USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1096 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 60 ASN : amide:sc= -2.29! C(o=-4!,f=-5.7!) USER MOD Set 1.2: A 62 THR OG1 : rot -76:sc= -1.73! USER MOD Set 2.1: A 36 MET CE :methyl -150:sc=-0.00338 (180deg=-1.71) USER MOD Set 2.2: A 51 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 2.3: A 75 LYS NZ :NH3+ 149:sc= 0.328 (180deg=0.0158) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0.00862 USER MOD Set 3.2: A 8 GLN : amide:sc= 0.225 K(o=0.23,f=-3.6!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.24 K(o=-1.2,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00296) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0171 USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.028) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0307) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 38 SER OG : rot -73:sc= 1.17 USER MOD Single : A 41 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.9) USER MOD Single : A 42 ASN : amide:sc= -0.905 K(o=-0.9,f=-0.13!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 49 GLN : amide:sc= -0.468 K(o=-0.47,f=-4.7!) USER MOD Single : A 53 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.097) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -151:sc= -0.351 (180deg=-3.34!) USER MOD Single : A 72 MET CE :methyl -164:sc= -0.0184 (180deg=-0.592) USER MOD Single : A 76 MET CE :methyl 139:sc= -2.09 (180deg=-7.11!) USER MOD Single : A 77 LYS NZ :NH3+ -116:sc= -1.47 (180deg=-3.87!) USER MOD Single : A 79 THR OG1 : rot -53:sc= 0.496 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -4.39! K(o=-4.4!,f=-1.4) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -72:sc= 0.282 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 109 MET CE :methyl 178:sc= -2.73 (180deg=-2.89) USER MOD Single : A 110 THR OG1 : rot -64:sc= -0.733! USER MOD Single : A 111 ASN : amide:sc=-0.000698 X(o=-0.0007,f=-0.25) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -4.02! C(o=-4!,f=-4.6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0118 K(o=-0.012,f=-1.8!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -146:sc= -0.359 (180deg=-2.52!) USER MOD Single : A 146 THR OG1 : rot 41:sc= 0.224 USER MOD Single : A 148 LYS NZ :NH3+ 166:sc= -0.0168 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.846 13.800 -11.998 1.00 1.51 N ATOM 2 CA ALA A 1 14.001 12.581 -12.161 1.00 1.77 C ATOM 3 C ALA A 1 13.519 12.106 -10.788 1.00 1.60 C ATOM 4 O ALA A 1 14.229 11.428 -10.072 1.00 2.13 O ATOM 5 CB ALA A 1 14.828 11.476 -12.821 1.00 2.21 C ATOM 0 H1 ALA A 1 15.173 14.123 -12.931 1.00 1.51 H new ATOM 0 H2 ALA A 1 14.287 14.553 -11.548 1.00 1.51 H new ATOM 0 H3 ALA A 1 15.668 13.576 -11.401 1.00 1.51 H new ATOM 0 HA ALA A 1 13.140 12.816 -12.786 1.00 1.77 H new ATOM 0 HB1 ALA A 1 14.213 10.584 -12.941 1.00 2.21 H new ATOM 0 HB2 ALA A 1 15.173 11.814 -13.798 1.00 2.21 H new ATOM 0 HB3 ALA A 1 15.688 11.242 -12.194 1.00 2.21 H new ATOM 13 N ASP A 2 12.318 12.454 -10.415 1.00 1.00 N ATOM 14 CA ASP A 2 11.795 12.019 -9.088 1.00 0.86 C ATOM 15 C ASP A 2 11.336 10.571 -9.178 1.00 0.68 C ATOM 16 O ASP A 2 10.560 10.091 -8.378 1.00 0.54 O ATOM 17 CB ASP A 2 10.610 12.893 -8.700 1.00 0.72 C ATOM 18 CG ASP A 2 11.079 14.335 -8.487 1.00 1.79 C ATOM 19 OD1 ASP A 2 11.918 14.782 -9.254 1.00 3.12 O ATOM 20 OD2 ASP A 2 10.591 14.966 -7.564 1.00 1.63 O ATOM 0 H ASP A 2 11.677 13.020 -10.971 1.00 1.00 H new ATOM 0 HA ASP A 2 12.582 12.112 -8.339 1.00 0.86 H new ATOM 0 HB2 ASP A 2 9.850 12.859 -9.481 1.00 0.72 H new ATOM 0 HB3 ASP A 2 10.148 12.512 -7.789 1.00 0.72 H new ATOM 25 N GLN A 3 11.815 9.889 -10.162 1.00 0.75 N ATOM 26 CA GLN A 3 11.418 8.455 -10.346 1.00 0.64 C ATOM 27 C GLN A 3 11.810 7.644 -9.117 1.00 0.52 C ATOM 28 O GLN A 3 12.796 7.915 -8.461 1.00 0.56 O ATOM 29 CB GLN A 3 12.094 7.849 -11.585 1.00 0.82 C ATOM 30 CG GLN A 3 11.629 8.605 -12.825 1.00 0.97 C ATOM 31 CD GLN A 3 12.317 8.034 -14.065 1.00 1.33 C ATOM 32 OE1 GLN A 3 11.886 8.272 -15.176 1.00 1.89 O ATOM 33 NE2 GLN A 3 13.379 7.288 -13.924 1.00 1.81 N ATOM 0 H GLN A 3 12.468 10.251 -10.857 1.00 0.75 H new ATOM 0 HA GLN A 3 10.337 8.422 -10.484 1.00 0.64 H new ATOM 0 HB2 GLN A 3 13.178 7.912 -11.491 1.00 0.82 H new ATOM 0 HB3 GLN A 3 11.842 6.792 -11.672 1.00 0.82 H new ATOM 0 HG2 GLN A 3 10.547 8.524 -12.928 1.00 0.97 H new ATOM 0 HG3 GLN A 3 11.861 9.665 -12.724 1.00 0.97 H new ATOM 0 HE21 GLN A 3 13.741 7.088 -12.992 1.00 1.81 H new ATOM 0 HE22 GLN A 3 13.846 6.905 -14.746 1.00 1.81 H new ATOM 42 N LEU A 4 11.039 6.642 -8.806 1.00 0.40 N ATOM 43 CA LEU A 4 11.347 5.794 -7.623 1.00 0.30 C ATOM 44 C LEU A 4 12.637 5.011 -7.880 1.00 0.29 C ATOM 45 O LEU A 4 12.794 4.379 -8.908 1.00 0.32 O ATOM 46 CB LEU A 4 10.193 4.814 -7.384 1.00 0.23 C ATOM 47 CG LEU A 4 8.900 5.590 -7.056 1.00 0.25 C ATOM 48 CD1 LEU A 4 7.682 4.709 -7.344 1.00 0.21 C ATOM 49 CD2 LEU A 4 8.880 5.990 -5.576 1.00 0.30 C ATOM 0 H LEU A 4 10.203 6.372 -9.324 1.00 0.40 H new ATOM 0 HA LEU A 4 11.475 6.426 -6.744 1.00 0.30 H new ATOM 0 HB2 LEU A 4 10.041 4.196 -8.269 1.00 0.23 H new ATOM 0 HB3 LEU A 4 10.441 4.141 -6.563 1.00 0.23 H new ATOM 0 HG LEU A 4 8.868 6.487 -7.675 1.00 0.25 H new ATOM 0 HD11 LEU A 4 6.771 5.260 -7.111 1.00 0.21 H new ATOM 0 HD12 LEU A 4 7.677 4.428 -8.397 1.00 0.21 H new ATOM 0 HD13 LEU A 4 7.729 3.810 -6.729 1.00 0.21 H new ATOM 0 HD21 LEU A 4 7.962 6.537 -5.359 1.00 0.30 H new ATOM 0 HD22 LEU A 4 8.924 5.094 -4.956 1.00 0.30 H new ATOM 0 HD23 LEU A 4 9.740 6.624 -5.359 1.00 0.30 H new ATOM 61 N THR A 5 13.561 5.045 -6.960 1.00 0.27 N ATOM 62 CA THR A 5 14.837 4.301 -7.156 1.00 0.28 C ATOM 63 C THR A 5 14.578 2.799 -7.016 1.00 0.24 C ATOM 64 O THR A 5 13.614 2.381 -6.404 1.00 0.18 O ATOM 65 CB THR A 5 15.857 4.749 -6.105 1.00 0.27 C ATOM 66 OG1 THR A 5 15.294 4.603 -4.808 1.00 0.29 O ATOM 67 CG2 THR A 5 16.222 6.213 -6.343 1.00 0.25 C ATOM 0 H THR A 5 13.488 5.556 -6.080 1.00 0.27 H new ATOM 0 HA THR A 5 15.231 4.508 -8.151 1.00 0.28 H new ATOM 0 HB THR A 5 16.754 4.135 -6.182 1.00 0.27 H new ATOM 0 HG1 THR A 5 15.946 4.888 -4.134 1.00 0.29 H new ATOM 0 HG21 THR A 5 16.948 6.533 -5.596 1.00 0.25 H new ATOM 0 HG22 THR A 5 16.653 6.323 -7.338 1.00 0.25 H new ATOM 0 HG23 THR A 5 15.326 6.829 -6.265 1.00 0.25 H new ATOM 75 N GLU A 6 15.425 1.982 -7.582 1.00 0.27 N ATOM 76 CA GLU A 6 15.224 0.510 -7.484 1.00 0.25 C ATOM 77 C GLU A 6 15.132 0.098 -6.016 1.00 0.20 C ATOM 78 O GLU A 6 14.338 -0.744 -5.646 1.00 0.16 O ATOM 79 CB GLU A 6 16.403 -0.206 -8.147 1.00 0.30 C ATOM 80 CG GLU A 6 16.496 0.207 -9.623 1.00 0.43 C ATOM 81 CD GLU A 6 17.168 1.579 -9.737 1.00 1.60 C ATOM 82 OE1 GLU A 6 18.126 1.807 -9.018 1.00 2.30 O ATOM 83 OE2 GLU A 6 16.712 2.374 -10.541 1.00 2.81 O ATOM 0 H GLU A 6 16.249 2.272 -8.109 1.00 0.27 H new ATOM 0 HA GLU A 6 14.299 0.235 -7.990 1.00 0.25 H new ATOM 0 HB2 GLU A 6 17.330 0.044 -7.630 1.00 0.30 H new ATOM 0 HB3 GLU A 6 16.276 -1.286 -8.069 1.00 0.30 H new ATOM 0 HG2 GLU A 6 17.066 -0.535 -10.182 1.00 0.43 H new ATOM 0 HG3 GLU A 6 15.500 0.242 -10.064 1.00 0.43 H new ATOM 90 N GLU A 7 15.938 0.684 -5.175 1.00 0.31 N ATOM 91 CA GLU A 7 15.895 0.324 -3.730 1.00 0.27 C ATOM 92 C GLU A 7 14.537 0.721 -3.149 1.00 0.19 C ATOM 93 O GLU A 7 13.909 -0.043 -2.442 1.00 0.16 O ATOM 94 CB GLU A 7 17.006 1.067 -2.982 1.00 0.32 C ATOM 95 CG GLU A 7 18.369 0.610 -3.506 1.00 0.45 C ATOM 96 CD GLU A 7 19.477 1.194 -2.628 1.00 0.57 C ATOM 97 OE1 GLU A 7 19.655 0.702 -1.525 1.00 1.51 O ATOM 98 OE2 GLU A 7 20.130 2.126 -3.071 1.00 1.30 O ATOM 0 H GLU A 7 16.624 1.396 -5.425 1.00 0.31 H new ATOM 0 HA GLU A 7 16.041 -0.751 -3.619 1.00 0.27 H new ATOM 0 HB2 GLU A 7 16.894 2.143 -3.118 1.00 0.32 H new ATOM 0 HB3 GLU A 7 16.932 0.872 -1.912 1.00 0.32 H new ATOM 0 HG2 GLU A 7 18.425 -0.479 -3.504 1.00 0.45 H new ATOM 0 HG3 GLU A 7 18.500 0.934 -4.539 1.00 0.45 H new ATOM 105 N GLN A 8 14.076 1.906 -3.444 1.00 0.22 N ATOM 106 CA GLN A 8 12.756 2.339 -2.906 1.00 0.18 C ATOM 107 C GLN A 8 11.670 1.388 -3.419 1.00 0.15 C ATOM 108 O GLN A 8 10.752 1.039 -2.705 1.00 0.14 O ATOM 109 CB GLN A 8 12.457 3.770 -3.365 1.00 0.26 C ATOM 110 CG GLN A 8 13.263 4.758 -2.516 1.00 0.24 C ATOM 111 CD GLN A 8 13.228 6.142 -3.167 1.00 0.42 C ATOM 112 OE1 GLN A 8 12.730 6.298 -4.264 1.00 0.32 O ATOM 113 NE2 GLN A 8 13.742 7.161 -2.532 1.00 0.74 N ATOM 0 H GLN A 8 14.554 2.590 -4.031 1.00 0.22 H new ATOM 0 HA GLN A 8 12.776 2.314 -1.816 1.00 0.18 H new ATOM 0 HB2 GLN A 8 12.713 3.886 -4.418 1.00 0.26 H new ATOM 0 HB3 GLN A 8 11.391 3.978 -3.271 1.00 0.26 H new ATOM 0 HG2 GLN A 8 12.850 4.808 -1.508 1.00 0.24 H new ATOM 0 HG3 GLN A 8 14.293 4.415 -2.421 1.00 0.24 H new ATOM 0 HE21 GLN A 8 14.160 7.030 -1.611 1.00 0.74 H new ATOM 0 HE22 GLN A 8 13.725 8.088 -2.957 1.00 0.74 H new ATOM 122 N ILE A 9 11.772 0.954 -4.648 1.00 0.16 N ATOM 123 CA ILE A 9 10.746 0.015 -5.187 1.00 0.14 C ATOM 124 C ILE A 9 10.927 -1.357 -4.533 1.00 0.18 C ATOM 125 O ILE A 9 9.970 -2.039 -4.223 1.00 0.14 O ATOM 126 CB ILE A 9 10.905 -0.114 -6.705 1.00 0.14 C ATOM 127 CG1 ILE A 9 10.679 1.253 -7.360 1.00 0.20 C ATOM 128 CG2 ILE A 9 9.878 -1.115 -7.242 1.00 0.22 C ATOM 129 CD1 ILE A 9 11.031 1.171 -8.846 1.00 0.17 C ATOM 0 H ILE A 9 12.516 1.207 -5.298 1.00 0.16 H new ATOM 0 HA ILE A 9 9.750 0.399 -4.966 1.00 0.14 H new ATOM 0 HB ILE A 9 11.910 -0.466 -6.937 1.00 0.14 H new ATOM 0 HG12 ILE A 9 9.640 1.559 -7.238 1.00 0.20 H new ATOM 0 HG13 ILE A 9 11.294 2.009 -6.871 1.00 0.20 H new ATOM 0 HG21 ILE A 9 9.990 -1.207 -8.322 1.00 0.22 H new ATOM 0 HG22 ILE A 9 10.039 -2.087 -6.776 1.00 0.22 H new ATOM 0 HG23 ILE A 9 8.872 -0.764 -7.011 1.00 0.22 H new ATOM 0 HD11 ILE A 9 10.870 2.143 -9.312 1.00 0.17 H new ATOM 0 HD12 ILE A 9 12.077 0.884 -8.957 1.00 0.17 H new ATOM 0 HD13 ILE A 9 10.397 0.428 -9.330 1.00 0.17 H new ATOM 141 N ALA A 10 12.150 -1.769 -4.323 1.00 0.27 N ATOM 142 CA ALA A 10 12.397 -3.094 -3.692 1.00 0.33 C ATOM 143 C ALA A 10 12.089 -3.031 -2.198 1.00 0.35 C ATOM 144 O ALA A 10 11.799 -4.034 -1.585 1.00 0.52 O ATOM 145 CB ALA A 10 13.861 -3.487 -3.895 1.00 0.48 C ATOM 0 H ALA A 10 12.989 -1.241 -4.563 1.00 0.27 H new ATOM 0 HA ALA A 10 11.748 -3.837 -4.156 1.00 0.33 H new ATOM 0 HB1 ALA A 10 14.045 -4.457 -3.434 1.00 0.48 H new ATOM 0 HB2 ALA A 10 14.077 -3.546 -4.962 1.00 0.48 H new ATOM 0 HB3 ALA A 10 14.506 -2.739 -3.435 1.00 0.48 H new ATOM 151 N GLU A 11 12.133 -1.870 -1.603 1.00 0.33 N ATOM 152 CA GLU A 11 11.833 -1.774 -0.159 1.00 0.34 C ATOM 153 C GLU A 11 10.325 -1.969 0.023 1.00 0.24 C ATOM 154 O GLU A 11 9.885 -2.819 0.771 1.00 0.37 O ATOM 155 CB GLU A 11 12.308 -0.387 0.333 1.00 0.41 C ATOM 156 CG GLU A 11 11.332 0.206 1.338 1.00 1.03 C ATOM 157 CD GLU A 11 11.968 1.413 2.031 1.00 0.79 C ATOM 158 OE1 GLU A 11 12.930 1.938 1.495 1.00 1.22 O ATOM 159 OE2 GLU A 11 11.484 1.790 3.085 1.00 1.21 O ATOM 0 H GLU A 11 12.364 -0.988 -2.060 1.00 0.33 H new ATOM 0 HA GLU A 11 12.347 -2.537 0.426 1.00 0.34 H new ATOM 0 HB2 GLU A 11 13.293 -0.479 0.790 1.00 0.41 H new ATOM 0 HB3 GLU A 11 12.412 0.287 -0.517 1.00 0.41 H new ATOM 0 HG2 GLU A 11 10.414 0.507 0.833 1.00 1.03 H new ATOM 0 HG3 GLU A 11 11.056 -0.546 2.078 1.00 1.03 H new ATOM 166 N PHE A 12 9.529 -1.200 -0.668 1.00 0.11 N ATOM 167 CA PHE A 12 8.059 -1.368 -0.541 1.00 0.15 C ATOM 168 C PHE A 12 7.689 -2.782 -0.980 1.00 0.13 C ATOM 169 O PHE A 12 6.695 -3.334 -0.554 1.00 0.15 O ATOM 170 CB PHE A 12 7.326 -0.359 -1.438 1.00 0.22 C ATOM 171 CG PHE A 12 7.872 1.052 -1.275 1.00 0.22 C ATOM 172 CD1 PHE A 12 8.233 1.554 -0.012 1.00 0.46 C ATOM 173 CD2 PHE A 12 7.997 1.876 -2.404 1.00 0.31 C ATOM 174 CE1 PHE A 12 8.710 2.865 0.113 1.00 0.48 C ATOM 175 CE2 PHE A 12 8.478 3.181 -2.275 1.00 0.36 C ATOM 176 CZ PHE A 12 8.832 3.677 -1.018 1.00 0.32 C ATOM 0 H PHE A 12 9.833 -0.468 -1.310 1.00 0.11 H new ATOM 0 HA PHE A 12 7.766 -1.198 0.495 1.00 0.15 H new ATOM 0 HB2 PHE A 12 7.419 -0.666 -2.480 1.00 0.22 H new ATOM 0 HB3 PHE A 12 6.263 -0.366 -1.198 1.00 0.22 H new ATOM 0 HD1 PHE A 12 8.142 0.928 0.863 1.00 0.46 H new ATOM 0 HD2 PHE A 12 7.720 1.499 -3.377 1.00 0.31 H new ATOM 0 HE1 PHE A 12 8.984 3.249 1.085 1.00 0.48 H new ATOM 0 HE2 PHE A 12 8.576 3.808 -3.149 1.00 0.36 H new ATOM 0 HZ PHE A 12 9.200 4.688 -0.920 1.00 0.32 H new ATOM 186 N LYS A 13 8.481 -3.375 -1.830 1.00 0.12 N ATOM 187 CA LYS A 13 8.164 -4.752 -2.288 1.00 0.12 C ATOM 188 C LYS A 13 8.236 -5.706 -1.095 1.00 0.12 C ATOM 189 O LYS A 13 7.303 -6.436 -0.823 1.00 0.30 O ATOM 190 CB LYS A 13 9.161 -5.186 -3.370 1.00 0.11 C ATOM 191 CG LYS A 13 8.896 -6.660 -3.787 1.00 0.11 C ATOM 192 CD LYS A 13 9.011 -6.814 -5.315 1.00 0.21 C ATOM 193 CE LYS A 13 7.702 -6.380 -5.989 1.00 0.33 C ATOM 194 NZ LYS A 13 6.715 -7.493 -5.916 1.00 1.76 N ATOM 0 H LYS A 13 9.329 -2.967 -2.224 1.00 0.12 H new ATOM 0 HA LYS A 13 7.160 -4.774 -2.711 1.00 0.12 H new ATOM 0 HB2 LYS A 13 9.072 -4.534 -4.239 1.00 0.11 H new ATOM 0 HB3 LYS A 13 10.180 -5.084 -2.997 1.00 0.11 H new ATOM 0 HG2 LYS A 13 9.611 -7.318 -3.294 1.00 0.11 H new ATOM 0 HG3 LYS A 13 7.903 -6.965 -3.458 1.00 0.11 H new ATOM 0 HD2 LYS A 13 9.839 -6.210 -5.688 1.00 0.21 H new ATOM 0 HD3 LYS A 13 9.233 -7.851 -5.568 1.00 0.21 H new ATOM 0 HE2 LYS A 13 7.303 -5.493 -5.497 1.00 0.33 H new ATOM 0 HE3 LYS A 13 7.887 -6.111 -7.029 1.00 0.33 H new ATOM 0 HZ1 LYS A 13 5.845 -7.219 -6.417 1.00 1.76 H new ATOM 0 HZ2 LYS A 13 7.117 -8.343 -6.360 1.00 1.76 H new ATOM 0 HZ3 LYS A 13 6.492 -7.695 -4.920 1.00 1.76 H new ATOM 208 N GLU A 14 9.326 -5.707 -0.369 1.00 0.09 N ATOM 209 CA GLU A 14 9.409 -6.624 0.807 1.00 0.15 C ATOM 210 C GLU A 14 8.242 -6.326 1.749 1.00 0.11 C ATOM 211 O GLU A 14 7.553 -7.215 2.207 1.00 0.16 O ATOM 212 CB GLU A 14 10.731 -6.418 1.564 1.00 0.24 C ATOM 213 CG GLU A 14 11.902 -6.281 0.573 1.00 0.19 C ATOM 214 CD GLU A 14 13.191 -6.836 1.195 1.00 0.31 C ATOM 215 OE1 GLU A 14 13.799 -6.130 1.981 1.00 1.42 O ATOM 216 OE2 GLU A 14 13.543 -7.960 0.872 1.00 1.03 O ATOM 0 H GLU A 14 10.147 -5.125 -0.535 1.00 0.09 H new ATOM 0 HA GLU A 14 9.364 -7.655 0.456 1.00 0.15 H new ATOM 0 HB2 GLU A 14 10.666 -5.525 2.186 1.00 0.24 H new ATOM 0 HB3 GLU A 14 10.909 -7.260 2.233 1.00 0.24 H new ATOM 0 HG2 GLU A 14 11.673 -6.818 -0.348 1.00 0.19 H new ATOM 0 HG3 GLU A 14 12.041 -5.234 0.305 1.00 0.19 H new ATOM 223 N ALA A 15 8.020 -5.075 2.038 1.00 0.06 N ATOM 224 CA ALA A 15 6.903 -4.709 2.951 1.00 0.06 C ATOM 225 C ALA A 15 5.577 -5.171 2.346 1.00 0.08 C ATOM 226 O ALA A 15 4.636 -5.484 3.048 1.00 0.10 O ATOM 227 CB ALA A 15 6.873 -3.189 3.142 1.00 0.10 C ATOM 0 H ALA A 15 8.564 -4.290 1.681 1.00 0.06 H new ATOM 0 HA ALA A 15 7.052 -5.193 3.916 1.00 0.06 H new ATOM 0 HB1 ALA A 15 6.055 -2.922 3.811 1.00 0.10 H new ATOM 0 HB2 ALA A 15 7.817 -2.858 3.574 1.00 0.10 H new ATOM 0 HB3 ALA A 15 6.726 -2.704 2.177 1.00 0.10 H new ATOM 233 N PHE A 16 5.498 -5.210 1.048 1.00 0.08 N ATOM 234 CA PHE A 16 4.236 -5.646 0.389 1.00 0.12 C ATOM 235 C PHE A 16 4.102 -7.168 0.473 1.00 0.13 C ATOM 236 O PHE A 16 3.048 -7.692 0.774 1.00 0.14 O ATOM 237 CB PHE A 16 4.270 -5.213 -1.076 1.00 0.12 C ATOM 238 CG PHE A 16 2.908 -5.396 -1.691 1.00 0.14 C ATOM 239 CD1 PHE A 16 1.949 -4.379 -1.585 1.00 0.10 C ATOM 240 CD2 PHE A 16 2.603 -6.576 -2.378 1.00 0.19 C ATOM 241 CE1 PHE A 16 0.689 -4.545 -2.164 1.00 0.11 C ATOM 242 CE2 PHE A 16 1.343 -6.740 -2.962 1.00 0.20 C ATOM 243 CZ PHE A 16 0.387 -5.723 -2.851 1.00 0.16 C ATOM 0 H PHE A 16 6.254 -4.958 0.412 1.00 0.08 H new ATOM 0 HA PHE A 16 3.383 -5.190 0.892 1.00 0.12 H new ATOM 0 HB2 PHE A 16 4.576 -4.169 -1.150 1.00 0.12 H new ATOM 0 HB3 PHE A 16 5.008 -5.801 -1.622 1.00 0.12 H new ATOM 0 HD1 PHE A 16 2.184 -3.467 -1.056 1.00 0.10 H new ATOM 0 HD2 PHE A 16 3.341 -7.361 -2.457 1.00 0.19 H new ATOM 0 HE1 PHE A 16 -0.051 -3.763 -2.081 1.00 0.11 H new ATOM 0 HE2 PHE A 16 1.108 -7.648 -3.497 1.00 0.20 H new ATOM 0 HZ PHE A 16 -0.588 -5.850 -3.298 1.00 0.16 H new ATOM 253 N SER A 17 5.158 -7.879 0.202 1.00 0.14 N ATOM 254 CA SER A 17 5.093 -9.366 0.257 1.00 0.16 C ATOM 255 C SER A 17 4.906 -9.826 1.706 1.00 0.15 C ATOM 256 O SER A 17 4.308 -10.850 1.968 1.00 0.23 O ATOM 257 CB SER A 17 6.396 -9.947 -0.296 1.00 0.17 C ATOM 258 OG SER A 17 7.330 -10.107 0.765 1.00 1.10 O ATOM 0 H SER A 17 6.067 -7.494 -0.056 1.00 0.14 H new ATOM 0 HA SER A 17 4.250 -9.713 -0.340 1.00 0.16 H new ATOM 0 HB2 SER A 17 6.205 -10.907 -0.775 1.00 0.17 H new ATOM 0 HB3 SER A 17 6.806 -9.286 -1.060 1.00 0.17 H new ATOM 0 HG SER A 17 8.165 -10.481 0.413 1.00 1.10 H new ATOM 264 N LEU A 18 5.423 -9.087 2.646 1.00 0.12 N ATOM 265 CA LEU A 18 5.281 -9.497 4.073 1.00 0.12 C ATOM 266 C LEU A 18 3.808 -9.802 4.378 1.00 0.13 C ATOM 267 O LEU A 18 3.503 -10.480 5.338 1.00 0.14 O ATOM 268 CB LEU A 18 5.782 -8.359 4.998 1.00 0.14 C ATOM 269 CG LEU A 18 7.265 -8.555 5.375 1.00 0.10 C ATOM 270 CD1 LEU A 18 7.746 -7.345 6.194 1.00 0.14 C ATOM 271 CD2 LEU A 18 7.444 -9.851 6.208 1.00 0.11 C ATOM 0 H LEU A 18 5.936 -8.219 2.491 1.00 0.12 H new ATOM 0 HA LEU A 18 5.878 -10.391 4.251 1.00 0.12 H new ATOM 0 HB2 LEU A 18 5.656 -7.399 4.498 1.00 0.14 H new ATOM 0 HB3 LEU A 18 5.175 -8.329 5.903 1.00 0.14 H new ATOM 0 HG LEU A 18 7.855 -8.641 4.462 1.00 0.10 H new ATOM 0 HD11 LEU A 18 8.794 -7.480 6.462 1.00 0.14 H new ATOM 0 HD12 LEU A 18 7.638 -6.437 5.600 1.00 0.14 H new ATOM 0 HD13 LEU A 18 7.148 -7.259 7.101 1.00 0.14 H new ATOM 0 HD21 LEU A 18 8.496 -9.975 6.466 1.00 0.11 H new ATOM 0 HD22 LEU A 18 6.852 -9.782 7.121 1.00 0.11 H new ATOM 0 HD23 LEU A 18 7.110 -10.708 5.623 1.00 0.11 H new ATOM 283 N PHE A 19 2.894 -9.292 3.585 1.00 0.13 N ATOM 284 CA PHE A 19 1.436 -9.537 3.843 1.00 0.16 C ATOM 285 C PHE A 19 0.775 -10.168 2.617 1.00 0.18 C ATOM 286 O PHE A 19 -0.420 -10.058 2.423 1.00 0.26 O ATOM 287 CB PHE A 19 0.769 -8.204 4.165 1.00 0.18 C ATOM 288 CG PHE A 19 1.444 -7.615 5.376 1.00 0.17 C ATOM 289 CD1 PHE A 19 2.633 -6.893 5.228 1.00 0.16 C ATOM 290 CD2 PHE A 19 0.889 -7.801 6.645 1.00 0.16 C ATOM 291 CE1 PHE A 19 3.269 -6.354 6.353 1.00 0.16 C ATOM 292 CE2 PHE A 19 1.523 -7.264 7.771 1.00 0.16 C ATOM 293 CZ PHE A 19 2.714 -6.540 7.624 1.00 0.16 C ATOM 0 H PHE A 19 3.095 -8.715 2.768 1.00 0.13 H new ATOM 0 HA PHE A 19 1.324 -10.224 4.682 1.00 0.16 H new ATOM 0 HB2 PHE A 19 0.851 -7.524 3.317 1.00 0.18 H new ATOM 0 HB3 PHE A 19 -0.294 -8.348 4.356 1.00 0.18 H new ATOM 0 HD1 PHE A 19 3.060 -6.751 4.246 1.00 0.16 H new ATOM 0 HD2 PHE A 19 -0.029 -8.359 6.757 1.00 0.16 H new ATOM 0 HE1 PHE A 19 4.186 -5.796 6.240 1.00 0.16 H new ATOM 0 HE2 PHE A 19 1.095 -7.407 8.752 1.00 0.16 H new ATOM 0 HZ PHE A 19 3.204 -6.125 8.493 1.00 0.16 H new ATOM 303 N ASP A 20 1.536 -10.846 1.798 1.00 0.11 N ATOM 304 CA ASP A 20 0.955 -11.509 0.591 1.00 0.14 C ATOM 305 C ASP A 20 0.758 -12.997 0.903 1.00 0.24 C ATOM 306 O ASP A 20 1.458 -13.849 0.392 1.00 0.26 O ATOM 307 CB ASP A 20 1.921 -11.359 -0.587 1.00 0.06 C ATOM 308 CG ASP A 20 1.404 -12.166 -1.778 1.00 0.07 C ATOM 309 OD1 ASP A 20 0.293 -12.664 -1.693 1.00 1.19 O ATOM 310 OD2 ASP A 20 2.129 -12.276 -2.754 1.00 1.06 O ATOM 0 H ASP A 20 2.542 -10.970 1.914 1.00 0.11 H new ATOM 0 HA ASP A 20 0.001 -11.050 0.332 1.00 0.14 H new ATOM 0 HB2 ASP A 20 2.017 -10.308 -0.861 1.00 0.06 H new ATOM 0 HB3 ASP A 20 2.914 -11.706 -0.303 1.00 0.06 H new ATOM 315 N LYS A 21 -0.173 -13.307 1.764 1.00 0.33 N ATOM 316 CA LYS A 21 -0.410 -14.732 2.151 1.00 0.44 C ATOM 317 C LYS A 21 -1.046 -15.513 1.004 1.00 0.39 C ATOM 318 O LYS A 21 -1.255 -16.706 1.093 1.00 0.40 O ATOM 319 CB LYS A 21 -1.341 -14.779 3.364 1.00 0.58 C ATOM 320 CG LYS A 21 -0.745 -13.967 4.526 1.00 0.65 C ATOM 321 CD LYS A 21 0.288 -14.809 5.285 1.00 0.77 C ATOM 322 CE LYS A 21 0.782 -14.033 6.508 1.00 0.80 C ATOM 323 NZ LYS A 21 1.718 -12.960 6.069 1.00 1.98 N ATOM 0 H LYS A 21 -0.785 -12.631 2.220 1.00 0.33 H new ATOM 0 HA LYS A 21 0.551 -15.187 2.392 1.00 0.44 H new ATOM 0 HB2 LYS A 21 -2.319 -14.379 3.096 1.00 0.58 H new ATOM 0 HB3 LYS A 21 -1.493 -15.813 3.674 1.00 0.58 H new ATOM 0 HG2 LYS A 21 -0.276 -13.061 4.143 1.00 0.65 H new ATOM 0 HG3 LYS A 21 -1.538 -13.653 5.204 1.00 0.65 H new ATOM 0 HD2 LYS A 21 -0.156 -15.754 5.596 1.00 0.77 H new ATOM 0 HD3 LYS A 21 1.126 -15.051 4.632 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -0.063 -13.598 7.042 1.00 0.80 H new ATOM 0 HE3 LYS A 21 1.284 -14.707 7.202 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 2.133 -12.498 6.904 1.00 1.98 H new ATOM 0 HZ2 LYS A 21 2.476 -13.376 5.491 1.00 1.98 H new ATOM 0 HZ3 LYS A 21 1.199 -12.256 5.506 1.00 1.98 H new ATOM 337 N ASP A 22 -1.359 -14.848 -0.064 1.00 0.35 N ATOM 338 CA ASP A 22 -1.994 -15.536 -1.233 1.00 0.32 C ATOM 339 C ASP A 22 -0.936 -15.827 -2.303 1.00 0.27 C ATOM 340 O ASP A 22 -1.233 -16.367 -3.350 1.00 0.22 O ATOM 341 CB ASP A 22 -3.078 -14.628 -1.820 1.00 0.33 C ATOM 342 CG ASP A 22 -4.193 -14.432 -0.790 1.00 0.39 C ATOM 343 OD1 ASP A 22 -4.013 -13.618 0.101 1.00 1.12 O ATOM 344 OD2 ASP A 22 -5.207 -15.099 -0.910 1.00 1.35 O ATOM 0 H ASP A 22 -1.204 -13.847 -0.187 1.00 0.35 H new ATOM 0 HA ASP A 22 -2.437 -16.476 -0.905 1.00 0.32 H new ATOM 0 HB2 ASP A 22 -2.650 -13.664 -2.096 1.00 0.33 H new ATOM 0 HB3 ASP A 22 -3.483 -15.069 -2.731 1.00 0.33 H new ATOM 349 N GLY A 23 0.300 -15.478 -2.052 1.00 0.30 N ATOM 350 CA GLY A 23 1.372 -15.742 -3.056 1.00 0.28 C ATOM 351 C GLY A 23 0.903 -15.267 -4.429 1.00 0.21 C ATOM 352 O GLY A 23 1.404 -15.693 -5.452 1.00 0.17 O ATOM 0 H GLY A 23 0.612 -15.022 -1.195 1.00 0.30 H new ATOM 0 HA2 GLY A 23 2.288 -15.224 -2.772 1.00 0.28 H new ATOM 0 HA3 GLY A 23 1.604 -16.807 -3.086 1.00 0.28 H new ATOM 356 N ASP A 24 -0.063 -14.389 -4.458 1.00 0.21 N ATOM 357 CA ASP A 24 -0.588 -13.873 -5.759 1.00 0.17 C ATOM 358 C ASP A 24 0.002 -12.490 -6.042 1.00 0.19 C ATOM 359 O ASP A 24 -0.362 -11.839 -7.001 1.00 0.18 O ATOM 360 CB ASP A 24 -2.114 -13.766 -5.683 1.00 0.21 C ATOM 361 CG ASP A 24 -2.683 -13.565 -7.090 1.00 0.22 C ATOM 362 OD1 ASP A 24 -2.301 -14.313 -7.973 1.00 1.21 O ATOM 363 OD2 ASP A 24 -3.493 -12.667 -7.256 1.00 0.97 O ATOM 0 H ASP A 24 -0.516 -14.003 -3.630 1.00 0.21 H new ATOM 0 HA ASP A 24 -0.306 -14.557 -6.559 1.00 0.17 H new ATOM 0 HB2 ASP A 24 -2.531 -14.669 -5.236 1.00 0.21 H new ATOM 0 HB3 ASP A 24 -2.399 -12.932 -5.041 1.00 0.21 H new ATOM 368 N GLY A 25 0.904 -12.030 -5.217 1.00 0.22 N ATOM 369 CA GLY A 25 1.501 -10.685 -5.454 1.00 0.25 C ATOM 370 C GLY A 25 0.470 -9.605 -5.098 1.00 0.23 C ATOM 371 O GLY A 25 0.502 -8.513 -5.630 1.00 0.23 O ATOM 0 H GLY A 25 1.251 -12.524 -4.395 1.00 0.22 H new ATOM 0 HA2 GLY A 25 2.399 -10.561 -4.849 1.00 0.25 H new ATOM 0 HA3 GLY A 25 1.803 -10.587 -6.497 1.00 0.25 H new ATOM 375 N THR A 26 -0.450 -9.899 -4.202 1.00 0.22 N ATOM 376 CA THR A 26 -1.484 -8.889 -3.815 1.00 0.19 C ATOM 377 C THR A 26 -1.734 -8.954 -2.306 1.00 0.18 C ATOM 378 O THR A 26 -1.304 -9.869 -1.631 1.00 0.21 O ATOM 379 CB THR A 26 -2.796 -9.180 -4.551 1.00 0.19 C ATOM 380 OG1 THR A 26 -3.296 -10.446 -4.145 1.00 0.23 O ATOM 381 CG2 THR A 26 -2.550 -9.185 -6.061 1.00 0.26 C ATOM 0 H THR A 26 -0.526 -10.797 -3.724 1.00 0.22 H new ATOM 0 HA THR A 26 -1.124 -7.896 -4.085 1.00 0.19 H new ATOM 0 HB THR A 26 -3.525 -8.407 -4.309 1.00 0.19 H new ATOM 0 HG1 THR A 26 -4.136 -10.632 -4.614 1.00 0.23 H new ATOM 0 HG21 THR A 26 -3.485 -9.392 -6.581 1.00 0.26 H new ATOM 0 HG22 THR A 26 -2.170 -8.211 -6.371 1.00 0.26 H new ATOM 0 HG23 THR A 26 -1.819 -9.955 -6.308 1.00 0.26 H new ATOM 389 N ILE A 27 -2.438 -7.987 -1.772 1.00 0.14 N ATOM 390 CA ILE A 27 -2.743 -7.973 -0.307 1.00 0.13 C ATOM 391 C ILE A 27 -4.184 -7.498 -0.117 1.00 0.10 C ATOM 392 O ILE A 27 -4.805 -7.012 -1.041 1.00 0.10 O ATOM 393 CB ILE A 27 -1.784 -7.018 0.417 1.00 0.12 C ATOM 394 CG1 ILE A 27 -1.903 -5.608 -0.184 1.00 0.11 C ATOM 395 CG2 ILE A 27 -0.348 -7.527 0.263 1.00 0.14 C ATOM 396 CD1 ILE A 27 -0.953 -4.652 0.539 1.00 0.14 C ATOM 0 H ILE A 27 -2.819 -7.198 -2.294 1.00 0.14 H new ATOM 0 HA ILE A 27 -2.620 -8.973 0.108 1.00 0.13 H new ATOM 0 HB ILE A 27 -2.043 -6.977 1.475 1.00 0.12 H new ATOM 0 HG12 ILE A 27 -1.666 -5.635 -1.247 1.00 0.11 H new ATOM 0 HG13 ILE A 27 -2.929 -5.251 -0.096 1.00 0.11 H new ATOM 0 HG21 ILE A 27 0.335 -6.850 0.776 1.00 0.14 H new ATOM 0 HG22 ILE A 27 -0.267 -8.523 0.698 1.00 0.14 H new ATOM 0 HG23 ILE A 27 -0.089 -7.570 -0.795 1.00 0.14 H new ATOM 0 HD11 ILE A 27 -1.043 -3.655 0.108 1.00 0.14 H new ATOM 0 HD12 ILE A 27 -1.211 -4.614 1.597 1.00 0.14 H new ATOM 0 HD13 ILE A 27 0.072 -5.005 0.428 1.00 0.14 H new ATOM 408 N THR A 28 -4.729 -7.632 1.063 1.00 0.12 N ATOM 409 CA THR A 28 -6.135 -7.184 1.284 1.00 0.10 C ATOM 410 C THR A 28 -6.161 -5.750 1.792 1.00 0.05 C ATOM 411 O THR A 28 -5.157 -5.200 2.201 1.00 0.06 O ATOM 412 CB THR A 28 -6.806 -8.070 2.327 1.00 0.14 C ATOM 413 OG1 THR A 28 -6.514 -7.576 3.629 1.00 0.12 O ATOM 414 CG2 THR A 28 -6.287 -9.498 2.200 1.00 0.19 C ATOM 0 H THR A 28 -4.264 -8.030 1.879 1.00 0.12 H new ATOM 0 HA THR A 28 -6.665 -7.251 0.334 1.00 0.10 H new ATOM 0 HB THR A 28 -7.884 -8.061 2.166 1.00 0.14 H new ATOM 0 HG1 THR A 28 -6.808 -8.227 4.300 1.00 0.12 H new ATOM 0 HG21 THR A 28 -6.769 -10.128 2.947 1.00 0.19 H new ATOM 0 HG22 THR A 28 -6.512 -9.880 1.204 1.00 0.19 H new ATOM 0 HG23 THR A 28 -5.209 -9.509 2.358 1.00 0.19 H new ATOM 422 N THR A 29 -7.316 -5.150 1.789 1.00 0.08 N ATOM 423 CA THR A 29 -7.439 -3.760 2.290 1.00 0.10 C ATOM 424 C THR A 29 -7.280 -3.762 3.816 1.00 0.11 C ATOM 425 O THR A 29 -6.806 -2.808 4.400 1.00 0.13 O ATOM 426 CB THR A 29 -8.827 -3.225 1.923 1.00 0.15 C ATOM 427 OG1 THR A 29 -9.797 -4.238 2.157 1.00 0.18 O ATOM 428 CG2 THR A 29 -8.864 -2.817 0.448 1.00 0.14 C ATOM 0 H THR A 29 -8.185 -5.568 1.458 1.00 0.08 H new ATOM 0 HA THR A 29 -6.670 -3.130 1.844 1.00 0.10 H new ATOM 0 HB THR A 29 -9.046 -2.352 2.537 1.00 0.15 H new ATOM 0 HG1 THR A 29 -10.687 -3.899 1.925 1.00 0.18 H new ATOM 0 HG21 THR A 29 -9.856 -2.439 0.200 1.00 0.14 H new ATOM 0 HG22 THR A 29 -8.123 -2.039 0.267 1.00 0.14 H new ATOM 0 HG23 THR A 29 -8.640 -3.683 -0.175 1.00 0.14 H new ATOM 436 N LYS A 30 -7.684 -4.823 4.463 1.00 0.11 N ATOM 437 CA LYS A 30 -7.568 -4.886 5.947 1.00 0.12 C ATOM 438 C LYS A 30 -6.101 -4.801 6.367 1.00 0.11 C ATOM 439 O LYS A 30 -5.788 -4.404 7.471 1.00 0.15 O ATOM 440 CB LYS A 30 -8.160 -6.208 6.447 1.00 0.13 C ATOM 441 CG LYS A 30 -9.675 -6.200 6.248 1.00 0.15 C ATOM 442 CD LYS A 30 -10.271 -7.492 6.816 1.00 0.52 C ATOM 443 CE LYS A 30 -11.760 -7.565 6.473 1.00 0.75 C ATOM 444 NZ LYS A 30 -12.515 -6.597 7.318 1.00 1.06 N ATOM 0 H LYS A 30 -8.090 -5.650 4.025 1.00 0.11 H new ATOM 0 HA LYS A 30 -8.112 -4.047 6.380 1.00 0.12 H new ATOM 0 HB2 LYS A 30 -7.717 -7.044 5.906 1.00 0.13 H new ATOM 0 HB3 LYS A 30 -7.922 -6.349 7.501 1.00 0.13 H new ATOM 0 HG2 LYS A 30 -10.113 -5.335 6.746 1.00 0.15 H new ATOM 0 HG3 LYS A 30 -9.913 -6.112 5.188 1.00 0.15 H new ATOM 0 HD2 LYS A 30 -9.750 -8.356 6.404 1.00 0.52 H new ATOM 0 HD3 LYS A 30 -10.135 -7.523 7.897 1.00 0.52 H new ATOM 0 HE2 LYS A 30 -11.912 -7.338 5.418 1.00 0.75 H new ATOM 0 HE3 LYS A 30 -12.133 -8.576 6.639 1.00 0.75 H new ATOM 0 HZ1 LYS A 30 -13.534 -6.695 7.133 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -12.325 -6.791 8.322 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -12.214 -5.628 7.090 1.00 1.06 H new ATOM 458 N GLU A 31 -5.198 -5.189 5.504 1.00 0.07 N ATOM 459 CA GLU A 31 -3.742 -5.146 5.866 1.00 0.10 C ATOM 460 C GLU A 31 -3.078 -3.897 5.273 1.00 0.16 C ATOM 461 O GLU A 31 -1.902 -3.670 5.464 1.00 0.38 O ATOM 462 CB GLU A 31 -3.043 -6.387 5.305 1.00 0.08 C ATOM 463 CG GLU A 31 -3.753 -7.652 5.793 1.00 0.03 C ATOM 464 CD GLU A 31 -3.266 -8.856 4.983 1.00 0.11 C ATOM 465 OE1 GLU A 31 -3.259 -8.762 3.766 1.00 0.19 O ATOM 466 OE2 GLU A 31 -2.911 -9.849 5.593 1.00 0.11 O ATOM 0 H GLU A 31 -5.401 -5.534 4.566 1.00 0.07 H new ATOM 0 HA GLU A 31 -3.654 -5.119 6.952 1.00 0.10 H new ATOM 0 HB2 GLU A 31 -3.046 -6.355 4.215 1.00 0.08 H new ATOM 0 HB3 GLU A 31 -2.000 -6.401 5.620 1.00 0.08 H new ATOM 0 HG2 GLU A 31 -3.553 -7.808 6.853 1.00 0.03 H new ATOM 0 HG3 GLU A 31 -4.832 -7.541 5.686 1.00 0.03 H new ATOM 473 N LEU A 32 -3.808 -3.089 4.553 1.00 0.08 N ATOM 474 CA LEU A 32 -3.188 -1.872 3.950 1.00 0.06 C ATOM 475 C LEU A 32 -2.549 -1.012 5.046 1.00 0.08 C ATOM 476 O LEU A 32 -1.404 -0.617 4.943 1.00 0.09 O ATOM 477 CB LEU A 32 -4.262 -1.056 3.214 1.00 0.07 C ATOM 478 CG LEU A 32 -3.688 0.292 2.746 1.00 0.13 C ATOM 479 CD1 LEU A 32 -2.403 0.066 1.937 1.00 0.16 C ATOM 480 CD2 LEU A 32 -4.725 1.004 1.873 1.00 0.14 C ATOM 0 H LEU A 32 -4.801 -3.217 4.356 1.00 0.08 H new ATOM 0 HA LEU A 32 -2.417 -2.178 3.243 1.00 0.06 H new ATOM 0 HB2 LEU A 32 -4.630 -1.619 2.356 1.00 0.07 H new ATOM 0 HB3 LEU A 32 -5.113 -0.886 3.873 1.00 0.07 H new ATOM 0 HG LEU A 32 -3.454 0.905 3.616 1.00 0.13 H new ATOM 0 HD11 LEU A 32 -2.005 1.027 1.610 1.00 0.16 H new ATOM 0 HD12 LEU A 32 -1.665 -0.440 2.560 1.00 0.16 H new ATOM 0 HD13 LEU A 32 -2.625 -0.550 1.065 1.00 0.16 H new ATOM 0 HD21 LEU A 32 -4.324 1.961 1.538 1.00 0.14 H new ATOM 0 HD22 LEU A 32 -4.958 0.385 1.007 1.00 0.14 H new ATOM 0 HD23 LEU A 32 -5.633 1.174 2.452 1.00 0.14 H new ATOM 492 N GLY A 33 -3.274 -0.709 6.085 1.00 0.10 N ATOM 493 CA GLY A 33 -2.696 0.135 7.167 1.00 0.13 C ATOM 494 C GLY A 33 -1.535 -0.601 7.828 1.00 0.11 C ATOM 495 O GLY A 33 -0.645 0.003 8.390 1.00 0.14 O ATOM 0 H GLY A 33 -4.238 -1.008 6.232 1.00 0.10 H new ATOM 0 HA2 GLY A 33 -2.351 1.084 6.756 1.00 0.13 H new ATOM 0 HA3 GLY A 33 -3.461 0.368 7.908 1.00 0.13 H new ATOM 499 N THR A 34 -1.532 -1.904 7.767 1.00 0.08 N ATOM 500 CA THR A 34 -0.423 -2.669 8.399 1.00 0.07 C ATOM 501 C THR A 34 0.854 -2.492 7.577 1.00 0.05 C ATOM 502 O THR A 34 1.930 -2.321 8.116 1.00 0.05 O ATOM 503 CB THR A 34 -0.807 -4.155 8.469 1.00 0.09 C ATOM 504 OG1 THR A 34 -2.179 -4.266 8.814 1.00 0.16 O ATOM 505 CG2 THR A 34 0.043 -4.872 9.522 1.00 0.10 C ATOM 0 H THR A 34 -2.247 -2.469 7.309 1.00 0.08 H new ATOM 0 HA THR A 34 -0.247 -2.298 9.408 1.00 0.07 H new ATOM 0 HB THR A 34 -0.629 -4.617 7.498 1.00 0.09 H new ATOM 0 HG1 THR A 34 -2.430 -5.212 8.858 1.00 0.16 H new ATOM 0 HG21 THR A 34 -0.239 -5.924 9.562 1.00 0.10 H new ATOM 0 HG22 THR A 34 1.097 -4.788 9.257 1.00 0.10 H new ATOM 0 HG23 THR A 34 -0.124 -4.414 10.497 1.00 0.10 H new ATOM 513 N VAL A 35 0.748 -2.523 6.280 1.00 0.06 N ATOM 514 CA VAL A 35 1.962 -2.342 5.434 1.00 0.09 C ATOM 515 C VAL A 35 2.477 -0.915 5.604 1.00 0.11 C ATOM 516 O VAL A 35 3.650 -0.685 5.835 1.00 0.13 O ATOM 517 CB VAL A 35 1.613 -2.582 3.962 1.00 0.11 C ATOM 518 CG1 VAL A 35 2.882 -2.467 3.117 1.00 0.05 C ATOM 519 CG2 VAL A 35 1.014 -3.982 3.795 1.00 0.21 C ATOM 0 H VAL A 35 -0.123 -2.665 5.768 1.00 0.06 H new ATOM 0 HA VAL A 35 2.727 -3.055 5.740 1.00 0.09 H new ATOM 0 HB VAL A 35 0.886 -1.838 3.636 1.00 0.11 H new ATOM 0 HG11 VAL A 35 2.638 -2.637 2.068 1.00 0.05 H new ATOM 0 HG12 VAL A 35 3.307 -1.470 3.233 1.00 0.05 H new ATOM 0 HG13 VAL A 35 3.607 -3.211 3.446 1.00 0.05 H new ATOM 0 HG21 VAL A 35 0.767 -4.149 2.747 1.00 0.21 H new ATOM 0 HG22 VAL A 35 1.738 -4.729 4.121 1.00 0.21 H new ATOM 0 HG23 VAL A 35 0.110 -4.065 4.399 1.00 0.21 H new ATOM 529 N MET A 36 1.608 0.051 5.495 1.00 0.12 N ATOM 530 CA MET A 36 2.045 1.462 5.655 1.00 0.14 C ATOM 531 C MET A 36 2.643 1.650 7.049 1.00 0.20 C ATOM 532 O MET A 36 3.563 2.418 7.240 1.00 0.26 O ATOM 533 CB MET A 36 0.836 2.387 5.478 1.00 0.12 C ATOM 534 CG MET A 36 0.466 2.500 3.987 1.00 0.06 C ATOM 535 SD MET A 36 1.294 3.939 3.261 1.00 0.61 S ATOM 536 CE MET A 36 0.018 4.348 2.045 1.00 0.11 C ATOM 0 H MET A 36 0.615 -0.078 5.302 1.00 0.12 H new ATOM 0 HA MET A 36 2.798 1.705 4.905 1.00 0.14 H new ATOM 0 HB2 MET A 36 -0.013 2.000 6.042 1.00 0.12 H new ATOM 0 HB3 MET A 36 1.063 3.375 5.880 1.00 0.12 H new ATOM 0 HG2 MET A 36 0.762 1.593 3.459 1.00 0.06 H new ATOM 0 HG3 MET A 36 -0.614 2.595 3.876 1.00 0.06 H new ATOM 0 HE1 MET A 36 0.481 4.812 1.174 1.00 0.11 H new ATOM 0 HE2 MET A 36 -0.499 3.438 1.740 1.00 0.11 H new ATOM 0 HE3 MET A 36 -0.697 5.041 2.488 1.00 0.11 H new ATOM 546 N ARG A 37 2.127 0.953 8.027 1.00 0.18 N ATOM 547 CA ARG A 37 2.674 1.094 9.407 1.00 0.23 C ATOM 548 C ARG A 37 4.078 0.488 9.464 1.00 0.25 C ATOM 549 O ARG A 37 4.912 0.908 10.243 1.00 0.31 O ATOM 550 CB ARG A 37 1.746 0.381 10.401 1.00 0.25 C ATOM 551 CG ARG A 37 0.550 1.285 10.720 1.00 0.26 C ATOM 552 CD ARG A 37 -0.539 0.473 11.423 1.00 1.20 C ATOM 553 NE ARG A 37 0.084 -0.424 12.437 1.00 1.03 N ATOM 554 CZ ARG A 37 -0.655 -0.972 13.361 1.00 1.43 C ATOM 555 NH1 ARG A 37 -1.938 -0.734 13.399 1.00 2.01 N ATOM 556 NH2 ARG A 37 -0.110 -1.761 14.247 1.00 1.48 N ATOM 0 H ARG A 37 1.354 0.295 7.930 1.00 0.18 H new ATOM 0 HA ARG A 37 2.733 2.149 9.673 1.00 0.23 H new ATOM 0 HB2 ARG A 37 1.400 -0.563 9.980 1.00 0.25 H new ATOM 0 HB3 ARG A 37 2.289 0.142 11.315 1.00 0.25 H new ATOM 0 HG2 ARG A 37 0.867 2.112 11.355 1.00 0.26 H new ATOM 0 HG3 ARG A 37 0.156 1.721 9.802 1.00 0.26 H new ATOM 0 HD2 ARG A 37 -1.253 1.142 11.904 1.00 1.20 H new ATOM 0 HD3 ARG A 37 -1.095 -0.116 10.694 1.00 1.20 H new ATOM 0 HE ARG A 37 1.087 -0.609 12.408 1.00 1.03 H new ATOM 0 HH11 ARG A 37 -2.363 -0.119 12.705 1.00 2.01 H new ATOM 0 HH12 ARG A 37 -2.515 -1.163 14.122 1.00 2.01 H new ATOM 0 HH21 ARG A 37 0.892 -1.948 14.216 1.00 1.48 H new ATOM 0 HH22 ARG A 37 -0.686 -2.191 14.971 1.00 1.48 H new ATOM 570 N SER A 38 4.359 -0.486 8.641 1.00 0.21 N ATOM 571 CA SER A 38 5.718 -1.092 8.655 1.00 0.24 C ATOM 572 C SER A 38 6.733 -0.052 8.174 1.00 0.25 C ATOM 573 O SER A 38 7.867 -0.026 8.611 1.00 0.30 O ATOM 574 CB SER A 38 5.746 -2.307 7.723 1.00 0.22 C ATOM 575 OG SER A 38 6.054 -1.878 6.404 1.00 0.25 O ATOM 0 H SER A 38 3.709 -0.885 7.964 1.00 0.21 H new ATOM 0 HA SER A 38 5.970 -1.410 9.667 1.00 0.24 H new ATOM 0 HB2 SER A 38 6.489 -3.027 8.067 1.00 0.22 H new ATOM 0 HB3 SER A 38 4.781 -2.813 7.737 1.00 0.22 H new ATOM 0 HG SER A 38 5.280 -1.413 6.022 1.00 0.25 H new ATOM 581 N LEU A 39 6.335 0.807 7.274 1.00 0.21 N ATOM 582 CA LEU A 39 7.275 1.848 6.763 1.00 0.23 C ATOM 583 C LEU A 39 7.355 3.007 7.761 1.00 0.25 C ATOM 584 O LEU A 39 8.050 3.978 7.541 1.00 0.26 O ATOM 585 CB LEU A 39 6.776 2.367 5.412 1.00 0.21 C ATOM 586 CG LEU A 39 6.466 1.185 4.489 1.00 0.20 C ATOM 587 CD1 LEU A 39 5.952 1.709 3.146 1.00 0.17 C ATOM 588 CD2 LEU A 39 7.739 0.354 4.262 1.00 0.24 C ATOM 0 H LEU A 39 5.399 0.833 6.870 1.00 0.21 H new ATOM 0 HA LEU A 39 8.266 1.411 6.641 1.00 0.23 H new ATOM 0 HB2 LEU A 39 5.883 2.975 5.553 1.00 0.21 H new ATOM 0 HB3 LEU A 39 7.530 3.009 4.957 1.00 0.21 H new ATOM 0 HG LEU A 39 5.705 0.557 4.952 1.00 0.20 H new ATOM 0 HD11 LEU A 39 5.731 0.869 2.488 1.00 0.17 H new ATOM 0 HD12 LEU A 39 5.045 2.293 3.306 1.00 0.17 H new ATOM 0 HD13 LEU A 39 6.713 2.339 2.686 1.00 0.17 H new ATOM 0 HD21 LEU A 39 7.513 -0.486 3.605 1.00 0.24 H new ATOM 0 HD22 LEU A 39 8.504 0.979 3.802 1.00 0.24 H new ATOM 0 HD23 LEU A 39 8.104 -0.022 5.218 1.00 0.24 H new ATOM 600 N GLY A 40 6.660 2.909 8.865 1.00 0.24 N ATOM 601 CA GLY A 40 6.710 4.000 9.885 1.00 0.26 C ATOM 602 C GLY A 40 5.657 5.073 9.579 1.00 0.25 C ATOM 603 O GLY A 40 5.737 6.182 10.067 1.00 0.25 O ATOM 0 H GLY A 40 6.059 2.120 9.105 1.00 0.24 H new ATOM 0 HA2 GLY A 40 6.537 3.585 10.878 1.00 0.26 H new ATOM 0 HA3 GLY A 40 7.703 4.450 9.896 1.00 0.26 H new ATOM 607 N GLN A 41 4.667 4.753 8.782 1.00 0.23 N ATOM 608 CA GLN A 41 3.603 5.756 8.454 1.00 0.22 C ATOM 609 C GLN A 41 2.373 5.478 9.322 1.00 0.23 C ATOM 610 O GLN A 41 2.042 4.342 9.585 1.00 0.24 O ATOM 611 CB GLN A 41 3.227 5.625 6.977 1.00 0.21 C ATOM 612 CG GLN A 41 4.480 5.793 6.113 1.00 0.27 C ATOM 613 CD GLN A 41 4.975 7.239 6.202 1.00 1.05 C ATOM 614 OE1 GLN A 41 5.583 7.626 7.182 1.00 2.47 O ATOM 615 NE2 GLN A 41 4.742 8.057 5.215 1.00 0.86 N ATOM 0 H GLN A 41 4.549 3.840 8.343 1.00 0.23 H new ATOM 0 HA GLN A 41 3.968 6.765 8.647 1.00 0.22 H new ATOM 0 HB2 GLN A 41 2.773 4.652 6.792 1.00 0.21 H new ATOM 0 HB3 GLN A 41 2.486 6.379 6.711 1.00 0.21 H new ATOM 0 HG2 GLN A 41 5.260 5.110 6.449 1.00 0.27 H new ATOM 0 HG3 GLN A 41 4.257 5.537 5.077 1.00 0.27 H new ATOM 0 HE21 GLN A 41 4.232 7.733 4.393 1.00 0.86 H new ATOM 0 HE22 GLN A 41 5.069 9.022 5.264 1.00 0.86 H new ATOM 624 N ASN A 42 1.692 6.503 9.775 1.00 0.22 N ATOM 625 CA ASN A 42 0.484 6.290 10.640 1.00 0.23 C ATOM 626 C ASN A 42 -0.670 7.190 10.169 1.00 0.22 C ATOM 627 O ASN A 42 -0.983 8.164 10.824 1.00 0.21 O ATOM 628 CB ASN A 42 0.837 6.650 12.084 1.00 0.25 C ATOM 629 CG ASN A 42 -0.360 6.363 12.989 1.00 0.38 C ATOM 630 OD1 ASN A 42 -1.272 7.161 13.081 1.00 1.25 O ATOM 631 ND2 ASN A 42 -0.399 5.249 13.667 1.00 0.56 N ATOM 0 H ASN A 42 1.919 7.479 9.584 1.00 0.22 H new ATOM 0 HA ASN A 42 0.175 5.247 10.573 1.00 0.23 H new ATOM 0 HB2 ASN A 42 1.701 6.073 12.413 1.00 0.25 H new ATOM 0 HB3 ASN A 42 1.112 7.703 12.151 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -1.194 5.049 14.273 1.00 0.56 H new ATOM 0 HD22 ASN A 42 0.366 4.578 13.591 1.00 0.56 H new ATOM 638 N PRO A 43 -1.281 6.841 9.057 1.00 0.21 N ATOM 639 CA PRO A 43 -2.406 7.627 8.522 1.00 0.19 C ATOM 640 C PRO A 43 -3.631 7.414 9.422 1.00 0.20 C ATOM 641 O PRO A 43 -3.794 6.362 10.008 1.00 0.22 O ATOM 642 CB PRO A 43 -2.648 7.052 7.107 1.00 0.20 C ATOM 643 CG PRO A 43 -1.770 5.772 6.969 1.00 0.22 C ATOM 644 CD PRO A 43 -0.907 5.660 8.248 1.00 0.22 C ATOM 0 HA PRO A 43 -2.210 8.699 8.487 1.00 0.19 H new ATOM 0 HB2 PRO A 43 -3.702 6.812 6.965 1.00 0.20 H new ATOM 0 HB3 PRO A 43 -2.382 7.784 6.344 1.00 0.20 H new ATOM 0 HG2 PRO A 43 -2.397 4.888 6.851 1.00 0.22 H new ATOM 0 HG3 PRO A 43 -1.137 5.835 6.084 1.00 0.22 H new ATOM 0 HD2 PRO A 43 -1.111 4.733 8.783 1.00 0.22 H new ATOM 0 HD3 PRO A 43 0.157 5.664 8.010 1.00 0.22 H new ATOM 652 N THR A 44 -4.497 8.383 9.535 1.00 0.19 N ATOM 653 CA THR A 44 -5.693 8.181 10.397 1.00 0.20 C ATOM 654 C THR A 44 -6.612 7.169 9.723 1.00 0.20 C ATOM 655 O THR A 44 -6.453 6.848 8.563 1.00 0.25 O ATOM 656 CB THR A 44 -6.444 9.500 10.589 1.00 0.19 C ATOM 657 OG1 THR A 44 -6.648 10.116 9.328 1.00 0.15 O ATOM 658 CG2 THR A 44 -5.632 10.431 11.492 1.00 0.27 C ATOM 0 H THR A 44 -4.430 9.291 9.076 1.00 0.19 H new ATOM 0 HA THR A 44 -5.377 7.817 11.374 1.00 0.20 H new ATOM 0 HB THR A 44 -7.409 9.301 11.056 1.00 0.19 H new ATOM 0 HG1 THR A 44 -7.130 10.960 9.451 1.00 0.15 H new ATOM 0 HG21 THR A 44 -6.171 11.369 11.626 1.00 0.27 H new ATOM 0 HG22 THR A 44 -5.482 9.957 12.462 1.00 0.27 H new ATOM 0 HG23 THR A 44 -4.664 10.631 11.032 1.00 0.27 H new ATOM 666 N GLU A 45 -7.573 6.665 10.439 1.00 0.19 N ATOM 667 CA GLU A 45 -8.500 5.670 9.841 1.00 0.21 C ATOM 668 C GLU A 45 -9.233 6.294 8.653 1.00 0.23 C ATOM 669 O GLU A 45 -9.458 5.651 7.649 1.00 0.27 O ATOM 670 CB GLU A 45 -9.513 5.239 10.901 1.00 0.22 C ATOM 671 CG GLU A 45 -8.841 4.284 11.890 1.00 0.21 C ATOM 672 CD GLU A 45 -8.580 2.941 11.206 1.00 1.36 C ATOM 673 OE1 GLU A 45 -9.503 2.414 10.606 1.00 1.85 O ATOM 674 OE2 GLU A 45 -7.462 2.462 11.294 1.00 2.25 O ATOM 0 H GLU A 45 -7.757 6.899 11.414 1.00 0.19 H new ATOM 0 HA GLU A 45 -7.936 4.804 9.494 1.00 0.21 H new ATOM 0 HB2 GLU A 45 -9.899 6.112 11.427 1.00 0.22 H new ATOM 0 HB3 GLU A 45 -10.365 4.750 10.428 1.00 0.22 H new ATOM 0 HG2 GLU A 45 -7.903 4.712 12.245 1.00 0.21 H new ATOM 0 HG3 GLU A 45 -9.477 4.142 12.764 1.00 0.21 H new ATOM 681 N ALA A 46 -9.606 7.541 8.757 1.00 0.22 N ATOM 682 CA ALA A 46 -10.323 8.187 7.625 1.00 0.24 C ATOM 683 C ALA A 46 -9.382 8.292 6.422 1.00 0.23 C ATOM 684 O ALA A 46 -9.773 8.041 5.300 1.00 0.28 O ATOM 685 CB ALA A 46 -10.806 9.581 8.046 1.00 0.23 C ATOM 0 H ALA A 46 -9.446 8.135 9.571 1.00 0.22 H new ATOM 0 HA ALA A 46 -11.189 7.586 7.349 1.00 0.24 H new ATOM 0 HB1 ALA A 46 -11.331 10.051 7.214 1.00 0.23 H new ATOM 0 HB2 ALA A 46 -11.482 9.490 8.896 1.00 0.23 H new ATOM 0 HB3 ALA A 46 -9.949 10.193 8.327 1.00 0.23 H new ATOM 691 N GLU A 47 -8.141 8.639 6.639 1.00 0.19 N ATOM 692 CA GLU A 47 -7.202 8.724 5.490 1.00 0.21 C ATOM 693 C GLU A 47 -7.113 7.339 4.857 1.00 0.23 C ATOM 694 O GLU A 47 -6.985 7.197 3.659 1.00 0.23 O ATOM 695 CB GLU A 47 -5.813 9.153 5.974 1.00 0.19 C ATOM 696 CG GLU A 47 -5.805 10.656 6.268 1.00 0.25 C ATOM 697 CD GLU A 47 -4.371 11.116 6.535 1.00 0.29 C ATOM 698 OE1 GLU A 47 -3.635 11.279 5.577 1.00 0.65 O ATOM 699 OE2 GLU A 47 -4.035 11.298 7.694 1.00 0.44 O ATOM 0 H GLU A 47 -7.743 8.864 7.551 1.00 0.19 H new ATOM 0 HA GLU A 47 -7.559 9.458 4.768 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -5.543 8.597 6.872 1.00 0.19 H new ATOM 0 HB3 GLU A 47 -5.066 8.918 5.216 1.00 0.19 H new ATOM 0 HG2 GLU A 47 -6.223 11.205 5.424 1.00 0.25 H new ATOM 0 HG3 GLU A 47 -6.434 10.872 7.132 1.00 0.25 H new ATOM 706 N LEU A 48 -7.182 6.315 5.663 1.00 0.26 N ATOM 707 CA LEU A 48 -7.101 4.932 5.118 1.00 0.30 C ATOM 708 C LEU A 48 -8.405 4.584 4.387 1.00 0.31 C ATOM 709 O LEU A 48 -8.387 4.039 3.304 1.00 0.36 O ATOM 710 CB LEU A 48 -6.874 3.936 6.272 1.00 0.33 C ATOM 711 CG LEU A 48 -5.379 3.882 6.651 1.00 0.26 C ATOM 712 CD1 LEU A 48 -5.225 3.394 8.097 1.00 0.47 C ATOM 713 CD2 LEU A 48 -4.632 2.910 5.728 1.00 0.51 C ATOM 0 H LEU A 48 -7.291 6.377 6.675 1.00 0.26 H new ATOM 0 HA LEU A 48 -6.269 4.870 4.416 1.00 0.30 H new ATOM 0 HB2 LEU A 48 -7.465 4.233 7.139 1.00 0.33 H new ATOM 0 HB3 LEU A 48 -7.217 2.944 5.977 1.00 0.33 H new ATOM 0 HG LEU A 48 -4.962 4.884 6.546 1.00 0.26 H new ATOM 0 HD11 LEU A 48 -4.167 3.358 8.358 1.00 0.47 H new ATOM 0 HD12 LEU A 48 -5.742 4.079 8.769 1.00 0.47 H new ATOM 0 HD13 LEU A 48 -5.656 2.398 8.193 1.00 0.47 H new ATOM 0 HD21 LEU A 48 -3.578 2.881 6.006 1.00 0.51 H new ATOM 0 HD22 LEU A 48 -5.061 1.913 5.826 1.00 0.51 H new ATOM 0 HD23 LEU A 48 -4.726 3.245 4.695 1.00 0.51 H new ATOM 725 N GLN A 49 -9.536 4.873 4.973 1.00 0.27 N ATOM 726 CA GLN A 49 -10.828 4.530 4.310 1.00 0.29 C ATOM 727 C GLN A 49 -11.014 5.359 3.039 1.00 0.30 C ATOM 728 O GLN A 49 -11.746 4.981 2.144 1.00 0.33 O ATOM 729 CB GLN A 49 -11.979 4.815 5.277 1.00 0.28 C ATOM 730 CG GLN A 49 -12.049 3.716 6.347 1.00 0.28 C ATOM 731 CD GLN A 49 -12.775 2.489 5.787 1.00 0.84 C ATOM 732 OE1 GLN A 49 -12.286 1.840 4.884 1.00 1.75 O ATOM 733 NE2 GLN A 49 -13.928 2.144 6.289 1.00 0.96 N ATOM 0 H GLN A 49 -9.621 5.331 5.880 1.00 0.27 H new ATOM 0 HA GLN A 49 -10.819 3.474 4.040 1.00 0.29 H new ATOM 0 HB2 GLN A 49 -11.835 5.786 5.750 1.00 0.28 H new ATOM 0 HB3 GLN A 49 -12.921 4.863 4.731 1.00 0.28 H new ATOM 0 HG2 GLN A 49 -11.043 3.441 6.665 1.00 0.28 H new ATOM 0 HG3 GLN A 49 -12.571 4.087 7.229 1.00 0.28 H new ATOM 0 HE21 GLN A 49 -14.338 2.689 7.047 1.00 0.96 H new ATOM 0 HE22 GLN A 49 -14.420 1.329 5.923 1.00 0.96 H new ATOM 742 N ASP A 50 -10.371 6.484 2.946 1.00 0.28 N ATOM 743 CA ASP A 50 -10.528 7.324 1.727 1.00 0.30 C ATOM 744 C ASP A 50 -9.812 6.650 0.560 1.00 0.36 C ATOM 745 O ASP A 50 -10.333 6.557 -0.533 1.00 0.36 O ATOM 746 CB ASP A 50 -9.922 8.710 1.974 1.00 0.27 C ATOM 747 CG ASP A 50 -10.865 9.528 2.860 1.00 1.14 C ATOM 748 OD1 ASP A 50 -11.369 8.977 3.823 1.00 2.24 O ATOM 749 OD2 ASP A 50 -11.066 10.694 2.557 1.00 1.07 O ATOM 0 H ASP A 50 -9.744 6.860 3.658 1.00 0.28 H new ATOM 0 HA ASP A 50 -11.587 7.435 1.492 1.00 0.30 H new ATOM 0 HB2 ASP A 50 -8.948 8.613 2.454 1.00 0.27 H new ATOM 0 HB3 ASP A 50 -9.761 9.223 1.026 1.00 0.27 H new ATOM 754 N MET A 51 -8.624 6.171 0.789 1.00 0.40 N ATOM 755 CA MET A 51 -7.875 5.494 -0.304 1.00 0.45 C ATOM 756 C MET A 51 -8.564 4.171 -0.637 1.00 0.48 C ATOM 757 O MET A 51 -8.521 3.701 -1.754 1.00 0.53 O ATOM 758 CB MET A 51 -6.437 5.229 0.149 1.00 0.47 C ATOM 759 CG MET A 51 -5.777 6.550 0.550 1.00 0.42 C ATOM 760 SD MET A 51 -3.986 6.317 0.674 1.00 0.45 S ATOM 761 CE MET A 51 -3.934 5.908 2.435 1.00 0.54 C ATOM 0 H MET A 51 -8.139 6.218 1.685 1.00 0.40 H new ATOM 0 HA MET A 51 -7.859 6.130 -1.189 1.00 0.45 H new ATOM 0 HB2 MET A 51 -6.431 4.537 0.991 1.00 0.47 H new ATOM 0 HB3 MET A 51 -5.872 4.757 -0.655 1.00 0.47 H new ATOM 0 HG2 MET A 51 -6.004 7.321 -0.187 1.00 0.42 H new ATOM 0 HG3 MET A 51 -6.177 6.894 1.504 1.00 0.42 H new ATOM 0 HE1 MET A 51 -2.899 5.756 2.743 1.00 0.54 H new ATOM 0 HE2 MET A 51 -4.368 6.725 3.011 1.00 0.54 H new ATOM 0 HE3 MET A 51 -4.503 4.996 2.614 1.00 0.54 H new ATOM 771 N ILE A 52 -9.207 3.571 0.326 1.00 0.46 N ATOM 772 CA ILE A 52 -9.905 2.285 0.061 1.00 0.49 C ATOM 773 C ILE A 52 -11.135 2.555 -0.808 1.00 0.55 C ATOM 774 O ILE A 52 -11.404 1.848 -1.756 1.00 0.53 O ATOM 775 CB ILE A 52 -10.337 1.652 1.393 1.00 0.48 C ATOM 776 CG1 ILE A 52 -9.088 1.154 2.132 1.00 0.40 C ATOM 777 CG2 ILE A 52 -11.292 0.481 1.124 1.00 0.52 C ATOM 778 CD1 ILE A 52 -9.465 0.607 3.511 1.00 0.42 C ATOM 0 H ILE A 52 -9.278 3.916 1.283 1.00 0.46 H new ATOM 0 HA ILE A 52 -9.235 1.600 -0.458 1.00 0.49 H new ATOM 0 HB ILE A 52 -10.854 2.391 2.006 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -8.598 0.376 1.547 1.00 0.40 H new ATOM 0 HG13 ILE A 52 -8.373 1.969 2.240 1.00 0.40 H new ATOM 0 HG21 ILE A 52 -11.596 0.035 2.071 1.00 0.52 H new ATOM 0 HG22 ILE A 52 -12.173 0.844 0.594 1.00 0.52 H new ATOM 0 HG23 ILE A 52 -10.786 -0.269 0.515 1.00 0.52 H new ATOM 0 HD11 ILE A 52 -8.568 0.258 4.022 1.00 0.42 H new ATOM 0 HD12 ILE A 52 -9.934 1.396 4.099 1.00 0.42 H new ATOM 0 HD13 ILE A 52 -10.162 -0.223 3.395 1.00 0.42 H new ATOM 790 N ASN A 53 -11.888 3.565 -0.482 1.00 0.62 N ATOM 791 CA ASN A 53 -13.104 3.870 -1.283 1.00 0.67 C ATOM 792 C ASN A 53 -12.699 4.130 -2.740 1.00 0.63 C ATOM 793 O ASN A 53 -13.411 3.786 -3.661 1.00 0.61 O ATOM 794 CB ASN A 53 -13.816 5.105 -0.668 1.00 0.82 C ATOM 795 CG ASN A 53 -15.324 4.847 -0.526 1.00 1.35 C ATOM 796 OD1 ASN A 53 -15.946 5.317 0.405 1.00 1.94 O ATOM 797 ND2 ASN A 53 -15.936 4.115 -1.416 1.00 1.83 N ATOM 0 H ASN A 53 -11.715 4.192 0.303 1.00 0.62 H new ATOM 0 HA ASN A 53 -13.795 3.027 -1.266 1.00 0.67 H new ATOM 0 HB2 ASN A 53 -13.387 5.330 0.308 1.00 0.82 H new ATOM 0 HB3 ASN A 53 -13.649 5.979 -1.298 1.00 0.82 H new ATOM 0 HD21 ASN A 53 -16.937 3.938 -1.330 1.00 1.83 H new ATOM 0 HD22 ASN A 53 -15.414 3.720 -2.198 1.00 1.83 H new ATOM 804 N GLU A 54 -11.556 4.718 -2.951 1.00 0.64 N ATOM 805 CA GLU A 54 -11.100 4.987 -4.348 1.00 0.64 C ATOM 806 C GLU A 54 -10.494 3.716 -4.936 1.00 0.54 C ATOM 807 O GLU A 54 -10.841 3.284 -6.017 1.00 0.56 O ATOM 808 CB GLU A 54 -10.048 6.106 -4.340 1.00 0.71 C ATOM 809 CG GLU A 54 -10.742 7.470 -4.248 1.00 0.97 C ATOM 810 CD GLU A 54 -11.364 7.820 -5.601 1.00 1.92 C ATOM 811 OE1 GLU A 54 -10.614 8.062 -6.530 1.00 2.08 O ATOM 812 OE2 GLU A 54 -12.581 7.838 -5.682 1.00 3.10 O ATOM 0 H GLU A 54 -10.916 5.025 -2.219 1.00 0.64 H new ATOM 0 HA GLU A 54 -11.950 5.298 -4.955 1.00 0.64 H new ATOM 0 HB2 GLU A 54 -9.370 5.975 -3.496 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -9.443 6.056 -5.245 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -11.512 7.446 -3.477 1.00 0.97 H new ATOM 0 HG3 GLU A 54 -10.023 8.236 -3.957 1.00 0.97 H new ATOM 819 N VAL A 55 -9.575 3.135 -4.232 1.00 0.45 N ATOM 820 CA VAL A 55 -8.905 1.903 -4.731 1.00 0.36 C ATOM 821 C VAL A 55 -9.915 0.779 -4.890 1.00 0.26 C ATOM 822 O VAL A 55 -9.765 -0.111 -5.704 1.00 0.19 O ATOM 823 CB VAL A 55 -7.830 1.475 -3.739 1.00 0.37 C ATOM 824 CG1 VAL A 55 -7.240 0.137 -4.183 1.00 0.37 C ATOM 825 CG2 VAL A 55 -6.733 2.539 -3.697 1.00 0.37 C ATOM 0 H VAL A 55 -9.252 3.461 -3.321 1.00 0.45 H new ATOM 0 HA VAL A 55 -8.455 2.115 -5.701 1.00 0.36 H new ATOM 0 HB VAL A 55 -8.263 1.365 -2.745 1.00 0.37 H new ATOM 0 HG11 VAL A 55 -6.470 -0.174 -3.476 1.00 0.37 H new ATOM 0 HG12 VAL A 55 -8.028 -0.615 -4.215 1.00 0.37 H new ATOM 0 HG13 VAL A 55 -6.800 0.244 -5.175 1.00 0.37 H new ATOM 0 HG21 VAL A 55 -5.961 2.238 -2.989 1.00 0.37 H new ATOM 0 HG22 VAL A 55 -6.293 2.648 -4.688 1.00 0.37 H new ATOM 0 HG23 VAL A 55 -7.161 3.491 -3.384 1.00 0.37 H new ATOM 835 N ASP A 56 -10.933 0.822 -4.113 1.00 0.29 N ATOM 836 CA ASP A 56 -11.984 -0.235 -4.183 1.00 0.24 C ATOM 837 C ASP A 56 -12.896 0.074 -5.361 1.00 0.21 C ATOM 838 O ASP A 56 -14.090 -0.146 -5.332 1.00 0.25 O ATOM 839 CB ASP A 56 -12.795 -0.256 -2.884 1.00 0.33 C ATOM 840 CG ASP A 56 -13.908 -1.302 -2.992 1.00 0.35 C ATOM 841 OD1 ASP A 56 -13.585 -2.478 -3.044 1.00 1.06 O ATOM 842 OD2 ASP A 56 -15.063 -0.910 -3.020 1.00 0.93 O ATOM 0 H ASP A 56 -11.099 1.549 -3.417 1.00 0.29 H new ATOM 0 HA ASP A 56 -11.521 -1.213 -4.315 1.00 0.24 H new ATOM 0 HB2 ASP A 56 -12.144 -0.488 -2.041 1.00 0.33 H new ATOM 0 HB3 ASP A 56 -13.224 0.728 -2.695 1.00 0.33 H new ATOM 847 N ALA A 57 -12.314 0.586 -6.400 1.00 0.21 N ATOM 848 CA ALA A 57 -13.085 0.934 -7.618 1.00 0.21 C ATOM 849 C ALA A 57 -13.325 -0.326 -8.441 1.00 0.16 C ATOM 850 O ALA A 57 -14.324 -0.467 -9.118 1.00 0.13 O ATOM 851 CB ALA A 57 -12.280 1.957 -8.422 1.00 0.36 C ATOM 0 H ALA A 57 -11.315 0.783 -6.459 1.00 0.21 H new ATOM 0 HA ALA A 57 -14.052 1.361 -7.352 1.00 0.21 H new ATOM 0 HB1 ALA A 57 -12.831 2.226 -9.323 1.00 0.36 H new ATOM 0 HB2 ALA A 57 -12.117 2.849 -7.817 1.00 0.36 H new ATOM 0 HB3 ALA A 57 -11.318 1.526 -8.700 1.00 0.36 H new ATOM 857 N ASP A 58 -12.415 -1.246 -8.369 1.00 0.34 N ATOM 858 CA ASP A 58 -12.564 -2.518 -9.119 1.00 0.50 C ATOM 859 C ASP A 58 -13.508 -3.432 -8.345 1.00 0.53 C ATOM 860 O ASP A 58 -14.056 -4.378 -8.877 1.00 0.63 O ATOM 861 CB ASP A 58 -11.193 -3.190 -9.303 1.00 0.79 C ATOM 862 CG ASP A 58 -11.266 -4.202 -10.451 1.00 1.07 C ATOM 863 OD1 ASP A 58 -12.356 -4.420 -10.955 1.00 1.12 O ATOM 864 OD2 ASP A 58 -10.231 -4.741 -10.806 1.00 1.91 O ATOM 0 H ASP A 58 -11.562 -1.172 -7.815 1.00 0.34 H new ATOM 0 HA ASP A 58 -12.977 -2.320 -10.108 1.00 0.50 H new ATOM 0 HB2 ASP A 58 -10.434 -2.438 -9.516 1.00 0.79 H new ATOM 0 HB3 ASP A 58 -10.896 -3.691 -8.382 1.00 0.79 H new ATOM 869 N GLY A 59 -13.697 -3.153 -7.088 1.00 0.53 N ATOM 870 CA GLY A 59 -14.602 -3.998 -6.259 1.00 0.74 C ATOM 871 C GLY A 59 -13.895 -5.306 -5.891 1.00 0.99 C ATOM 872 O GLY A 59 -14.529 -6.317 -5.661 1.00 1.17 O ATOM 0 H GLY A 59 -13.262 -2.373 -6.595 1.00 0.53 H new ATOM 0 HA2 GLY A 59 -14.889 -3.462 -5.354 1.00 0.74 H new ATOM 0 HA3 GLY A 59 -15.520 -4.211 -6.807 1.00 0.74 H new ATOM 876 N ASN A 60 -12.584 -5.299 -5.836 1.00 1.05 N ATOM 877 CA ASN A 60 -11.832 -6.546 -5.487 1.00 1.32 C ATOM 878 C ASN A 60 -11.416 -6.510 -4.013 1.00 1.18 C ATOM 879 O ASN A 60 -10.759 -7.409 -3.526 1.00 1.82 O ATOM 880 CB ASN A 60 -10.580 -6.645 -6.360 1.00 1.47 C ATOM 881 CG ASN A 60 -9.649 -5.469 -6.053 1.00 2.90 C ATOM 882 OD1 ASN A 60 -10.101 -4.380 -5.767 1.00 3.53 O ATOM 883 ND2 ASN A 60 -8.357 -5.648 -6.103 1.00 3.91 N ATOM 0 H ASN A 60 -12.002 -4.482 -6.018 1.00 1.05 H new ATOM 0 HA ASN A 60 -12.474 -7.410 -5.660 1.00 1.32 H new ATOM 0 HB2 ASN A 60 -10.066 -7.588 -6.172 1.00 1.47 H new ATOM 0 HB3 ASN A 60 -10.857 -6.638 -7.414 1.00 1.47 H new ATOM 0 HD21 ASN A 60 -7.726 -4.872 -5.902 1.00 3.91 H new ATOM 0 HD22 ASN A 60 -7.978 -6.564 -6.344 1.00 3.91 H new ATOM 890 N GLY A 61 -11.799 -5.487 -3.300 1.00 0.39 N ATOM 891 CA GLY A 61 -11.435 -5.388 -1.853 1.00 0.36 C ATOM 892 C GLY A 61 -9.973 -5.796 -1.643 1.00 0.19 C ATOM 893 O GLY A 61 -9.589 -6.222 -0.572 1.00 0.09 O ATOM 0 H GLY A 61 -12.353 -4.709 -3.658 1.00 0.39 H new ATOM 0 HA2 GLY A 61 -11.589 -4.368 -1.501 1.00 0.36 H new ATOM 0 HA3 GLY A 61 -12.087 -6.031 -1.262 1.00 0.36 H new ATOM 897 N THR A 62 -9.155 -5.672 -2.657 1.00 0.16 N ATOM 898 CA THR A 62 -7.713 -6.053 -2.532 1.00 0.09 C ATOM 899 C THR A 62 -6.842 -5.006 -3.238 1.00 0.05 C ATOM 900 O THR A 62 -7.340 -4.111 -3.892 1.00 0.04 O ATOM 901 CB THR A 62 -7.495 -7.418 -3.192 1.00 0.26 C ATOM 902 OG1 THR A 62 -8.109 -7.425 -4.475 1.00 0.26 O ATOM 903 CG2 THR A 62 -8.118 -8.508 -2.322 1.00 0.47 C ATOM 0 H THR A 62 -9.426 -5.320 -3.575 1.00 0.16 H new ATOM 0 HA THR A 62 -7.439 -6.103 -1.478 1.00 0.09 H new ATOM 0 HB THR A 62 -6.427 -7.606 -3.299 1.00 0.26 H new ATOM 0 HG1 THR A 62 -9.079 -7.519 -4.373 1.00 0.26 H new ATOM 0 HG21 THR A 62 -7.964 -9.480 -2.790 1.00 0.47 H new ATOM 0 HG22 THR A 62 -7.649 -8.501 -1.338 1.00 0.47 H new ATOM 0 HG23 THR A 62 -9.187 -8.322 -2.216 1.00 0.47 H new ATOM 911 N ILE A 63 -5.543 -5.107 -3.103 1.00 0.09 N ATOM 912 CA ILE A 63 -4.625 -4.121 -3.757 1.00 0.12 C ATOM 913 C ILE A 63 -3.409 -4.870 -4.306 1.00 0.16 C ATOM 914 O ILE A 63 -2.865 -5.735 -3.654 1.00 0.16 O ATOM 915 CB ILE A 63 -4.170 -3.098 -2.708 1.00 0.12 C ATOM 916 CG1 ILE A 63 -5.366 -2.766 -1.804 1.00 0.08 C ATOM 917 CG2 ILE A 63 -3.644 -1.822 -3.393 1.00 0.14 C ATOM 918 CD1 ILE A 63 -5.025 -1.609 -0.863 1.00 0.15 C ATOM 0 H ILE A 63 -5.075 -5.835 -2.564 1.00 0.09 H new ATOM 0 HA ILE A 63 -5.136 -3.607 -4.571 1.00 0.12 H new ATOM 0 HB ILE A 63 -3.359 -3.515 -2.112 1.00 0.12 H new ATOM 0 HG12 ILE A 63 -6.229 -2.502 -2.416 1.00 0.08 H new ATOM 0 HG13 ILE A 63 -5.644 -3.645 -1.222 1.00 0.08 H new ATOM 0 HG21 ILE A 63 -3.325 -1.107 -2.635 1.00 0.14 H new ATOM 0 HG22 ILE A 63 -2.798 -2.074 -4.032 1.00 0.14 H new ATOM 0 HG23 ILE A 63 -4.436 -1.381 -3.998 1.00 0.14 H new ATOM 0 HD11 ILE A 63 -5.885 -1.389 -0.231 1.00 0.15 H new ATOM 0 HD12 ILE A 63 -4.176 -1.887 -0.238 1.00 0.15 H new ATOM 0 HD13 ILE A 63 -4.770 -0.726 -1.449 1.00 0.15 H new ATOM 930 N ASP A 64 -2.977 -4.539 -5.494 1.00 0.19 N ATOM 931 CA ASP A 64 -1.781 -5.219 -6.090 1.00 0.22 C ATOM 932 C ASP A 64 -0.559 -4.292 -5.933 1.00 0.22 C ATOM 933 O ASP A 64 -0.699 -3.125 -5.622 1.00 0.22 O ATOM 934 CB ASP A 64 -2.055 -5.527 -7.571 1.00 0.25 C ATOM 935 CG ASP A 64 -2.188 -4.221 -8.361 1.00 0.28 C ATOM 936 OD1 ASP A 64 -2.060 -3.170 -7.759 1.00 0.28 O ATOM 937 OD2 ASP A 64 -2.417 -4.299 -9.557 1.00 0.38 O ATOM 0 H ASP A 64 -3.401 -3.823 -6.083 1.00 0.19 H new ATOM 0 HA ASP A 64 -1.579 -6.160 -5.579 1.00 0.22 H new ATOM 0 HB2 ASP A 64 -1.245 -6.129 -7.982 1.00 0.25 H new ATOM 0 HB3 ASP A 64 -2.968 -6.114 -7.666 1.00 0.25 H new ATOM 942 N PHE A 65 0.637 -4.803 -6.107 1.00 0.23 N ATOM 943 CA PHE A 65 1.855 -3.944 -5.922 1.00 0.24 C ATOM 944 C PHE A 65 1.871 -2.707 -6.855 1.00 0.28 C ATOM 945 O PHE A 65 2.155 -1.629 -6.372 1.00 0.29 O ATOM 946 CB PHE A 65 3.137 -4.784 -6.082 1.00 0.26 C ATOM 947 CG PHE A 65 4.350 -3.980 -5.645 1.00 0.27 C ATOM 948 CD1 PHE A 65 4.482 -3.570 -4.309 1.00 1.86 C ATOM 949 CD2 PHE A 65 5.351 -3.657 -6.574 1.00 1.87 C ATOM 950 CE1 PHE A 65 5.608 -2.837 -3.910 1.00 1.86 C ATOM 951 CE2 PHE A 65 6.476 -2.927 -6.171 1.00 1.86 C ATOM 952 CZ PHE A 65 6.603 -2.517 -4.839 1.00 0.27 C ATOM 0 H PHE A 65 0.824 -5.771 -6.367 1.00 0.23 H new ATOM 0 HA PHE A 65 1.817 -3.553 -4.905 1.00 0.24 H new ATOM 0 HB2 PHE A 65 3.061 -5.694 -5.486 1.00 0.26 H new ATOM 0 HB3 PHE A 65 3.251 -5.092 -7.121 1.00 0.26 H new ATOM 0 HD1 PHE A 65 3.716 -3.819 -3.589 1.00 1.86 H new ATOM 0 HD2 PHE A 65 5.253 -3.972 -7.602 1.00 1.87 H new ATOM 0 HE1 PHE A 65 5.707 -2.519 -2.883 1.00 1.86 H new ATOM 0 HE2 PHE A 65 7.245 -2.681 -6.888 1.00 1.86 H new ATOM 0 HZ PHE A 65 7.470 -1.953 -4.528 1.00 0.27 H new ATOM 962 N PRO A 66 1.568 -2.831 -8.142 1.00 0.31 N ATOM 963 CA PRO A 66 1.577 -1.638 -9.013 1.00 0.35 C ATOM 964 C PRO A 66 0.715 -0.536 -8.378 1.00 0.34 C ATOM 965 O PRO A 66 1.151 0.587 -8.218 1.00 0.36 O ATOM 966 CB PRO A 66 0.999 -2.116 -10.364 1.00 0.39 C ATOM 967 CG PRO A 66 0.781 -3.651 -10.259 1.00 0.37 C ATOM 968 CD PRO A 66 1.204 -4.090 -8.835 1.00 0.32 C ATOM 0 HA PRO A 66 2.572 -1.215 -9.149 1.00 0.35 H new ATOM 0 HB2 PRO A 66 0.059 -1.609 -10.580 1.00 0.39 H new ATOM 0 HB3 PRO A 66 1.683 -1.880 -11.179 1.00 0.39 H new ATOM 0 HG2 PRO A 66 -0.264 -3.902 -10.442 1.00 0.37 H new ATOM 0 HG3 PRO A 66 1.371 -4.174 -11.012 1.00 0.37 H new ATOM 0 HD2 PRO A 66 0.391 -4.603 -8.322 1.00 0.32 H new ATOM 0 HD3 PRO A 66 2.046 -4.781 -8.868 1.00 0.32 H new ATOM 976 N GLU A 67 -0.498 -0.851 -8.005 1.00 0.32 N ATOM 977 CA GLU A 67 -1.368 0.177 -7.374 1.00 0.33 C ATOM 978 C GLU A 67 -0.743 0.614 -6.052 1.00 0.30 C ATOM 979 O GLU A 67 -0.891 1.744 -5.632 1.00 0.33 O ATOM 980 CB GLU A 67 -2.758 -0.406 -7.109 1.00 0.32 C ATOM 981 CG GLU A 67 -3.426 -0.771 -8.437 1.00 0.33 C ATOM 982 CD GLU A 67 -4.625 -1.687 -8.176 1.00 0.29 C ATOM 983 OE1 GLU A 67 -4.843 -2.030 -7.025 1.00 0.95 O ATOM 984 OE2 GLU A 67 -5.300 -2.032 -9.131 1.00 0.61 O ATOM 0 H GLU A 67 -0.920 -1.774 -8.111 1.00 0.32 H new ATOM 0 HA GLU A 67 -1.462 1.032 -8.043 1.00 0.33 H new ATOM 0 HB2 GLU A 67 -2.678 -1.290 -6.476 1.00 0.32 H new ATOM 0 HB3 GLU A 67 -3.370 0.317 -6.570 1.00 0.32 H new ATOM 0 HG2 GLU A 67 -3.752 0.133 -8.952 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -2.710 -1.270 -9.090 1.00 0.33 H new ATOM 991 N PHE A 68 -0.040 -0.266 -5.393 1.00 0.26 N ATOM 992 CA PHE A 68 0.591 0.124 -4.106 1.00 0.24 C ATOM 993 C PHE A 68 1.665 1.170 -4.394 1.00 0.25 C ATOM 994 O PHE A 68 1.850 2.104 -3.641 1.00 0.25 O ATOM 995 CB PHE A 68 1.215 -1.096 -3.411 1.00 0.20 C ATOM 996 CG PHE A 68 1.611 -0.711 -2.007 1.00 0.18 C ATOM 997 CD1 PHE A 68 0.659 -0.739 -0.980 1.00 0.14 C ATOM 998 CD2 PHE A 68 2.925 -0.318 -1.731 1.00 0.21 C ATOM 999 CE1 PHE A 68 1.023 -0.375 0.323 1.00 0.15 C ATOM 1000 CE2 PHE A 68 3.287 0.048 -0.429 1.00 0.21 C ATOM 1001 CZ PHE A 68 2.337 0.019 0.598 1.00 0.18 C ATOM 0 H PHE A 68 0.122 -1.229 -5.688 1.00 0.26 H new ATOM 0 HA PHE A 68 -0.167 0.535 -3.439 1.00 0.24 H new ATOM 0 HB2 PHE A 68 0.504 -1.922 -3.389 1.00 0.20 H new ATOM 0 HB3 PHE A 68 2.087 -1.441 -3.967 1.00 0.20 H new ATOM 0 HD1 PHE A 68 -0.356 -1.041 -1.193 1.00 0.14 H new ATOM 0 HD2 PHE A 68 3.660 -0.297 -2.522 1.00 0.21 H new ATOM 0 HE1 PHE A 68 0.289 -0.399 1.115 1.00 0.15 H new ATOM 0 HE2 PHE A 68 4.301 0.353 -0.217 1.00 0.21 H new ATOM 0 HZ PHE A 68 2.618 0.301 1.602 1.00 0.18 H new ATOM 1011 N LEU A 69 2.364 1.037 -5.493 1.00 0.26 N ATOM 1012 CA LEU A 69 3.403 2.052 -5.826 1.00 0.28 C ATOM 1013 C LEU A 69 2.709 3.384 -6.109 1.00 0.36 C ATOM 1014 O LEU A 69 3.265 4.442 -5.888 1.00 0.44 O ATOM 1015 CB LEU A 69 4.198 1.620 -7.065 1.00 0.29 C ATOM 1016 CG LEU A 69 5.166 0.476 -6.722 1.00 0.39 C ATOM 1017 CD1 LEU A 69 5.851 0.006 -8.009 1.00 0.34 C ATOM 1018 CD2 LEU A 69 6.234 0.952 -5.712 1.00 0.53 C ATOM 0 H LEU A 69 2.261 0.278 -6.166 1.00 0.26 H new ATOM 0 HA LEU A 69 4.093 2.151 -4.988 1.00 0.28 H new ATOM 0 HB2 LEU A 69 3.512 1.299 -7.849 1.00 0.29 H new ATOM 0 HB3 LEU A 69 4.757 2.469 -7.458 1.00 0.29 H new ATOM 0 HG LEU A 69 4.606 -0.344 -6.272 1.00 0.39 H new ATOM 0 HD11 LEU A 69 6.541 -0.806 -7.778 1.00 0.34 H new ATOM 0 HD12 LEU A 69 5.098 -0.347 -8.714 1.00 0.34 H new ATOM 0 HD13 LEU A 69 6.402 0.836 -8.452 1.00 0.34 H new ATOM 0 HD21 LEU A 69 6.910 0.128 -5.482 1.00 0.53 H new ATOM 0 HD22 LEU A 69 6.801 1.777 -6.144 1.00 0.53 H new ATOM 0 HD23 LEU A 69 5.746 1.287 -4.797 1.00 0.53 H new ATOM 1030 N THR A 70 1.490 3.345 -6.584 1.00 0.36 N ATOM 1031 CA THR A 70 0.768 4.618 -6.860 1.00 0.45 C ATOM 1032 C THR A 70 0.456 5.290 -5.529 1.00 0.50 C ATOM 1033 O THR A 70 0.402 6.493 -5.430 1.00 0.58 O ATOM 1034 CB THR A 70 -0.542 4.338 -7.619 1.00 0.55 C ATOM 1035 OG1 THR A 70 -0.235 3.941 -8.948 1.00 0.61 O ATOM 1036 CG2 THR A 70 -1.403 5.611 -7.655 1.00 0.76 C ATOM 0 H THR A 70 0.969 2.493 -6.790 1.00 0.36 H new ATOM 0 HA THR A 70 1.390 5.267 -7.477 1.00 0.45 H new ATOM 0 HB THR A 70 -1.092 3.545 -7.113 1.00 0.55 H new ATOM 0 HG1 THR A 70 -1.066 3.760 -9.435 1.00 0.61 H new ATOM 0 HG21 THR A 70 -2.329 5.409 -8.193 1.00 0.76 H new ATOM 0 HG22 THR A 70 -1.635 5.922 -6.636 1.00 0.76 H new ATOM 0 HG23 THR A 70 -0.856 6.406 -8.161 1.00 0.76 H new ATOM 1044 N MET A 71 0.254 4.518 -4.500 1.00 0.47 N ATOM 1045 CA MET A 71 -0.053 5.131 -3.176 1.00 0.56 C ATOM 1046 C MET A 71 1.198 5.829 -2.654 1.00 0.50 C ATOM 1047 O MET A 71 1.148 6.947 -2.182 1.00 0.50 O ATOM 1048 CB MET A 71 -0.499 4.052 -2.168 1.00 0.70 C ATOM 1049 CG MET A 71 -1.885 3.465 -2.557 1.00 0.31 C ATOM 1050 SD MET A 71 -2.987 3.473 -1.111 1.00 0.37 S ATOM 1051 CE MET A 71 -3.787 1.873 -1.400 1.00 0.31 C ATOM 0 H MET A 71 0.287 3.499 -4.515 1.00 0.47 H new ATOM 0 HA MET A 71 -0.864 5.849 -3.295 1.00 0.56 H new ATOM 0 HB2 MET A 71 0.242 3.253 -2.134 1.00 0.70 H new ATOM 0 HB3 MET A 71 -0.550 4.482 -1.168 1.00 0.70 H new ATOM 0 HG2 MET A 71 -2.325 4.051 -3.364 1.00 0.31 H new ATOM 0 HG3 MET A 71 -1.767 2.448 -2.930 1.00 0.31 H new ATOM 0 HE1 MET A 71 -4.796 1.891 -0.987 1.00 0.31 H new ATOM 0 HE2 MET A 71 -3.837 1.680 -2.472 1.00 0.31 H new ATOM 0 HE3 MET A 71 -3.210 1.085 -0.916 1.00 0.31 H new ATOM 1061 N MET A 72 2.326 5.181 -2.736 1.00 0.46 N ATOM 1062 CA MET A 72 3.578 5.819 -2.245 1.00 0.43 C ATOM 1063 C MET A 72 3.980 6.949 -3.194 1.00 0.33 C ATOM 1064 O MET A 72 4.531 7.948 -2.779 1.00 0.35 O ATOM 1065 CB MET A 72 4.701 4.780 -2.185 1.00 0.47 C ATOM 1066 CG MET A 72 4.227 3.538 -1.423 1.00 0.35 C ATOM 1067 SD MET A 72 3.655 4.014 0.231 1.00 0.58 S ATOM 1068 CE MET A 72 5.280 4.297 0.984 1.00 0.43 C ATOM 0 H MET A 72 2.435 4.242 -3.120 1.00 0.46 H new ATOM 0 HA MET A 72 3.408 6.223 -1.247 1.00 0.43 H new ATOM 0 HB2 MET A 72 5.005 4.503 -3.194 1.00 0.47 H new ATOM 0 HB3 MET A 72 5.576 5.206 -1.694 1.00 0.47 H new ATOM 0 HG2 MET A 72 3.421 3.050 -1.970 1.00 0.35 H new ATOM 0 HG3 MET A 72 5.040 2.817 -1.343 1.00 0.35 H new ATOM 0 HE1 MET A 72 5.179 4.323 2.069 1.00 0.43 H new ATOM 0 HE2 MET A 72 5.957 3.491 0.702 1.00 0.43 H new ATOM 0 HE3 MET A 72 5.682 5.248 0.634 1.00 0.43 H new ATOM 1078 N ALA A 73 3.713 6.806 -4.464 1.00 0.25 N ATOM 1079 CA ALA A 73 4.087 7.881 -5.419 1.00 0.14 C ATOM 1080 C ALA A 73 3.118 9.061 -5.260 1.00 0.03 C ATOM 1081 O ALA A 73 3.527 10.205 -5.274 1.00 0.10 O ATOM 1082 CB ALA A 73 4.051 7.343 -6.858 1.00 0.20 C ATOM 0 H ALA A 73 3.254 5.994 -4.877 1.00 0.25 H new ATOM 0 HA ALA A 73 5.100 8.222 -5.206 1.00 0.14 H new ATOM 0 HB1 ALA A 73 4.327 8.138 -7.551 1.00 0.20 H new ATOM 0 HB2 ALA A 73 4.755 6.517 -6.955 1.00 0.20 H new ATOM 0 HB3 ALA A 73 3.046 6.992 -7.090 1.00 0.20 H new ATOM 1088 N ARG A 74 1.844 8.806 -5.103 1.00 0.15 N ATOM 1089 CA ARG A 74 0.892 9.934 -4.941 1.00 0.24 C ATOM 1090 C ARG A 74 1.125 10.590 -3.575 1.00 0.34 C ATOM 1091 O ARG A 74 0.896 11.768 -3.387 1.00 0.43 O ATOM 1092 CB ARG A 74 -0.547 9.405 -5.114 1.00 0.57 C ATOM 1093 CG ARG A 74 -1.194 8.987 -3.770 1.00 1.86 C ATOM 1094 CD ARG A 74 -1.954 10.181 -3.174 1.00 2.69 C ATOM 1095 NE ARG A 74 -2.012 10.063 -1.682 1.00 4.20 N ATOM 1096 CZ ARG A 74 -2.435 8.972 -1.101 1.00 5.30 C ATOM 1097 NH1 ARG A 74 -2.991 8.022 -1.802 1.00 5.40 N ATOM 1098 NH2 ARG A 74 -2.351 8.856 0.196 1.00 6.63 N ATOM 0 H ARG A 74 1.430 7.874 -5.081 1.00 0.15 H new ATOM 0 HA ARG A 74 1.050 10.699 -5.701 1.00 0.24 H new ATOM 0 HB2 ARG A 74 -1.159 10.175 -5.584 1.00 0.57 H new ATOM 0 HB3 ARG A 74 -0.537 8.550 -5.790 1.00 0.57 H new ATOM 0 HG2 ARG A 74 -1.875 8.150 -3.927 1.00 1.86 H new ATOM 0 HG3 ARG A 74 -0.426 8.647 -3.075 1.00 1.86 H new ATOM 0 HD2 ARG A 74 -1.461 11.112 -3.454 1.00 2.69 H new ATOM 0 HD3 ARG A 74 -2.964 10.220 -3.583 1.00 2.69 H new ATOM 0 HE ARG A 74 -1.715 10.851 -1.107 1.00 4.20 H new ATOM 0 HH11 ARG A 74 -3.098 8.128 -2.811 1.00 5.40 H new ATOM 0 HH12 ARG A 74 -3.319 7.173 -1.341 1.00 5.40 H new ATOM 0 HH21 ARG A 74 -1.956 9.615 0.751 1.00 6.63 H new ATOM 0 HH22 ARG A 74 -2.680 8.006 0.654 1.00 6.63 H new ATOM 1112 N LYS A 75 1.604 9.827 -2.631 1.00 0.39 N ATOM 1113 CA LYS A 75 1.886 10.386 -1.279 1.00 0.59 C ATOM 1114 C LYS A 75 3.219 11.130 -1.325 1.00 0.60 C ATOM 1115 O LYS A 75 3.348 12.243 -0.854 1.00 0.74 O ATOM 1116 CB LYS A 75 1.977 9.244 -0.255 1.00 0.67 C ATOM 1117 CG LYS A 75 0.570 8.806 0.165 1.00 0.75 C ATOM 1118 CD LYS A 75 0.655 7.728 1.263 1.00 1.64 C ATOM 1119 CE LYS A 75 0.814 8.385 2.641 1.00 0.94 C ATOM 1120 NZ LYS A 75 0.758 7.336 3.698 1.00 1.94 N ATOM 0 H LYS A 75 1.813 8.835 -2.739 1.00 0.39 H new ATOM 0 HA LYS A 75 1.086 11.066 -0.987 1.00 0.59 H new ATOM 0 HB2 LYS A 75 2.517 8.400 -0.685 1.00 0.67 H new ATOM 0 HB3 LYS A 75 2.541 9.571 0.618 1.00 0.67 H new ATOM 0 HG2 LYS A 75 0.008 9.665 0.531 1.00 0.75 H new ATOM 0 HG3 LYS A 75 0.030 8.415 -0.697 1.00 0.75 H new ATOM 0 HD2 LYS A 75 -0.244 7.112 1.248 1.00 1.64 H new ATOM 0 HD3 LYS A 75 1.499 7.066 1.068 1.00 1.64 H new ATOM 0 HE2 LYS A 75 1.762 8.920 2.694 1.00 0.94 H new ATOM 0 HE3 LYS A 75 0.024 9.119 2.799 1.00 0.94 H new ATOM 0 HZ1 LYS A 75 1.349 7.623 4.504 1.00 1.94 H new ATOM 0 HZ2 LYS A 75 -0.225 7.215 4.015 1.00 1.94 H new ATOM 0 HZ3 LYS A 75 1.111 6.436 3.313 1.00 1.94 H new ATOM 1134 N MET A 76 4.274 10.458 -1.714 1.00 0.53 N ATOM 1135 CA MET A 76 5.642 11.077 -1.548 1.00 0.83 C ATOM 1136 C MET A 76 5.611 12.587 -1.840 1.00 1.48 C ATOM 1137 O MET A 76 6.604 13.274 -1.714 1.00 2.14 O ATOM 1138 CB MET A 76 6.695 10.313 -2.391 1.00 0.54 C ATOM 1139 CG MET A 76 6.742 8.837 -1.967 1.00 0.11 C ATOM 1140 SD MET A 76 6.971 7.809 -3.437 1.00 1.93 S ATOM 1141 CE MET A 76 7.723 6.383 -2.624 1.00 1.24 C ATOM 0 H MET A 76 4.259 9.527 -2.131 1.00 0.53 H new ATOM 0 HA MET A 76 5.946 10.979 -0.506 1.00 0.83 H new ATOM 0 HB2 MET A 76 6.448 10.387 -3.450 1.00 0.54 H new ATOM 0 HB3 MET A 76 7.677 10.768 -2.260 1.00 0.54 H new ATOM 0 HG2 MET A 76 7.558 8.673 -1.263 1.00 0.11 H new ATOM 0 HG3 MET A 76 5.819 8.563 -1.456 1.00 0.11 H new ATOM 0 HE1 MET A 76 7.318 5.465 -3.051 1.00 1.24 H new ATOM 0 HE2 MET A 76 8.803 6.407 -2.772 1.00 1.24 H new ATOM 0 HE3 MET A 76 7.503 6.414 -1.557 1.00 1.24 H new ATOM 1151 N LYS A 77 4.452 13.115 -2.136 1.00 1.64 N ATOM 1152 CA LYS A 77 4.313 14.588 -2.330 1.00 2.29 C ATOM 1153 C LYS A 77 4.399 15.345 -0.973 1.00 2.81 C ATOM 1154 O LYS A 77 4.873 16.461 -0.910 1.00 3.13 O ATOM 1155 CB LYS A 77 2.965 14.867 -3.017 1.00 2.39 C ATOM 1156 CG LYS A 77 2.002 15.591 -2.066 1.00 3.81 C ATOM 1157 CD LYS A 77 0.623 15.708 -2.725 1.00 3.95 C ATOM 1158 CE LYS A 77 0.735 16.521 -4.019 1.00 3.52 C ATOM 1159 NZ LYS A 77 1.093 15.613 -5.146 1.00 1.93 N ATOM 0 H LYS A 77 3.589 12.584 -2.252 1.00 1.64 H new ATOM 0 HA LYS A 77 5.131 14.947 -2.954 1.00 2.29 H new ATOM 0 HB2 LYS A 77 3.126 15.473 -3.908 1.00 2.39 H new ATOM 0 HB3 LYS A 77 2.519 13.928 -3.346 1.00 2.39 H new ATOM 0 HG2 LYS A 77 1.922 15.044 -1.126 1.00 3.81 H new ATOM 0 HG3 LYS A 77 2.387 16.582 -1.826 1.00 3.81 H new ATOM 0 HD2 LYS A 77 0.227 14.716 -2.941 1.00 3.95 H new ATOM 0 HD3 LYS A 77 -0.077 16.189 -2.042 1.00 3.95 H new ATOM 0 HE2 LYS A 77 -0.209 17.023 -4.228 1.00 3.52 H new ATOM 0 HE3 LYS A 77 1.492 17.298 -3.909 1.00 3.52 H new ATOM 0 HZ1 LYS A 77 2.029 15.874 -5.518 1.00 1.93 H new ATOM 0 HZ2 LYS A 77 1.117 14.630 -4.806 1.00 1.93 H new ATOM 0 HZ3 LYS A 77 0.384 15.701 -5.901 1.00 1.93 H new ATOM 1173 N ASP A 78 3.951 14.748 0.104 1.00 0.55 N ATOM 1174 CA ASP A 78 4.015 15.424 1.428 1.00 0.76 C ATOM 1175 C ASP A 78 5.444 15.857 1.711 1.00 0.56 C ATOM 1176 O ASP A 78 5.787 17.024 1.692 1.00 0.71 O ATOM 1177 CB ASP A 78 3.534 14.455 2.516 1.00 1.31 C ATOM 1178 CG ASP A 78 3.784 15.062 3.900 1.00 1.81 C ATOM 1179 OD1 ASP A 78 3.636 16.267 4.034 1.00 1.06 O ATOM 1180 OD2 ASP A 78 4.118 14.312 4.801 1.00 3.05 O ATOM 0 H ASP A 78 3.541 13.814 0.118 1.00 0.55 H new ATOM 0 HA ASP A 78 3.373 16.305 1.422 1.00 0.76 H new ATOM 0 HB2 ASP A 78 2.472 14.247 2.387 1.00 1.31 H new ATOM 0 HB3 ASP A 78 4.058 13.504 2.426 1.00 1.31 H new ATOM 1185 N THR A 79 6.265 14.911 1.978 1.00 0.68 N ATOM 1186 CA THR A 79 7.698 15.192 2.286 1.00 0.53 C ATOM 1187 C THR A 79 8.460 15.501 0.997 1.00 0.32 C ATOM 1188 O THR A 79 9.557 15.027 0.786 1.00 0.35 O ATOM 1189 CB THR A 79 8.315 13.963 2.957 1.00 0.73 C ATOM 1190 OG1 THR A 79 9.630 14.283 3.397 1.00 0.69 O ATOM 1191 CG2 THR A 79 8.380 12.796 1.957 1.00 0.88 C ATOM 0 H THR A 79 6.012 13.923 2.000 1.00 0.68 H new ATOM 0 HA THR A 79 7.762 16.053 2.952 1.00 0.53 H new ATOM 0 HB THR A 79 7.700 13.669 3.808 1.00 0.73 H new ATOM 0 HG1 THR A 79 10.142 14.659 2.651 1.00 0.69 H new ATOM 0 HG21 THR A 79 8.820 11.925 2.442 1.00 0.88 H new ATOM 0 HG22 THR A 79 7.374 12.552 1.617 1.00 0.88 H new ATOM 0 HG23 THR A 79 8.992 13.083 1.102 1.00 0.88 H new ATOM 1199 N ASP A 80 7.884 16.298 0.144 1.00 0.23 N ATOM 1200 CA ASP A 80 8.562 16.664 -1.139 1.00 0.17 C ATOM 1201 C ASP A 80 10.040 16.948 -0.885 1.00 0.16 C ATOM 1202 O ASP A 80 10.472 17.133 0.237 1.00 0.17 O ATOM 1203 CB ASP A 80 7.901 17.918 -1.733 1.00 0.38 C ATOM 1204 CG ASP A 80 6.613 17.528 -2.463 1.00 1.53 C ATOM 1205 OD1 ASP A 80 6.637 16.538 -3.175 1.00 1.99 O ATOM 1206 OD2 ASP A 80 5.629 18.229 -2.298 1.00 2.51 O ATOM 0 H ASP A 80 6.964 16.718 0.278 1.00 0.23 H new ATOM 0 HA ASP A 80 8.468 15.833 -1.838 1.00 0.17 H new ATOM 0 HB2 ASP A 80 7.679 18.633 -0.941 1.00 0.38 H new ATOM 0 HB3 ASP A 80 8.587 18.410 -2.423 1.00 0.38 H new ATOM 1211 N SER A 81 10.805 17.002 -1.928 1.00 0.28 N ATOM 1212 CA SER A 81 12.248 17.290 -1.786 1.00 0.39 C ATOM 1213 C SER A 81 12.378 18.792 -1.649 1.00 0.39 C ATOM 1214 O SER A 81 13.361 19.326 -1.172 1.00 0.43 O ATOM 1215 CB SER A 81 12.978 16.803 -3.029 1.00 0.57 C ATOM 1216 OG SER A 81 14.367 17.087 -2.905 1.00 0.45 O ATOM 0 H SER A 81 10.487 16.857 -2.886 1.00 0.28 H new ATOM 0 HA SER A 81 12.680 16.788 -0.920 1.00 0.39 H new ATOM 0 HB2 SER A 81 12.825 15.731 -3.157 1.00 0.57 H new ATOM 0 HB3 SER A 81 12.574 17.291 -3.916 1.00 0.57 H new ATOM 0 HG SER A 81 14.838 16.772 -3.705 1.00 0.45 H new ATOM 1222 N GLU A 82 11.359 19.460 -2.073 1.00 0.39 N ATOM 1223 CA GLU A 82 11.326 20.942 -2.001 1.00 0.44 C ATOM 1224 C GLU A 82 11.365 21.379 -0.530 1.00 0.34 C ATOM 1225 O GLU A 82 12.139 22.231 -0.142 1.00 0.25 O ATOM 1226 CB GLU A 82 10.026 21.417 -2.685 1.00 0.51 C ATOM 1227 CG GLU A 82 10.321 21.956 -4.092 1.00 0.66 C ATOM 1228 CD GLU A 82 10.867 23.382 -3.993 1.00 2.27 C ATOM 1229 OE1 GLU A 82 11.159 23.808 -2.888 1.00 3.36 O ATOM 1230 OE2 GLU A 82 10.981 24.024 -5.024 1.00 2.98 O ATOM 0 H GLU A 82 10.524 19.036 -2.477 1.00 0.39 H new ATOM 0 HA GLU A 82 12.186 21.382 -2.506 1.00 0.44 H new ATOM 0 HB2 GLU A 82 9.319 20.590 -2.747 1.00 0.51 H new ATOM 0 HB3 GLU A 82 9.555 22.194 -2.083 1.00 0.51 H new ATOM 0 HG2 GLU A 82 11.044 21.313 -4.594 1.00 0.66 H new ATOM 0 HG3 GLU A 82 9.413 21.945 -4.694 1.00 0.66 H new ATOM 1237 N GLU A 83 10.533 20.799 0.277 1.00 0.37 N ATOM 1238 CA GLU A 83 10.504 21.163 1.722 1.00 0.28 C ATOM 1239 C GLU A 83 11.833 20.768 2.372 1.00 0.20 C ATOM 1240 O GLU A 83 12.193 21.256 3.424 1.00 0.14 O ATOM 1241 CB GLU A 83 9.340 20.431 2.415 1.00 0.29 C ATOM 1242 CG GLU A 83 8.033 21.202 2.197 1.00 0.88 C ATOM 1243 CD GLU A 83 6.846 20.306 2.558 1.00 0.92 C ATOM 1244 OE1 GLU A 83 7.000 19.483 3.445 1.00 0.96 O ATOM 1245 OE2 GLU A 83 5.805 20.458 1.942 1.00 2.15 O ATOM 0 H GLU A 83 9.863 20.081 0.000 1.00 0.37 H new ATOM 0 HA GLU A 83 10.359 22.238 1.826 1.00 0.28 H new ATOM 0 HB2 GLU A 83 9.247 19.420 2.017 1.00 0.29 H new ATOM 0 HB3 GLU A 83 9.543 20.336 3.482 1.00 0.29 H new ATOM 0 HG2 GLU A 83 8.023 22.102 2.811 1.00 0.88 H new ATOM 0 HG3 GLU A 83 7.957 21.524 1.158 1.00 0.88 H new ATOM 1252 N GLU A 84 12.554 19.884 1.752 1.00 0.25 N ATOM 1253 CA GLU A 84 13.859 19.440 2.323 1.00 0.25 C ATOM 1254 C GLU A 84 14.951 20.449 1.972 1.00 0.20 C ATOM 1255 O GLU A 84 15.702 20.892 2.819 1.00 0.23 O ATOM 1256 CB GLU A 84 14.229 18.068 1.753 1.00 0.37 C ATOM 1257 CG GLU A 84 13.346 16.992 2.390 1.00 0.31 C ATOM 1258 CD GLU A 84 13.684 15.631 1.777 1.00 1.42 C ATOM 1259 OE1 GLU A 84 14.787 15.162 2.000 1.00 1.57 O ATOM 1260 OE2 GLU A 84 12.833 15.081 1.096 1.00 2.62 O ATOM 0 H GLU A 84 12.298 19.444 0.868 1.00 0.25 H new ATOM 0 HA GLU A 84 13.769 19.372 3.407 1.00 0.25 H new ATOM 0 HB2 GLU A 84 14.099 18.066 0.671 1.00 0.37 H new ATOM 0 HB3 GLU A 84 15.280 17.853 1.948 1.00 0.37 H new ATOM 0 HG2 GLU A 84 13.504 16.967 3.468 1.00 0.31 H new ATOM 0 HG3 GLU A 84 12.294 17.226 2.227 1.00 0.31 H new ATOM 1267 N ILE A 85 15.043 20.815 0.728 1.00 0.15 N ATOM 1268 CA ILE A 85 16.086 21.798 0.316 1.00 0.13 C ATOM 1269 C ILE A 85 15.730 23.184 0.873 1.00 0.12 C ATOM 1270 O ILE A 85 16.588 23.915 1.324 1.00 0.12 O ATOM 1271 CB ILE A 85 16.174 21.860 -1.225 1.00 0.11 C ATOM 1272 CG1 ILE A 85 16.997 20.670 -1.744 1.00 0.09 C ATOM 1273 CG2 ILE A 85 16.851 23.173 -1.651 1.00 0.10 C ATOM 1274 CD1 ILE A 85 17.024 20.687 -3.274 1.00 0.09 C ATOM 0 H ILE A 85 14.442 20.478 -0.024 1.00 0.15 H new ATOM 0 HA ILE A 85 17.052 21.485 0.712 1.00 0.13 H new ATOM 0 HB ILE A 85 15.169 21.817 -1.644 1.00 0.11 H new ATOM 0 HG12 ILE A 85 18.013 20.720 -1.353 1.00 0.09 H new ATOM 0 HG13 ILE A 85 16.565 19.734 -1.389 1.00 0.09 H new ATOM 0 HG21 ILE A 85 16.912 23.215 -2.738 1.00 0.10 H new ATOM 0 HG22 ILE A 85 16.267 24.018 -1.288 1.00 0.10 H new ATOM 0 HG23 ILE A 85 17.855 23.218 -1.229 1.00 0.10 H new ATOM 0 HD11 ILE A 85 17.609 19.842 -3.637 1.00 0.09 H new ATOM 0 HD12 ILE A 85 16.006 20.615 -3.657 1.00 0.09 H new ATOM 0 HD13 ILE A 85 17.477 21.616 -3.620 1.00 0.09 H new ATOM 1286 N ARG A 86 14.481 23.557 0.840 1.00 0.12 N ATOM 1287 CA ARG A 86 14.111 24.900 1.359 1.00 0.11 C ATOM 1288 C ARG A 86 14.358 24.945 2.867 1.00 0.12 C ATOM 1289 O ARG A 86 14.924 25.891 3.380 1.00 0.12 O ATOM 1290 CB ARG A 86 12.637 25.186 1.071 1.00 0.13 C ATOM 1291 CG ARG A 86 12.353 26.666 1.334 1.00 0.69 C ATOM 1292 CD ARG A 86 10.874 26.966 1.084 1.00 0.74 C ATOM 1293 NE ARG A 86 10.040 26.222 2.068 1.00 1.28 N ATOM 1294 CZ ARG A 86 8.793 26.557 2.255 1.00 2.08 C ATOM 1295 NH1 ARG A 86 8.277 27.554 1.591 1.00 1.93 N ATOM 1296 NH2 ARG A 86 8.063 25.901 3.112 1.00 3.33 N ATOM 0 H ARG A 86 13.709 22.996 0.480 1.00 0.12 H new ATOM 0 HA ARG A 86 14.721 25.656 0.865 1.00 0.11 H new ATOM 0 HB2 ARG A 86 12.401 24.936 0.037 1.00 0.13 H new ATOM 0 HB3 ARG A 86 12.003 24.564 1.702 1.00 0.13 H new ATOM 0 HG2 ARG A 86 12.615 26.918 2.361 1.00 0.69 H new ATOM 0 HG3 ARG A 86 12.973 27.285 0.685 1.00 0.69 H new ATOM 0 HD2 ARG A 86 10.690 28.037 1.172 1.00 0.74 H new ATOM 0 HD3 ARG A 86 10.601 26.678 0.069 1.00 0.74 H new ATOM 0 HE ARG A 86 10.444 25.449 2.597 1.00 1.28 H new ATOM 0 HH11 ARG A 86 8.849 28.073 0.924 1.00 1.93 H new ATOM 0 HH12 ARG A 86 7.302 27.815 1.738 1.00 1.93 H new ATOM 0 HH21 ARG A 86 8.466 25.125 3.637 1.00 3.33 H new ATOM 0 HH22 ARG A 86 7.088 26.163 3.258 1.00 3.33 H new ATOM 1310 N GLU A 87 13.945 23.936 3.588 1.00 0.16 N ATOM 1311 CA GLU A 87 14.169 23.952 5.058 1.00 0.18 C ATOM 1312 C GLU A 87 15.671 24.040 5.340 1.00 0.17 C ATOM 1313 O GLU A 87 16.081 24.539 6.371 1.00 0.19 O ATOM 1314 CB GLU A 87 13.573 22.692 5.710 1.00 0.19 C ATOM 1315 CG GLU A 87 12.058 22.852 5.854 1.00 0.35 C ATOM 1316 CD GLU A 87 11.459 21.556 6.401 1.00 0.95 C ATOM 1317 OE1 GLU A 87 12.208 20.611 6.583 1.00 1.66 O ATOM 1318 OE2 GLU A 87 10.261 21.528 6.626 1.00 1.70 O ATOM 0 H GLU A 87 13.468 23.111 3.225 1.00 0.16 H new ATOM 0 HA GLU A 87 13.670 24.821 5.486 1.00 0.18 H new ATOM 0 HB2 GLU A 87 13.800 21.815 5.103 1.00 0.19 H new ATOM 0 HB3 GLU A 87 14.026 22.528 6.688 1.00 0.19 H new ATOM 0 HG2 GLU A 87 11.831 23.681 6.524 1.00 0.35 H new ATOM 0 HG3 GLU A 87 11.613 23.092 4.888 1.00 0.35 H new ATOM 1325 N ALA A 88 16.506 23.608 4.430 1.00 0.14 N ATOM 1326 CA ALA A 88 17.967 23.733 4.671 1.00 0.14 C ATOM 1327 C ALA A 88 18.348 25.159 4.345 1.00 0.13 C ATOM 1328 O ALA A 88 19.099 25.794 5.045 1.00 0.11 O ATOM 1329 CB ALA A 88 18.748 22.788 3.763 1.00 0.13 C ATOM 0 H ALA A 88 16.240 23.180 3.543 1.00 0.14 H new ATOM 0 HA ALA A 88 18.200 23.478 5.705 1.00 0.14 H new ATOM 0 HB1 ALA A 88 19.815 22.897 3.957 1.00 0.13 H new ATOM 0 HB2 ALA A 88 18.446 21.760 3.962 1.00 0.13 H new ATOM 0 HB3 ALA A 88 18.542 23.032 2.721 1.00 0.13 H new ATOM 1335 N PHE A 89 17.815 25.682 3.288 1.00 0.16 N ATOM 1336 CA PHE A 89 18.143 27.077 2.948 1.00 0.15 C ATOM 1337 C PHE A 89 17.618 27.963 4.082 1.00 0.16 C ATOM 1338 O PHE A 89 18.165 29.011 4.365 1.00 0.14 O ATOM 1339 CB PHE A 89 17.502 27.457 1.606 1.00 0.14 C ATOM 1340 CG PHE A 89 18.448 27.124 0.467 1.00 0.08 C ATOM 1341 CD1 PHE A 89 19.648 27.835 0.330 1.00 0.07 C ATOM 1342 CD2 PHE A 89 18.138 26.098 -0.443 1.00 0.08 C ATOM 1343 CE1 PHE A 89 20.516 27.532 -0.704 1.00 0.06 C ATOM 1344 CE2 PHE A 89 19.032 25.793 -1.491 1.00 0.09 C ATOM 1345 CZ PHE A 89 20.224 26.530 -1.611 1.00 0.08 C ATOM 0 H PHE A 89 17.173 25.208 2.652 1.00 0.16 H new ATOM 0 HA PHE A 89 19.220 27.210 2.842 1.00 0.15 H new ATOM 0 HB2 PHE A 89 16.562 26.921 1.478 1.00 0.14 H new ATOM 0 HB3 PHE A 89 17.266 28.521 1.595 1.00 0.14 H new ATOM 0 HD1 PHE A 89 19.895 28.619 1.031 1.00 0.07 H new ATOM 0 HD2 PHE A 89 17.217 25.544 -0.340 1.00 0.08 H new ATOM 0 HE1 PHE A 89 21.437 28.087 -0.804 1.00 0.06 H new ATOM 0 HE2 PHE A 89 18.804 25.004 -2.192 1.00 0.09 H new ATOM 0 HZ PHE A 89 20.913 26.313 -2.414 1.00 0.08 H new ATOM 1355 N ARG A 90 16.580 27.534 4.760 1.00 0.21 N ATOM 1356 CA ARG A 90 16.066 28.346 5.897 1.00 0.24 C ATOM 1357 C ARG A 90 17.163 28.392 6.956 1.00 0.25 C ATOM 1358 O ARG A 90 17.500 29.437 7.476 1.00 0.28 O ATOM 1359 CB ARG A 90 14.805 27.699 6.483 1.00 0.25 C ATOM 1360 CG ARG A 90 13.598 27.977 5.580 1.00 1.78 C ATOM 1361 CD ARG A 90 12.308 27.633 6.331 1.00 1.65 C ATOM 1362 NE ARG A 90 12.001 28.715 7.310 1.00 0.80 N ATOM 1363 CZ ARG A 90 10.810 28.800 7.840 1.00 1.04 C ATOM 1364 NH1 ARG A 90 9.886 27.940 7.509 1.00 2.60 N ATOM 1365 NH2 ARG A 90 10.544 29.745 8.698 1.00 0.77 N ATOM 0 H ARG A 90 16.075 26.667 4.575 1.00 0.21 H new ATOM 0 HA ARG A 90 15.806 29.350 5.562 1.00 0.24 H new ATOM 0 HB2 ARG A 90 14.953 26.624 6.584 1.00 0.25 H new ATOM 0 HB3 ARG A 90 14.618 28.090 7.483 1.00 0.25 H new ATOM 0 HG2 ARG A 90 13.588 29.025 5.280 1.00 1.78 H new ATOM 0 HG3 ARG A 90 13.669 27.385 4.668 1.00 1.78 H new ATOM 0 HD2 ARG A 90 11.484 27.520 5.627 1.00 1.65 H new ATOM 0 HD3 ARG A 90 12.419 26.680 6.848 1.00 1.65 H new ATOM 0 HE ARG A 90 12.722 29.390 7.566 1.00 0.80 H new ATOM 0 HH11 ARG A 90 10.094 27.202 6.837 1.00 2.60 H new ATOM 0 HH12 ARG A 90 8.956 28.006 7.923 1.00 2.60 H new ATOM 0 HH21 ARG A 90 11.266 30.418 8.955 1.00 0.77 H new ATOM 0 HH22 ARG A 90 9.614 29.811 9.112 1.00 0.77 H new ATOM 1379 N VAL A 91 17.747 27.260 7.249 1.00 0.23 N ATOM 1380 CA VAL A 91 18.860 27.226 8.247 1.00 0.25 C ATOM 1381 C VAL A 91 19.893 28.266 7.812 1.00 0.26 C ATOM 1382 O VAL A 91 20.703 28.731 8.589 1.00 0.33 O ATOM 1383 CB VAL A 91 19.510 25.815 8.252 1.00 0.23 C ATOM 1384 CG1 VAL A 91 20.989 25.890 8.670 1.00 0.25 C ATOM 1385 CG2 VAL A 91 18.754 24.896 9.228 1.00 0.27 C ATOM 0 H VAL A 91 17.503 26.357 6.842 1.00 0.23 H new ATOM 0 HA VAL A 91 18.491 27.443 9.249 1.00 0.25 H new ATOM 0 HB VAL A 91 19.452 25.412 7.241 1.00 0.23 H new ATOM 0 HG11 VAL A 91 21.420 24.889 8.665 1.00 0.25 H new ATOM 0 HG12 VAL A 91 21.534 26.523 7.969 1.00 0.25 H new ATOM 0 HG13 VAL A 91 21.063 26.312 9.672 1.00 0.25 H new ATOM 0 HG21 VAL A 91 19.214 23.908 9.228 1.00 0.27 H new ATOM 0 HG22 VAL A 91 18.799 25.317 10.233 1.00 0.27 H new ATOM 0 HG23 VAL A 91 17.713 24.812 8.916 1.00 0.27 H new ATOM 1395 N PHE A 92 19.885 28.586 6.550 1.00 0.23 N ATOM 1396 CA PHE A 92 20.875 29.545 5.993 1.00 0.27 C ATOM 1397 C PHE A 92 20.274 30.943 5.840 1.00 0.37 C ATOM 1398 O PHE A 92 20.976 31.918 5.686 1.00 0.39 O ATOM 1399 CB PHE A 92 21.320 28.962 4.644 1.00 0.21 C ATOM 1400 CG PHE A 92 22.503 28.066 4.875 1.00 0.16 C ATOM 1401 CD1 PHE A 92 22.341 26.711 5.226 1.00 0.12 C ATOM 1402 CD2 PHE A 92 23.768 28.625 4.790 1.00 0.19 C ATOM 1403 CE1 PHE A 92 23.464 25.931 5.499 1.00 0.15 C ATOM 1404 CE2 PHE A 92 24.895 27.842 5.045 1.00 0.16 C ATOM 1405 CZ PHE A 92 24.740 26.496 5.408 1.00 0.14 C ATOM 0 H PHE A 92 19.222 28.216 5.869 1.00 0.23 H new ATOM 0 HA PHE A 92 21.727 29.668 6.662 1.00 0.27 H new ATOM 0 HB2 PHE A 92 20.505 28.401 4.187 1.00 0.21 H new ATOM 0 HB3 PHE A 92 21.582 29.764 3.954 1.00 0.21 H new ATOM 0 HD1 PHE A 92 21.353 26.279 5.283 1.00 0.12 H new ATOM 0 HD2 PHE A 92 23.882 29.666 4.527 1.00 0.19 H new ATOM 0 HE1 PHE A 92 23.349 24.894 5.780 1.00 0.15 H new ATOM 0 HE2 PHE A 92 25.883 28.271 4.963 1.00 0.16 H new ATOM 0 HZ PHE A 92 25.611 25.893 5.618 1.00 0.14 H new ATOM 1415 N ASP A 93 18.990 31.045 5.913 1.00 0.48 N ATOM 1416 CA ASP A 93 18.306 32.372 5.796 1.00 0.62 C ATOM 1417 C ASP A 93 17.169 32.456 6.818 1.00 1.67 C ATOM 1418 O ASP A 93 16.010 32.466 6.456 1.00 2.37 O ATOM 1419 CB ASP A 93 17.705 32.490 4.396 1.00 1.40 C ATOM 1420 CG ASP A 93 17.144 33.897 4.191 1.00 1.72 C ATOM 1421 OD1 ASP A 93 16.105 34.188 4.759 1.00 1.11 O ATOM 1422 OD2 ASP A 93 17.762 34.660 3.466 1.00 2.72 O ATOM 0 H ASP A 93 18.361 30.255 6.052 1.00 0.48 H new ATOM 0 HA ASP A 93 19.025 33.171 5.977 1.00 0.62 H new ATOM 0 HB2 ASP A 93 18.466 32.279 3.645 1.00 1.40 H new ATOM 0 HB3 ASP A 93 16.915 31.751 4.266 1.00 1.40 H new ATOM 1427 N LYS A 94 17.473 32.509 8.092 1.00 2.19 N ATOM 1428 CA LYS A 94 16.380 32.585 9.103 1.00 3.36 C ATOM 1429 C LYS A 94 15.866 34.017 9.226 1.00 3.24 C ATOM 1430 O LYS A 94 14.977 34.427 8.506 1.00 4.33 O ATOM 1431 CB LYS A 94 16.869 32.024 10.460 1.00 4.32 C ATOM 1432 CG LYS A 94 16.787 30.490 10.456 1.00 4.97 C ATOM 1433 CD LYS A 94 17.069 29.965 11.866 1.00 6.03 C ATOM 1434 CE LYS A 94 16.926 28.441 11.892 1.00 6.96 C ATOM 1435 NZ LYS A 94 16.711 27.983 13.295 1.00 7.86 N ATOM 0 H LYS A 94 18.420 32.503 8.470 1.00 2.19 H new ATOM 0 HA LYS A 94 15.543 31.969 8.775 1.00 3.36 H new ATOM 0 HB2 LYS A 94 17.895 32.341 10.645 1.00 4.32 H new ATOM 0 HB3 LYS A 94 16.260 32.427 11.270 1.00 4.32 H new ATOM 0 HG2 LYS A 94 15.799 30.168 10.126 1.00 4.97 H new ATOM 0 HG3 LYS A 94 17.509 30.078 9.751 1.00 4.97 H new ATOM 0 HD2 LYS A 94 18.075 30.250 12.175 1.00 6.03 H new ATOM 0 HD3 LYS A 94 16.377 30.416 12.577 1.00 6.03 H new ATOM 0 HE2 LYS A 94 16.088 28.133 11.266 1.00 6.96 H new ATOM 0 HE3 LYS A 94 17.821 27.975 11.479 1.00 6.96 H new ATOM 0 HZ1 LYS A 94 16.614 26.948 13.311 1.00 7.86 H new ATOM 0 HZ2 LYS A 94 17.524 28.264 13.880 1.00 7.86 H new ATOM 0 HZ3 LYS A 94 15.845 28.418 13.673 1.00 7.86 H new ATOM 1449 N ASP A 95 16.419 34.776 10.115 1.00 2.72 N ATOM 1450 CA ASP A 95 15.988 36.190 10.299 1.00 2.58 C ATOM 1451 C ASP A 95 17.143 37.072 9.870 1.00 0.99 C ATOM 1452 O ASP A 95 17.274 38.204 10.289 1.00 1.62 O ATOM 1453 CB ASP A 95 15.704 36.427 11.776 1.00 4.65 C ATOM 1454 CG ASP A 95 15.023 37.784 11.961 1.00 5.07 C ATOM 1455 OD1 ASP A 95 14.815 38.462 10.967 1.00 4.49 O ATOM 1456 OD2 ASP A 95 14.721 38.123 13.094 1.00 6.28 O ATOM 0 H ASP A 95 17.168 34.476 10.739 1.00 2.72 H new ATOM 0 HA ASP A 95 15.093 36.409 9.716 1.00 2.58 H new ATOM 0 HB2 ASP A 95 15.066 35.634 12.165 1.00 4.65 H new ATOM 0 HB3 ASP A 95 16.634 36.396 12.344 1.00 4.65 H new ATOM 1461 N GLY A 96 17.993 36.546 9.044 1.00 1.52 N ATOM 1462 CA GLY A 96 19.159 37.346 8.595 1.00 3.88 C ATOM 1463 C GLY A 96 18.662 38.477 7.694 1.00 4.00 C ATOM 1464 O GLY A 96 18.386 39.565 8.160 1.00 4.98 O ATOM 0 H GLY A 96 17.933 35.602 8.661 1.00 1.52 H new ATOM 0 HA2 GLY A 96 19.690 37.754 9.455 1.00 3.88 H new ATOM 0 HA3 GLY A 96 19.864 36.715 8.054 1.00 3.88 H new ATOM 1468 N ASN A 97 18.537 38.242 6.409 1.00 3.03 N ATOM 1469 CA ASN A 97 18.048 39.323 5.493 1.00 3.07 C ATOM 1470 C ASN A 97 17.102 38.744 4.432 1.00 2.70 C ATOM 1471 O ASN A 97 17.026 39.254 3.338 1.00 3.18 O ATOM 1472 CB ASN A 97 19.247 39.967 4.797 1.00 3.05 C ATOM 1473 CG ASN A 97 18.815 41.279 4.143 1.00 3.21 C ATOM 1474 OD1 ASN A 97 19.643 42.060 3.716 1.00 4.32 O ATOM 1475 ND2 ASN A 97 17.545 41.558 4.041 1.00 2.19 N ATOM 0 H ASN A 97 18.751 37.353 5.956 1.00 3.03 H new ATOM 0 HA ASN A 97 17.506 40.065 6.080 1.00 3.07 H new ATOM 0 HB2 ASN A 97 20.043 40.153 5.519 1.00 3.05 H new ATOM 0 HB3 ASN A 97 19.651 39.289 4.045 1.00 3.05 H new ATOM 0 HD21 ASN A 97 17.248 42.430 3.604 1.00 2.19 H new ATOM 0 HD22 ASN A 97 16.849 40.904 4.399 1.00 2.19 H new ATOM 1482 N GLY A 98 16.386 37.690 4.733 1.00 2.14 N ATOM 1483 CA GLY A 98 15.463 37.102 3.714 1.00 2.17 C ATOM 1484 C GLY A 98 16.263 36.588 2.509 1.00 1.53 C ATOM 1485 O GLY A 98 15.739 35.916 1.642 1.00 1.56 O ATOM 0 H GLY A 98 16.400 37.213 5.635 1.00 2.14 H new ATOM 0 HA2 GLY A 98 14.893 36.285 4.157 1.00 2.17 H new ATOM 0 HA3 GLY A 98 14.743 37.853 3.388 1.00 2.17 H new ATOM 1489 N TYR A 99 17.525 36.899 2.457 1.00 1.09 N ATOM 1490 CA TYR A 99 18.394 36.443 1.326 1.00 0.44 C ATOM 1491 C TYR A 99 19.716 35.930 1.902 1.00 0.27 C ATOM 1492 O TYR A 99 19.988 36.087 3.075 1.00 0.25 O ATOM 1493 CB TYR A 99 18.677 37.624 0.390 1.00 0.35 C ATOM 1494 CG TYR A 99 17.451 37.929 -0.446 1.00 0.27 C ATOM 1495 CD1 TYR A 99 16.343 38.552 0.138 1.00 0.71 C ATOM 1496 CD2 TYR A 99 17.429 37.597 -1.804 1.00 0.96 C ATOM 1497 CE1 TYR A 99 15.212 38.841 -0.634 1.00 0.74 C ATOM 1498 CE2 TYR A 99 16.298 37.885 -2.578 1.00 0.90 C ATOM 1499 CZ TYR A 99 15.188 38.506 -1.992 1.00 0.14 C ATOM 1500 OH TYR A 99 14.074 38.794 -2.754 1.00 0.09 O ATOM 0 H TYR A 99 18.005 37.460 3.161 1.00 1.09 H new ATOM 0 HA TYR A 99 17.893 35.652 0.768 1.00 0.44 H new ATOM 0 HB2 TYR A 99 18.957 38.501 0.973 1.00 0.35 H new ATOM 0 HB3 TYR A 99 19.521 37.390 -0.259 1.00 0.35 H new ATOM 0 HD1 TYR A 99 16.360 38.810 1.186 1.00 0.71 H new ATOM 0 HD2 TYR A 99 18.285 37.118 -2.256 1.00 0.96 H new ATOM 0 HE1 TYR A 99 14.358 39.323 -0.181 1.00 0.74 H new ATOM 0 HE2 TYR A 99 16.282 37.628 -3.627 1.00 0.90 H new ATOM 0 HH TYR A 99 14.222 38.497 -3.676 1.00 0.09 H new ATOM 1510 N ILE A 100 20.539 35.317 1.090 1.00 0.20 N ATOM 1511 CA ILE A 100 21.851 34.792 1.597 1.00 0.03 C ATOM 1512 C ILE A 100 22.967 35.037 0.568 1.00 0.03 C ATOM 1513 O ILE A 100 22.717 35.391 -0.568 1.00 0.16 O ATOM 1514 CB ILE A 100 21.738 33.291 1.896 1.00 0.20 C ATOM 1515 CG1 ILE A 100 20.917 32.566 0.816 1.00 0.63 C ATOM 1516 CG2 ILE A 100 21.084 33.084 3.267 1.00 0.18 C ATOM 1517 CD1 ILE A 100 20.902 31.043 1.075 1.00 0.60 C ATOM 0 H ILE A 100 20.363 35.156 0.098 1.00 0.20 H new ATOM 0 HA ILE A 100 22.102 35.323 2.516 1.00 0.03 H new ATOM 0 HB ILE A 100 22.743 32.870 1.899 1.00 0.20 H new ATOM 0 HG12 ILE A 100 19.897 32.949 0.809 1.00 0.63 H new ATOM 0 HG13 ILE A 100 21.340 32.769 -0.168 1.00 0.63 H new ATOM 0 HG21 ILE A 100 21.006 32.017 3.475 1.00 0.18 H new ATOM 0 HG22 ILE A 100 21.692 33.560 4.036 1.00 0.18 H new ATOM 0 HG23 ILE A 100 20.088 33.527 3.266 1.00 0.18 H new ATOM 0 HD11 ILE A 100 20.316 30.548 0.300 1.00 0.60 H new ATOM 0 HD12 ILE A 100 21.923 30.661 1.058 1.00 0.60 H new ATOM 0 HD13 ILE A 100 20.456 30.844 2.050 1.00 0.60 H new ATOM 1529 N SER A 101 24.209 34.856 0.972 1.00 0.15 N ATOM 1530 CA SER A 101 25.350 35.084 0.034 1.00 0.21 C ATOM 1531 C SER A 101 25.548 33.867 -0.876 1.00 0.14 C ATOM 1532 O SER A 101 25.417 32.737 -0.454 1.00 0.18 O ATOM 1533 CB SER A 101 26.625 35.352 0.838 1.00 0.33 C ATOM 1534 OG SER A 101 26.989 34.176 1.549 1.00 0.37 O ATOM 0 H SER A 101 24.475 34.560 1.911 1.00 0.15 H new ATOM 0 HA SER A 101 25.128 35.948 -0.592 1.00 0.21 H new ATOM 0 HB2 SER A 101 27.433 35.652 0.171 1.00 0.33 H new ATOM 0 HB3 SER A 101 26.464 36.176 1.533 1.00 0.33 H new ATOM 0 HG SER A 101 26.359 34.031 2.286 1.00 0.37 H new ATOM 1540 N ALA A 102 25.872 34.093 -2.122 1.00 0.15 N ATOM 1541 CA ALA A 102 26.092 32.953 -3.061 1.00 0.12 C ATOM 1542 C ALA A 102 26.943 31.868 -2.395 1.00 0.12 C ATOM 1543 O ALA A 102 26.774 30.696 -2.651 1.00 0.12 O ATOM 1544 CB ALA A 102 26.816 33.457 -4.309 1.00 0.16 C ATOM 0 H ALA A 102 25.994 35.019 -2.531 1.00 0.15 H new ATOM 0 HA ALA A 102 25.124 32.531 -3.332 1.00 0.12 H new ATOM 0 HB1 ALA A 102 26.978 32.626 -4.996 1.00 0.16 H new ATOM 0 HB2 ALA A 102 26.210 34.220 -4.798 1.00 0.16 H new ATOM 0 HB3 ALA A 102 27.777 33.885 -4.024 1.00 0.16 H new ATOM 1550 N ALA A 103 27.861 32.246 -1.552 1.00 0.16 N ATOM 1551 CA ALA A 103 28.718 31.229 -0.882 1.00 0.19 C ATOM 1552 C ALA A 103 27.859 30.376 0.047 1.00 0.17 C ATOM 1553 O ALA A 103 27.591 29.226 -0.222 1.00 0.25 O ATOM 1554 CB ALA A 103 29.810 31.932 -0.072 1.00 0.24 C ATOM 0 H ALA A 103 28.055 33.214 -1.298 1.00 0.16 H new ATOM 0 HA ALA A 103 29.183 30.591 -1.634 1.00 0.19 H new ATOM 0 HB1 ALA A 103 30.436 31.187 0.418 1.00 0.24 H new ATOM 0 HB2 ALA A 103 30.423 32.540 -0.738 1.00 0.24 H new ATOM 0 HB3 ALA A 103 29.350 32.571 0.682 1.00 0.24 H new ATOM 1560 N GLU A 104 27.426 30.941 1.131 1.00 0.37 N ATOM 1561 CA GLU A 104 26.576 30.180 2.089 1.00 0.39 C ATOM 1562 C GLU A 104 25.439 29.482 1.307 1.00 0.30 C ATOM 1563 O GLU A 104 24.952 28.446 1.713 1.00 0.28 O ATOM 1564 CB GLU A 104 26.074 31.157 3.168 1.00 0.66 C ATOM 1565 CG GLU A 104 24.786 31.830 2.757 1.00 1.39 C ATOM 1566 CD GLU A 104 24.424 32.872 3.819 1.00 1.06 C ATOM 1567 OE1 GLU A 104 23.873 32.484 4.837 1.00 1.49 O ATOM 1568 OE2 GLU A 104 24.707 34.038 3.601 1.00 0.45 O ATOM 0 H GLU A 104 27.623 31.905 1.401 1.00 0.37 H new ATOM 0 HA GLU A 104 27.133 29.393 2.597 1.00 0.39 H new ATOM 0 HB2 GLU A 104 25.921 30.619 4.103 1.00 0.66 H new ATOM 0 HB3 GLU A 104 26.836 31.914 3.357 1.00 0.66 H new ATOM 0 HG2 GLU A 104 24.901 32.306 1.783 1.00 1.39 H new ATOM 0 HG3 GLU A 104 23.988 31.094 2.660 1.00 1.39 H new ATOM 1575 N LEU A 105 25.058 30.003 0.156 1.00 0.29 N ATOM 1576 CA LEU A 105 24.009 29.313 -0.668 1.00 0.32 C ATOM 1577 C LEU A 105 24.679 28.095 -1.306 1.00 0.24 C ATOM 1578 O LEU A 105 24.209 26.980 -1.202 1.00 0.26 O ATOM 1579 CB LEU A 105 23.488 30.266 -1.759 1.00 0.41 C ATOM 1580 CG LEU A 105 22.715 29.481 -2.890 1.00 0.27 C ATOM 1581 CD1 LEU A 105 21.320 30.074 -3.185 1.00 0.23 C ATOM 1582 CD2 LEU A 105 23.518 29.508 -4.186 1.00 0.53 C ATOM 0 H LEU A 105 25.425 30.867 -0.243 1.00 0.29 H new ATOM 0 HA LEU A 105 23.160 29.013 -0.054 1.00 0.32 H new ATOM 0 HB2 LEU A 105 22.826 31.007 -1.311 1.00 0.41 H new ATOM 0 HB3 LEU A 105 24.324 30.810 -2.198 1.00 0.41 H new ATOM 0 HG LEU A 105 22.587 28.463 -2.522 1.00 0.27 H new ATOM 0 HD11 LEU A 105 20.836 29.493 -3.970 1.00 0.23 H new ATOM 0 HD12 LEU A 105 20.711 30.040 -2.281 1.00 0.23 H new ATOM 0 HD13 LEU A 105 21.426 31.108 -3.512 1.00 0.23 H new ATOM 0 HD21 LEU A 105 22.977 28.964 -4.960 1.00 0.53 H new ATOM 0 HD22 LEU A 105 23.664 30.541 -4.502 1.00 0.53 H new ATOM 0 HD23 LEU A 105 24.488 29.038 -4.023 1.00 0.53 H new ATOM 1594 N ARG A 106 25.796 28.307 -1.945 1.00 0.19 N ATOM 1595 CA ARG A 106 26.529 27.170 -2.567 1.00 0.17 C ATOM 1596 C ARG A 106 26.838 26.169 -1.457 1.00 0.11 C ATOM 1597 O ARG A 106 26.973 24.983 -1.678 1.00 0.10 O ATOM 1598 CB ARG A 106 27.852 27.674 -3.170 1.00 0.16 C ATOM 1599 CG ARG A 106 27.621 28.235 -4.583 1.00 1.00 C ATOM 1600 CD ARG A 106 28.831 29.103 -5.030 1.00 1.11 C ATOM 1601 NE ARG A 106 29.297 28.693 -6.397 1.00 1.68 N ATOM 1602 CZ ARG A 106 29.613 27.456 -6.678 1.00 1.88 C ATOM 1603 NH1 ARG A 106 29.637 26.552 -5.736 1.00 1.88 N ATOM 1604 NH2 ARG A 106 29.941 27.129 -7.897 1.00 2.73 N ATOM 0 H ARG A 106 26.233 29.221 -2.063 1.00 0.19 H new ATOM 0 HA ARG A 106 25.932 26.714 -3.356 1.00 0.17 H new ATOM 0 HB2 ARG A 106 28.279 28.447 -2.531 1.00 0.16 H new ATOM 0 HB3 ARG A 106 28.574 26.859 -3.210 1.00 0.16 H new ATOM 0 HG2 ARG A 106 27.475 27.415 -5.286 1.00 1.00 H new ATOM 0 HG3 ARG A 106 26.711 28.834 -4.598 1.00 1.00 H new ATOM 0 HD2 ARG A 106 28.548 30.156 -5.037 1.00 1.11 H new ATOM 0 HD3 ARG A 106 29.646 28.997 -4.314 1.00 1.11 H new ATOM 0 HE ARG A 106 29.369 29.401 -7.128 1.00 1.68 H new ATOM 0 HH11 ARG A 106 29.409 26.810 -4.776 1.00 1.88 H new ATOM 0 HH12 ARG A 106 29.884 25.588 -5.960 1.00 1.88 H new ATOM 0 HH21 ARG A 106 29.951 27.838 -8.630 1.00 2.73 H new ATOM 0 HH22 ARG A 106 30.188 26.164 -8.117 1.00 2.73 H new ATOM 1618 N HIS A 107 26.957 26.663 -0.256 1.00 0.17 N ATOM 1619 CA HIS A 107 27.266 25.791 0.895 1.00 0.15 C ATOM 1620 C HIS A 107 26.002 24.989 1.241 1.00 0.16 C ATOM 1621 O HIS A 107 26.053 23.798 1.466 1.00 0.23 O ATOM 1622 CB HIS A 107 27.703 26.691 2.059 1.00 0.14 C ATOM 1623 CG HIS A 107 28.636 25.943 2.973 1.00 0.17 C ATOM 1624 ND1 HIS A 107 29.979 25.776 2.677 1.00 0.35 N ATOM 1625 CD2 HIS A 107 28.439 25.324 4.173 1.00 0.37 C ATOM 1626 CE1 HIS A 107 30.532 25.077 3.684 1.00 0.49 C ATOM 1627 NE2 HIS A 107 29.637 24.777 4.625 1.00 0.48 N ATOM 0 H HIS A 107 26.850 27.651 -0.027 1.00 0.17 H new ATOM 0 HA HIS A 107 28.069 25.087 0.676 1.00 0.15 H new ATOM 0 HB2 HIS A 107 28.197 27.582 1.673 1.00 0.14 H new ATOM 0 HB3 HIS A 107 26.829 27.027 2.616 1.00 0.14 H new ATOM 0 HD2 HIS A 107 27.495 25.267 4.694 1.00 0.37 H new ATOM 0 HE1 HIS A 107 31.573 24.794 3.725 1.00 0.49 H new ATOM 0 HE2 HIS A 107 29.795 24.259 5.489 1.00 0.48 H new ATOM 1635 N VAL A 108 24.858 25.630 1.246 1.00 0.15 N ATOM 1636 CA VAL A 108 23.587 24.902 1.531 1.00 0.15 C ATOM 1637 C VAL A 108 23.527 23.677 0.618 1.00 0.13 C ATOM 1638 O VAL A 108 23.054 22.624 0.998 1.00 0.14 O ATOM 1639 CB VAL A 108 22.375 25.795 1.188 1.00 0.14 C ATOM 1640 CG1 VAL A 108 21.074 24.953 1.257 1.00 0.19 C ATOM 1641 CG2 VAL A 108 22.291 26.976 2.176 1.00 0.18 C ATOM 0 H VAL A 108 24.752 26.628 1.064 1.00 0.15 H new ATOM 0 HA VAL A 108 23.558 24.625 2.585 1.00 0.15 H new ATOM 0 HB VAL A 108 22.495 26.190 0.179 1.00 0.14 H new ATOM 0 HG11 VAL A 108 20.219 25.584 1.015 1.00 0.19 H new ATOM 0 HG12 VAL A 108 21.133 24.132 0.542 1.00 0.19 H new ATOM 0 HG13 VAL A 108 20.954 24.550 2.263 1.00 0.19 H new ATOM 0 HG21 VAL A 108 21.433 27.600 1.925 1.00 0.18 H new ATOM 0 HG22 VAL A 108 22.178 26.594 3.191 1.00 0.18 H new ATOM 0 HG23 VAL A 108 23.203 27.570 2.111 1.00 0.18 H new ATOM 1651 N MET A 109 23.970 23.830 -0.610 1.00 0.10 N ATOM 1652 CA MET A 109 23.897 22.697 -1.572 1.00 0.09 C ATOM 1653 C MET A 109 24.984 21.648 -1.278 1.00 0.08 C ATOM 1654 O MET A 109 24.807 20.479 -1.554 1.00 0.07 O ATOM 1655 CB MET A 109 24.066 23.229 -3.005 1.00 0.09 C ATOM 1656 CG MET A 109 23.030 24.326 -3.288 1.00 0.11 C ATOM 1657 SD MET A 109 23.600 25.344 -4.672 1.00 0.10 S ATOM 1658 CE MET A 109 22.800 24.405 -5.994 1.00 0.12 C ATOM 0 H MET A 109 24.376 24.689 -0.980 1.00 0.10 H new ATOM 0 HA MET A 109 22.924 22.218 -1.466 1.00 0.09 H new ATOM 0 HB2 MET A 109 25.072 23.626 -3.137 1.00 0.09 H new ATOM 0 HB3 MET A 109 23.948 22.414 -3.720 1.00 0.09 H new ATOM 0 HG2 MET A 109 22.065 23.878 -3.524 1.00 0.11 H new ATOM 0 HG3 MET A 109 22.886 24.944 -2.402 1.00 0.11 H new ATOM 0 HE1 MET A 109 22.994 24.887 -6.952 1.00 0.12 H new ATOM 0 HE2 MET A 109 23.198 23.390 -6.012 1.00 0.12 H new ATOM 0 HE3 MET A 109 21.725 24.370 -5.817 1.00 0.12 H new ATOM 1668 N THR A 110 26.117 22.042 -0.741 1.00 0.07 N ATOM 1669 CA THR A 110 27.196 21.062 -0.463 1.00 0.06 C ATOM 1670 C THR A 110 26.967 20.394 0.906 1.00 0.07 C ATOM 1671 O THR A 110 27.111 19.197 1.054 1.00 0.08 O ATOM 1672 CB THR A 110 28.536 21.833 -0.487 1.00 0.06 C ATOM 1673 OG1 THR A 110 28.269 23.203 -0.743 1.00 0.12 O ATOM 1674 CG2 THR A 110 29.455 21.294 -1.589 1.00 0.07 C ATOM 0 H THR A 110 26.333 23.006 -0.486 1.00 0.07 H new ATOM 0 HA THR A 110 27.206 20.270 -1.212 1.00 0.06 H new ATOM 0 HB THR A 110 29.032 21.708 0.476 1.00 0.06 H new ATOM 0 HG1 THR A 110 27.883 23.299 -1.639 1.00 0.12 H new ATOM 0 HG21 THR A 110 30.392 21.852 -1.587 1.00 0.07 H new ATOM 0 HG22 THR A 110 29.660 20.239 -1.408 1.00 0.07 H new ATOM 0 HG23 THR A 110 28.967 21.408 -2.557 1.00 0.07 H new ATOM 1682 N ASN A 111 26.626 21.158 1.910 1.00 0.06 N ATOM 1683 CA ASN A 111 26.406 20.564 3.261 1.00 0.08 C ATOM 1684 C ASN A 111 25.232 19.594 3.216 1.00 0.11 C ATOM 1685 O ASN A 111 25.170 18.639 3.963 1.00 0.17 O ATOM 1686 CB ASN A 111 26.110 21.680 4.265 1.00 0.07 C ATOM 1687 CG ASN A 111 25.850 21.073 5.646 1.00 0.72 C ATOM 1688 OD1 ASN A 111 24.729 20.738 5.973 1.00 1.51 O ATOM 1689 ND2 ASN A 111 26.847 20.915 6.475 1.00 0.82 N ATOM 0 H ASN A 111 26.490 22.167 1.853 1.00 0.06 H new ATOM 0 HA ASN A 111 27.303 20.025 3.567 1.00 0.08 H new ATOM 0 HB2 ASN A 111 26.951 22.372 4.313 1.00 0.07 H new ATOM 0 HB3 ASN A 111 25.243 22.255 3.940 1.00 0.07 H new ATOM 0 HD21 ASN A 111 26.684 20.510 7.397 1.00 0.82 H new ATOM 0 HD22 ASN A 111 27.788 21.196 6.200 1.00 0.82 H new ATOM 1696 N LEU A 112 24.297 19.841 2.353 1.00 0.09 N ATOM 1697 CA LEU A 112 23.110 18.943 2.257 1.00 0.12 C ATOM 1698 C LEU A 112 23.554 17.526 1.911 1.00 0.15 C ATOM 1699 O LEU A 112 22.902 16.552 2.228 1.00 0.19 O ATOM 1700 CB LEU A 112 22.149 19.474 1.173 1.00 0.08 C ATOM 1701 CG LEU A 112 21.124 20.438 1.795 1.00 0.12 C ATOM 1702 CD1 LEU A 112 20.308 21.092 0.677 1.00 0.10 C ATOM 1703 CD2 LEU A 112 20.186 19.678 2.765 1.00 0.18 C ATOM 0 H LEU A 112 24.298 20.628 1.704 1.00 0.09 H new ATOM 0 HA LEU A 112 22.595 18.924 3.217 1.00 0.12 H new ATOM 0 HB2 LEU A 112 22.715 19.986 0.395 1.00 0.08 H new ATOM 0 HB3 LEU A 112 21.632 18.641 0.696 1.00 0.08 H new ATOM 0 HG LEU A 112 21.650 21.207 2.361 1.00 0.12 H new ATOM 0 HD11 LEU A 112 19.579 21.777 1.111 1.00 0.10 H new ATOM 0 HD12 LEU A 112 20.975 21.644 0.015 1.00 0.10 H new ATOM 0 HD13 LEU A 112 19.788 20.322 0.108 1.00 0.10 H new ATOM 0 HD21 LEU A 112 19.467 20.375 3.196 1.00 0.18 H new ATOM 0 HD22 LEU A 112 19.654 18.898 2.220 1.00 0.18 H new ATOM 0 HD23 LEU A 112 20.776 19.226 3.562 1.00 0.18 H new ATOM 1715 N GLY A 113 24.658 17.420 1.263 1.00 0.15 N ATOM 1716 CA GLY A 113 25.191 16.081 0.872 1.00 0.21 C ATOM 1717 C GLY A 113 24.622 15.681 -0.491 1.00 0.16 C ATOM 1718 O GLY A 113 24.443 14.514 -0.780 1.00 0.27 O ATOM 0 H GLY A 113 25.235 18.211 0.976 1.00 0.15 H new ATOM 0 HA2 GLY A 113 26.280 16.110 0.829 1.00 0.21 H new ATOM 0 HA3 GLY A 113 24.922 15.338 1.622 1.00 0.21 H new ATOM 1722 N GLU A 114 24.339 16.637 -1.329 1.00 0.20 N ATOM 1723 CA GLU A 114 23.787 16.315 -2.670 1.00 0.37 C ATOM 1724 C GLU A 114 24.938 15.884 -3.596 1.00 0.35 C ATOM 1725 O GLU A 114 26.009 16.456 -3.556 1.00 0.55 O ATOM 1726 CB GLU A 114 23.111 17.564 -3.240 1.00 0.54 C ATOM 1727 CG GLU A 114 21.809 17.832 -2.483 1.00 0.59 C ATOM 1728 CD GLU A 114 20.750 16.809 -2.907 1.00 0.71 C ATOM 1729 OE1 GLU A 114 21.028 16.041 -3.813 1.00 1.94 O ATOM 1730 OE2 GLU A 114 19.684 16.810 -2.315 1.00 1.41 O ATOM 0 H GLU A 114 24.467 17.631 -1.141 1.00 0.20 H new ATOM 0 HA GLU A 114 23.059 15.507 -2.593 1.00 0.37 H new ATOM 0 HB2 GLU A 114 23.777 18.422 -3.153 1.00 0.54 H new ATOM 0 HB3 GLU A 114 22.905 17.426 -4.301 1.00 0.54 H new ATOM 0 HG2 GLU A 114 21.981 17.769 -1.409 1.00 0.59 H new ATOM 0 HG3 GLU A 114 21.457 18.843 -2.690 1.00 0.59 H new ATOM 1737 N LYS A 115 24.743 14.880 -4.422 1.00 0.14 N ATOM 1738 CA LYS A 115 25.849 14.437 -5.322 1.00 0.15 C ATOM 1739 C LYS A 115 25.929 15.350 -6.536 1.00 0.11 C ATOM 1740 O LYS A 115 26.240 14.936 -7.635 1.00 0.20 O ATOM 1741 CB LYS A 115 25.592 13.004 -5.779 1.00 0.24 C ATOM 1742 CG LYS A 115 25.992 12.022 -4.669 1.00 0.47 C ATOM 1743 CD LYS A 115 25.785 10.579 -5.148 1.00 0.63 C ATOM 1744 CE LYS A 115 26.715 10.268 -6.331 1.00 1.96 C ATOM 1745 NZ LYS A 115 27.006 8.806 -6.362 1.00 2.42 N ATOM 0 H LYS A 115 23.873 14.355 -4.509 1.00 0.14 H new ATOM 0 HA LYS A 115 26.792 14.483 -4.777 1.00 0.15 H new ATOM 0 HB2 LYS A 115 24.539 12.876 -6.028 1.00 0.24 H new ATOM 0 HB3 LYS A 115 26.161 12.794 -6.685 1.00 0.24 H new ATOM 0 HG2 LYS A 115 27.035 12.177 -4.393 1.00 0.47 H new ATOM 0 HG3 LYS A 115 25.395 12.207 -3.776 1.00 0.47 H new ATOM 0 HD2 LYS A 115 25.982 9.886 -4.330 1.00 0.63 H new ATOM 0 HD3 LYS A 115 24.747 10.433 -5.446 1.00 0.63 H new ATOM 0 HE2 LYS A 115 26.248 10.577 -7.266 1.00 1.96 H new ATOM 0 HE3 LYS A 115 27.643 10.833 -6.237 1.00 1.96 H new ATOM 0 HZ1 LYS A 115 27.635 8.594 -7.162 1.00 2.42 H new ATOM 0 HZ2 LYS A 115 27.469 8.525 -5.474 1.00 2.42 H new ATOM 0 HZ3 LYS A 115 26.117 8.277 -6.471 1.00 2.42 H new ATOM 1759 N LEU A 116 25.670 16.591 -6.328 1.00 0.30 N ATOM 1760 CA LEU A 116 25.745 17.576 -7.450 1.00 0.42 C ATOM 1761 C LEU A 116 27.201 18.003 -7.619 1.00 0.45 C ATOM 1762 O LEU A 116 27.868 18.349 -6.667 1.00 0.56 O ATOM 1763 CB LEU A 116 24.881 18.805 -7.143 1.00 0.55 C ATOM 1764 CG LEU A 116 23.396 18.403 -7.112 1.00 1.37 C ATOM 1765 CD1 LEU A 116 22.587 19.503 -6.417 1.00 1.72 C ATOM 1766 CD2 LEU A 116 22.861 18.203 -8.542 1.00 1.94 C ATOM 0 H LEU A 116 25.405 16.985 -5.425 1.00 0.30 H new ATOM 0 HA LEU A 116 25.374 17.116 -8.366 1.00 0.42 H new ATOM 0 HB2 LEU A 116 25.171 19.235 -6.184 1.00 0.55 H new ATOM 0 HB3 LEU A 116 25.044 19.573 -7.899 1.00 0.55 H new ATOM 0 HG LEU A 116 23.297 17.465 -6.565 1.00 1.37 H new ATOM 0 HD11 LEU A 116 21.534 19.221 -6.394 1.00 1.72 H new ATOM 0 HD12 LEU A 116 22.951 19.633 -5.398 1.00 1.72 H new ATOM 0 HD13 LEU A 116 22.700 20.439 -6.965 1.00 1.72 H new ATOM 0 HD21 LEU A 116 21.809 17.919 -8.501 1.00 1.94 H new ATOM 0 HD22 LEU A 116 22.964 19.132 -9.102 1.00 1.94 H new ATOM 0 HD23 LEU A 116 23.430 17.416 -9.037 1.00 1.94 H new ATOM 1778 N THR A 117 27.702 17.972 -8.823 1.00 0.44 N ATOM 1779 CA THR A 117 29.123 18.366 -9.042 1.00 0.43 C ATOM 1780 C THR A 117 29.234 19.888 -9.076 1.00 0.39 C ATOM 1781 O THR A 117 28.345 20.579 -9.536 1.00 0.38 O ATOM 1782 CB THR A 117 29.613 17.790 -10.373 1.00 0.43 C ATOM 1783 OG1 THR A 117 28.745 18.212 -11.415 1.00 0.44 O ATOM 1784 CG2 THR A 117 29.634 16.262 -10.306 1.00 0.42 C ATOM 0 H THR A 117 27.192 17.692 -9.661 1.00 0.44 H new ATOM 0 HA THR A 117 29.735 17.977 -8.228 1.00 0.43 H new ATOM 0 HB THR A 117 30.623 18.148 -10.571 1.00 0.43 H new ATOM 0 HG1 THR A 117 29.057 17.846 -12.269 1.00 0.44 H new ATOM 0 HG21 THR A 117 29.984 15.861 -11.257 1.00 0.42 H new ATOM 0 HG22 THR A 117 30.305 15.942 -9.509 1.00 0.42 H new ATOM 0 HG23 THR A 117 28.628 15.893 -10.104 1.00 0.42 H new ATOM 1792 N ASP A 118 30.322 20.416 -8.590 1.00 0.37 N ATOM 1793 CA ASP A 118 30.499 21.895 -8.591 1.00 0.33 C ATOM 1794 C ASP A 118 30.242 22.440 -9.998 1.00 0.30 C ATOM 1795 O ASP A 118 29.918 23.598 -10.173 1.00 0.25 O ATOM 1796 CB ASP A 118 31.930 22.233 -8.165 1.00 0.33 C ATOM 1797 CG ASP A 118 32.124 21.866 -6.692 1.00 0.32 C ATOM 1798 OD1 ASP A 118 32.007 20.694 -6.374 1.00 1.17 O ATOM 1799 OD2 ASP A 118 32.386 22.763 -5.909 1.00 0.85 O ATOM 0 H ASP A 118 31.098 19.887 -8.192 1.00 0.37 H new ATOM 0 HA ASP A 118 29.794 22.348 -7.894 1.00 0.33 H new ATOM 0 HB2 ASP A 118 32.643 21.688 -8.784 1.00 0.33 H new ATOM 0 HB3 ASP A 118 32.124 23.295 -8.315 1.00 0.33 H new ATOM 1804 N GLU A 119 30.379 21.614 -11.000 1.00 0.34 N ATOM 1805 CA GLU A 119 30.136 22.093 -12.396 1.00 0.34 C ATOM 1806 C GLU A 119 28.631 22.293 -12.594 1.00 0.33 C ATOM 1807 O GLU A 119 28.187 23.329 -13.045 1.00 0.32 O ATOM 1808 CB GLU A 119 30.656 21.067 -13.420 1.00 0.38 C ATOM 1809 CG GLU A 119 32.167 21.239 -13.616 1.00 0.43 C ATOM 1810 CD GLU A 119 32.672 20.189 -14.607 1.00 1.69 C ATOM 1811 OE1 GLU A 119 33.005 19.100 -14.169 1.00 1.71 O ATOM 1812 OE2 GLU A 119 32.718 20.491 -15.788 1.00 2.98 O ATOM 0 H GLU A 119 30.647 20.633 -10.916 1.00 0.34 H new ATOM 0 HA GLU A 119 30.666 23.033 -12.549 1.00 0.34 H new ATOM 0 HB2 GLU A 119 30.439 20.056 -13.076 1.00 0.38 H new ATOM 0 HB3 GLU A 119 30.141 21.198 -14.372 1.00 0.38 H new ATOM 0 HG2 GLU A 119 32.385 22.240 -13.987 1.00 0.43 H new ATOM 0 HG3 GLU A 119 32.683 21.133 -12.662 1.00 0.43 H new ATOM 1819 N GLU A 120 27.844 21.308 -12.260 1.00 0.35 N ATOM 1820 CA GLU A 120 26.372 21.447 -12.430 1.00 0.34 C ATOM 1821 C GLU A 120 25.913 22.748 -11.769 1.00 0.31 C ATOM 1822 O GLU A 120 25.001 23.404 -12.235 1.00 0.35 O ATOM 1823 CB GLU A 120 25.665 20.258 -11.767 1.00 0.33 C ATOM 1824 CG GLU A 120 25.773 19.022 -12.669 1.00 0.35 C ATOM 1825 CD GLU A 120 25.321 17.786 -11.892 1.00 0.28 C ATOM 1826 OE1 GLU A 120 25.562 17.741 -10.697 1.00 0.58 O ATOM 1827 OE2 GLU A 120 24.744 16.904 -12.505 1.00 0.51 O ATOM 0 H GLU A 120 28.156 20.415 -11.878 1.00 0.35 H new ATOM 0 HA GLU A 120 26.125 21.467 -13.491 1.00 0.34 H new ATOM 0 HB2 GLU A 120 26.114 20.051 -10.796 1.00 0.33 H new ATOM 0 HB3 GLU A 120 24.617 20.499 -11.589 1.00 0.33 H new ATOM 0 HG2 GLU A 120 25.156 19.152 -13.558 1.00 0.35 H new ATOM 0 HG3 GLU A 120 26.801 18.895 -13.010 1.00 0.35 H new ATOM 1834 N VAL A 121 26.544 23.126 -10.694 1.00 0.27 N ATOM 1835 CA VAL A 121 26.154 24.388 -10.001 1.00 0.24 C ATOM 1836 C VAL A 121 26.527 25.582 -10.882 1.00 0.31 C ATOM 1837 O VAL A 121 25.800 26.551 -10.978 1.00 0.28 O ATOM 1838 CB VAL A 121 26.889 24.480 -8.660 1.00 0.23 C ATOM 1839 CG1 VAL A 121 26.665 25.859 -8.040 1.00 0.24 C ATOM 1840 CG2 VAL A 121 26.352 23.405 -7.712 1.00 0.18 C ATOM 0 H VAL A 121 27.315 22.616 -10.263 1.00 0.27 H new ATOM 0 HA VAL A 121 25.079 24.394 -9.821 1.00 0.24 H new ATOM 0 HB VAL A 121 27.956 24.327 -8.823 1.00 0.23 H new ATOM 0 HG11 VAL A 121 27.190 25.919 -7.087 1.00 0.24 H new ATOM 0 HG12 VAL A 121 27.046 26.627 -8.713 1.00 0.24 H new ATOM 0 HG13 VAL A 121 25.599 26.016 -7.878 1.00 0.24 H new ATOM 0 HG21 VAL A 121 26.874 23.469 -6.757 1.00 0.18 H new ATOM 0 HG22 VAL A 121 25.285 23.560 -7.554 1.00 0.18 H new ATOM 0 HG23 VAL A 121 26.515 22.420 -8.149 1.00 0.18 H new ATOM 1850 N ASP A 122 27.658 25.516 -11.520 1.00 0.41 N ATOM 1851 CA ASP A 122 28.089 26.645 -12.393 1.00 0.48 C ATOM 1852 C ASP A 122 27.006 26.923 -13.438 1.00 0.50 C ATOM 1853 O ASP A 122 26.774 28.055 -13.813 1.00 0.52 O ATOM 1854 CB ASP A 122 29.400 26.279 -13.098 1.00 0.56 C ATOM 1855 CG ASP A 122 30.518 26.153 -12.061 1.00 0.57 C ATOM 1856 OD1 ASP A 122 30.336 26.641 -10.958 1.00 1.08 O ATOM 1857 OD2 ASP A 122 31.538 25.570 -12.388 1.00 1.46 O ATOM 0 H ASP A 122 28.306 24.729 -11.477 1.00 0.41 H new ATOM 0 HA ASP A 122 28.244 27.536 -11.784 1.00 0.48 H new ATOM 0 HB2 ASP A 122 29.284 25.340 -13.640 1.00 0.56 H new ATOM 0 HB3 ASP A 122 29.655 27.042 -13.833 1.00 0.56 H new ATOM 1862 N GLU A 123 26.330 25.906 -13.901 1.00 0.49 N ATOM 1863 CA GLU A 123 25.255 26.128 -14.909 1.00 0.52 C ATOM 1864 C GLU A 123 24.050 26.734 -14.186 1.00 0.48 C ATOM 1865 O GLU A 123 23.365 27.595 -14.699 1.00 0.57 O ATOM 1866 CB GLU A 123 24.866 24.786 -15.560 1.00 0.54 C ATOM 1867 CG GLU A 123 25.782 24.502 -16.758 1.00 1.22 C ATOM 1868 CD GLU A 123 25.511 23.091 -17.282 1.00 1.49 C ATOM 1869 OE1 GLU A 123 24.610 22.942 -18.091 1.00 1.55 O ATOM 1870 OE2 GLU A 123 26.211 22.180 -16.868 1.00 2.37 O ATOM 0 H GLU A 123 26.475 24.935 -13.626 1.00 0.49 H new ATOM 0 HA GLU A 123 25.599 26.802 -15.694 1.00 0.52 H new ATOM 0 HB2 GLU A 123 24.947 23.981 -14.830 1.00 0.54 H new ATOM 0 HB3 GLU A 123 23.826 24.818 -15.885 1.00 0.54 H new ATOM 0 HG2 GLU A 123 25.606 25.234 -17.546 1.00 1.22 H new ATOM 0 HG3 GLU A 123 26.827 24.597 -16.462 1.00 1.22 H new ATOM 1877 N MET A 124 23.802 26.292 -12.986 1.00 0.36 N ATOM 1878 CA MET A 124 22.663 26.841 -12.203 1.00 0.33 C ATOM 1879 C MET A 124 22.968 28.299 -11.828 1.00 0.32 C ATOM 1880 O MET A 124 22.076 29.114 -11.690 1.00 0.32 O ATOM 1881 CB MET A 124 22.460 25.983 -10.966 1.00 0.27 C ATOM 1882 CG MET A 124 22.062 24.566 -11.391 1.00 0.29 C ATOM 1883 SD MET A 124 22.027 23.485 -9.941 1.00 0.28 S ATOM 1884 CE MET A 124 21.550 21.965 -10.801 1.00 0.65 C ATOM 0 H MET A 124 24.343 25.569 -12.511 1.00 0.36 H new ATOM 0 HA MET A 124 21.745 26.824 -12.791 1.00 0.33 H new ATOM 0 HB2 MET A 124 23.376 25.954 -10.375 1.00 0.27 H new ATOM 0 HB3 MET A 124 21.686 26.416 -10.332 1.00 0.27 H new ATOM 0 HG2 MET A 124 21.083 24.581 -11.870 1.00 0.29 H new ATOM 0 HG3 MET A 124 22.771 24.183 -12.126 1.00 0.29 H new ATOM 0 HE1 MET A 124 21.468 21.150 -10.082 1.00 0.65 H new ATOM 0 HE2 MET A 124 20.589 22.112 -11.293 1.00 0.65 H new ATOM 0 HE3 MET A 124 22.305 21.716 -11.547 1.00 0.65 H new ATOM 1894 N ILE A 125 24.221 28.636 -11.686 1.00 0.32 N ATOM 1895 CA ILE A 125 24.600 30.044 -11.347 1.00 0.33 C ATOM 1896 C ILE A 125 24.453 30.933 -12.598 1.00 0.41 C ATOM 1897 O ILE A 125 24.214 32.121 -12.498 1.00 0.43 O ATOM 1898 CB ILE A 125 26.054 30.049 -10.846 1.00 0.33 C ATOM 1899 CG1 ILE A 125 26.073 29.468 -9.421 1.00 0.27 C ATOM 1900 CG2 ILE A 125 26.607 31.482 -10.847 1.00 0.37 C ATOM 1901 CD1 ILE A 125 27.502 29.356 -8.885 1.00 0.27 C ATOM 0 H ILE A 125 25.006 27.994 -11.790 1.00 0.32 H new ATOM 0 HA ILE A 125 23.947 30.438 -10.568 1.00 0.33 H new ATOM 0 HB ILE A 125 26.681 29.445 -11.502 1.00 0.33 H new ATOM 0 HG12 ILE A 125 25.483 30.102 -8.760 1.00 0.27 H new ATOM 0 HG13 ILE A 125 25.604 28.484 -9.421 1.00 0.27 H new ATOM 0 HG21 ILE A 125 27.637 31.475 -10.491 1.00 0.37 H new ATOM 0 HG22 ILE A 125 26.576 31.883 -11.860 1.00 0.37 H new ATOM 0 HG23 ILE A 125 26.001 32.106 -10.191 1.00 0.37 H new ATOM 0 HD11 ILE A 125 27.481 28.942 -7.877 1.00 0.27 H new ATOM 0 HD12 ILE A 125 28.084 28.701 -9.534 1.00 0.27 H new ATOM 0 HD13 ILE A 125 27.961 30.345 -8.862 1.00 0.27 H new ATOM 1913 N ARG A 126 24.602 30.372 -13.770 1.00 0.47 N ATOM 1914 CA ARG A 126 24.480 31.187 -15.021 1.00 0.56 C ATOM 1915 C ARG A 126 23.103 31.877 -15.081 1.00 0.55 C ATOM 1916 O ARG A 126 23.017 33.072 -15.284 1.00 0.53 O ATOM 1917 CB ARG A 126 24.665 30.266 -16.254 1.00 0.71 C ATOM 1918 CG ARG A 126 26.116 30.347 -16.772 1.00 0.70 C ATOM 1919 CD ARG A 126 26.402 31.746 -17.373 1.00 1.79 C ATOM 1920 NE ARG A 126 27.113 31.599 -18.683 1.00 2.39 N ATOM 1921 CZ ARG A 126 28.151 30.814 -18.805 1.00 1.91 C ATOM 1922 NH1 ARG A 126 28.660 30.234 -17.756 1.00 0.76 N ATOM 1923 NH2 ARG A 126 28.701 30.640 -19.977 1.00 2.76 N ATOM 0 H ARG A 126 24.803 29.383 -13.917 1.00 0.47 H new ATOM 0 HA ARG A 126 25.252 31.957 -15.022 1.00 0.56 H new ATOM 0 HB2 ARG A 126 24.424 29.237 -15.987 1.00 0.71 H new ATOM 0 HB3 ARG A 126 23.973 30.561 -17.043 1.00 0.71 H new ATOM 0 HG2 ARG A 126 26.811 30.146 -15.957 1.00 0.70 H new ATOM 0 HG3 ARG A 126 26.282 29.579 -17.528 1.00 0.70 H new ATOM 0 HD2 ARG A 126 25.468 32.289 -17.515 1.00 1.79 H new ATOM 0 HD3 ARG A 126 27.009 32.331 -16.683 1.00 1.79 H new ATOM 0 HE ARG A 126 26.781 32.121 -19.494 1.00 2.39 H new ATOM 0 HH11 ARG A 126 28.249 30.392 -16.836 1.00 0.76 H new ATOM 0 HH12 ARG A 126 29.470 29.622 -17.854 1.00 0.76 H new ATOM 0 HH21 ARG A 126 28.320 31.116 -20.795 1.00 2.76 H new ATOM 0 HH22 ARG A 126 29.511 30.028 -20.074 1.00 2.76 H new ATOM 1937 N GLU A 127 22.030 31.142 -14.938 1.00 0.58 N ATOM 1938 CA GLU A 127 20.677 31.784 -15.024 1.00 0.62 C ATOM 1939 C GLU A 127 20.324 32.488 -13.700 1.00 0.52 C ATOM 1940 O GLU A 127 19.494 33.378 -13.672 1.00 0.55 O ATOM 1941 CB GLU A 127 19.616 30.713 -15.353 1.00 0.71 C ATOM 1942 CG GLU A 127 19.593 30.454 -16.862 1.00 0.87 C ATOM 1943 CD GLU A 127 18.667 29.274 -17.167 1.00 1.27 C ATOM 1944 OE1 GLU A 127 19.045 28.156 -16.857 1.00 1.62 O ATOM 1945 OE2 GLU A 127 17.597 29.509 -17.706 1.00 1.99 O ATOM 0 H GLU A 127 22.027 30.136 -14.767 1.00 0.58 H new ATOM 0 HA GLU A 127 20.694 32.533 -15.816 1.00 0.62 H new ATOM 0 HB2 GLU A 127 19.840 29.789 -14.819 1.00 0.71 H new ATOM 0 HB3 GLU A 127 18.634 31.045 -15.016 1.00 0.71 H new ATOM 0 HG2 GLU A 127 19.249 31.344 -17.389 1.00 0.87 H new ATOM 0 HG3 GLU A 127 20.600 30.241 -17.220 1.00 0.87 H new ATOM 1952 N ALA A 128 20.970 32.144 -12.615 1.00 0.43 N ATOM 1953 CA ALA A 128 20.701 32.828 -11.330 1.00 0.36 C ATOM 1954 C ALA A 128 21.660 33.991 -11.241 1.00 0.28 C ATOM 1955 O ALA A 128 22.648 33.914 -10.551 1.00 0.23 O ATOM 1956 CB ALA A 128 20.964 31.902 -10.152 1.00 0.30 C ATOM 0 H ALA A 128 21.678 31.411 -12.572 1.00 0.43 H new ATOM 0 HA ALA A 128 19.659 33.145 -11.293 1.00 0.36 H new ATOM 0 HB1 ALA A 128 20.758 32.430 -9.221 1.00 0.30 H new ATOM 0 HB2 ALA A 128 20.316 31.028 -10.224 1.00 0.30 H new ATOM 0 HB3 ALA A 128 22.006 31.583 -10.166 1.00 0.30 H new ATOM 1962 N ASP A 129 21.386 35.033 -11.959 1.00 0.28 N ATOM 1963 CA ASP A 129 22.279 36.236 -11.979 1.00 0.21 C ATOM 1964 C ASP A 129 22.806 36.498 -10.564 1.00 0.15 C ATOM 1965 O ASP A 129 22.274 37.285 -9.805 1.00 0.15 O ATOM 1966 CB ASP A 129 21.475 37.444 -12.477 1.00 0.21 C ATOM 1967 CG ASP A 129 20.451 36.984 -13.517 1.00 0.92 C ATOM 1968 OD1 ASP A 129 19.346 36.647 -13.123 1.00 1.67 O ATOM 1969 OD2 ASP A 129 20.788 36.977 -14.689 1.00 1.56 O ATOM 0 H ASP A 129 20.560 35.113 -12.552 1.00 0.28 H new ATOM 0 HA ASP A 129 23.125 36.067 -12.646 1.00 0.21 H new ATOM 0 HB2 ASP A 129 20.968 37.926 -11.641 1.00 0.21 H new ATOM 0 HB3 ASP A 129 22.145 38.185 -12.914 1.00 0.21 H new ATOM 1974 N ILE A 130 23.826 35.775 -10.208 1.00 0.16 N ATOM 1975 CA ILE A 130 24.409 35.860 -8.843 1.00 0.14 C ATOM 1976 C ILE A 130 25.328 37.073 -8.697 1.00 0.12 C ATOM 1977 O ILE A 130 25.901 37.328 -7.657 1.00 0.28 O ATOM 1978 CB ILE A 130 25.169 34.538 -8.617 1.00 0.11 C ATOM 1979 CG1 ILE A 130 24.163 33.381 -8.231 1.00 0.15 C ATOM 1980 CG2 ILE A 130 26.287 34.724 -7.593 1.00 0.14 C ATOM 1981 CD1 ILE A 130 24.620 32.602 -6.981 1.00 0.16 C ATOM 0 H ILE A 130 24.293 35.110 -10.824 1.00 0.16 H new ATOM 0 HA ILE A 130 23.630 35.995 -8.093 1.00 0.14 H new ATOM 0 HB ILE A 130 25.651 34.238 -9.548 1.00 0.11 H new ATOM 0 HG12 ILE A 130 23.176 33.806 -8.051 1.00 0.15 H new ATOM 0 HG13 ILE A 130 24.065 32.692 -9.070 1.00 0.15 H new ATOM 0 HG21 ILE A 130 26.810 33.778 -7.449 1.00 0.14 H new ATOM 0 HG22 ILE A 130 26.989 35.476 -7.953 1.00 0.14 H new ATOM 0 HG23 ILE A 130 25.861 35.051 -6.644 1.00 0.14 H new ATOM 0 HD11 ILE A 130 23.897 31.818 -6.756 1.00 0.16 H new ATOM 0 HD12 ILE A 130 25.595 32.153 -7.169 1.00 0.16 H new ATOM 0 HD13 ILE A 130 24.692 33.284 -6.133 1.00 0.16 H new ATOM 1993 N ASP A 131 25.420 37.815 -9.719 1.00 0.14 N ATOM 1994 CA ASP A 131 26.243 39.041 -9.731 1.00 0.15 C ATOM 1995 C ASP A 131 25.282 40.203 -9.840 1.00 0.30 C ATOM 1996 O ASP A 131 24.120 40.094 -9.499 1.00 0.39 O ATOM 1997 CB ASP A 131 27.207 39.021 -10.935 1.00 0.31 C ATOM 1998 CG ASP A 131 28.277 40.097 -10.749 1.00 0.30 C ATOM 1999 OD1 ASP A 131 29.037 39.992 -9.799 1.00 0.96 O ATOM 2000 OD2 ASP A 131 28.319 41.010 -11.557 1.00 1.21 O ATOM 0 H ASP A 131 24.940 37.626 -10.599 1.00 0.14 H new ATOM 0 HA ASP A 131 26.850 39.121 -8.829 1.00 0.15 H new ATOM 0 HB2 ASP A 131 27.674 38.040 -11.024 1.00 0.31 H new ATOM 0 HB3 ASP A 131 26.656 39.197 -11.859 1.00 0.31 H new ATOM 2005 N GLY A 132 25.741 41.306 -10.295 1.00 0.39 N ATOM 2006 CA GLY A 132 24.848 42.483 -10.408 1.00 0.58 C ATOM 2007 C GLY A 132 24.500 42.980 -9.001 1.00 0.52 C ATOM 2008 O GLY A 132 24.251 44.151 -8.798 1.00 0.62 O ATOM 0 H GLY A 132 26.703 41.457 -10.599 1.00 0.39 H new ATOM 0 HA2 GLY A 132 25.337 43.274 -10.977 1.00 0.58 H new ATOM 0 HA3 GLY A 132 23.940 42.216 -10.949 1.00 0.58 H new ATOM 2012 N ASP A 133 24.487 42.096 -8.025 1.00 0.36 N ATOM 2013 CA ASP A 133 24.159 42.512 -6.623 1.00 0.30 C ATOM 2014 C ASP A 133 25.180 41.905 -5.660 1.00 0.15 C ATOM 2015 O ASP A 133 26.155 42.533 -5.295 1.00 0.23 O ATOM 2016 CB ASP A 133 22.759 42.008 -6.259 1.00 0.47 C ATOM 2017 CG ASP A 133 21.707 42.832 -7.005 1.00 1.40 C ATOM 2018 OD1 ASP A 133 21.965 43.998 -7.258 1.00 2.01 O ATOM 2019 OD2 ASP A 133 20.663 42.283 -7.310 1.00 2.15 O ATOM 0 H ASP A 133 24.690 41.103 -8.142 1.00 0.36 H new ATOM 0 HA ASP A 133 24.189 43.599 -6.549 1.00 0.30 H new ATOM 0 HB2 ASP A 133 22.662 40.954 -6.519 1.00 0.47 H new ATOM 0 HB3 ASP A 133 22.601 42.086 -5.183 1.00 0.47 H new ATOM 2024 N GLY A 134 24.967 40.685 -5.247 1.00 0.13 N ATOM 2025 CA GLY A 134 25.926 40.030 -4.306 1.00 0.27 C ATOM 2026 C GLY A 134 25.201 38.963 -3.480 1.00 0.24 C ATOM 2027 O GLY A 134 25.774 37.957 -3.114 1.00 0.25 O ATOM 0 H GLY A 134 24.169 40.111 -5.520 1.00 0.13 H new ATOM 0 HA2 GLY A 134 26.744 39.576 -4.865 1.00 0.27 H new ATOM 0 HA3 GLY A 134 26.367 40.776 -3.645 1.00 0.27 H new ATOM 2031 N GLN A 135 23.941 39.175 -3.198 1.00 0.23 N ATOM 2032 CA GLN A 135 23.149 38.180 -2.401 1.00 0.24 C ATOM 2033 C GLN A 135 22.017 37.647 -3.282 1.00 0.24 C ATOM 2034 O GLN A 135 21.547 38.329 -4.172 1.00 0.22 O ATOM 2035 CB GLN A 135 22.558 38.866 -1.163 1.00 0.26 C ATOM 2036 CG GLN A 135 23.649 39.676 -0.443 1.00 0.51 C ATOM 2037 CD GLN A 135 23.271 39.866 1.031 1.00 0.63 C ATOM 2038 OE1 GLN A 135 23.703 39.114 1.881 1.00 1.31 O ATOM 2039 NE2 GLN A 135 22.477 40.844 1.370 1.00 0.28 N ATOM 0 H GLN A 135 23.419 40.002 -3.487 1.00 0.23 H new ATOM 0 HA GLN A 135 23.791 37.361 -2.079 1.00 0.24 H new ATOM 0 HB2 GLN A 135 21.739 39.523 -1.457 1.00 0.26 H new ATOM 0 HB3 GLN A 135 22.141 38.119 -0.487 1.00 0.26 H new ATOM 0 HG2 GLN A 135 24.606 39.160 -0.518 1.00 0.51 H new ATOM 0 HG3 GLN A 135 23.771 40.646 -0.924 1.00 0.51 H new ATOM 0 HE21 GLN A 135 22.114 41.476 0.657 1.00 0.28 H new ATOM 0 HE22 GLN A 135 22.220 40.976 2.348 1.00 0.28 H new ATOM 2048 N VAL A 136 21.590 36.427 -3.068 1.00 0.28 N ATOM 2049 CA VAL A 136 20.511 35.850 -3.921 1.00 0.29 C ATOM 2050 C VAL A 136 19.574 35.000 -3.052 1.00 0.38 C ATOM 2051 O VAL A 136 19.987 34.394 -2.085 1.00 0.42 O ATOM 2052 CB VAL A 136 21.172 34.947 -4.975 1.00 0.23 C ATOM 2053 CG1 VAL A 136 20.302 34.824 -6.237 1.00 0.21 C ATOM 2054 CG2 VAL A 136 22.538 35.521 -5.357 1.00 0.19 C ATOM 0 H VAL A 136 21.943 35.807 -2.339 1.00 0.28 H new ATOM 0 HA VAL A 136 19.939 36.645 -4.398 1.00 0.29 H new ATOM 0 HB VAL A 136 21.288 33.953 -4.542 1.00 0.23 H new ATOM 0 HG11 VAL A 136 20.800 34.179 -6.961 1.00 0.21 H new ATOM 0 HG12 VAL A 136 19.336 34.395 -5.972 1.00 0.21 H new ATOM 0 HG13 VAL A 136 20.153 35.811 -6.674 1.00 0.21 H new ATOM 0 HG21 VAL A 136 23.006 34.880 -6.104 1.00 0.19 H new ATOM 0 HG22 VAL A 136 22.410 36.523 -5.767 1.00 0.19 H new ATOM 0 HG23 VAL A 136 23.173 35.570 -4.472 1.00 0.19 H new ATOM 2064 N ASN A 137 18.325 34.924 -3.414 1.00 0.42 N ATOM 2065 CA ASN A 137 17.376 34.080 -2.637 1.00 0.50 C ATOM 2066 C ASN A 137 17.572 32.633 -3.097 1.00 0.49 C ATOM 2067 O ASN A 137 18.322 32.368 -4.015 1.00 0.85 O ATOM 2068 CB ASN A 137 15.928 34.555 -2.870 1.00 0.57 C ATOM 2069 CG ASN A 137 14.926 33.428 -2.599 1.00 1.42 C ATOM 2070 OD1 ASN A 137 14.267 32.952 -3.502 1.00 1.35 O ATOM 2071 ND2 ASN A 137 14.782 32.981 -1.380 1.00 2.53 N ATOM 0 H ASN A 137 17.920 35.410 -4.214 1.00 0.42 H new ATOM 0 HA ASN A 137 17.567 34.157 -1.567 1.00 0.50 H new ATOM 0 HB2 ASN A 137 15.711 35.402 -2.220 1.00 0.57 H new ATOM 0 HB3 ASN A 137 15.818 34.905 -3.897 1.00 0.57 H new ATOM 0 HD21 ASN A 137 14.117 32.233 -1.187 1.00 2.53 H new ATOM 0 HD22 ASN A 137 15.335 33.380 -0.622 1.00 2.53 H new ATOM 2078 N TYR A 138 16.938 31.701 -2.442 1.00 0.40 N ATOM 2079 CA TYR A 138 17.121 30.250 -2.803 1.00 0.38 C ATOM 2080 C TYR A 138 15.882 29.652 -3.508 1.00 0.37 C ATOM 2081 O TYR A 138 16.029 28.769 -4.322 1.00 0.25 O ATOM 2082 CB TYR A 138 17.421 29.463 -1.513 1.00 0.40 C ATOM 2083 CG TYR A 138 16.661 30.077 -0.362 1.00 0.31 C ATOM 2084 CD1 TYR A 138 17.161 31.218 0.282 1.00 0.89 C ATOM 2085 CD2 TYR A 138 15.446 29.518 0.047 1.00 1.10 C ATOM 2086 CE1 TYR A 138 16.440 31.795 1.334 1.00 1.00 C ATOM 2087 CE2 TYR A 138 14.731 30.088 1.101 1.00 0.98 C ATOM 2088 CZ TYR A 138 15.226 31.230 1.747 1.00 0.26 C ATOM 2089 OH TYR A 138 14.516 31.799 2.783 1.00 0.31 O ATOM 0 H TYR A 138 16.297 31.873 -1.668 1.00 0.40 H new ATOM 0 HA TYR A 138 17.948 30.176 -3.509 1.00 0.38 H new ATOM 0 HB2 TYR A 138 17.134 28.419 -1.636 1.00 0.40 H new ATOM 0 HB3 TYR A 138 18.491 29.478 -1.306 1.00 0.40 H new ATOM 0 HD1 TYR A 138 18.099 31.650 -0.033 1.00 0.89 H new ATOM 0 HD2 TYR A 138 15.060 28.643 -0.454 1.00 1.10 H new ATOM 0 HE1 TYR A 138 16.820 32.677 1.828 1.00 1.00 H new ATOM 0 HE2 TYR A 138 13.797 29.650 1.419 1.00 0.98 H new ATOM 0 HH TYR A 138 13.698 31.283 2.941 1.00 0.31 H new ATOM 2099 N GLU A 139 14.674 30.088 -3.201 1.00 0.53 N ATOM 2100 CA GLU A 139 13.463 29.495 -3.851 1.00 0.53 C ATOM 2101 C GLU A 139 13.718 29.218 -5.337 1.00 0.44 C ATOM 2102 O GLU A 139 13.299 28.204 -5.862 1.00 0.40 O ATOM 2103 CB GLU A 139 12.280 30.467 -3.693 1.00 0.63 C ATOM 2104 CG GLU A 139 10.967 29.685 -3.721 1.00 1.43 C ATOM 2105 CD GLU A 139 9.791 30.648 -3.899 1.00 1.49 C ATOM 2106 OE1 GLU A 139 10.012 31.747 -4.382 1.00 1.36 O ATOM 2107 OE2 GLU A 139 8.684 30.269 -3.550 1.00 2.16 O ATOM 0 H GLU A 139 14.481 30.829 -2.527 1.00 0.53 H new ATOM 0 HA GLU A 139 13.231 28.546 -3.367 1.00 0.53 H new ATOM 0 HB2 GLU A 139 12.369 31.015 -2.755 1.00 0.63 H new ATOM 0 HB3 GLU A 139 12.293 31.205 -4.495 1.00 0.63 H new ATOM 0 HG2 GLU A 139 10.982 28.961 -4.536 1.00 1.43 H new ATOM 0 HG3 GLU A 139 10.850 29.121 -2.796 1.00 1.43 H new ATOM 2114 N GLU A 140 14.408 30.083 -6.017 1.00 0.44 N ATOM 2115 CA GLU A 140 14.686 29.824 -7.456 1.00 0.38 C ATOM 2116 C GLU A 140 15.765 28.742 -7.561 1.00 0.28 C ATOM 2117 O GLU A 140 15.670 27.823 -8.352 1.00 0.28 O ATOM 2118 CB GLU A 140 15.170 31.112 -8.123 1.00 0.42 C ATOM 2119 CG GLU A 140 14.048 32.154 -8.083 1.00 1.20 C ATOM 2120 CD GLU A 140 14.539 33.464 -8.702 1.00 1.43 C ATOM 2121 OE1 GLU A 140 15.193 33.403 -9.731 1.00 1.06 O ATOM 2122 OE2 GLU A 140 14.255 34.507 -8.136 1.00 2.54 O ATOM 0 H GLU A 140 14.790 30.952 -5.645 1.00 0.44 H new ATOM 0 HA GLU A 140 13.779 29.487 -7.958 1.00 0.38 H new ATOM 0 HB2 GLU A 140 16.053 31.492 -7.609 1.00 0.42 H new ATOM 0 HB3 GLU A 140 15.462 30.914 -9.154 1.00 0.42 H new ATOM 0 HG2 GLU A 140 13.178 31.787 -8.627 1.00 1.20 H new ATOM 0 HG3 GLU A 140 13.732 32.323 -7.054 1.00 1.20 H new ATOM 2129 N PHE A 141 16.793 28.847 -6.762 1.00 0.20 N ATOM 2130 CA PHE A 141 17.884 27.834 -6.807 1.00 0.11 C ATOM 2131 C PHE A 141 17.362 26.473 -6.312 1.00 0.14 C ATOM 2132 O PHE A 141 17.900 25.438 -6.652 1.00 0.14 O ATOM 2133 CB PHE A 141 19.064 28.312 -5.915 1.00 0.11 C ATOM 2134 CG PHE A 141 20.298 28.529 -6.758 1.00 0.10 C ATOM 2135 CD1 PHE A 141 20.986 27.428 -7.270 1.00 0.17 C ATOM 2136 CD2 PHE A 141 20.747 29.828 -7.032 1.00 0.13 C ATOM 2137 CE1 PHE A 141 22.124 27.621 -8.054 1.00 0.17 C ATOM 2138 CE2 PHE A 141 21.892 30.015 -7.821 1.00 0.14 C ATOM 2139 CZ PHE A 141 22.571 28.911 -8.326 1.00 0.10 C ATOM 0 H PHE A 141 16.923 29.593 -6.079 1.00 0.20 H new ATOM 0 HA PHE A 141 18.231 27.719 -7.834 1.00 0.11 H new ATOM 0 HB2 PHE A 141 18.794 29.238 -5.407 1.00 0.11 H new ATOM 0 HB3 PHE A 141 19.268 27.572 -5.141 1.00 0.11 H new ATOM 0 HD1 PHE A 141 20.638 26.428 -7.060 1.00 0.17 H new ATOM 0 HD2 PHE A 141 20.214 30.681 -6.638 1.00 0.13 H new ATOM 0 HE1 PHE A 141 22.658 26.770 -8.450 1.00 0.17 H new ATOM 0 HE2 PHE A 141 22.245 31.013 -8.036 1.00 0.14 H new ATOM 0 HZ PHE A 141 23.452 29.056 -8.934 1.00 0.10 H new ATOM 2149 N VAL A 142 16.330 26.457 -5.510 1.00 0.22 N ATOM 2150 CA VAL A 142 15.815 25.153 -5.011 1.00 0.29 C ATOM 2151 C VAL A 142 15.258 24.345 -6.185 1.00 0.34 C ATOM 2152 O VAL A 142 15.560 23.179 -6.352 1.00 0.41 O ATOM 2153 CB VAL A 142 14.691 25.390 -3.996 1.00 0.39 C ATOM 2154 CG1 VAL A 142 14.107 24.037 -3.567 1.00 0.49 C ATOM 2155 CG2 VAL A 142 15.242 26.150 -2.766 1.00 0.34 C ATOM 0 H VAL A 142 15.827 27.282 -5.183 1.00 0.22 H new ATOM 0 HA VAL A 142 16.629 24.608 -4.534 1.00 0.29 H new ATOM 0 HB VAL A 142 13.906 25.993 -4.452 1.00 0.39 H new ATOM 0 HG11 VAL A 142 13.307 24.199 -2.845 1.00 0.49 H new ATOM 0 HG12 VAL A 142 13.709 23.519 -4.440 1.00 0.49 H new ATOM 0 HG13 VAL A 142 14.890 23.431 -3.111 1.00 0.49 H new ATOM 0 HG21 VAL A 142 14.437 26.315 -2.049 1.00 0.34 H new ATOM 0 HG22 VAL A 142 16.030 25.561 -2.297 1.00 0.34 H new ATOM 0 HG23 VAL A 142 15.647 27.111 -3.083 1.00 0.34 H new ATOM 2165 N GLN A 143 14.439 24.961 -6.993 1.00 0.34 N ATOM 2166 CA GLN A 143 13.843 24.241 -8.155 1.00 0.40 C ATOM 2167 C GLN A 143 14.945 23.826 -9.135 1.00 0.37 C ATOM 2168 O GLN A 143 14.808 22.867 -9.867 1.00 0.45 O ATOM 2169 CB GLN A 143 12.858 25.166 -8.872 1.00 0.42 C ATOM 2170 CG GLN A 143 11.611 25.362 -8.010 1.00 0.56 C ATOM 2171 CD GLN A 143 10.574 26.174 -8.790 1.00 0.56 C ATOM 2172 OE1 GLN A 143 10.648 26.273 -9.999 1.00 1.20 O ATOM 2173 NE2 GLN A 143 9.606 26.762 -8.145 1.00 0.47 N ATOM 0 H GLN A 143 14.156 25.936 -6.898 1.00 0.34 H new ATOM 0 HA GLN A 143 13.325 23.351 -7.796 1.00 0.40 H new ATOM 0 HB2 GLN A 143 13.328 26.129 -9.072 1.00 0.42 H new ATOM 0 HB3 GLN A 143 12.581 24.740 -9.837 1.00 0.42 H new ATOM 0 HG2 GLN A 143 11.195 24.395 -7.729 1.00 0.56 H new ATOM 0 HG3 GLN A 143 11.872 25.878 -7.086 1.00 0.56 H new ATOM 0 HE21 GLN A 143 9.545 26.678 -7.130 1.00 0.47 H new ATOM 0 HE22 GLN A 143 8.910 27.306 -8.655 1.00 0.47 H new ATOM 2182 N MET A 144 16.031 24.549 -9.164 1.00 0.27 N ATOM 2183 CA MET A 144 17.133 24.201 -10.111 1.00 0.29 C ATOM 2184 C MET A 144 17.778 22.873 -9.696 1.00 0.32 C ATOM 2185 O MET A 144 18.112 22.052 -10.529 1.00 0.37 O ATOM 2186 CB MET A 144 18.191 25.324 -10.106 1.00 0.29 C ATOM 2187 CG MET A 144 17.803 26.422 -11.106 1.00 0.33 C ATOM 2188 SD MET A 144 19.050 27.733 -11.075 1.00 0.48 S ATOM 2189 CE MET A 144 18.065 29.004 -11.907 1.00 0.31 C ATOM 0 H MET A 144 16.205 25.364 -8.575 1.00 0.27 H new ATOM 0 HA MET A 144 16.725 24.096 -11.116 1.00 0.29 H new ATOM 0 HB2 MET A 144 18.278 25.747 -9.105 1.00 0.29 H new ATOM 0 HB3 MET A 144 19.168 24.915 -10.365 1.00 0.29 H new ATOM 0 HG2 MET A 144 17.724 26.004 -12.109 1.00 0.33 H new ATOM 0 HG3 MET A 144 16.824 26.830 -10.853 1.00 0.33 H new ATOM 0 HE1 MET A 144 18.652 29.918 -11.997 1.00 0.31 H new ATOM 0 HE2 MET A 144 17.784 28.654 -12.900 1.00 0.31 H new ATOM 0 HE3 MET A 144 17.165 29.206 -11.326 1.00 0.31 H new ATOM 2199 N MET A 145 17.962 22.653 -8.427 1.00 0.30 N ATOM 2200 CA MET A 145 18.594 21.376 -7.982 1.00 0.34 C ATOM 2201 C MET A 145 17.654 20.205 -8.285 1.00 0.42 C ATOM 2202 O MET A 145 18.075 19.070 -8.394 1.00 0.47 O ATOM 2203 CB MET A 145 18.884 21.430 -6.471 1.00 0.34 C ATOM 2204 CG MET A 145 19.961 22.504 -6.160 1.00 0.26 C ATOM 2205 SD MET A 145 21.232 21.816 -5.059 1.00 0.23 S ATOM 2206 CE MET A 145 20.269 21.807 -3.522 1.00 0.23 C ATOM 0 H MET A 145 17.705 23.297 -7.679 1.00 0.30 H new ATOM 0 HA MET A 145 19.532 21.237 -8.519 1.00 0.34 H new ATOM 0 HB2 MET A 145 17.967 21.658 -5.927 1.00 0.34 H new ATOM 0 HB3 MET A 145 19.225 20.454 -6.125 1.00 0.34 H new ATOM 0 HG2 MET A 145 20.420 22.849 -7.087 1.00 0.26 H new ATOM 0 HG3 MET A 145 19.496 23.372 -5.693 1.00 0.26 H new ATOM 0 HE1 MET A 145 20.928 22.011 -2.678 1.00 0.23 H new ATOM 0 HE2 MET A 145 19.496 22.574 -3.572 1.00 0.23 H new ATOM 0 HE3 MET A 145 19.803 20.831 -3.390 1.00 0.23 H new ATOM 2216 N THR A 146 16.381 20.469 -8.414 1.00 0.44 N ATOM 2217 CA THR A 146 15.407 19.402 -8.696 1.00 0.51 C ATOM 2218 C THR A 146 15.194 19.297 -10.202 1.00 0.45 C ATOM 2219 O THR A 146 14.216 18.754 -10.673 1.00 1.12 O ATOM 2220 CB THR A 146 14.125 19.819 -8.010 1.00 0.51 C ATOM 2221 OG1 THR A 146 13.949 21.212 -8.180 1.00 0.51 O ATOM 2222 CG2 THR A 146 14.231 19.495 -6.528 1.00 0.82 C ATOM 0 H THR A 146 15.978 21.402 -8.332 1.00 0.44 H new ATOM 0 HA THR A 146 15.747 18.430 -8.338 1.00 0.51 H new ATOM 0 HB THR A 146 13.276 19.287 -8.439 1.00 0.51 H new ATOM 0 HG1 THR A 146 14.197 21.464 -9.094 1.00 0.51 H new ATOM 0 HG21 THR A 146 13.311 19.792 -6.024 1.00 0.82 H new ATOM 0 HG22 THR A 146 14.385 18.424 -6.400 1.00 0.82 H new ATOM 0 HG23 THR A 146 15.072 20.037 -6.096 1.00 0.82 H new ATOM 2230 N ALA A 147 16.119 19.811 -10.948 1.00 1.16 N ATOM 2231 CA ALA A 147 16.021 19.762 -12.427 1.00 1.13 C ATOM 2232 C ALA A 147 17.244 20.440 -13.023 1.00 2.17 C ATOM 2233 O ALA A 147 17.463 21.628 -12.869 1.00 3.02 O ATOM 2234 CB ALA A 147 14.769 20.476 -12.915 1.00 1.44 C ATOM 0 H ALA A 147 16.956 20.272 -10.591 1.00 1.16 H new ATOM 0 HA ALA A 147 15.968 18.719 -12.740 1.00 1.13 H new ATOM 0 HB1 ALA A 147 14.722 20.425 -14.003 1.00 1.44 H new ATOM 0 HB2 ALA A 147 13.887 19.996 -12.491 1.00 1.44 H new ATOM 0 HB3 ALA A 147 14.800 21.520 -12.602 1.00 1.44 H new ATOM 2240 N LYS A 148 18.030 19.686 -13.706 1.00 2.37 N ATOM 2241 CA LYS A 148 19.259 20.233 -14.345 1.00 3.37 C ATOM 2242 C LYS A 148 18.923 21.535 -15.074 1.00 3.47 C ATOM 2243 O LYS A 148 18.307 21.459 -16.125 1.00 3.22 O ATOM 2244 CB LYS A 148 19.797 19.208 -15.348 1.00 3.79 C ATOM 2245 CG LYS A 148 20.111 17.883 -14.629 1.00 4.59 C ATOM 2246 CD LYS A 148 20.047 16.723 -15.626 1.00 5.62 C ATOM 2247 CE LYS A 148 20.562 15.447 -14.956 1.00 6.69 C ATOM 2248 NZ LYS A 148 19.675 15.093 -13.814 1.00 6.82 N ATOM 2249 OXT LYS A 148 19.284 22.585 -14.571 1.00 4.24 O ATOM 0 H LYS A 148 17.879 18.689 -13.859 1.00 2.37 H new ATOM 0 HA LYS A 148 20.012 20.434 -13.583 1.00 3.37 H new ATOM 0 HB2 LYS A 148 19.064 19.039 -16.136 1.00 3.79 H new ATOM 0 HB3 LYS A 148 20.697 19.593 -15.827 1.00 3.79 H new ATOM 0 HG2 LYS A 148 21.101 17.931 -14.176 1.00 4.59 H new ATOM 0 HG3 LYS A 148 19.398 17.720 -13.821 1.00 4.59 H new ATOM 0 HD2 LYS A 148 19.022 16.579 -15.968 1.00 5.62 H new ATOM 0 HD3 LYS A 148 20.647 16.952 -16.506 1.00 5.62 H new ATOM 0 HE2 LYS A 148 20.588 14.630 -15.677 1.00 6.69 H new ATOM 0 HE3 LYS A 148 21.583 15.595 -14.605 1.00 6.69 H new ATOM 0 HZ1 LYS A 148 19.874 14.119 -13.509 1.00 6.82 H new ATOM 0 HZ2 LYS A 148 19.850 15.746 -13.023 1.00 6.82 H new ATOM 0 HZ3 LYS A 148 18.681 15.167 -14.111 1.00 6.82 H new TER 2263 LYS A 148