.411 1.00 0.00 C ATOM 637 CZ TYR A 37 -0.074 -3.964 -2.468 1.00 0.00 C ATOM 638 OH TYR A 37 -0.291 -3.586 -1.158 1.00 0.00 O ATOM 0 H TYR A 37 -0.868 -3.250 -7.191 1.00 0.00 H new ATOM 0 HA TYR A 37 2.103 -3.585 -6.933 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.333 -5.471 -7.014 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.299 -5.962 -6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.351 -5.248 -4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.675 -4.117 -5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.964 -4.578 -2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.060 -3.441 -3.113 1.00 0.00 H new ATOM 0 HH TYR A 37 0.460 -3.884 -0.603 1.00 0.00 H new ATOM 648 N ASN A 38 0.679 -3.744 -9.715 1.00 0.00 N ATOM 649 CA ASN A 38 0.903 -4.078 -11.152 1.00 0.00 C ATOM 650 C ASN A 38 0.964 -5.599 -11.339 1.00 0.00 C ATOM 651 O ASN A 38 1.822 -6.116 -12.026 1.00 0.00 O ATOM 652 CB ASN A 38 2.251 -3.441 -11.501 1.00 0.00 C ATOM 653 CG ASN A 38 2.323 -2.031 -10.909 1.00 0.00 C ATOM 654 OD1 ASN A 38 1.731 -1.108 -11.434 1.00 0.00 O ATOM 655 ND2 ASN A 38 3.027 -1.824 -9.830 1.00 0.00 N ATOM 0 H ASN A 38 -0.064 -3.069 -9.535 1.00 0.00 H new ATOM 0 HA ASN A 38 0.100 -3.711 -11.791 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.065 -4.052 -11.111 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.375 -3.398 -12.583 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.080 -0.888 -9.428 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.524 -2.598 -9.389 1.00 0.00 H new ATOM 662 N ARG A 39 0.060 -6.317 -10.727 1.00 0.00 N ATOM 663 CA ARG A 39 0.065 -7.804 -10.864 1.00 0.00 C ATOM 664 C ARG A 39 -1.367 -8.343 -10.773 1.00 0.00 C ATOM 665 O ARG A 39 -2.261 -7.651 -10.331 1.00 0.00 O ATOM 666 CB ARG A 39 0.904 -8.300 -9.684 1.00 0.00 C ATOM 667 CG ARG A 39 2.001 -9.236 -10.194 1.00 0.00 C ATOM 668 CD ARG A 39 3.373 -8.622 -9.911 1.00 0.00 C ATOM 669 NE ARG A 39 4.318 -9.772 -9.951 1.00 0.00 N ATOM 670 CZ ARG A 39 5.587 -9.583 -9.719 1.00 0.00 C ATOM 671 NH1 ARG A 39 6.275 -8.770 -10.472 1.00 0.00 N ATOM 672 NH2 ARG A 39 6.169 -10.210 -8.733 1.00 0.00 N ATOM 0 H ARG A 39 -0.682 -5.939 -10.138 1.00 0.00 H new ATOM 0 HA ARG A 39 0.469 -8.136 -11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.348 -7.454 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.270 -8.822 -8.968 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.919 -10.208 -9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.881 -9.404 -11.264 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.632 -7.871 -10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.393 -8.127 -8.940 1.00 0.00 H new ATOM 0 HE ARG A 39 3.972 -10.709 -10.160 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.820 -8.281 -11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.268 -8.623 -10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.631 -10.847 -8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.162 -10.063 -8.550 1.00 0.00 H new ATOM 686 N PRO A 40 -1.537 -9.569 -11.197 1.00 0.00 N ATOM 687 CA PRO A 40 -2.878 -10.206 -11.159 1.00 0.00 C ATOM 688 C PRO A 40 -3.276 -10.513 -9.714 1.00 0.00 C ATOM 689 O PRO A 40 -4.426 -10.399 -9.337 1.00 0.00 O ATOM 690 CB PRO A 40 -2.687 -11.492 -11.962 1.00 0.00 C ATOM 691 CG PRO A 40 -1.226 -11.792 -11.865 1.00 0.00 C ATOM 692 CD PRO A 40 -0.514 -10.470 -11.741 1.00 0.00 C ATOM 0 HA PRO A 40 -3.669 -9.574 -11.564 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.286 -12.306 -11.553 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.995 -11.360 -12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.018 -12.425 -11.002 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.884 -12.333 -12.747 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.349 -10.541 -11.079 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.147 -10.122 -12.706 1.00 0.00 H new ATOM 700 N GLY A 41 -2.333 -10.895 -8.900 1.00 0.00 N ATOM 701 CA GLY A 41 -2.653 -11.201 -7.478 1.00 0.00 C ATOM 702 C GLY A 41 -3.482 -12.482 -7.394 1.00 0.00 C ATOM 703 O GLY A 41 -4.501 -12.620 -8.040 1.00 0.00 O ATOM 0 H GLY A 41 -1.353 -11.009 -9.158 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.732 -11.315 -6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.203 -10.372 -7.034 1.00 0.00 H new ATOM 707 N THR A 42 -3.051 -13.416 -6.594 1.00 0.00 N ATOM 708 CA THR A 42 -3.810 -14.692 -6.453 1.00 0.00 C ATOM 709 C THR A 42 -4.118 -14.952 -4.974 1.00 0.00 C ATOM 710 O THR A 42 -5.094 -14.466 -4.440 1.00 0.00 O ATOM 711 CB THR A 42 -2.879 -15.767 -7.018 1.00 0.00 C ATOM 712 OG1 THR A 42 -2.652 -15.519 -8.399 1.00 0.00 O ATOM 713 CG2 THR A 42 -3.522 -17.143 -6.842 1.00 0.00 C ATOM 0 H THR A 42 -2.204 -13.352 -6.030 1.00 0.00 H new ATOM 0 HA THR A 42 -4.766 -14.675 -6.976 1.00 0.00 H new ATOM 0 HB THR A 42 -1.928 -15.742 -6.485 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.054 -16.206 -8.761 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.859 -17.909 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.693 -17.332 -5.782 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.473 -17.171 -7.374 1.00 0.00 H new ATOM 721 N VAL A 43 -3.287 -15.705 -4.303 1.00 0.00 N ATOM 722 CA VAL A 43 -3.528 -15.980 -2.858 1.00 0.00 C ATOM 723 C VAL A 43 -2.345 -15.455 -2.040 1.00 0.00 C ATOM 724 O VAL A 43 -2.471 -14.518 -1.273 1.00 0.00 O ATOM 725 CB VAL A 43 -3.641 -17.508 -2.757 1.00 0.00 C ATOM 726 CG1 VAL A 43 -3.270 -17.972 -1.345 1.00 0.00 C ATOM 727 CG2 VAL A 43 -5.080 -17.932 -3.062 1.00 0.00 C ATOM 0 H VAL A 43 -2.452 -16.141 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.424 -15.493 -2.473 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.958 -17.962 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.354 -19.057 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.246 -17.674 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.946 -17.515 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.163 -19.017 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.756 -17.469 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.348 -17.613 -4.069 1.00 0.00 H new ATOM 737 N SER A 44 -1.193 -16.044 -2.209 1.00 0.00 N ATOM 738 CA SER A 44 0.003 -15.575 -1.455 1.00 0.00 C ATOM 739 C SER A 44 0.450 -14.212 -1.990 1.00 0.00 C ATOM 740 O SER A 44 1.275 -13.543 -1.400 1.00 0.00 O ATOM 741 CB SER A 44 1.075 -16.632 -1.717 1.00 0.00 C ATOM 742 OG SER A 44 2.292 -16.228 -1.104 1.00 0.00 O ATOM 0 H SER A 44 -1.029 -16.830 -2.837 1.00 0.00 H new ATOM 0 HA SER A 44 -0.195 -15.454 -0.390 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.757 -17.596 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.220 -16.762 -2.790 1.00 0.00 H new ATOM 0 HG SER A 44 2.318 -15.250 -1.041 1.00 0.00 H new ATOM 748 N SER A 45 -0.098 -13.793 -3.099 1.00 0.00 N ATOM 749 CA SER A 45 0.285 -12.472 -3.669 1.00 0.00 C ATOM 750 C SER A 45 -0.676 -11.405 -3.155 1.00 0.00 C ATOM 751 O SER A 45 -0.283 -10.462 -2.497 1.00 0.00 O ATOM 752 CB SER A 45 0.148 -12.638 -5.182 1.00 0.00 C ATOM 753 OG SER A 45 -0.708 -13.739 -5.457 1.00 0.00 O ATOM 0 H SER A 45 -0.795 -14.310 -3.634 1.00 0.00 H new ATOM 0 HA SER A 45 1.293 -12.166 -3.390 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.257 -11.728 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.127 -12.802 -5.632 1.00 0.00 H new ATOM 0 HG SER A 45 -0.557 -14.050 -6.374 1.00 0.00 H new ATOM 759 N LEU A 46 -1.937 -11.555 -3.442 1.00 0.00 N ATOM 760 CA LEU A 46 -2.932 -10.561 -2.960 1.00 0.00 C ATOM 761 C LEU A 46 -2.674 -10.257 -1.479 1.00 0.00 C ATOM 762 O LEU A 46 -2.912 -9.163 -1.004 1.00 0.00 O ATOM 763 CB LEU A 46 -4.291 -11.245 -3.180 1.00 0.00 C ATOM 764 CG LEU A 46 -4.768 -11.942 -1.899 1.00 0.00 C ATOM 765 CD1 LEU A 46 -5.387 -10.909 -0.956 1.00 0.00 C ATOM 766 CD2 LEU A 46 -5.815 -13.000 -2.255 1.00 0.00 C ATOM 0 H LEU A 46 -2.322 -12.324 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.883 -9.605 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.028 -10.505 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.209 -11.974 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.920 -12.420 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.726 -11.404 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.642 -10.155 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.235 -10.431 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.155 -13.496 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.663 -12.522 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.374 -13.736 -2.927 1.00 0.00 H new ATOM 778 N LYS A 47 -2.188 -11.226 -0.751 1.00 0.00 N ATOM 779 CA LYS A 47 -1.909 -11.011 0.699 1.00 0.00 C ATOM 780 C LYS A 47 -0.551 -10.325 0.889 1.00 0.00 C ATOM 781 O LYS A 47 -0.475 -9.175 1.275 1.00 0.00 O ATOM 782 CB LYS A 47 -1.887 -12.416 1.303 1.00 0.00 C ATOM 783 CG LYS A 47 -2.789 -12.458 2.538 1.00 0.00 C ATOM 784 CD LYS A 47 -3.624 -13.740 2.515 1.00 0.00 C ATOM 785 CE LYS A 47 -3.006 -14.768 3.465 1.00 0.00 C ATOM 786 NZ LYS A 47 -3.812 -16.007 3.273 1.00 0.00 N ATOM 0 H LYS A 47 -1.971 -12.160 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.653 -10.369 1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.227 -13.145 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.868 -12.690 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.185 -12.421 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.442 -11.586 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.650 -13.524 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.664 -14.142 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.956 -14.941 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.049 -14.426 4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.447 -16.758 3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.806 -15.815 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.746 -16.314 2.281 1.00 0.00 H new ATOM 800 N LYS A 48 0.521 -11.025 0.629 1.00 0.00 N ATOM 801 CA LYS A 48 1.875 -10.419 0.804 1.00 0.00 C ATOM 802 C LYS A 48 1.973 -9.080 0.066 1.00 0.00 C ATOM 803 O LYS A 48 2.794 -8.245 0.387 1.00 0.00 O ATOM 804 CB LYS A 48 2.845 -11.433 0.195 1.00 0.00 C ATOM 805 CG LYS A 48 4.285 -10.992 0.470 1.00 0.00 C ATOM 806 CD LYS A 48 4.872 -11.837 1.603 1.00 0.00 C ATOM 807 CE LYS A 48 6.386 -11.962 1.414 1.00 0.00 C ATOM 808 NZ LYS A 48 6.875 -12.617 2.660 1.00 0.00 N ATOM 0 H LYS A 48 0.518 -11.991 0.303 1.00 0.00 H new ATOM 0 HA LYS A 48 2.094 -10.214 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.669 -12.421 0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.677 -11.513 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.889 -11.103 -0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.308 -9.936 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.652 -11.377 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.413 -12.825 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.626 -12.558 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.849 -10.985 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.907 -12.738 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.638 -12.023 3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.422 -13.548 2.764 1.00 0.00 H new ATOM 822 N ASN A 49 1.150 -8.871 -0.924 1.00 0.00 N ATOM 823 CA ASN A 49 1.211 -7.586 -1.682 1.00 0.00 C ATOM 824 C ASN A 49 0.332 -6.525 -1.016 1.00 0.00 C ATOM 825 O ASN A 49 0.818 -5.521 -0.539 1.00 0.00 O ATOM 826 CB ASN A 49 0.683 -7.922 -3.076 1.00 0.00 C ATOM 827 CG ASN A 49 1.675 -8.841 -3.791 1.00 0.00 C ATOM 828 OD1 ASN A 49 1.882 -9.966 -3.383 1.00 0.00 O ATOM 829 ND2 ASN A 49 2.302 -8.405 -4.849 1.00 0.00 N ATOM 0 H ASN A 49 0.440 -9.531 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 49 2.222 -7.179 -1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.290 -8.408 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.538 -7.008 -3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.966 -9.009 -5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.128 -7.460 -5.192 1.00 0.00 H new ATOM 836 N VAL A 50 -0.957 -6.737 -0.988 1.00 0.00 N ATOM 837 CA VAL A 50 -1.877 -5.740 -0.363 1.00 0.00 C ATOM 838 C VAL A 50 -1.247 -5.127 0.893 1.00 0.00 C ATOM 839 O VAL A 50 -1.443 -3.965 1.192 1.00 0.00 O ATOM 840 CB VAL A 50 -3.129 -6.539 0.001 1.00 0.00 C ATOM 841 CG1 VAL A 50 -3.982 -5.738 0.989 1.00 0.00 C ATOM 842 CG2 VAL A 50 -3.943 -6.816 -1.265 1.00 0.00 C ATOM 0 H VAL A 50 -1.415 -7.563 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.096 -4.910 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.834 -7.483 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.874 -6.310 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.404 -5.540 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.276 -4.793 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.836 -7.386 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.236 -5.871 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.338 -7.389 -1.968 1.00 0.00 H new ATOM 852 N GLY A 51 -0.496 -5.896 1.635 1.00 0.00 N ATOM 853 CA GLY A 51 0.134 -5.350 2.871 1.00 0.00 C ATOM 854 C GLY A 51 1.647 -5.215 2.682 1.00 0.00 C ATOM 855 O GLY A 51 2.401 -5.213 3.633 1.00 0.00 O ATOM 0 H GLY A 51 -0.292 -6.876 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.298 -4.378 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.077 -6.007 3.715 1.00 0.00 H new ATOM 859 N GLN A 52 2.100 -5.093 1.466 1.00 0.00 N ATOM 860 CA GLN A 52 3.564 -4.950 1.231 1.00 0.00 C ATOM 861 C GLN A 52 3.826 -4.508 -0.211 1.00 0.00 C ATOM 862 O GLN A 52 4.356 -5.251 -1.013 1.00 0.00 O ATOM 863 CB GLN A 52 4.151 -6.338 1.485 1.00 0.00 C ATOM 864 CG GLN A 52 5.376 -6.213 2.395 1.00 0.00 C ATOM 865 CD GLN A 52 6.441 -7.223 1.965 1.00 0.00 C ATOM 866 OE1 GLN A 52 6.139 -8.370 1.706 1.00 0.00 O ATOM 867 NE2 GLN A 52 7.686 -6.841 1.878 1.00 0.00 N ATOM 0 H GLN A 52 1.521 -5.086 0.626 1.00 0.00 H new ATOM 0 HA GLN A 52 4.013 -4.198 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.404 -6.982 1.949 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.432 -6.805 0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.778 -5.201 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.091 -6.390 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.940 -5.877 2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.405 -7.506 1.592 1.00 0.00 H new ATOM 876 N PHE A 53 3.454 -3.305 -0.546 1.00 0.00 N ATOM 877 CA PHE A 53 3.680 -2.814 -1.936 1.00 0.00 C ATOM 878 C PHE A 53 5.083 -2.212 -2.064 1.00 0.00 C ATOM 879 O PHE A 53 5.988 -2.830 -2.588 1.00 0.00 O ATOM 880 CB PHE A 53 2.610 -1.743 -2.155 1.00 0.00 C ATOM 881 CG PHE A 53 2.856 -1.031 -3.466 1.00 0.00 C ATOM 882 CD1 PHE A 53 3.612 -1.645 -4.473 1.00 0.00 C ATOM 883 CD2 PHE A 53 2.325 0.248 -3.673 1.00 0.00 C ATOM 884 CE1 PHE A 53 3.835 -0.981 -5.686 1.00 0.00 C ATOM 885 CE2 PHE A 53 2.548 0.911 -4.886 1.00 0.00 C ATOM 886 CZ PHE A 53 3.303 0.297 -5.892 1.00 0.00 C ATOM 0 H PHE A 53 3.003 -2.639 0.082 1.00 0.00 H new ATOM 0 HA PHE A 53 3.612 -3.613 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.621 -2.200 -2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.626 -1.027 -1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.023 -2.631 -4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.743 0.723 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.417 -1.455 -6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.137 1.897 -5.045 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.475 0.809 -6.827 1.00 0.00 H new ATOM 896 N SER A 54 5.271 -1.009 -1.592 1.00 0.00 N ATOM 897 CA SER A 54 6.616 -0.371 -1.693 1.00 0.00 C ATOM 898 C SER A 54 7.097 0.093 -0.312 1.00 0.00 C ATOM 899 O SER A 54 8.276 0.273 -0.083 1.00 0.00 O ATOM 900 CB SER A 54 6.416 0.828 -2.618 1.00 0.00 C ATOM 901 OG SER A 54 7.320 1.860 -2.249 1.00 0.00 O ATOM 0 H SER A 54 4.553 -0.441 -1.142 1.00 0.00 H new ATOM 0 HA SER A 54 7.369 -1.062 -2.072 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.584 0.535 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.389 1.187 -2.551 1.00 0.00 H new ATOM 0 HG SER A 54 7.196 2.631 -2.841 1.00 0.00 H new ATOM 907 N GLY A 55 6.191 0.294 0.606 1.00 0.00 N ATOM 908 CA GLY A 55 6.595 0.752 1.966 1.00 0.00 C ATOM 909 C GLY A 55 5.741 1.956 2.363 1.00 0.00 C ATOM 910 O GLY A 55 6.241 2.957 2.838 1.00 0.00 O ATOM 0 H GLY A 55 5.189 0.161 0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.466 -0.055 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.651 1.021 1.974 1.00 0.00 H new ATOM 914 N PHE A 56 4.455 1.866 2.164 1.00 0.00 N ATOM 915 CA PHE A 56 3.555 3.001 2.518 1.00 0.00 C ATOM 916 C PHE A 56 3.988 3.643 3.842 1.00 0.00 C ATOM 917 O PHE A 56 4.236 4.832 3.898 1.00 0.00 O ATOM 918 CB PHE A 56 2.164 2.374 2.642 1.00 0.00 C ATOM 919 CG PHE A 56 1.512 2.280 1.278 1.00 0.00 C ATOM 920 CD1 PHE A 56 2.271 2.468 0.115 1.00 0.00 C ATOM 921 CD2 PHE A 56 0.144 2.001 1.180 1.00 0.00 C ATOM 922 CE1 PHE A 56 1.661 2.377 -1.143 1.00 0.00 C ATOM 923 CE2 PHE A 56 -0.465 1.911 -0.077 1.00 0.00 C ATOM 924 CZ PHE A 56 0.293 2.099 -1.238 1.00 0.00 C ATOM 0 H PHE A 56 3.986 1.051 1.769 1.00 0.00 H new ATOM 0 HA PHE A 56 3.579 3.795 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.242 1.381 3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.545 2.973 3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.327 2.683 0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.442 1.855 2.075 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.246 2.521 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.521 1.696 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.178 2.030 -2.207 1.00 0.00 H new ATOM 934 N PRO A 57 4.070 2.838 4.869 1.00 0.00 N ATOM 935 CA PRO A 57 4.485 3.347 6.201 1.00 0.00 C ATOM 936 C PRO A 57 5.978 3.695 6.200 1.00 0.00 C ATOM 937 O PRO A 57 6.734 3.212 7.020 1.00 0.00 O ATOM 938 CB PRO A 57 4.206 2.170 7.135 1.00 0.00 C ATOM 939 CG PRO A 57 4.265 0.964 6.256 1.00 0.00 C ATOM 940 CD PRO A 57 3.788 1.396 4.895 1.00 0.00 C ATOM 0 HA PRO A 57 3.960 4.256 6.495 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.946 2.114 7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.230 2.265 7.611 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.281 0.573 6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.636 0.166 6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.317 0.870 4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.726 1.193 4.760 1.00 0.00 H new ATOM 948 N PHE A 58 6.412 4.524 5.288 1.00 0.00 N ATOM 949 CA PHE A 58 7.861 4.884 5.252 1.00 0.00 C ATOM 950 C PHE A 58 8.114 6.236 5.941 1.00 0.00 C ATOM 951 O PHE A 58 7.881 6.382 7.126 1.00 0.00 O ATOM 952 CB PHE A 58 8.258 4.914 3.765 1.00 0.00 C ATOM 953 CG PHE A 58 7.199 5.587 2.907 1.00 0.00 C ATOM 954 CD1 PHE A 58 6.467 6.689 3.382 1.00 0.00 C ATOM 955 CD2 PHE A 58 6.963 5.104 1.613 1.00 0.00 C ATOM 956 CE1 PHE A 58 5.506 7.296 2.563 1.00 0.00 C ATOM 957 CE2 PHE A 58 6.004 5.715 0.796 1.00 0.00 C ATOM 958 CZ PHE A 58 5.276 6.811 1.271 1.00 0.00 C ATOM 0 H PHE A 58 5.833 4.964 4.573 1.00 0.00 H new ATOM 0 HA PHE A 58 8.465 4.159 5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.205 5.442 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.418 3.895 3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.645 7.068 4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.523 4.257 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.941 8.140 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.826 5.340 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.537 7.283 0.641 1.00 0.00 H new ATOM 968 N GLU A 59 8.590 7.225 5.229 1.00 0.00 N ATOM 969 CA GLU A 59 8.854 8.544 5.873 1.00 0.00 C ATOM 970 C GLU A 59 7.898 9.608 5.323 1.00 0.00 C ATOM 971 O GLU A 59 6.897 9.299 4.707 1.00 0.00 O ATOM 972 CB GLU A 59 10.298 8.881 5.501 1.00 0.00 C ATOM 973 CG GLU A 59 11.035 9.412 6.731 1.00 0.00 C ATOM 974 CD GLU A 59 12.542 9.397 6.467 1.00 0.00 C ATOM 975 OE1 GLU A 59 12.995 8.491 5.789 1.00 0.00 O ATOM 976 OE2 GLU A 59 13.216 10.294 6.946 1.00 0.00 O ATOM 0 H GLU A 59 8.806 7.176 4.233 1.00 0.00 H new ATOM 0 HA GLU A 59 8.704 8.512 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.802 7.994 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.315 9.626 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.704 10.426 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.801 8.799 7.601 1.00 0.00 H new ATOM 983 N LYS A 60 8.201 10.859 5.543 1.00 0.00 N ATOM 984 CA LYS A 60 7.312 11.945 5.037 1.00 0.00 C ATOM 985 C LYS A 60 8.108 13.242 4.861 1.00 0.00 C ATOM 986 O LYS A 60 9.122 13.450 5.499 1.00 0.00 O ATOM 987 CB LYS A 60 6.241 12.115 6.116 1.00 0.00 C ATOM 988 CG LYS A 60 5.512 13.445 5.908 1.00 0.00 C ATOM 989 CD LYS A 60 4.388 13.578 6.937 1.00 0.00 C ATOM 990 CE LYS A 60 4.991 13.853 8.318 1.00 0.00 C ATOM 991 NZ LYS A 60 5.275 12.508 8.897 1.00 0.00 N ATOM 0 H LYS A 60 9.026 11.176 6.052 1.00 0.00 H new ATOM 0 HA LYS A 60 6.878 11.705 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.531 11.289 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.699 12.090 7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.212 14.275 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.103 13.494 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.715 14.388 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.794 12.664 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.901 14.447 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.298 14.413 8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.864 12.447 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.856 11.774 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.304 12.365 8.954 1.00 0.00 H new ATOM 1005 N GLY A 61 7.657 14.114 4.002 1.00 0.00 N ATOM 1006 CA GLY A 61 8.386 15.396 3.788 1.00 0.00 C ATOM 1007 C GLY A 61 9.456 15.204 2.710 1.00 0.00 C ATOM 1008 O GLY A 61 10.396 15.967 2.611 1.00 0.00 O ATOM 0 H GLY A 61 6.815 13.994 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.688 16.177 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.848 15.723 4.719 1.00 0.00 H new ATOM 1012 N SER A 62 9.320 14.189 1.902 1.00 0.00 N ATOM 1013 CA SER A 62 10.328 13.946 0.830 1.00 0.00 C ATOM 1014 C SER A 62 9.648 13.904 -0.543 1.00 0.00 C ATOM 1015 O SER A 62 8.442 13.822 -0.648 1.00 0.00 O ATOM 1016 CB SER A 62 10.943 12.587 1.163 1.00 0.00 C ATOM 1017 OG SER A 62 11.318 11.933 -0.042 1.00 0.00 O ATOM 0 H SER A 62 8.554 13.516 1.937 1.00 0.00 H new ATOM 0 HA SER A 62 11.079 14.735 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.814 12.717 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.228 11.977 1.714 1.00 0.00 H new ATOM 0 HG SER A 62 11.268 10.962 0.083 1.00 0.00 H new ATOM 1023 N VAL A 63 10.413 13.961 -1.595 1.00 0.00 N ATOM 1024 CA VAL A 63 9.812 13.924 -2.960 1.00 0.00 C ATOM 1025 C VAL A 63 8.748 12.825 -3.047 1.00 0.00 C ATOM 1026 O VAL A 63 7.672 13.030 -3.574 1.00 0.00 O ATOM 1027 CB VAL A 63 10.981 13.614 -3.896 1.00 0.00 C ATOM 1028 CG1 VAL A 63 10.461 13.424 -5.321 1.00 0.00 C ATOM 1029 CG2 VAL A 63 11.976 14.776 -3.864 1.00 0.00 C ATOM 0 H VAL A 63 11.430 14.032 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 63 9.317 14.861 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 63 11.477 12.700 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.296 13.203 -5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.751 12.597 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.965 14.336 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 63 12.811 14.559 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.479 15.689 -4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.348 14.909 -2.848 1.00 0.00 H new ATOM 1039 N GLN A 64 9.041 11.662 -2.537 1.00 0.00 N ATOM 1040 CA GLN A 64 8.049 10.548 -2.592 1.00 0.00 C ATOM 1041 C GLN A 64 6.762 10.949 -1.868 1.00 0.00 C ATOM 1042 O GLN A 64 5.672 10.595 -2.273 1.00 0.00 O ATOM 1043 CB GLN A 64 8.727 9.384 -1.869 1.00 0.00 C ATOM 1044 CG GLN A 64 8.792 9.693 -0.372 1.00 0.00 C ATOM 1045 CD GLN A 64 9.722 8.691 0.317 1.00 0.00 C ATOM 1046 OE1 GLN A 64 10.895 8.953 0.493 1.00 0.00 O ATOM 1047 NE2 GLN A 64 9.242 7.546 0.717 1.00 0.00 N ATOM 0 H GLN A 64 9.925 11.433 -2.083 1.00 0.00 H new ATOM 0 HA GLN A 64 7.771 10.291 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.172 8.462 -2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.731 9.229 -2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.154 10.709 -0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.795 9.639 0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.257 7.326 0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.852 6.870 1.178 1.00 0.00 H new ATOM 1056 N TYR A 65 6.884 11.686 -0.800 1.00 0.00 N ATOM 1057 CA TYR A 65 5.673 12.115 -0.045 1.00 0.00 C ATOM 1058 C TYR A 65 4.822 13.041 -0.919 1.00 0.00 C ATOM 1059 O TYR A 65 3.774 12.661 -1.401 1.00 0.00 O ATOM 1060 CB TYR A 65 6.228 12.853 1.176 1.00 0.00 C ATOM 1061 CG TYR A 65 5.195 13.804 1.728 1.00 0.00 C ATOM 1062 CD1 TYR A 65 3.984 13.314 2.229 1.00 0.00 C ATOM 1063 CD2 TYR A 65 5.457 15.177 1.742 1.00 0.00 C ATOM 1064 CE1 TYR A 65 3.033 14.202 2.746 1.00 0.00 C ATOM 1065 CE2 TYR A 65 4.507 16.065 2.256 1.00 0.00 C ATOM 1066 CZ TYR A 65 3.294 15.579 2.759 1.00 0.00 C ATOM 1067 OH TYR A 65 2.357 16.453 3.268 1.00 0.00 O ATOM 0 H TYR A 65 7.771 12.011 -0.416 1.00 0.00 H new ATOM 0 HA TYR A 65 5.029 11.285 0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.517 12.135 1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.127 13.403 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.783 12.253 2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.393 15.552 1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.098 13.826 3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.709 17.126 2.265 1.00 0.00 H new ATOM 0 HH TYR A 65 2.696 17.370 3.203 1.00 0.00 H new ATOM 1077 N LYS A 66 5.272 14.246 -1.137 1.00 0.00 N ATOM 1078 CA LYS A 66 4.494 15.185 -1.996 1.00 0.00 C ATOM 1079 C LYS A 66 4.002 14.432 -3.238 1.00 0.00 C ATOM 1080 O LYS A 66 2.848 14.517 -3.622 1.00 0.00 O ATOM 1081 CB LYS A 66 5.495 16.293 -2.359 1.00 0.00 C ATOM 1082 CG LYS A 66 5.210 16.841 -3.761 1.00 0.00 C ATOM 1083 CD LYS A 66 6.108 16.125 -4.772 1.00 0.00 C ATOM 1084 CE LYS A 66 7.188 17.089 -5.267 1.00 0.00 C ATOM 1085 NZ LYS A 66 7.539 16.605 -6.631 1.00 0.00 N ATOM 0 H LYS A 66 6.142 14.621 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 66 3.611 15.599 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.433 17.099 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.511 15.901 -2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.161 16.691 -4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.394 17.915 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.569 15.252 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.514 15.766 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.819 18.114 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.057 17.080 -4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.275 17.217 -7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.893 15.629 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.694 16.631 -7.237 1.00 0.00 H new ATOM 1099 N LYS A 67 4.871 13.679 -3.855 1.00 0.00 N ATOM 1100 CA LYS A 67 4.460 12.902 -5.056 1.00 0.00 C ATOM 1101 C LYS A 67 3.173 12.141 -4.747 1.00 0.00 C ATOM 1102 O LYS A 67 2.152 12.348 -5.373 1.00 0.00 O ATOM 1103 CB LYS A 67 5.614 11.933 -5.315 1.00 0.00 C ATOM 1104 CG LYS A 67 6.763 12.681 -5.992 1.00 0.00 C ATOM 1105 CD LYS A 67 6.388 12.986 -7.442 1.00 0.00 C ATOM 1106 CE LYS A 67 7.654 13.020 -8.300 1.00 0.00 C ATOM 1107 NZ LYS A 67 7.178 12.818 -9.696 1.00 0.00 N ATOM 0 H LYS A 67 5.847 13.569 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 67 4.266 13.532 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.954 11.495 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.278 11.111 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.973 13.607 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.672 12.080 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.701 12.228 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.870 13.943 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.177 13.971 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.353 12.238 -8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.991 12.829 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.690 11.902 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.520 13.581 -9.952 1.00 0.00 H new ATOM 1121 N LYS A 68 3.215 11.266 -3.776 1.00 0.00 N ATOM 1122 CA LYS A 68 1.995 10.495 -3.409 1.00 0.00 C ATOM 1123 C LYS A 68 0.775 11.416 -3.436 1.00 0.00 C ATOM 1124 O LYS A 68 -0.189 11.159 -4.119 1.00 0.00 O ATOM 1125 CB LYS A 68 2.256 9.994 -1.986 1.00 0.00 C ATOM 1126 CG LYS A 68 2.687 8.528 -2.028 1.00 0.00 C ATOM 1127 CD LYS A 68 2.340 7.856 -0.698 1.00 0.00 C ATOM 1128 CE LYS A 68 2.781 6.392 -0.734 1.00 0.00 C ATOM 1129 NZ LYS A 68 1.956 5.770 -1.807 1.00 0.00 N ATOM 0 H LYS A 68 4.044 11.053 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 68 1.796 9.674 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.031 10.598 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.356 10.101 -1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.187 8.014 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.759 8.458 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.834 8.375 0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.267 7.919 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.845 6.305 -0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.613 5.905 0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.980 4.735 -1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.974 6.103 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.337 6.037 -2.737 1.00 0.00 H new ATOM 1143 N GLU A 69 0.817 12.492 -2.701 1.00 0.00 N ATOM 1144 CA GLU A 69 -0.338 13.437 -2.680 1.00 0.00 C ATOM 1145 C GLU A 69 -0.935 13.604 -4.083 1.00 0.00 C ATOM 1146 O GLU A 69 -2.138 13.611 -4.256 1.00 0.00 O ATOM 1147 CB GLU A 69 0.247 14.762 -2.188 1.00 0.00 C ATOM 1148 CG GLU A 69 -0.511 15.221 -0.942 1.00 0.00 C ATOM 1149 CD GLU A 69 -0.962 16.672 -1.124 1.00 0.00 C ATOM 1150 OE1 GLU A 69 -1.815 16.905 -1.965 1.00 0.00 O ATOM 1151 OE2 GLU A 69 -0.448 17.525 -0.420 1.00 0.00 O ATOM 0 H GLU A 69 1.605 12.760 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.145 13.077 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.306 14.642 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.174 15.517 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.375 14.579 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.127 15.135 -0.063 1.00 0.00 H new ATOM 1158 N GLU A 70 -0.108 13.754 -5.083 1.00 0.00 N ATOM 1159 CA GLU A 70 -0.638 13.936 -6.470 1.00 0.00 C ATOM 1160 C GLU A 70 -1.275 12.642 -6.999 1.00 0.00 C ATOM 1161 O GLU A 70 -2.474 12.571 -7.218 1.00 0.00 O ATOM 1162 CB GLU A 70 0.583 14.311 -7.311 1.00 0.00 C ATOM 1163 CG GLU A 70 0.174 15.317 -8.388 1.00 0.00 C ATOM 1164 CD GLU A 70 -0.227 16.638 -7.729 1.00 0.00 C ATOM 1165 OE1 GLU A 70 0.657 17.437 -7.463 1.00 0.00 O ATOM 1166 OE2 GLU A 70 -1.410 16.829 -7.502 1.00 0.00 O ATOM 0 H GLU A 70 0.909 13.759 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.418 14.696 -6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.358 14.739 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.006 13.419 -7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.000 15.480 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.658 14.923 -8.972 1.00 0.00 H new ATOM 1173 N MET A 71 -0.487 11.622 -7.215 1.00 0.00 N ATOM 1174 CA MET A 71 -1.048 10.342 -7.740 1.00 0.00 C ATOM 1175 C MET A 71 -2.204 9.873 -6.856 1.00 0.00 C ATOM 1176 O MET A 71 -3.211 9.391 -7.334 1.00 0.00 O ATOM 1177 CB MET A 71 0.112 9.347 -7.682 1.00 0.00 C ATOM 1178 CG MET A 71 1.264 9.853 -8.551 1.00 0.00 C ATOM 1179 SD MET A 71 2.546 8.581 -8.661 1.00 0.00 S ATOM 1180 CE MET A 71 3.927 9.604 -8.097 1.00 0.00 C ATOM 0 H MET A 71 0.520 11.620 -7.051 1.00 0.00 H new ATOM 0 HA MET A 71 -1.443 10.446 -8.751 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.447 9.223 -6.652 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.217 8.368 -8.030 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.899 10.103 -9.547 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.680 10.767 -8.126 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.792 8.971 -7.900 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.179 10.332 -8.868 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.644 10.126 -7.183 1.00 0.00 H new ATOM 1190 N LEU A 72 -2.067 10.017 -5.570 1.00 0.00 N ATOM 1191 CA LEU A 72 -3.157 9.590 -4.652 1.00 0.00 C ATOM 1192 C LEU A 72 -4.360 10.516 -4.811 1.00 0.00 C ATOM 1193 O LEU A 72 -5.467 10.152 -4.494 1.00 0.00 O ATOM 1194 CB LEU A 72 -2.573 9.684 -3.244 1.00 0.00 C ATOM 1195 CG LEU A 72 -1.795 8.400 -2.939 1.00 0.00 C ATOM 1196 CD1 LEU A 72 -0.371 8.751 -2.508 1.00 0.00 C ATOM 1197 CD2 LEU A 72 -2.490 7.630 -1.813 1.00 0.00 C ATOM 0 H LEU A 72 -1.245 10.413 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.503 8.579 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.915 10.550 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.371 9.823 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.762 7.781 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.180 7.836 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.129 9.294 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.405 9.374 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.934 6.717 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.528 8.250 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.504 7.373 -2.120 1.00 0.00 H new ATOM 1209 N LYS A 73 -4.153 11.709 -5.302 1.00 0.00 N ATOM 1210 CA LYS A 73 -5.303 12.645 -5.487 1.00 0.00 C ATOM 1211 C LYS A 73 -6.224 12.109 -6.590 1.00 0.00 C ATOM 1212 O LYS A 73 -7.335 11.672 -6.337 1.00 0.00 O ATOM 1213 CB LYS A 73 -4.677 13.974 -5.909 1.00 0.00 C ATOM 1214 CG LYS A 73 -5.761 15.053 -5.952 1.00 0.00 C ATOM 1215 CD LYS A 73 -5.203 16.317 -6.609 1.00 0.00 C ATOM 1216 CE LYS A 73 -5.963 16.595 -7.908 1.00 0.00 C ATOM 1217 NZ LYS A 73 -5.471 15.567 -8.868 1.00 0.00 N ATOM 0 H LYS A 73 -3.243 12.075 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.903 12.755 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.892 14.258 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.209 13.874 -6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.625 14.692 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.105 15.278 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.299 17.165 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.140 16.193 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.040 16.514 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.766 17.603 -8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.814 15.792 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.431 15.560 -8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.824 14.631 -8.585 1.00 0.00 H new ATOM 1231 N LYS A 74 -5.770 12.115 -7.815 1.00 0.00 N ATOM 1232 CA LYS A 74 -6.630 11.579 -8.910 1.00 0.00 C ATOM 1233 C LYS A 74 -7.221 10.244 -8.454 1.00 0.00 C ATOM 1234 O LYS A 74 -8.417 10.008 -8.525 1.00 0.00 O ATOM 1235 CB LYS A 74 -5.686 11.382 -10.098 1.00 0.00 C ATOM 1236 CG LYS A 74 -6.472 10.848 -11.297 1.00 0.00 C ATOM 1237 CD LYS A 74 -5.501 10.254 -12.319 1.00 0.00 C ATOM 1238 CE LYS A 74 -4.594 11.360 -12.868 1.00 0.00 C ATOM 1239 NZ LYS A 74 -5.384 12.011 -13.953 1.00 0.00 N ATOM 0 H LYS A 74 -4.855 12.462 -8.102 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.458 12.238 -9.172 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.208 12.327 -10.356 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.891 10.685 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.183 10.089 -10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.051 11.651 -11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.899 9.474 -11.853 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.055 9.786 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.330 12.076 -12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.661 10.949 -13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.780 12.686 -14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.730 11.286 -14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.193 12.516 -13.538 1.00 0.00 H new ATOM 1253 N PHE A 75 -6.387 9.377 -7.953 1.00 0.00 N ATOM 1254 CA PHE A 75 -6.886 8.070 -7.458 1.00 0.00 C ATOM 1255 C PHE A 75 -7.738 8.301 -6.212 1.00 0.00 C ATOM 1256 O PHE A 75 -8.602 7.520 -5.885 1.00 0.00 O ATOM 1257 CB PHE A 75 -5.633 7.269 -7.108 1.00 0.00 C ATOM 1258 CG PHE A 75 -5.245 6.403 -8.283 1.00 0.00 C ATOM 1259 CD1 PHE A 75 -6.149 5.461 -8.788 1.00 0.00 C ATOM 1260 CD2 PHE A 75 -3.981 6.543 -8.870 1.00 0.00 C ATOM 1261 CE1 PHE A 75 -5.791 4.660 -9.878 1.00 0.00 C ATOM 1262 CE2 PHE A 75 -3.622 5.741 -9.959 1.00 0.00 C ATOM 1263 CZ PHE A 75 -4.528 4.801 -10.464 1.00 0.00 C ATOM 0 H PHE A 75 -5.381 9.519 -7.866 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.502 7.548 -8.190 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.816 7.944 -6.855 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.818 6.649 -6.231 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.124 5.352 -8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.283 7.270 -8.482 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.489 3.933 -10.267 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.646 5.847 -10.410 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.252 4.184 -11.306 1.00 0.00 H new ATOM 1273 N ARG A 76 -7.507 9.376 -5.511 1.00 0.00 N ATOM 1274 CA ARG A 76 -8.322 9.636 -4.296 1.00 0.00 C ATOM 1275 C ARG A 76 -9.786 9.416 -4.647 1.00 0.00 C ATOM 1276 O ARG A 76 -10.489 8.687 -3.991 1.00 0.00 O ATOM 1277 CB ARG A 76 -8.032 11.096 -3.895 1.00 0.00 C ATOM 1278 CG ARG A 76 -9.151 12.046 -4.353 1.00 0.00 C ATOM 1279 CD ARG A 76 -8.937 13.423 -3.722 1.00 0.00 C ATOM 1280 NE ARG A 76 -9.971 14.296 -4.346 1.00 0.00 N ATOM 1281 CZ ARG A 76 -9.658 15.055 -5.360 1.00 0.00 C ATOM 1282 NH1 ARG A 76 -9.051 16.194 -5.161 1.00 0.00 N ATOM 1283 NH2 ARG A 76 -9.950 14.676 -6.574 1.00 0.00 N ATOM 0 H ARG A 76 -6.798 10.077 -5.725 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.084 8.974 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.921 11.161 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.085 11.412 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.152 12.128 -5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.123 11.648 -4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.054 13.384 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.932 13.797 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.923 14.300 -3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.821 16.491 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.807 16.787 -5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.423 13.786 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.705 15.270 -7.366 1.00 0.00 H new ATOM 1297 N ASN A 77 -10.242 10.019 -5.702 1.00 0.00 N ATOM 1298 CA ASN A 77 -11.658 9.812 -6.100 1.00 0.00 C ATOM 1299 C ASN A 77 -11.845 8.379 -6.602 1.00 0.00 C ATOM 1300 O ASN A 77 -12.730 7.660 -6.166 1.00 0.00 O ATOM 1301 CB ASN A 77 -11.903 10.810 -7.232 1.00 0.00 C ATOM 1302 CG ASN A 77 -12.561 12.074 -6.674 1.00 0.00 C ATOM 1303 OD1 ASN A 77 -12.383 12.390 -5.420 1.00 0.00 O flip ATOM 1304 ND2 ASN A 77 -13.243 12.783 -7.387 1.00 0.00 N flip ATOM 0 H ASN A 77 -9.702 10.642 -6.303 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.351 9.961 -5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.960 11.063 -7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.542 10.362 -7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.383 12.537 -8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.676 13.624 -7.006 1.00 0.00 H new ATOM 1311 N ALA A 78 -11.016 7.956 -7.516 1.00 0.00 N ATOM 1312 CA ALA A 78 -11.156 6.569 -8.060 1.00 0.00 C ATOM 1313 C ALA A 78 -10.646 5.527 -7.057 1.00 0.00 C ATOM 1314 O ALA A 78 -11.412 4.781 -6.471 1.00 0.00 O ATOM 1315 CB ALA A 78 -10.306 6.556 -9.331 1.00 0.00 C ATOM 0 H ALA A 78 -10.251 8.504 -7.910 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.198 6.316 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.356 5.570 -9.792 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.684 7.302 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.271 6.787 -9.079 1.00 0.00 H new ATOM 1321 N MET A 79 -9.361 5.464 -6.866 1.00 0.00 N ATOM 1322 CA MET A 79 -8.790 4.470 -5.916 1.00 0.00 C ATOM 1323 C MET A 79 -9.635 4.376 -4.640 1.00 0.00 C ATOM 1324 O MET A 79 -10.130 3.319 -4.303 1.00 0.00 O ATOM 1325 CB MET A 79 -7.387 4.981 -5.594 1.00 0.00 C ATOM 1326 CG MET A 79 -6.687 3.987 -4.666 1.00 0.00 C ATOM 1327 SD MET A 79 -5.284 4.796 -3.859 1.00 0.00 S ATOM 1328 CE MET A 79 -4.078 3.474 -4.123 1.00 0.00 C ATOM 0 H MET A 79 -8.676 6.061 -7.329 1.00 0.00 H new ATOM 0 HA MET A 79 -8.773 3.469 -6.347 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.813 5.105 -6.512 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.444 5.961 -5.119 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.387 3.618 -3.917 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.344 3.123 -5.235 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.119 3.766 -3.695 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.428 2.561 -3.641 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.960 3.297 -5.192 1.00 0.00 H new ATOM 1338 N LEU A 80 -9.808 5.454 -3.915 1.00 0.00 N ATOM 1339 CA LEU A 80 -10.619 5.350 -2.668 1.00 0.00 C ATOM 1340 C LEU A 80 -11.918 4.611 -2.962 1.00 0.00 C ATOM 1341 O LEU A 80 -12.271 3.676 -2.273 1.00 0.00 O ATOM 1342 CB LEU A 80 -10.910 6.774 -2.212 1.00 0.00 C ATOM 1343 CG LEU A 80 -9.593 7.503 -1.943 1.00 0.00 C ATOM 1344 CD1 LEU A 80 -9.889 8.930 -1.477 1.00 0.00 C ATOM 1345 CD2 LEU A 80 -8.814 6.764 -0.853 1.00 0.00 C ATOM 0 H LEU A 80 -9.432 6.378 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.088 4.798 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.481 7.302 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.521 6.760 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.000 7.532 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.952 9.452 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.446 9.458 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.481 8.899 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.875 7.283 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.406 6.735 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.605 5.746 -1.182 1.00 0.00 H new ATOM 1357 N LYS A 81 -12.632 5.010 -3.988 1.00 0.00 N ATOM 1358 CA LYS A 81 -13.904 4.303 -4.317 1.00 0.00 C ATOM 1359 C LYS A 81 -13.723 2.797 -4.094 1.00 0.00 C ATOM 1360 O LYS A 81 -14.357 2.202 -3.242 1.00 0.00 O ATOM 1361 CB LYS A 81 -14.155 4.603 -5.796 1.00 0.00 C ATOM 1362 CG LYS A 81 -15.650 4.843 -6.021 1.00 0.00 C ATOM 1363 CD LYS A 81 -15.882 6.309 -6.392 1.00 0.00 C ATOM 1364 CE LYS A 81 -15.359 7.210 -5.271 1.00 0.00 C ATOM 1365 NZ LYS A 81 -15.392 8.586 -5.838 1.00 0.00 N ATOM 0 H LYS A 81 -12.390 5.786 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.739 4.626 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.585 5.480 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.813 3.770 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.018 4.193 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.209 4.592 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.374 6.543 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.945 6.490 -6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.983 7.135 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.348 6.928 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.652 9.263 -5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.453 8.829 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.094 8.629 -6.604 1.00 0.00 H new ATOM 1379 N SER A 82 -12.840 2.186 -4.833 1.00 0.00 N ATOM 1380 CA SER A 82 -12.600 0.726 -4.649 1.00 0.00 C ATOM 1381 C SER A 82 -11.701 0.480 -3.431 1.00 0.00 C ATOM 1382 O SER A 82 -12.090 -0.170 -2.477 1.00 0.00 O ATOM 1383 CB SER A 82 -11.903 0.277 -5.932 1.00 0.00 C ATOM 1384 OG SER A 82 -11.500 -1.080 -5.799 1.00 0.00 O ATOM 0 H SER A 82 -12.275 2.632 -5.555 1.00 0.00 H new ATOM 0 HA SER A 82 -13.524 0.176 -4.472 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.576 0.387 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.036 0.908 -6.128 1.00 0.00 H new ATOM 0 HG SER A 82 -11.934 -1.620 -6.493 1.00 0.00 H new ATOM 1390 N ILE A 83 -10.498 0.990 -3.452 1.00 0.00 N ATOM 1391 CA ILE A 83 -9.579 0.778 -2.297 1.00 0.00 C ATOM 1392 C ILE A 83 -10.268 1.170 -0.985 1.00 0.00 C ATOM 1393 O ILE A 83 -10.477 0.345 -0.117 1.00 0.00 O ATOM 1394 CB ILE A 83 -8.369 1.675 -2.569 1.00 0.00 C ATOM 1395 CG1 ILE A 83 -7.459 0.999 -3.598 1.00 0.00 C ATOM 1396 CG2 ILE A 83 -7.586 1.893 -1.272 1.00 0.00 C ATOM 1397 CD1 ILE A 83 -7.943 1.336 -5.009 1.00 0.00 C ATOM 0 H ILE A 83 -10.113 1.543 -4.218 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.287 -0.267 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.711 2.636 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.431 1.335 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.464 -0.081 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.725 2.532 -1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.230 2.370 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.244 0.932 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.295 0.854 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.965 0.978 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.915 2.416 -5.155 1.00 0.00 H new ATOM 1409 N CYS A 84 -10.623 2.417 -0.825 1.00 0.00 N ATOM 1410 CA CYS A 84 -11.294 2.830 0.442 1.00 0.00 C ATOM 1411 C CYS A 84 -12.388 1.822 0.789 1.00 0.00 C ATOM 1412 O CYS A 84 -12.495 1.376 1.914 1.00 0.00 O ATOM 1413 CB CYS A 84 -11.894 4.211 0.171 1.00 0.00 C ATOM 1414 SG CYS A 84 -12.081 5.105 1.734 1.00 0.00 S ATOM 0 H CYS A 84 -10.480 3.160 -1.508 1.00 0.00 H new ATOM 0 HA CYS A 84 -10.601 2.866 1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -11.251 4.772 -0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -12.862 4.109 -0.320 1.00 0.00 H new ATOM 0 HG CYS A 84 -12.589 6.279 1.504 1.00 0.00 H new ATOM 1420 N GLU A 85 -13.195 1.444 -0.167 1.00 0.00 N ATOM 1421 CA GLU A 85 -14.260 0.449 0.134 1.00 0.00 C ATOM 1422 C GLU A 85 -13.656 -0.707 0.935 1.00 0.00 C ATOM 1423 O GLU A 85 -14.313 -1.319 1.753 1.00 0.00 O ATOM 1424 CB GLU A 85 -14.758 -0.035 -1.228 1.00 0.00 C ATOM 1425 CG GLU A 85 -16.213 0.394 -1.417 1.00 0.00 C ATOM 1426 CD GLU A 85 -16.960 -0.672 -2.220 1.00 0.00 C ATOM 1427 OE1 GLU A 85 -17.074 -1.784 -1.729 1.00 0.00 O ATOM 1428 OE2 GLU A 85 -17.405 -0.360 -3.312 1.00 0.00 O ATOM 0 H GLU A 85 -13.163 1.777 -1.131 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.074 0.868 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.138 0.380 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.676 -1.120 -1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.690 0.535 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.256 1.352 -1.936 1.00 0.00 H new ATOM 1435 N VAL A 86 -12.403 -1.006 0.709 1.00 0.00 N ATOM 1436 CA VAL A 86 -11.753 -2.119 1.466 1.00 0.00 C ATOM 1437 C VAL A 86 -10.292 -1.781 1.772 1.00 0.00 C ATOM 1438 O VAL A 86 -9.388 -2.515 1.424 1.00 0.00 O ATOM 1439 CB VAL A 86 -11.838 -3.341 0.549 1.00 0.00 C ATOM 1440 CG1 VAL A 86 -11.634 -4.612 1.376 1.00 0.00 C ATOM 1441 CG2 VAL A 86 -13.213 -3.390 -0.122 1.00 0.00 C ATOM 0 H VAL A 86 -11.803 -0.530 0.036 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.244 -2.295 2.423 1.00 0.00 H new ATOM 0 HB VAL A 86 -11.065 -3.271 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -11.694 -5.484 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.654 -4.582 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.408 -4.677 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -13.269 -4.262 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.988 -3.458 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.362 -2.486 -0.712 1.00 0.00 H new ATOM 1451 N LEU A 87 -10.056 -0.681 2.431 1.00 0.00 N ATOM 1452 CA LEU A 87 -8.655 -0.302 2.772 1.00 0.00 C ATOM 1453 C LEU A 87 -8.600 0.247 4.198 1.00 0.00 C ATOM 1454 O LEU A 87 -7.952 1.239 4.469 1.00 0.00 O ATOM 1455 CB LEU A 87 -8.273 0.784 1.765 1.00 0.00 C ATOM 1456 CG LEU A 87 -6.761 1.011 1.819 1.00 0.00 C ATOM 1457 CD1 LEU A 87 -6.053 -0.071 1.002 1.00 0.00 C ATOM 1458 CD2 LEU A 87 -6.432 2.386 1.236 1.00 0.00 C ATOM 0 H LEU A 87 -10.772 -0.028 2.748 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.973 -1.151 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.572 0.486 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.800 1.710 1.993 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.423 0.964 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.976 0.091 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.288 -1.052 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.390 -0.024 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.355 2.549 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.770 2.433 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.936 3.158 1.817 1.00 0.00 H new ATOM 1470 N ASP A 88 -9.281 -0.389 5.111 1.00 0.00 N ATOM 1471 CA ASP A 88 -9.277 0.095 6.521 1.00 0.00 C ATOM 1472 C ASP A 88 -9.880 1.500 6.596 1.00 0.00 C ATOM 1473 O ASP A 88 -9.366 2.371 7.269 1.00 0.00 O ATOM 1474 CB ASP A 88 -7.804 0.118 6.931 1.00 0.00 C ATOM 1475 CG ASP A 88 -7.701 0.290 8.447 1.00 0.00 C ATOM 1476 OD1 ASP A 88 -8.545 -0.251 9.143 1.00 0.00 O ATOM 1477 OD2 ASP A 88 -6.781 0.962 8.886 1.00 0.00 O ATOM 0 H ASP A 88 -9.841 -1.224 4.941 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.870 -0.541 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.316 -0.807 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.287 0.934 6.425 1.00 0.00 H new ATOM 1482 N LEU A 89 -10.966 1.727 5.907 1.00 0.00 N ATOM 1483 CA LEU A 89 -11.597 3.080 5.942 1.00 0.00 C ATOM 1484 C LEU A 89 -13.123 2.956 5.938 1.00 0.00 C ATOM 1485 O LEU A 89 -13.672 1.888 6.125 1.00 0.00 O ATOM 1486 CB LEU A 89 -11.114 3.774 4.668 1.00 0.00 C ATOM 1487 CG LEU A 89 -9.878 4.617 4.982 1.00 0.00 C ATOM 1488 CD1 LEU A 89 -9.142 4.951 3.684 1.00 0.00 C ATOM 1489 CD2 LEU A 89 -10.308 5.914 5.671 1.00 0.00 C ATOM 0 H LEU A 89 -11.442 1.039 5.324 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.327 3.637 6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.877 3.032 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.905 4.406 4.264 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.215 4.056 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.261 5.552 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.835 4.028 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.804 5.511 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.427 6.516 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.972 6.473 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.832 5.678 6.597 1.00 0.00 H new ATOM 1501 N GLU A 90 -13.810 4.044 5.722 1.00 0.00 N ATOM 1502 CA GLU A 90 -15.301 3.996 5.701 1.00 0.00 C ATOM 1503 C GLU A 90 -15.850 5.103 4.799 1.00 0.00 C ATOM 1504 O GLU A 90 -16.991 5.504 4.914 1.00 0.00 O ATOM 1505 CB GLU A 90 -15.726 4.224 7.152 1.00 0.00 C ATOM 1506 CG GLU A 90 -17.238 4.023 7.280 1.00 0.00 C ATOM 1507 CD GLU A 90 -17.548 3.302 8.593 1.00 0.00 C ATOM 1508 OE1 GLU A 90 -17.579 2.082 8.583 1.00 0.00 O ATOM 1509 OE2 GLU A 90 -17.747 3.981 9.586 1.00 0.00 O ATOM 0 H GLU A 90 -13.404 4.965 5.559 1.00 0.00 H new ATOM 0 HA GLU A 90 -15.680 3.051 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -15.200 3.532 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.455 5.231 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.747 4.986 7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.611 3.442 6.437 1.00 0.00 H new ATOM 1516 N ARG A 91 -15.044 5.602 3.899 1.00 0.00 N ATOM 1517 CA ARG A 91 -15.510 6.680 2.988 1.00 0.00 C ATOM 1518 C ARG A 91 -15.711 7.976 3.771 1.00 0.00 C ATOM 1519 O ARG A 91 -15.019 8.251 4.732 1.00 0.00 O ATOM 1520 CB ARG A 91 -16.842 6.180 2.423 1.00 0.00 C ATOM 1521 CG ARG A 91 -16.866 6.381 0.907 1.00 0.00 C ATOM 1522 CD ARG A 91 -18.307 6.622 0.447 1.00 0.00 C ATOM 1523 NE ARG A 91 -18.318 6.245 -0.993 1.00 0.00 N ATOM 1524 CZ ARG A 91 -19.303 5.536 -1.474 1.00 0.00 C ATOM 1525 NH1 ARG A 91 -19.810 4.559 -0.771 1.00 0.00 N ATOM 1526 NH2 ARG A 91 -19.784 5.805 -2.657 1.00 0.00 N ATOM 0 H ARG A 91 -14.078 5.305 3.758 1.00 0.00 H new ATOM 0 HA ARG A 91 -14.791 6.893 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -16.976 5.125 2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -17.669 6.719 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -16.238 7.229 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -16.455 5.504 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -19.011 6.017 1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -18.597 7.664 0.585 1.00 0.00 H new ATOM 0 HE ARG A 91 -17.556 6.540 -1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -19.436 4.349 0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -20.580 4.006 -1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -19.390 6.569 -3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -20.554 5.251 -3.033 1.00 0.00 H new ATOM 1540 N SER A 92 -16.653 8.772 3.365 1.00 0.00 N ATOM 1541 CA SER A 92 -16.913 10.056 4.078 1.00 0.00 C ATOM 1542 C SER A 92 -15.675 10.956 4.020 1.00 0.00 C ATOM 1543 O SER A 92 -14.608 10.590 4.473 1.00 0.00 O ATOM 1544 CB SER A 92 -17.217 9.654 5.520 1.00 0.00 C ATOM 1545 OG SER A 92 -18.082 10.619 6.104 1.00 0.00 O ATOM 0 H SER A 92 -17.260 8.591 2.566 1.00 0.00 H new ATOM 0 HA SER A 92 -17.733 10.617 3.630 1.00 0.00 H new ATOM 0 HB2 SER A 92 -17.683 8.669 5.545 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.292 9.584 6.093 1.00 0.00 H new ATOM 0 HG SER A 92 -18.281 10.363 7.029 1.00 0.00 H new ATOM 1551 N GLY A 93 -15.811 12.130 3.469 1.00 0.00 N ATOM 1552 CA GLY A 93 -14.645 13.054 3.384 1.00 0.00 C ATOM 1553 C GLY A 93 -14.691 13.819 2.059 1.00 0.00 C ATOM 1554 O GLY A 93 -15.116 13.300 1.047 1.00 0.00 O ATOM 0 H GLY A 93 -16.680 12.490 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.661 13.753 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.715 12.490 3.458 1.00 0.00 H new ATOM 1558 N VAL A 94 -14.258 15.051 2.058 1.00 0.00 N ATOM 1559 CA VAL A 94 -14.278 15.848 0.799 1.00 0.00 C ATOM 1560 C VAL A 94 -12.991 15.611 0.003 1.00 0.00 C ATOM 1561 O VAL A 94 -12.090 14.929 0.450 1.00 0.00 O ATOM 1562 CB VAL A 94 -14.370 17.306 1.256 1.00 0.00 C ATOM 1563 CG1 VAL A 94 -13.019 17.753 1.817 1.00 0.00 C ATOM 1564 CG2 VAL A 94 -14.746 18.191 0.066 1.00 0.00 C ATOM 0 H VAL A 94 -13.891 15.539 2.875 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.107 15.573 0.147 1.00 0.00 H new ATOM 0 HB VAL A 94 -15.132 17.395 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.086 18.791 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.751 17.124 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.256 17.663 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -14.812 19.229 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.985 18.101 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.710 17.874 -0.333 1.00 0.00 H new ATOM 1574 N ASN A 95 -12.897 16.167 -1.175 1.00 0.00 N ATOM 1575 CA ASN A 95 -11.668 15.971 -1.997 1.00 0.00 C ATOM 1576 C ASN A 95 -10.416 16.217 -1.149 1.00 0.00 C ATOM 1577 O ASN A 95 -9.530 15.390 -1.081 1.00 0.00 O ATOM 1578 CB ASN A 95 -11.769 17.009 -3.116 1.00 0.00 C ATOM 1579 CG ASN A 95 -12.929 16.649 -4.045 1.00 0.00 C ATOM 1580 OD1 ASN A 95 -13.939 16.135 -3.606 1.00 0.00 O ATOM 1581 ND2 ASN A 95 -12.825 16.894 -5.322 1.00 0.00 N ATOM 0 H ASN A 95 -13.618 16.748 -1.603 1.00 0.00 H new ATOM 0 HA ASN A 95 -11.592 14.956 -2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.923 18.001 -2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.836 17.044 -3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.591 16.654 -5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.978 17.325 -5.691 1.00 0.00 H new ATOM 1588 N SER A 96 -10.338 17.348 -0.502 1.00 0.00 N ATOM 1589 CA SER A 96 -9.141 17.642 0.339 1.00 0.00 C ATOM 1590 C SER A 96 -9.022 16.616 1.470 1.00 0.00 C ATOM 1591 O SER A 96 -8.091 15.838 1.520 1.00 0.00 O ATOM 1592 CB SER A 96 -9.387 19.039 0.904 1.00 0.00 C ATOM 1593 OG SER A 96 -10.000 19.847 -0.092 1.00 0.00 O ATOM 0 H SER A 96 -11.049 18.080 -0.519 1.00 0.00 H new ATOM 0 HA SER A 96 -8.214 17.592 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.026 18.980 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.445 19.486 1.223 1.00 0.00 H new ATOM 0 HG SER A 96 -10.161 20.744 0.268 1.00 0.00 H new ATOM 1599 N GLU A 97 -9.959 16.610 2.380 1.00 0.00 N ATOM 1600 CA GLU A 97 -9.897 15.635 3.507 1.00 0.00 C ATOM 1601 C GLU A 97 -9.509 14.247 2.989 1.00 0.00 C ATOM 1602 O GLU A 97 -8.910 13.458 3.693 1.00 0.00 O ATOM 1603 CB GLU A 97 -11.310 15.613 4.092 1.00 0.00 C ATOM 1604 CG GLU A 97 -11.340 14.699 5.319 1.00 0.00 C ATOM 1605 CD GLU A 97 -10.424 15.267 6.404 1.00 0.00 C ATOM 1606 OE1 GLU A 97 -10.882 16.111 7.158 1.00 0.00 O ATOM 1607 OE2 GLU A 97 -9.279 14.849 6.465 1.00 0.00 O ATOM 0 H GLU A 97 -10.763 17.237 2.392 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.152 15.914 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.616 16.622 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.019 15.259 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.359 14.614 5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.017 13.695 5.045 1.00 0.00 H new ATOM 1614 N LEU A 98 -9.841 13.942 1.764 1.00 0.00 N ATOM 1615 CA LEU A 98 -9.485 12.605 1.210 1.00 0.00 C ATOM 1616 C LEU A 98 -7.976 12.528 0.983 1.00 0.00 C ATOM 1617 O LEU A 98 -7.287 11.731 1.589 1.00 0.00 O ATOM 1618 CB LEU A 98 -10.239 12.508 -0.117 1.00 0.00 C ATOM 1619 CG LEU A 98 -11.685 12.091 0.149 1.00 0.00 C ATOM 1620 CD1 LEU A 98 -12.497 12.213 -1.141 1.00 0.00 C ATOM 1621 CD2 LEU A 98 -11.714 10.639 0.634 1.00 0.00 C ATOM 0 H LEU A 98 -10.342 14.559 1.125 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.751 11.789 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.215 13.468 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.754 11.783 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.116 12.739 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.528 11.916 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.475 13.246 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.067 11.565 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.745 10.340 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.283 9.992 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.135 10.551 1.553 1.00 0.00 H new ATOM 1633 N VAL A 99 -7.455 13.360 0.126 1.00 0.00 N ATOM 1634 CA VAL A 99 -5.988 13.342 -0.125 1.00 0.00 C ATOM 1635 C VAL A 99 -5.245 13.451 1.207 1.00 0.00 C ATOM 1636 O VAL A 99 -4.498 12.572 1.587 1.00 0.00 O ATOM 1637 CB VAL A 99 -5.721 14.569 -0.994 1.00 0.00 C ATOM 1638 CG1 VAL A 99 -4.216 14.829 -1.061 1.00 0.00 C ATOM 1639 CG2 VAL A 99 -6.258 14.318 -2.404 1.00 0.00 C ATOM 0 H VAL A 99 -7.980 14.050 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.652 12.426 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.220 15.437 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.025 15.705 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.832 15.005 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.716 13.962 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.069 15.193 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.758 13.451 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.331 14.132 -2.357 1.00 0.00 H new ATOM 1649 N LYS A 100 -5.452 14.521 1.925 1.00 0.00 N ATOM 1650 CA LYS A 100 -4.767 14.682 3.238 1.00 0.00 C ATOM 1651 C LYS A 100 -4.792 13.355 4.001 1.00 0.00 C ATOM 1652 O LYS A 100 -3.896 13.042 4.760 1.00 0.00 O ATOM 1653 CB LYS A 100 -5.579 15.744 3.976 1.00 0.00 C ATOM 1654 CG LYS A 100 -4.946 16.019 5.340 1.00 0.00 C ATOM 1655 CD LYS A 100 -5.853 16.958 6.137 1.00 0.00 C ATOM 1656 CE LYS A 100 -5.944 16.477 7.586 1.00 0.00 C ATOM 1657 NZ LYS A 100 -6.254 17.702 8.377 1.00 0.00 N ATOM 0 H LYS A 100 -6.066 15.291 1.659 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.721 14.972 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.615 16.662 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.608 15.406 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.803 15.085 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.961 16.467 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.460 17.974 6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.847 16.987 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.722 15.723 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.008 16.023 7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.332 17.454 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.493 18.399 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.154 18.108 8.049 1.00 0.00 H new ATOM 1671 N ARG A 101 -5.816 12.570 3.799 1.00 0.00 N ATOM 1672 CA ARG A 101 -5.907 11.262 4.502 1.00 0.00 C ATOM 1673 C ARG A 101 -4.784 10.330 4.037 1.00 0.00 C ATOM 1674 O ARG A 101 -4.083 9.743 4.838 1.00 0.00 O ATOM 1675 CB ARG A 101 -7.270 10.701 4.104 1.00 0.00 C ATOM 1676 CG ARG A 101 -8.004 10.218 5.354 1.00 0.00 C ATOM 1677 CD ARG A 101 -9.096 9.229 4.949 1.00 0.00 C ATOM 1678 NE ARG A 101 -10.333 10.050 4.835 1.00 0.00 N ATOM 1679 CZ ARG A 101 -11.185 10.089 5.824 1.00 0.00 C ATOM 1680 NH1 ARG A 101 -12.126 9.190 5.911 1.00 0.00 N ATOM 1681 NH2 ARG A 101 -11.095 11.028 6.726 1.00 0.00 N ATOM 0 H ARG A 101 -6.595 12.781 3.175 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.804 11.363 5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -7.857 11.467 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.146 9.878 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.303 9.742 6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.442 11.065 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.857 8.742 4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.212 8.441 5.694 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.515 10.582 3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.197 8.456 5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.791 9.221 6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.359 11.731 6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.760 11.059 7.498 1.00 0.00 H new ATOM 1695 N ILE A 102 -4.602 10.190 2.751 1.00 0.00 N ATOM 1696 CA ILE A 102 -3.515 9.294 2.256 1.00 0.00 C ATOM 1697 C ILE A 102 -2.189 9.704 2.897 1.00 0.00 C ATOM 1698 O ILE A 102 -1.317 8.888 3.122 1.00 0.00 O ATOM 1699 CB ILE A 102 -3.469 9.468 0.730 1.00 0.00 C ATOM 1700 CG1 ILE A 102 -2.744 10.769 0.374 1.00 0.00 C ATOM 1701 CG2 ILE A 102 -4.893 9.505 0.170 1.00 0.00 C ATOM 1702 CD1 ILE A 102 -1.264 10.478 0.116 1.00 0.00 C ATOM 0 H ILE A 102 -5.153 10.652 2.027 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.695 8.250 2.514 1.00 0.00 H new ATOM 0 HB ILE A 102 -2.931 8.627 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.196 11.219 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.847 11.489 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.855 9.629 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.403 8.572 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.436 10.340 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.750 11.405 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.816 10.048 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.170 9.774 -0.711 1.00 0.00 H new ATOM 1714 N LEU A 103 -2.034 10.963 3.205 1.00 0.00 N ATOM 1715 CA LEU A 103 -0.768 11.417 3.846 1.00 0.00 C ATOM 1716 C LEU A 103 -0.736 10.958 5.305 1.00 0.00 C ATOM 1717 O LEU A 103 0.315 10.786 5.891 1.00 0.00 O ATOM 1718 CB LEU A 103 -0.805 12.944 3.769 1.00 0.00 C ATOM 1719 CG LEU A 103 -1.000 13.377 2.316 1.00 0.00 C ATOM 1720 CD1 LEU A 103 -1.344 14.866 2.265 1.00 0.00 C ATOM 1721 CD2 LEU A 103 0.290 13.122 1.534 1.00 0.00 C ATOM 0 H LEU A 103 -2.726 11.694 3.041 1.00 0.00 H new ATOM 0 HA LEU A 103 0.116 11.009 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.616 13.330 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.122 13.361 4.163 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.815 12.805 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.482 15.172 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.263 15.046 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.532 15.442 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.154 13.430 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.104 13.694 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.532 12.060 1.568 1.00 0.00 H new ATOM 1733 N ASN A 104 -1.884 10.761 5.897 1.00 0.00 N ATOM 1734 CA ASN A 104 -1.923 10.316 7.320 1.00 0.00 C ATOM 1735 C ASN A 104 -2.136 8.802 7.408 1.00 0.00 C ATOM 1736 O ASN A 104 -1.912 8.195 8.436 1.00 0.00 O ATOM 1737 CB ASN A 104 -3.113 11.056 7.933 1.00 0.00 C ATOM 1738 CG ASN A 104 -2.735 12.517 8.183 1.00 0.00 C ATOM 1739 OD1 ASN A 104 -2.378 13.267 7.176 1.00 0.00 O flip ATOM 1740 ND2 ASN A 104 -2.767 12.981 9.305 1.00 0.00 N flip ATOM 0 H ASN A 104 -2.795 10.889 5.457 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.990 10.532 7.840 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.972 11.001 7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.407 10.581 8.869 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.046 12.395 10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.515 13.957 9.461 1.00 0.00 H new ATOM 1747 N PHE A 105 -2.572 8.187 6.343 1.00 0.00 N ATOM 1748 CA PHE A 105 -2.801 6.713 6.380 1.00 0.00 C ATOM 1749 C PHE A 105 -1.914 6.005 5.354 1.00 0.00 C ATOM 1750 O PHE A 105 -1.112 5.158 5.692 1.00 0.00 O ATOM 1751 CB PHE A 105 -4.279 6.534 6.026 1.00 0.00 C ATOM 1752 CG PHE A 105 -4.574 5.067 5.824 1.00 0.00 C ATOM 1753 CD1 PHE A 105 -3.874 4.105 6.561 1.00 0.00 C ATOM 1754 CD2 PHE A 105 -5.549 4.667 4.903 1.00 0.00 C ATOM 1755 CE1 PHE A 105 -4.146 2.745 6.379 1.00 0.00 C ATOM 1756 CE2 PHE A 105 -5.823 3.306 4.719 1.00 0.00 C ATOM 1757 CZ PHE A 105 -5.121 2.345 5.457 1.00 0.00 C ATOM 0 H PHE A 105 -2.779 8.638 5.452 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.557 6.285 7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.906 6.936 6.822 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.517 7.092 5.120 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.122 4.413 7.272 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.090 5.408 4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.605 2.004 6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.575 2.998 4.008 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.332 1.295 5.315 1.00 0.00 H new ATOM 1767 N LEU A 106 -2.052 6.344 4.102 1.00 0.00 N ATOM 1768 CA LEU A 106 -1.217 5.686 3.057 1.00 0.00 C ATOM 1769 C LEU A 106 0.260 6.027 3.262 1.00 0.00 C ATOM 1770 O LEU A 106 1.123 5.181 3.139 1.00 0.00 O ATOM 1771 CB LEU A 106 -1.724 6.254 1.732 1.00 0.00 C ATOM 1772 CG LEU A 106 -2.855 5.371 1.204 1.00 0.00 C ATOM 1773 CD1 LEU A 106 -2.356 3.932 1.069 1.00 0.00 C ATOM 1774 CD2 LEU A 106 -4.032 5.411 2.181 1.00 0.00 C ATOM 0 H LEU A 106 -2.706 7.047 3.757 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.294 4.599 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.079 7.275 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.911 6.297 1.007 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.178 5.738 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.161 3.301 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.517 3.902 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.034 3.566 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.839 4.782 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.709 5.044 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.388 6.436 2.280 1.00 0.00 H new ATOM 1786 N MET A 107 0.561 7.258 3.577 1.00 0.00 N ATOM 1787 CA MET A 107 1.986 7.642 3.792 1.00 0.00 C ATOM 1788 C MET A 107 2.460 7.145 5.160 1.00 0.00 C ATOM 1789 O MET A 107 3.642 7.085 5.436 1.00 0.00 O ATOM 1790 CB MET A 107 2.000 9.169 3.739 1.00 0.00 C ATOM 1791 CG MET A 107 3.349 9.686 4.243 1.00 0.00 C ATOM 1792 SD MET A 107 3.116 10.539 5.821 1.00 0.00 S ATOM 1793 CE MET A 107 2.472 12.086 5.143 1.00 0.00 C ATOM 0 H MET A 107 -0.116 8.012 3.694 1.00 0.00 H new ATOM 0 HA MET A 107 2.651 7.207 3.046 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.827 9.509 2.718 1.00 0.00 H new ATOM 0 HB3 MET A 107 1.193 9.572 4.351 1.00 0.00 H new ATOM 0 HG2 MET A 107 4.046 8.857 4.365 1.00 0.00 H new ATOM 0 HG3 MET A 107 3.787 10.365 3.511 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.858 12.585 5.893 1.00 0.00 H new ATOM 0 HE2 MET A 107 3.302 12.735 4.864 1.00 0.00 H new ATOM 0 HE3 MET A 107 1.866 11.873 4.262 1.00 0.00 H new ATOM 1803 N HIS A 108 1.545 6.787 6.017 1.00 0.00 N ATOM 1804 CA HIS A 108 1.938 6.291 7.367 1.00 0.00 C ATOM 1805 C HIS A 108 0.699 5.818 8.130 1.00 0.00 C ATOM 1806 O HIS A 108 0.144 6.547 8.927 1.00 0.00 O ATOM 1807 CB HIS A 108 2.570 7.495 8.064 1.00 0.00 C ATOM 1808 CG HIS A 108 3.933 7.119 8.576 1.00 0.00 C ATOM 1809 ND1 HIS A 108 4.321 7.354 9.886 1.00 0.00 N ATOM 1810 CD2 HIS A 108 5.010 6.524 7.969 1.00 0.00 C ATOM 1811 CE1 HIS A 108 5.581 6.906 10.023 1.00 0.00 C ATOM 1812 NE2 HIS A 108 6.049 6.390 8.883 1.00 0.00 N ATOM 0 H HIS A 108 0.541 6.816 5.841 1.00 0.00 H new ATOM 0 HA HIS A 108 2.625 5.446 7.316 1.00 0.00 H new ATOM 0 HB2 HIS A 108 2.649 8.331 7.369 1.00 0.00 H new ATOM 0 HB3 HIS A 108 1.938 7.824 8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 108 5.045 6.208 6.937 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.146 6.957 10.942 1.00 0.00 H new ATOM 0 HE2 HIS A 108 6.971 5.985 8.719 1.00 0.00 H new ATOM 1820 N PRO A 109 0.307 4.605 7.853 1.00 0.00 N ATOM 1821 CA PRO A 109 -0.882 4.022 8.518 1.00 0.00 C ATOM 1822 C PRO A 109 -0.583 3.734 9.992 1.00 0.00 C ATOM 1823 O PRO A 109 -0.809 4.564 10.846 1.00 0.00 O ATOM 1824 CB PRO A 109 -1.128 2.730 7.741 1.00 0.00 C ATOM 1825 CG PRO A 109 0.200 2.376 7.152 1.00 0.00 C ATOM 1826 CD PRO A 109 0.928 3.672 6.908 1.00 0.00 C ATOM 0 HA PRO A 109 -1.748 4.685 8.513 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.493 1.939 8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.879 2.873 6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.765 1.737 7.830 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.075 1.822 6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 109 1.998 3.570 7.091 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.811 4.009 5.878 1.00 0.00 H new ATOM 1834 N LYS A 110 -0.082 2.565 10.290 1.00 0.00 N ATOM 1835 CA LYS A 110 0.236 2.212 11.704 1.00 0.00 C ATOM 1836 C LYS A 110 -1.021 2.313 12.573 1.00 0.00 C ATOM 1837 O LYS A 110 -1.932 3.022 12.181 1.00 0.00 O ATOM 1838 CB LYS A 110 1.290 3.231 12.146 1.00 0.00 C ATOM 1839 CG LYS A 110 1.499 3.124 13.658 1.00 0.00 C ATOM 1840 CD LYS A 110 1.020 4.411 14.336 1.00 0.00 C ATOM 1841 CE LYS A 110 -0.431 4.688 13.943 1.00 0.00 C ATOM 1842 NZ LYS A 110 -0.670 6.104 14.335 1.00 0.00 N ATOM 0 H LYS A 110 0.122 1.834 9.609 1.00 0.00 H new ATOM 0 HA LYS A 110 0.601 1.190 11.801 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.229 3.048 11.624 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.970 4.239 11.883 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.950 2.268 14.051 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.553 2.956 13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.102 4.316 15.419 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.653 5.247 14.040 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.585 4.543 12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.116 4.014 14.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.647 6.370 14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.522 6.210 15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.008 6.722 13.823 1.00 0.00 H new TER 1856 LYS A 110