USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 768 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 52 ASN : amide:sc= 0.452 K(o=-9.7,f=-20!) USER MOD Set 1.2: A 54 GLN :FLIP amide:sc= -10.2! C(o=-11!,f=-9.7!) USER MOD Set 2.1: A 16 GLN :FLIP amide:sc= 0 F(o=-2,f=-1.1) USER MOD Set 2.2: A 19 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.4) USER MOD Set 3.1: A 18 CYS SG : rot 170:sc= -0.255 USER MOD Set 3.2: A 23 THR OG1 : rot 150:sc= 0.0375 USER MOD Single : A 3 THR OG1 : rot -28:sc= 0.0695 USER MOD Single : A 7 SER OG : rot 180:sc= 0.472 USER MOD Single : A 27 GLN :FLIP amide:sc= -7.42! C(o=-7.9!,f=-7.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.746 F(o=-5.8!,f=-0.75) USER MOD Single : A 32 THR OG1 : rot 86:sc= 0.00615 USER MOD Single : A 33 SER OG : rot 91:sc= -2.69! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -0.007 (180deg=-0.172) USER MOD Single : A 38 MET CE :methyl -140:sc= -6.49! (180deg=-9.67!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -12.4! C(o=-12!,f=-18!) USER MOD Single : A 44 LYS NZ :NH3+ -130:sc= -0.272 (180deg=-1.08) USER MOD Single : A 55 SER OG : rot 93:sc= -0.0285 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= -1.17! (180deg=-1.24!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0106) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 72 SER OG : rot 94:sc= 1.02 USER MOD Single : A 78 THR OG1 : rot -168:sc= 0.583 USER MOD Single : A 80 SER OG : rot 136:sc= -1.65! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 156:sc= -1.36! USER MOD Single : A 86 MET CE :methyl 175:sc= -1.06 (180deg=-1.24) USER MOD Single : A 91 ASN :FLIP amide:sc= -4! C(o=-5.5!,f=-4!) USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= -0.405 (180deg=-0.833) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.02) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 3 5.964 -7.299 -7.767 1.00 0.00 N ATOM 34 CA THR A 3 7.052 -8.249 -7.865 1.00 0.00 C ATOM 35 C THR A 3 8.304 -7.613 -8.461 1.00 0.00 C ATOM 36 O THR A 3 9.356 -8.251 -8.507 1.00 0.00 O ATOM 37 CB THR A 3 6.657 -9.470 -8.711 1.00 0.00 C ATOM 38 OG1 THR A 3 6.254 -9.052 -10.021 1.00 0.00 O ATOM 39 CG2 THR A 3 5.526 -10.229 -8.042 1.00 0.00 C ATOM 0 HA THR A 3 7.271 -8.574 -6.848 1.00 0.00 H new ATOM 0 HB THR A 3 7.522 -10.128 -8.798 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.897 -8.140 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.256 -11.091 -8.652 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.848 -10.567 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.661 -9.574 -7.936 1.00 0.00 H new ATOM 47 N ASP A 4 8.209 -6.356 -8.919 1.00 0.00 N ATOM 48 CA ASP A 4 9.359 -5.679 -9.516 1.00 0.00 C ATOM 49 C ASP A 4 10.601 -5.858 -8.655 1.00 0.00 C ATOM 50 O ASP A 4 11.332 -6.835 -8.825 1.00 0.00 O ATOM 51 CB ASP A 4 9.057 -4.193 -9.722 1.00 0.00 C ATOM 52 CG ASP A 4 7.948 -3.964 -10.731 1.00 0.00 C ATOM 53 OD1 ASP A 4 8.253 -3.868 -11.938 1.00 0.00 O ATOM 54 OD2 ASP A 4 6.773 -3.881 -10.313 1.00 0.00 O ATOM 0 H ASP A 4 7.356 -5.797 -8.886 1.00 0.00 H new ATOM 0 HA ASP A 4 9.553 -6.131 -10.489 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.775 -3.747 -8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.961 -3.684 -10.057 1.00 0.00 H new ATOM 59 N ILE A 5 10.855 -4.933 -7.731 1.00 0.00 N ATOM 60 CA ILE A 5 12.015 -5.087 -6.874 1.00 0.00 C ATOM 61 C ILE A 5 11.578 -5.515 -5.480 1.00 0.00 C ATOM 62 O ILE A 5 11.353 -4.692 -4.594 1.00 0.00 O ATOM 63 CB ILE A 5 12.792 -3.761 -6.778 1.00 0.00 C ATOM 64 CG1 ILE A 5 13.178 -3.278 -8.176 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.023 -3.917 -5.899 1.00 0.00 C ATOM 66 CD1 ILE A 5 13.610 -1.830 -8.216 1.00 0.00 C ATOM 0 H ILE A 5 10.292 -4.099 -7.564 1.00 0.00 H new ATOM 0 HA ILE A 5 12.663 -5.850 -7.305 1.00 0.00 H new ATOM 0 HB ILE A 5 12.148 -3.012 -6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.988 -3.901 -8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.329 -3.414 -8.846 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.555 -2.967 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.719 -4.218 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.679 -4.678 -6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.869 -1.556 -9.239 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.794 -1.197 -7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.478 -1.691 -7.572 1.00 0.00 H new ATOM 78 N LEU A 6 11.515 -6.824 -5.310 1.00 0.00 N ATOM 79 CA LEU A 6 11.139 -7.456 -4.051 1.00 0.00 C ATOM 80 C LEU A 6 11.357 -8.955 -4.158 1.00 0.00 C ATOM 81 O LEU A 6 11.295 -9.512 -5.254 1.00 0.00 O ATOM 82 CB LEU A 6 9.668 -7.206 -3.704 1.00 0.00 C ATOM 83 CG LEU A 6 9.321 -5.842 -3.104 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.744 -4.910 -4.154 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.326 -6.010 -1.968 1.00 0.00 C ATOM 0 H LEU A 6 11.726 -7.491 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 6 11.759 -7.023 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.078 -7.338 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.349 -7.977 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 6 10.241 -5.400 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.507 -3.949 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.473 -4.763 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.836 -5.347 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.085 -5.034 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.416 -6.476 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.761 -6.641 -1.193 1.00 0.00 H new ATOM 97 N SER A 7 11.606 -9.617 -3.043 1.00 0.00 N ATOM 98 CA SER A 7 11.771 -11.055 -3.099 1.00 0.00 C ATOM 99 C SER A 7 10.437 -11.725 -3.261 1.00 0.00 C ATOM 100 O SER A 7 9.812 -12.119 -2.302 1.00 0.00 O ATOM 101 CB SER A 7 12.487 -11.632 -1.890 1.00 0.00 C ATOM 102 OG SER A 7 12.081 -12.966 -1.624 1.00 0.00 O ATOM 0 H SER A 7 11.696 -9.198 -2.117 1.00 0.00 H new ATOM 0 HA SER A 7 12.403 -11.253 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.564 -11.606 -2.059 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.286 -11.010 -1.018 1.00 0.00 H new ATOM 0 HG SER A 7 12.563 -13.305 -0.841 1.00 0.00 H new ATOM 108 N ALA A 8 10.001 -11.836 -4.494 1.00 0.00 N ATOM 109 CA ALA A 8 8.727 -12.533 -4.763 1.00 0.00 C ATOM 110 C ALA A 8 8.545 -13.795 -3.885 1.00 0.00 C ATOM 111 O ALA A 8 7.420 -14.259 -3.698 1.00 0.00 O ATOM 112 CB ALA A 8 8.654 -12.918 -6.230 1.00 0.00 C ATOM 0 H ALA A 8 10.480 -11.471 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 8 7.921 -11.843 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.713 -13.432 -6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.711 -12.020 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.486 -13.579 -6.475 1.00 0.00 H new ATOM 118 N GLU A 9 9.644 -14.344 -3.352 1.00 0.00 N ATOM 119 CA GLU A 9 9.574 -15.473 -2.443 1.00 0.00 C ATOM 120 C GLU A 9 9.126 -15.015 -1.036 1.00 0.00 C ATOM 121 O GLU A 9 8.342 -15.700 -0.379 1.00 0.00 O ATOM 122 CB GLU A 9 10.930 -16.166 -2.368 1.00 0.00 C ATOM 123 CG GLU A 9 11.428 -16.627 -3.717 1.00 0.00 C ATOM 124 CD GLU A 9 10.599 -17.759 -4.293 1.00 0.00 C ATOM 125 OE1 GLU A 9 9.572 -17.471 -4.944 1.00 0.00 O ATOM 126 OE2 GLU A 9 10.977 -18.932 -4.092 1.00 0.00 O ATOM 0 H GLU A 9 10.591 -14.016 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 9 8.836 -16.179 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.658 -15.483 -1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.858 -17.024 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.418 -15.786 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.464 -16.952 -3.625 1.00 0.00 H new ATOM 133 N ASP A 10 9.632 -13.844 -0.579 1.00 0.00 N ATOM 134 CA ASP A 10 9.327 -13.280 0.747 1.00 0.00 C ATOM 135 C ASP A 10 7.964 -12.594 0.782 1.00 0.00 C ATOM 136 O ASP A 10 7.373 -12.405 1.844 1.00 0.00 O ATOM 137 CB ASP A 10 10.424 -12.259 1.115 1.00 0.00 C ATOM 138 CG ASP A 10 10.389 -10.975 0.319 1.00 0.00 C ATOM 139 OD1 ASP A 10 9.503 -10.811 -0.529 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.261 -10.121 0.558 1.00 0.00 O ATOM 0 H ASP A 10 10.267 -13.265 -1.128 1.00 0.00 H new ATOM 0 HA ASP A 10 9.299 -14.099 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.334 -12.016 2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.398 -12.728 0.978 1.00 0.00 H new ATOM 145 N ILE A 11 7.483 -12.236 -0.396 1.00 0.00 N ATOM 146 CA ILE A 11 6.230 -11.509 -0.545 1.00 0.00 C ATOM 147 C ILE A 11 5.060 -12.405 -0.209 1.00 0.00 C ATOM 148 O ILE A 11 4.099 -11.960 0.402 1.00 0.00 O ATOM 149 CB ILE A 11 6.067 -10.975 -1.986 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.859 -9.690 -2.188 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.604 -10.724 -2.367 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.929 -9.289 -3.645 1.00 0.00 C ATOM 0 H ILE A 11 7.950 -12.441 -1.279 1.00 0.00 H new ATOM 0 HA ILE A 11 6.252 -10.664 0.143 1.00 0.00 H new ATOM 0 HB ILE A 11 6.456 -11.757 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.399 -8.887 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.869 -9.822 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.553 -10.350 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.044 -11.656 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.173 -9.987 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.503 -8.367 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.414 -10.080 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.921 -9.130 -4.027 1.00 0.00 H new ATOM 164 N ALA A 12 5.115 -13.661 -0.626 1.00 0.00 N ATOM 165 CA ALA A 12 4.019 -14.547 -0.335 1.00 0.00 C ATOM 166 C ALA A 12 3.863 -14.651 1.156 1.00 0.00 C ATOM 167 O ALA A 12 2.783 -14.439 1.683 1.00 0.00 O ATOM 168 CB ALA A 12 4.250 -15.915 -0.937 1.00 0.00 C ATOM 0 H ALA A 12 5.886 -14.073 -1.151 1.00 0.00 H new ATOM 0 HA ALA A 12 3.107 -14.144 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.406 -16.563 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.347 -15.825 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.163 -16.344 -0.525 1.00 0.00 H new ATOM 174 N ALA A 13 4.949 -14.957 1.847 1.00 0.00 N ATOM 175 CA ALA A 13 4.872 -15.043 3.297 1.00 0.00 C ATOM 176 C ALA A 13 4.547 -13.678 3.877 1.00 0.00 C ATOM 177 O ALA A 13 3.571 -13.503 4.603 1.00 0.00 O ATOM 178 CB ALA A 13 6.177 -15.566 3.871 1.00 0.00 C ATOM 0 H ALA A 13 5.867 -15.145 1.444 1.00 0.00 H new ATOM 0 HA ALA A 13 4.079 -15.740 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.100 -15.623 4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.380 -16.559 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.990 -14.892 3.600 1.00 0.00 H new ATOM 184 N ALA A 14 5.382 -12.715 3.518 1.00 0.00 N ATOM 185 CA ALA A 14 5.202 -11.344 3.976 1.00 0.00 C ATOM 186 C ALA A 14 3.763 -10.884 3.764 1.00 0.00 C ATOM 187 O ALA A 14 3.161 -10.272 4.646 1.00 0.00 O ATOM 188 CB ALA A 14 6.163 -10.415 3.255 1.00 0.00 C ATOM 0 H ALA A 14 6.190 -12.856 2.912 1.00 0.00 H new ATOM 0 HA ALA A 14 5.417 -11.312 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.016 -9.394 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.188 -10.725 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.975 -10.458 2.182 1.00 0.00 H new ATOM 194 N LEU A 15 3.219 -11.178 2.590 1.00 0.00 N ATOM 195 CA LEU A 15 1.853 -10.797 2.264 1.00 0.00 C ATOM 196 C LEU A 15 0.853 -11.712 2.945 1.00 0.00 C ATOM 197 O LEU A 15 0.039 -11.276 3.752 1.00 0.00 O ATOM 198 CB LEU A 15 1.621 -10.844 0.752 1.00 0.00 C ATOM 199 CG LEU A 15 0.443 -10.004 0.244 1.00 0.00 C ATOM 200 CD1 LEU A 15 0.207 -10.257 -1.237 1.00 0.00 C ATOM 201 CD2 LEU A 15 -0.820 -10.293 1.043 1.00 0.00 C ATOM 0 H LEU A 15 3.705 -11.680 1.847 1.00 0.00 H new ATOM 0 HA LEU A 15 1.707 -9.778 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.529 -10.508 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.460 -11.881 0.458 1.00 0.00 H new ATOM 0 HG LEU A 15 0.695 -8.952 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.633 -9.653 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.101 -9.988 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.017 -11.312 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.639 -9.684 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.077 -11.348 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.649 -10.055 2.093 1.00 0.00 H new ATOM 213 N GLN A 16 0.955 -12.998 2.631 1.00 0.00 N ATOM 214 CA GLN A 16 0.050 -14.022 3.128 1.00 0.00 C ATOM 215 C GLN A 16 0.144 -14.256 4.635 1.00 0.00 C ATOM 216 O GLN A 16 -0.622 -15.053 5.178 1.00 0.00 O ATOM 217 CB GLN A 16 0.369 -15.329 2.400 1.00 0.00 C ATOM 218 CG GLN A 16 0.350 -15.183 0.892 1.00 0.00 C ATOM 219 CD GLN A 16 -1.051 -15.162 0.326 1.00 0.00 C ATOM 220 OE1 GLN A 16 -1.615 -13.968 0.217 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -1.617 -16.201 -0.010 1.00 0.00 N flip ATOM 0 H GLN A 16 1.681 -13.362 2.014 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.966 -13.677 2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.351 -15.683 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.354 -16.090 2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.864 -14.263 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.906 -16.007 0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.141 -17.097 0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.562 -16.166 -0.392 1.00 0.00 H new ATOM 230 N GLU A 17 1.061 -13.585 5.326 1.00 0.00 N ATOM 231 CA GLU A 17 1.222 -13.836 6.749 1.00 0.00 C ATOM 232 C GLU A 17 -0.003 -13.445 7.565 1.00 0.00 C ATOM 233 O GLU A 17 -0.751 -14.309 8.022 1.00 0.00 O ATOM 234 CB GLU A 17 2.432 -13.086 7.278 1.00 0.00 C ATOM 235 CG GLU A 17 2.659 -13.323 8.754 1.00 0.00 C ATOM 236 CD GLU A 17 2.652 -14.794 9.118 1.00 0.00 C ATOM 237 OE1 GLU A 17 3.725 -15.429 9.044 1.00 0.00 O ATOM 238 OE2 GLU A 17 1.573 -15.312 9.475 1.00 0.00 O ATOM 0 H GLU A 17 1.688 -12.882 4.934 1.00 0.00 H new ATOM 0 HA GLU A 17 1.360 -14.912 6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.318 -13.394 6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.300 -12.019 7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.614 -12.885 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.885 -12.808 9.324 1.00 0.00 H new ATOM 245 N CYS A 18 -0.212 -12.149 7.746 1.00 0.00 N ATOM 246 CA CYS A 18 -1.336 -11.641 8.524 1.00 0.00 C ATOM 247 C CYS A 18 -2.408 -11.000 7.656 1.00 0.00 C ATOM 248 O CYS A 18 -3.400 -10.504 8.181 1.00 0.00 O ATOM 249 CB CYS A 18 -0.841 -10.631 9.554 1.00 0.00 C ATOM 250 SG CYS A 18 -1.827 -10.577 11.068 1.00 0.00 S ATOM 0 H CYS A 18 0.389 -11.421 7.360 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.791 -12.497 9.023 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.191 -10.869 9.813 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.835 -9.640 9.101 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.215 -9.855 11.959 1.00 0.00 H new ATOM 256 N GLN A 19 -2.238 -11.045 6.335 1.00 0.00 N ATOM 257 CA GLN A 19 -3.152 -10.341 5.432 1.00 0.00 C ATOM 258 C GLN A 19 -4.605 -10.516 5.847 1.00 0.00 C ATOM 259 O GLN A 19 -5.029 -11.583 6.293 1.00 0.00 O ATOM 260 CB GLN A 19 -2.970 -10.856 4.009 1.00 0.00 C ATOM 261 CG GLN A 19 -3.965 -10.292 3.006 1.00 0.00 C ATOM 262 CD GLN A 19 -3.909 -11.012 1.672 1.00 0.00 C ATOM 263 OE1 GLN A 19 -3.625 -12.209 1.613 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.174 -10.286 0.590 1.00 0.00 N ATOM 0 H GLN A 19 -1.487 -11.554 5.869 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.911 -9.279 5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -1.960 -10.617 3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.055 -11.943 4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.972 -10.368 3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.762 -9.232 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.405 -9.297 0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.146 -10.718 -0.333 1.00 0.00 H new ATOM 273 N ASP A 20 -5.352 -9.434 5.682 1.00 0.00 N ATOM 274 CA ASP A 20 -6.753 -9.388 6.070 1.00 0.00 C ATOM 275 C ASP A 20 -7.271 -7.958 5.993 1.00 0.00 C ATOM 276 O ASP A 20 -6.509 -7.029 5.728 1.00 0.00 O ATOM 277 CB ASP A 20 -6.928 -9.927 7.494 1.00 0.00 C ATOM 278 CG ASP A 20 -7.511 -11.326 7.518 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.712 -11.474 7.214 1.00 0.00 O ATOM 280 OD2 ASP A 20 -6.765 -12.274 7.844 1.00 0.00 O ATOM 0 H ASP A 20 -5.004 -8.565 5.276 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.325 -10.012 5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.962 -9.931 7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.578 -9.256 8.055 1.00 0.00 H new ATOM 285 N PRO A 21 -8.574 -7.762 6.222 1.00 0.00 N ATOM 286 CA PRO A 21 -9.184 -6.446 6.197 1.00 0.00 C ATOM 287 C PRO A 21 -9.101 -5.740 7.546 1.00 0.00 C ATOM 288 O PRO A 21 -10.112 -5.249 8.049 1.00 0.00 O ATOM 289 CB PRO A 21 -10.626 -6.776 5.853 1.00 0.00 C ATOM 290 CG PRO A 21 -10.878 -8.068 6.532 1.00 0.00 C ATOM 291 CD PRO A 21 -9.576 -8.814 6.484 1.00 0.00 C ATOM 0 HA PRO A 21 -8.695 -5.764 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.307 -6.001 6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.769 -6.858 4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.202 -7.913 7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.668 -8.627 6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.377 -9.331 7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.577 -9.569 5.698 1.00 0.00 H new ATOM 299 N ASP A 22 -7.895 -5.664 8.120 1.00 0.00 N ATOM 300 CA ASP A 22 -7.736 -5.021 9.431 1.00 0.00 C ATOM 301 C ASP A 22 -6.292 -4.995 9.980 1.00 0.00 C ATOM 302 O ASP A 22 -6.044 -4.323 10.981 1.00 0.00 O ATOM 303 CB ASP A 22 -8.623 -5.741 10.450 1.00 0.00 C ATOM 304 CG ASP A 22 -8.843 -4.933 11.716 1.00 0.00 C ATOM 305 OD1 ASP A 22 -7.879 -4.772 12.493 1.00 0.00 O ATOM 306 OD2 ASP A 22 -9.982 -4.467 11.932 1.00 0.00 O ATOM 0 H ASP A 22 -7.035 -6.029 7.711 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.024 -3.981 9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.588 -5.961 9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.168 -6.697 10.709 1.00 0.00 H new ATOM 311 N THR A 23 -5.337 -5.696 9.364 1.00 0.00 N ATOM 312 CA THR A 23 -3.976 -5.718 9.912 1.00 0.00 C ATOM 313 C THR A 23 -2.926 -5.052 9.018 1.00 0.00 C ATOM 314 O THR A 23 -1.961 -4.503 9.536 1.00 0.00 O ATOM 315 CB THR A 23 -3.514 -7.157 10.197 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.246 -7.142 10.863 1.00 0.00 O ATOM 317 CG2 THR A 23 -3.400 -7.955 8.911 1.00 0.00 C ATOM 0 H THR A 23 -5.472 -6.240 8.512 1.00 0.00 H new ATOM 0 HA THR A 23 -4.046 -5.139 10.833 1.00 0.00 H new ATOM 0 HB THR A 23 -4.258 -7.631 10.837 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.174 -7.926 11.447 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.072 -8.969 9.140 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.371 -7.991 8.418 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.675 -7.479 8.251 1.00 0.00 H new ATOM 325 N PHE A 24 -3.151 -5.077 7.698 1.00 0.00 N ATOM 326 CA PHE A 24 -2.215 -4.520 6.690 1.00 0.00 C ATOM 327 C PHE A 24 -2.135 -5.424 5.468 1.00 0.00 C ATOM 328 O PHE A 24 -1.283 -6.304 5.394 1.00 0.00 O ATOM 329 CB PHE A 24 -0.778 -4.333 7.219 1.00 0.00 C ATOM 330 CG PHE A 24 -0.489 -2.955 7.762 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.671 -1.828 6.972 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.024 -2.787 9.058 1.00 0.00 C ATOM 333 CE1 PHE A 24 -0.398 -0.566 7.466 1.00 0.00 C ATOM 334 CE2 PHE A 24 0.249 -1.527 9.555 1.00 0.00 C ATOM 335 CZ PHE A 24 0.062 -0.416 8.759 1.00 0.00 C ATOM 0 H PHE A 24 -3.991 -5.485 7.288 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.623 -3.541 6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.595 -5.066 8.005 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.076 -4.547 6.413 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.030 -1.938 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.127 -3.652 9.687 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.545 0.302 6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.609 -1.412 10.567 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.275 0.569 9.147 1.00 0.00 H new ATOM 345 N GLU A 25 -3.037 -5.230 4.525 1.00 0.00 N ATOM 346 CA GLU A 25 -3.026 -6.014 3.307 1.00 0.00 C ATOM 347 C GLU A 25 -1.893 -5.595 2.359 1.00 0.00 C ATOM 348 O GLU A 25 -1.251 -6.450 1.750 1.00 0.00 O ATOM 349 CB GLU A 25 -4.377 -5.867 2.608 1.00 0.00 C ATOM 350 CG GLU A 25 -4.411 -6.471 1.227 1.00 0.00 C ATOM 351 CD GLU A 25 -5.759 -6.315 0.549 1.00 0.00 C ATOM 352 OE1 GLU A 25 -6.636 -7.178 0.764 1.00 0.00 O ATOM 353 OE2 GLU A 25 -5.938 -5.328 -0.196 1.00 0.00 O ATOM 0 H GLU A 25 -3.784 -4.538 4.579 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.850 -7.056 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.146 -6.337 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.628 -4.808 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.644 -6.002 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.163 -7.530 1.293 1.00 0.00 H new ATOM 360 N PRO A 26 -1.623 -4.283 2.219 1.00 0.00 N ATOM 361 CA PRO A 26 -0.594 -3.784 1.322 1.00 0.00 C ATOM 362 C PRO A 26 0.774 -3.517 1.966 1.00 0.00 C ATOM 363 O PRO A 26 1.778 -4.112 1.573 1.00 0.00 O ATOM 364 CB PRO A 26 -1.198 -2.471 0.839 1.00 0.00 C ATOM 365 CG PRO A 26 -2.150 -2.038 1.901 1.00 0.00 C ATOM 366 CD PRO A 26 -2.315 -3.178 2.876 1.00 0.00 C ATOM 0 HA PRO A 26 -0.366 -4.523 0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.423 -1.721 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.711 -2.605 -0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.773 -1.152 2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.111 -1.769 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.873 -2.946 3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.366 -3.409 3.052 1.00 0.00 H new ATOM 374 N GLN A 27 0.807 -2.625 2.956 1.00 0.00 N ATOM 375 CA GLN A 27 2.066 -2.228 3.602 1.00 0.00 C ATOM 376 C GLN A 27 2.855 -3.393 4.196 1.00 0.00 C ATOM 377 O GLN A 27 4.086 -3.363 4.215 1.00 0.00 O ATOM 378 CB GLN A 27 1.820 -1.213 4.722 1.00 0.00 C ATOM 379 CG GLN A 27 0.674 -0.251 4.477 1.00 0.00 C ATOM 380 CD GLN A 27 0.747 0.424 3.126 1.00 0.00 C ATOM 381 OE1 GLN A 27 -0.396 0.893 2.654 1.00 0.00 O flip ATOM 382 NE2 GLN A 27 1.816 0.541 2.528 1.00 0.00 N flip ATOM 0 H GLN A 27 -0.021 -2.162 3.331 1.00 0.00 H new ATOM 0 HA GLN A 27 2.658 -1.791 2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.627 -1.756 5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.732 -0.636 4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.270 -0.791 4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.673 0.510 5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.672 0.162 2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.847 1.017 1.626 1.00 0.00 H new ATOM 391 N LYS A 28 2.162 -4.411 4.676 1.00 0.00 N ATOM 392 CA LYS A 28 2.825 -5.532 5.304 1.00 0.00 C ATOM 393 C LYS A 28 3.617 -6.339 4.294 1.00 0.00 C ATOM 394 O LYS A 28 4.756 -6.729 4.554 1.00 0.00 O ATOM 395 CB LYS A 28 1.806 -6.402 5.996 1.00 0.00 C ATOM 396 CG LYS A 28 1.701 -6.141 7.484 1.00 0.00 C ATOM 397 CD LYS A 28 2.917 -6.668 8.229 1.00 0.00 C ATOM 398 CE LYS A 28 2.890 -6.272 9.697 1.00 0.00 C ATOM 399 NZ LYS A 28 4.062 -6.812 10.439 1.00 0.00 N ATOM 0 H LYS A 28 1.145 -4.481 4.642 1.00 0.00 H new ATOM 0 HA LYS A 28 3.529 -5.148 6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.831 -6.241 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.065 -7.449 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.601 -5.070 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.800 -6.614 7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.953 -7.754 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.824 -6.282 7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.877 -5.185 9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.971 -6.637 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.007 -6.520 11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.061 -7.850 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.939 -6.443 10.019 1.00 0.00 H new ATOM 413 N PHE A 29 3.018 -6.591 3.144 1.00 0.00 N ATOM 414 CA PHE A 29 3.692 -7.344 2.107 1.00 0.00 C ATOM 415 C PHE A 29 4.975 -6.631 1.712 1.00 0.00 C ATOM 416 O PHE A 29 6.040 -7.246 1.644 1.00 0.00 O ATOM 417 CB PHE A 29 2.728 -7.586 0.918 1.00 0.00 C ATOM 418 CG PHE A 29 3.186 -7.182 -0.473 1.00 0.00 C ATOM 419 CD1 PHE A 29 4.471 -7.440 -0.938 1.00 0.00 C ATOM 420 CD2 PHE A 29 2.291 -6.564 -1.334 1.00 0.00 C ATOM 421 CE1 PHE A 29 4.848 -7.084 -2.215 1.00 0.00 C ATOM 422 CE2 PHE A 29 2.669 -6.207 -2.612 1.00 0.00 C ATOM 423 CZ PHE A 29 3.950 -6.467 -3.051 1.00 0.00 C ATOM 0 H PHE A 29 2.073 -6.287 2.907 1.00 0.00 H new ATOM 0 HA PHE A 29 3.980 -8.329 2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.490 -8.649 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.799 -7.056 1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.184 -7.926 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.285 -6.360 -0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.851 -7.291 -2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.961 -5.724 -3.269 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.247 -6.186 -4.051 1.00 0.00 H new ATOM 433 N PHE A 30 4.875 -5.337 1.455 1.00 0.00 N ATOM 434 CA PHE A 30 6.040 -4.579 1.052 1.00 0.00 C ATOM 435 C PHE A 30 7.108 -4.636 2.126 1.00 0.00 C ATOM 436 O PHE A 30 8.206 -5.132 1.909 1.00 0.00 O ATOM 437 CB PHE A 30 5.701 -3.110 0.839 1.00 0.00 C ATOM 438 CG PHE A 30 4.395 -2.827 0.186 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.951 -3.576 -0.874 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.618 -1.775 0.640 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.746 -3.279 -1.472 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.412 -1.478 0.046 1.00 0.00 C ATOM 443 CZ PHE A 30 1.974 -2.233 -1.014 1.00 0.00 C ATOM 0 H PHE A 30 4.011 -4.799 1.518 1.00 0.00 H new ATOM 0 HA PHE A 30 6.395 -5.022 0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.715 -2.611 1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.490 -2.660 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.547 -4.399 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.963 -1.179 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.403 -3.871 -2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.814 -0.656 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.029 -2.008 -1.487 1.00 0.00 H new ATOM 453 N GLN A 31 6.734 -4.174 3.307 1.00 0.00 N ATOM 454 CA GLN A 31 7.650 -4.085 4.436 1.00 0.00 C ATOM 455 C GLN A 31 8.268 -5.415 4.813 1.00 0.00 C ATOM 456 O GLN A 31 9.479 -5.601 4.691 1.00 0.00 O ATOM 457 CB GLN A 31 6.911 -3.512 5.646 1.00 0.00 C ATOM 458 CG GLN A 31 7.829 -2.957 6.720 1.00 0.00 C ATOM 459 CD GLN A 31 8.071 -1.469 6.562 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.104 -0.997 5.319 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 8.238 -0.750 7.547 1.00 0.00 N flip ATOM 0 H GLN A 31 5.789 -3.850 3.512 1.00 0.00 H new ATOM 0 HA GLN A 31 8.466 -3.431 4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.241 -2.721 5.309 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.288 -4.293 6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.394 -3.149 7.701 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.783 -3.483 6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.205 -1.152 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.409 0.248 7.427 1.00 0.00 H new ATOM 470 N THR A 32 7.448 -6.339 5.270 1.00 0.00 N ATOM 471 CA THR A 32 7.945 -7.635 5.698 1.00 0.00 C ATOM 472 C THR A 32 8.858 -8.257 4.647 1.00 0.00 C ATOM 473 O THR A 32 9.979 -8.666 4.951 1.00 0.00 O ATOM 474 CB THR A 32 6.789 -8.601 6.023 1.00 0.00 C ATOM 475 OG1 THR A 32 5.994 -8.070 7.090 1.00 0.00 O ATOM 476 CG2 THR A 32 7.314 -9.975 6.417 1.00 0.00 C ATOM 0 H THR A 32 6.439 -6.220 5.355 1.00 0.00 H new ATOM 0 HA THR A 32 8.525 -7.468 6.606 1.00 0.00 H new ATOM 0 HB THR A 32 6.178 -8.709 5.127 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.319 -7.461 6.723 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.475 -10.635 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.895 -10.392 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.948 -9.883 7.299 1.00 0.00 H new ATOM 484 N SER A 33 8.377 -8.325 3.412 1.00 0.00 N ATOM 485 CA SER A 33 9.140 -8.915 2.335 1.00 0.00 C ATOM 486 C SER A 33 10.224 -7.992 1.764 1.00 0.00 C ATOM 487 O SER A 33 11.421 -8.206 1.954 1.00 0.00 O ATOM 488 CB SER A 33 8.166 -9.352 1.224 1.00 0.00 C ATOM 489 OG SER A 33 8.451 -8.733 -0.021 1.00 0.00 O ATOM 0 H SER A 33 7.459 -7.976 3.137 1.00 0.00 H new ATOM 0 HA SER A 33 9.675 -9.771 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.214 -10.435 1.108 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.146 -9.109 1.522 1.00 0.00 H new ATOM 0 HG SER A 33 9.067 -9.297 -0.534 1.00 0.00 H new ATOM 495 N GLY A 34 9.767 -6.943 1.112 1.00 0.00 N ATOM 496 CA GLY A 34 10.676 -6.066 0.393 1.00 0.00 C ATOM 497 C GLY A 34 11.117 -4.756 1.029 1.00 0.00 C ATOM 498 O GLY A 34 12.296 -4.586 1.337 1.00 0.00 O ATOM 0 H GLY A 34 8.784 -6.676 1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.576 -6.640 0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.209 -5.824 -0.562 1.00 0.00 H new ATOM 502 N LEU A 35 10.178 -3.831 1.228 1.00 0.00 N ATOM 503 CA LEU A 35 10.490 -2.485 1.709 1.00 0.00 C ATOM 504 C LEU A 35 11.567 -2.474 2.788 1.00 0.00 C ATOM 505 O LEU A 35 12.395 -1.564 2.832 1.00 0.00 O ATOM 506 CB LEU A 35 9.214 -1.821 2.217 1.00 0.00 C ATOM 507 CG LEU A 35 8.701 -0.673 1.342 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.679 -1.088 -0.121 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.318 -0.234 1.797 1.00 0.00 C ATOM 0 H LEU A 35 9.185 -3.992 1.061 1.00 0.00 H new ATOM 0 HA LEU A 35 10.895 -1.921 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.433 -2.577 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.393 -1.442 3.223 1.00 0.00 H new ATOM 0 HG LEU A 35 9.380 0.173 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.312 -0.261 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.687 -1.353 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.022 -1.949 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.969 0.582 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.627 -1.073 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.366 0.104 2.832 1.00 0.00 H new ATOM 521 N SER A 36 11.532 -3.467 3.668 1.00 0.00 N ATOM 522 CA SER A 36 12.520 -3.598 4.745 1.00 0.00 C ATOM 523 C SER A 36 13.927 -3.112 4.353 1.00 0.00 C ATOM 524 O SER A 36 14.683 -2.671 5.218 1.00 0.00 O ATOM 525 CB SER A 36 12.596 -5.056 5.202 1.00 0.00 C ATOM 526 OG SER A 36 13.560 -5.223 6.227 1.00 0.00 O ATOM 0 H SER A 36 10.825 -4.202 3.661 1.00 0.00 H new ATOM 0 HA SER A 36 12.179 -2.954 5.556 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.619 -5.378 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.849 -5.693 4.354 1.00 0.00 H new ATOM 0 HG SER A 36 13.586 -6.164 6.501 1.00 0.00 H new ATOM 532 N LYS A 37 14.287 -3.187 3.069 1.00 0.00 N ATOM 533 CA LYS A 37 15.614 -2.739 2.639 1.00 0.00 C ATOM 534 C LYS A 37 15.626 -2.050 1.262 1.00 0.00 C ATOM 535 O LYS A 37 16.580 -1.342 0.940 1.00 0.00 O ATOM 536 CB LYS A 37 16.590 -3.911 2.622 1.00 0.00 C ATOM 537 CG LYS A 37 15.938 -5.270 2.507 1.00 0.00 C ATOM 538 CD LYS A 37 16.981 -6.357 2.347 1.00 0.00 C ATOM 539 CE LYS A 37 16.343 -7.729 2.207 1.00 0.00 C ATOM 540 NZ LYS A 37 15.583 -8.114 3.429 1.00 0.00 N ATOM 0 H LYS A 37 13.692 -3.546 2.322 1.00 0.00 H new ATOM 0 HA LYS A 37 15.922 -1.991 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.279 -3.781 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.186 -3.884 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.336 -5.466 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.260 -5.282 1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.593 -6.148 1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.648 -6.352 3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.674 -7.732 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.117 -8.471 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.336 -9.123 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.168 -7.941 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.713 -7.547 3.490 1.00 0.00 H new ATOM 554 N MET A 38 14.588 -2.248 0.450 1.00 0.00 N ATOM 555 CA MET A 38 14.542 -1.653 -0.893 1.00 0.00 C ATOM 556 C MET A 38 14.877 -0.164 -0.894 1.00 0.00 C ATOM 557 O MET A 38 14.676 0.542 0.094 1.00 0.00 O ATOM 558 CB MET A 38 13.169 -1.830 -1.546 1.00 0.00 C ATOM 559 CG MET A 38 12.443 -3.097 -1.154 1.00 0.00 C ATOM 560 SD MET A 38 13.490 -4.558 -1.272 1.00 0.00 S ATOM 561 CE MET A 38 14.089 -4.384 -2.950 1.00 0.00 C ATOM 0 H MET A 38 13.772 -2.810 0.692 1.00 0.00 H new ATOM 0 HA MET A 38 15.301 -2.187 -1.464 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.545 -0.975 -1.287 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.292 -1.818 -2.629 1.00 0.00 H new ATOM 0 HG2 MET A 38 12.075 -3.000 -0.133 1.00 0.00 H new ATOM 0 HG3 MET A 38 11.572 -3.226 -1.796 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.114 -5.362 -3.431 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.425 -3.723 -3.507 1.00 0.00 H new ATOM 0 HE3 MET A 38 15.094 -3.961 -2.936 1.00 0.00 H new ATOM 571 N SER A 39 15.395 0.289 -2.033 1.00 0.00 N ATOM 572 CA SER A 39 15.752 1.687 -2.231 1.00 0.00 C ATOM 573 C SER A 39 14.499 2.549 -2.390 1.00 0.00 C ATOM 574 O SER A 39 13.421 2.038 -2.685 1.00 0.00 O ATOM 575 CB SER A 39 16.649 1.833 -3.461 1.00 0.00 C ATOM 576 OG SER A 39 17.850 1.095 -3.306 1.00 0.00 O ATOM 0 H SER A 39 15.578 -0.304 -2.843 1.00 0.00 H new ATOM 0 HA SER A 39 16.297 2.030 -1.351 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.117 1.486 -4.347 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.883 2.885 -3.622 1.00 0.00 H new ATOM 0 HG SER A 39 18.406 1.203 -4.106 1.00 0.00 H new ATOM 582 N ALA A 40 14.652 3.857 -2.200 1.00 0.00 N ATOM 583 CA ALA A 40 13.526 4.785 -2.319 1.00 0.00 C ATOM 584 C ALA A 40 12.919 4.746 -3.722 1.00 0.00 C ATOM 585 O ALA A 40 11.701 4.782 -3.887 1.00 0.00 O ATOM 586 CB ALA A 40 13.952 6.203 -1.967 1.00 0.00 C ATOM 0 H ALA A 40 15.540 4.299 -1.964 1.00 0.00 H new ATOM 0 HA ALA A 40 12.762 4.466 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.098 6.874 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.320 6.228 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.743 6.524 -2.644 1.00 0.00 H new ATOM 592 N SER A 41 13.784 4.675 -4.731 1.00 0.00 N ATOM 593 CA SER A 41 13.352 4.660 -6.127 1.00 0.00 C ATOM 594 C SER A 41 12.320 3.575 -6.399 1.00 0.00 C ATOM 595 O SER A 41 11.204 3.864 -6.830 1.00 0.00 O ATOM 596 CB SER A 41 14.557 4.459 -7.043 1.00 0.00 C ATOM 597 OG SER A 41 14.208 4.672 -8.400 1.00 0.00 O ATOM 0 H SER A 41 14.795 4.627 -4.607 1.00 0.00 H new ATOM 0 HA SER A 41 12.883 5.623 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.354 5.146 -6.757 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.947 3.449 -6.919 1.00 0.00 H new ATOM 0 HG SER A 41 14.997 4.539 -8.966 1.00 0.00 H new ATOM 603 N GLN A 42 12.693 2.326 -6.150 1.00 0.00 N ATOM 604 CA GLN A 42 11.787 1.206 -6.388 1.00 0.00 C ATOM 605 C GLN A 42 10.445 1.449 -5.703 1.00 0.00 C ATOM 606 O GLN A 42 9.407 0.966 -6.150 1.00 0.00 O ATOM 607 CB GLN A 42 12.403 -0.100 -5.890 1.00 0.00 C ATOM 608 CG GLN A 42 12.380 -0.246 -4.381 1.00 0.00 C ATOM 609 CD GLN A 42 11.346 -1.253 -3.915 1.00 0.00 C ATOM 610 OE1 GLN A 42 11.045 -2.222 -4.613 1.00 0.00 O ATOM 611 NE2 GLN A 42 10.795 -1.026 -2.732 1.00 0.00 N ATOM 0 H GLN A 42 13.609 2.063 -5.786 1.00 0.00 H new ATOM 0 HA GLN A 42 11.622 1.124 -7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.867 -0.938 -6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.435 -0.161 -6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.366 -0.554 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.170 0.723 -3.928 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.075 -0.210 -2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.091 -1.667 -2.366 1.00 0.00 H new ATOM 620 N VAL A 43 10.479 2.233 -4.635 1.00 0.00 N ATOM 621 CA VAL A 43 9.263 2.529 -3.900 1.00 0.00 C ATOM 622 C VAL A 43 8.244 3.156 -4.838 1.00 0.00 C ATOM 623 O VAL A 43 7.051 2.881 -4.747 1.00 0.00 O ATOM 624 CB VAL A 43 9.492 3.480 -2.718 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.232 3.585 -1.890 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.669 3.026 -1.872 1.00 0.00 C ATOM 0 H VAL A 43 11.323 2.669 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 43 8.901 1.583 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 43 9.734 4.469 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.402 4.262 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.421 3.970 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.963 2.599 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.809 3.718 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.473 2.027 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.571 3.007 -2.484 1.00 0.00 H new ATOM 636 N LYS A 44 8.723 4.010 -5.735 1.00 0.00 N ATOM 637 CA LYS A 44 7.851 4.643 -6.712 1.00 0.00 C ATOM 638 C LYS A 44 7.075 3.581 -7.480 1.00 0.00 C ATOM 639 O LYS A 44 5.874 3.716 -7.714 1.00 0.00 O ATOM 640 CB LYS A 44 8.655 5.501 -7.671 1.00 0.00 C ATOM 641 CG LYS A 44 9.567 6.502 -6.985 1.00 0.00 C ATOM 642 CD LYS A 44 10.357 7.330 -7.987 1.00 0.00 C ATOM 643 CE LYS A 44 11.071 6.454 -9.008 1.00 0.00 C ATOM 644 NZ LYS A 44 10.247 6.234 -10.229 1.00 0.00 N ATOM 0 H LYS A 44 9.705 4.278 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 44 7.147 5.287 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.257 4.852 -8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.968 6.039 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.972 7.164 -6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.257 5.973 -6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.684 8.015 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.088 7.941 -7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.016 6.920 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.312 5.492 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.213 5.218 -10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.282 6.586 -10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.670 6.745 -11.030 1.00 0.00 H new ATOM 658 N ASP A 45 7.778 2.520 -7.869 1.00 0.00 N ATOM 659 CA ASP A 45 7.167 1.418 -8.592 1.00 0.00 C ATOM 660 C ASP A 45 6.274 0.621 -7.654 1.00 0.00 C ATOM 661 O ASP A 45 5.141 0.276 -7.990 1.00 0.00 O ATOM 662 CB ASP A 45 8.250 0.511 -9.172 1.00 0.00 C ATOM 663 CG ASP A 45 8.310 0.568 -10.686 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.530 -0.158 -11.338 1.00 0.00 O ATOM 665 OD2 ASP A 45 9.135 1.338 -11.220 1.00 0.00 O ATOM 0 H ASP A 45 8.776 2.404 -7.692 1.00 0.00 H new ATOM 0 HA ASP A 45 6.564 1.817 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.218 0.800 -8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.065 -0.516 -8.858 1.00 0.00 H new ATOM 670 N ILE A 46 6.807 0.332 -6.475 1.00 0.00 N ATOM 671 CA ILE A 46 6.085 -0.405 -5.457 1.00 0.00 C ATOM 672 C ILE A 46 4.767 0.297 -5.131 1.00 0.00 C ATOM 673 O ILE A 46 3.696 -0.310 -5.175 1.00 0.00 O ATOM 674 CB ILE A 46 6.984 -0.560 -4.207 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.889 -1.774 -4.374 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.185 -0.671 -2.914 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.617 -1.843 -5.701 1.00 0.00 C ATOM 0 H ILE A 46 7.751 0.603 -6.201 1.00 0.00 H new ATOM 0 HA ILE A 46 5.836 -1.401 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 46 7.585 0.345 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.626 -1.774 -3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.289 -2.676 -4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.869 -0.778 -2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.582 0.227 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.532 -1.542 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.237 -2.739 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.891 -1.878 -6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.248 -0.962 -5.816 1.00 0.00 H new ATOM 689 N PHE A 47 4.859 1.578 -4.805 1.00 0.00 N ATOM 690 CA PHE A 47 3.693 2.390 -4.486 1.00 0.00 C ATOM 691 C PHE A 47 2.560 2.180 -5.478 1.00 0.00 C ATOM 692 O PHE A 47 1.387 2.347 -5.144 1.00 0.00 O ATOM 693 CB PHE A 47 4.094 3.853 -4.493 1.00 0.00 C ATOM 694 CG PHE A 47 3.033 4.761 -3.975 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.469 4.523 -2.742 1.00 0.00 C ATOM 696 CD2 PHE A 47 2.598 5.846 -4.716 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.490 5.348 -2.249 1.00 0.00 C ATOM 698 CE2 PHE A 47 1.613 6.676 -4.225 1.00 0.00 C ATOM 699 CZ PHE A 47 1.063 6.423 -2.990 1.00 0.00 C ATOM 0 H PHE A 47 5.743 2.084 -4.754 1.00 0.00 H new ATOM 0 HA PHE A 47 3.334 2.088 -3.502 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.994 3.978 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.348 4.147 -5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.801 3.678 -2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.033 6.044 -5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.056 5.153 -1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.275 7.521 -4.807 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.292 7.072 -2.601 1.00 0.00 H new ATOM 709 N ARG A 48 2.918 1.814 -6.694 1.00 0.00 N ATOM 710 CA ARG A 48 1.931 1.596 -7.739 1.00 0.00 C ATOM 711 C ARG A 48 0.902 0.555 -7.304 1.00 0.00 C ATOM 712 O ARG A 48 -0.202 0.501 -7.846 1.00 0.00 O ATOM 713 CB ARG A 48 2.614 1.171 -9.037 1.00 0.00 C ATOM 714 CG ARG A 48 3.597 2.205 -9.559 1.00 0.00 C ATOM 715 CD ARG A 48 2.942 3.572 -9.697 1.00 0.00 C ATOM 716 NE ARG A 48 1.790 3.533 -10.593 1.00 0.00 N ATOM 717 CZ ARG A 48 0.944 4.546 -10.750 1.00 0.00 C ATOM 718 NH1 ARG A 48 1.116 5.669 -10.069 1.00 0.00 N ATOM 719 NH2 ARG A 48 -0.079 4.435 -11.589 1.00 0.00 N ATOM 0 H ARG A 48 3.884 1.661 -6.984 1.00 0.00 H new ATOM 0 HA ARG A 48 1.407 2.535 -7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.139 0.230 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.854 0.985 -9.796 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.449 2.274 -8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.984 1.886 -10.527 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.627 3.925 -8.715 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.672 4.288 -10.074 1.00 0.00 H new ATOM 0 HE ARG A 48 1.625 2.681 -11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.899 5.758 -9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.465 6.445 -10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.217 3.571 -12.114 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.727 5.213 -11.708 1.00 0.00 H new ATOM 733 N PHE A 49 1.267 -0.277 -6.325 1.00 0.00 N ATOM 734 CA PHE A 49 0.359 -1.298 -5.820 1.00 0.00 C ATOM 735 C PHE A 49 -0.983 -0.680 -5.442 1.00 0.00 C ATOM 736 O PHE A 49 -2.012 -1.007 -6.032 1.00 0.00 O ATOM 737 CB PHE A 49 0.978 -2.007 -4.613 1.00 0.00 C ATOM 738 CG PHE A 49 0.199 -3.208 -4.150 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.258 -4.398 -4.858 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.589 -3.150 -3.011 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.452 -5.507 -4.438 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.300 -4.255 -2.587 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.233 -5.435 -3.301 1.00 0.00 C ATOM 0 H PHE A 49 2.180 -0.261 -5.872 1.00 0.00 H new ATOM 0 HA PHE A 49 0.190 -2.032 -6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.991 -2.318 -4.866 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.059 -1.298 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.866 -4.459 -5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.647 -2.230 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.396 -6.429 -4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.909 -4.196 -1.697 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.790 -6.300 -2.971 1.00 0.00 H new ATOM 753 N ILE A 50 -0.973 0.216 -4.454 1.00 0.00 N ATOM 754 CA ILE A 50 -2.201 0.873 -4.023 1.00 0.00 C ATOM 755 C ILE A 50 -2.783 1.729 -5.164 1.00 0.00 C ATOM 756 O ILE A 50 -2.721 1.312 -6.320 1.00 0.00 O ATOM 757 CB ILE A 50 -2.002 1.678 -2.704 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.724 2.533 -2.708 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.977 0.716 -1.534 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.522 3.297 -1.409 1.00 0.00 C ATOM 0 H ILE A 50 -0.136 0.499 -3.944 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.935 0.102 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.839 2.371 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.138 1.889 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.768 3.240 -3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.838 1.273 -0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.920 0.170 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.155 0.011 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.395 3.883 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.368 3.964 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.448 2.593 -0.580 1.00 0.00 H new ATOM 772 N ASP A 51 -3.345 2.906 -4.877 1.00 0.00 N ATOM 773 CA ASP A 51 -3.939 3.723 -5.932 1.00 0.00 C ATOM 774 C ASP A 51 -2.875 4.353 -6.835 1.00 0.00 C ATOM 775 O ASP A 51 -1.676 4.164 -6.625 1.00 0.00 O ATOM 776 CB ASP A 51 -4.857 4.787 -5.330 1.00 0.00 C ATOM 777 CG ASP A 51 -6.249 4.255 -5.048 1.00 0.00 C ATOM 778 OD1 ASP A 51 -7.077 4.231 -5.983 1.00 0.00 O ATOM 779 OD2 ASP A 51 -6.511 3.860 -3.892 1.00 0.00 O ATOM 0 H ASP A 51 -3.400 3.307 -3.941 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.539 3.067 -6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.419 5.160 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.926 5.633 -6.014 1.00 0.00 H new ATOM 784 N ASN A 52 -3.325 5.103 -7.842 1.00 0.00 N ATOM 785 CA ASN A 52 -2.415 5.726 -8.807 1.00 0.00 C ATOM 786 C ASN A 52 -1.900 7.090 -8.351 1.00 0.00 C ATOM 787 O ASN A 52 -0.707 7.368 -8.456 1.00 0.00 O ATOM 788 CB ASN A 52 -3.112 5.867 -10.161 1.00 0.00 C ATOM 789 CG ASN A 52 -4.412 6.640 -10.064 1.00 0.00 C ATOM 790 OD1 ASN A 52 -5.086 6.616 -9.035 1.00 0.00 O ATOM 791 ND2 ASN A 52 -4.773 7.328 -11.142 1.00 0.00 N ATOM 0 H ASN A 52 -4.313 5.294 -8.011 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.549 5.070 -8.891 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.444 6.371 -10.860 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.311 4.876 -10.569 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.640 7.865 -11.138 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.183 7.319 -11.974 1.00 0.00 H new ATOM 798 N ASP A 53 -2.790 7.935 -7.842 1.00 0.00 N ATOM 799 CA ASP A 53 -2.400 9.267 -7.374 1.00 0.00 C ATOM 800 C ASP A 53 -3.618 10.148 -7.143 1.00 0.00 C ATOM 801 O ASP A 53 -3.565 11.083 -6.361 1.00 0.00 O ATOM 802 CB ASP A 53 -1.480 9.958 -8.378 1.00 0.00 C ATOM 803 CG ASP A 53 -0.020 9.902 -7.967 1.00 0.00 C ATOM 804 OD1 ASP A 53 0.325 10.493 -6.921 1.00 0.00 O ATOM 805 OD2 ASP A 53 0.778 9.268 -8.690 1.00 0.00 O ATOM 0 H ASP A 53 -3.783 7.726 -7.742 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.870 9.127 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.597 9.489 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.783 10.999 -8.486 1.00 0.00 H new ATOM 810 N GLN A 54 -4.696 9.871 -7.863 1.00 0.00 N ATOM 811 CA GLN A 54 -5.942 10.625 -7.743 1.00 0.00 C ATOM 812 C GLN A 54 -5.715 12.116 -7.520 1.00 0.00 C ATOM 813 O GLN A 54 -6.260 12.718 -6.592 1.00 0.00 O ATOM 814 CB GLN A 54 -6.855 10.099 -6.664 1.00 0.00 C ATOM 815 CG GLN A 54 -6.162 9.577 -5.435 1.00 0.00 C ATOM 816 CD GLN A 54 -6.115 8.086 -5.413 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.123 7.533 -4.223 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -6.072 7.434 -6.455 1.00 0.00 N flip ATOM 0 H GLN A 54 -4.734 9.117 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.432 10.485 -8.707 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.536 10.896 -6.366 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.465 9.299 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.147 9.973 -5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.680 9.937 -4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.068 7.912 -7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.041 6.415 -6.418 1.00 0.00 H new ATOM 827 N SER A 55 -4.887 12.675 -8.379 1.00 0.00 N ATOM 828 CA SER A 55 -4.561 14.110 -8.396 1.00 0.00 C ATOM 829 C SER A 55 -3.320 14.442 -7.582 1.00 0.00 C ATOM 830 O SER A 55 -3.306 15.415 -6.828 1.00 0.00 O ATOM 831 CB SER A 55 -5.731 14.965 -7.887 1.00 0.00 C ATOM 832 OG SER A 55 -6.975 14.427 -8.299 1.00 0.00 O ATOM 0 H SER A 55 -4.405 12.144 -9.105 1.00 0.00 H new ATOM 0 HA SER A 55 -4.362 14.348 -9.441 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.698 15.020 -6.799 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.630 15.984 -8.261 1.00 0.00 H new ATOM 0 HG SER A 55 -7.319 13.828 -7.604 1.00 0.00 H new ATOM 838 N GLY A 56 -2.283 13.636 -7.732 1.00 0.00 N ATOM 839 CA GLY A 56 -1.042 13.911 -7.036 1.00 0.00 C ATOM 840 C GLY A 56 -0.905 13.197 -5.713 1.00 0.00 C ATOM 841 O GLY A 56 0.188 13.157 -5.147 1.00 0.00 O ATOM 0 H GLY A 56 -2.275 12.801 -8.318 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.208 13.627 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.963 14.985 -6.867 1.00 0.00 H new ATOM 845 N TYR A 57 -1.989 12.629 -5.204 1.00 0.00 N ATOM 846 CA TYR A 57 -1.912 11.935 -3.930 1.00 0.00 C ATOM 847 C TYR A 57 -3.093 11.015 -3.692 1.00 0.00 C ATOM 848 O TYR A 57 -4.211 11.292 -4.114 1.00 0.00 O ATOM 849 CB TYR A 57 -1.827 12.937 -2.778 1.00 0.00 C ATOM 850 CG TYR A 57 -3.138 13.636 -2.473 1.00 0.00 C ATOM 851 CD1 TYR A 57 -4.199 12.972 -1.865 1.00 0.00 C ATOM 852 CD2 TYR A 57 -3.312 14.957 -2.815 1.00 0.00 C ATOM 853 CE1 TYR A 57 -5.392 13.624 -1.607 1.00 0.00 C ATOM 854 CE2 TYR A 57 -4.498 15.618 -2.566 1.00 0.00 C ATOM 855 CZ TYR A 57 -5.536 14.948 -1.961 1.00 0.00 C ATOM 856 OH TYR A 57 -6.721 15.599 -1.709 1.00 0.00 O ATOM 0 H TYR A 57 -2.910 12.634 -5.642 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.010 11.324 -3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.487 12.418 -1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.074 13.687 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.090 11.933 -1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.501 15.490 -3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.206 13.098 -1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.610 16.655 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.657 16.527 -2.019 1.00 0.00 H new ATOM 866 N LEU A 58 -2.853 9.986 -2.899 1.00 0.00 N ATOM 867 CA LEU A 58 -3.891 9.031 -2.577 1.00 0.00 C ATOM 868 C LEU A 58 -4.470 9.401 -1.224 1.00 0.00 C ATOM 869 O LEU A 58 -3.814 10.079 -0.441 1.00 0.00 O ATOM 870 CB LEU A 58 -3.336 7.604 -2.544 1.00 0.00 C ATOM 871 CG LEU A 58 -2.402 7.235 -3.701 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.936 5.795 -3.579 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.085 7.462 -5.028 1.00 0.00 C ATOM 0 H LEU A 58 -1.949 9.793 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.666 9.062 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.798 7.463 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.174 6.907 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.526 7.881 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.274 5.555 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.399 5.665 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.800 5.130 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.406 7.194 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.981 6.844 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.362 8.512 -5.120 1.00 0.00 H new ATOM 885 N ASP A 59 -5.697 8.993 -0.937 1.00 0.00 N ATOM 886 CA ASP A 59 -6.284 9.363 0.332 1.00 0.00 C ATOM 887 C ASP A 59 -7.351 8.384 0.782 1.00 0.00 C ATOM 888 O ASP A 59 -7.961 7.672 -0.017 1.00 0.00 O ATOM 889 CB ASP A 59 -6.845 10.766 0.207 1.00 0.00 C ATOM 890 CG ASP A 59 -7.116 11.412 1.552 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.216 11.196 2.103 1.00 0.00 O ATOM 892 OD2 ASP A 59 -6.228 12.133 2.053 1.00 0.00 O ATOM 0 H ASP A 59 -6.286 8.424 -1.546 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.511 9.335 1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.144 11.384 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.770 10.733 -0.368 1.00 0.00 H new ATOM 897 N GLY A 60 -7.572 8.395 2.091 1.00 0.00 N ATOM 898 CA GLY A 60 -8.486 7.469 2.739 1.00 0.00 C ATOM 899 C GLY A 60 -9.753 7.201 1.956 1.00 0.00 C ATOM 900 O GLY A 60 -10.334 6.122 2.063 1.00 0.00 O ATOM 0 H GLY A 60 -7.121 9.048 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.970 6.524 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.754 7.865 3.718 1.00 0.00 H new ATOM 904 N ASP A 61 -10.185 8.181 1.179 1.00 0.00 N ATOM 905 CA ASP A 61 -11.389 8.042 0.379 1.00 0.00 C ATOM 906 C ASP A 61 -11.146 7.087 -0.781 1.00 0.00 C ATOM 907 O ASP A 61 -11.887 6.129 -0.999 1.00 0.00 O ATOM 908 CB ASP A 61 -11.807 9.403 -0.175 1.00 0.00 C ATOM 909 CG ASP A 61 -11.928 10.459 0.905 1.00 0.00 C ATOM 910 OD1 ASP A 61 -10.915 11.126 1.200 1.00 0.00 O ATOM 911 OD2 ASP A 61 -13.037 10.619 1.458 1.00 0.00 O ATOM 0 H ASP A 61 -9.718 9.083 1.086 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.181 7.644 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.078 9.729 -0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.763 9.304 -0.690 1.00 0.00 H new ATOM 916 N GLU A 62 -10.084 7.382 -1.511 1.00 0.00 N ATOM 917 CA GLU A 62 -9.694 6.624 -2.693 1.00 0.00 C ATOM 918 C GLU A 62 -8.991 5.313 -2.355 1.00 0.00 C ATOM 919 O GLU A 62 -9.060 4.347 -3.114 1.00 0.00 O ATOM 920 CB GLU A 62 -8.781 7.481 -3.547 1.00 0.00 C ATOM 921 CG GLU A 62 -9.453 8.723 -4.102 1.00 0.00 C ATOM 922 CD GLU A 62 -10.627 8.404 -5.004 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.405 7.815 -6.083 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.770 8.743 -4.631 1.00 0.00 O ATOM 0 H GLU A 62 -9.461 8.161 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.606 6.365 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.918 7.781 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.405 6.881 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.795 9.345 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.721 9.308 -4.659 1.00 0.00 H new ATOM 931 N LEU A 63 -8.317 5.289 -1.217 1.00 0.00 N ATOM 932 CA LEU A 63 -7.546 4.125 -0.793 1.00 0.00 C ATOM 933 C LEU A 63 -8.267 2.803 -1.049 1.00 0.00 C ATOM 934 O LEU A 63 -7.653 1.845 -1.517 1.00 0.00 O ATOM 935 CB LEU A 63 -7.209 4.254 0.693 1.00 0.00 C ATOM 936 CG LEU A 63 -6.156 5.310 1.014 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.704 5.223 2.461 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.977 5.216 0.056 1.00 0.00 C ATOM 0 H LEU A 63 -8.287 6.070 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.636 4.106 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.121 4.491 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.860 3.288 1.059 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.617 6.288 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.954 5.990 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.559 5.377 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.274 4.239 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.242 5.980 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.519 4.230 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.325 5.370 -0.965 1.00 0.00 H new ATOM 950 N LYS A 64 -9.557 2.742 -0.747 1.00 0.00 N ATOM 951 CA LYS A 64 -10.318 1.512 -0.938 1.00 0.00 C ATOM 952 C LYS A 64 -10.370 1.082 -2.400 1.00 0.00 C ATOM 953 O LYS A 64 -10.616 -0.087 -2.696 1.00 0.00 O ATOM 954 CB LYS A 64 -11.744 1.713 -0.429 1.00 0.00 C ATOM 955 CG LYS A 64 -11.830 2.401 0.923 1.00 0.00 C ATOM 956 CD LYS A 64 -12.863 3.518 0.920 1.00 0.00 C ATOM 957 CE LYS A 64 -14.274 2.979 0.750 1.00 0.00 C ATOM 958 NZ LYS A 64 -14.699 2.155 1.916 1.00 0.00 N ATOM 0 H LYS A 64 -10.096 3.522 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.812 0.726 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.299 2.301 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.235 0.742 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.088 1.669 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.854 2.808 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.797 4.077 1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.641 4.217 0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.967 3.810 0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.326 2.378 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.694 1.877 1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.106 1.303 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.594 2.709 2.790 1.00 0.00 H new ATOM 972 N TYR A 65 -10.138 2.015 -3.310 1.00 0.00 N ATOM 973 CA TYR A 65 -10.175 1.693 -4.735 1.00 0.00 C ATOM 974 C TYR A 65 -8.926 0.931 -5.181 1.00 0.00 C ATOM 975 O TYR A 65 -8.928 0.301 -6.236 1.00 0.00 O ATOM 976 CB TYR A 65 -10.344 2.955 -5.583 1.00 0.00 C ATOM 977 CG TYR A 65 -11.515 3.825 -5.176 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.552 3.319 -4.399 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.585 5.154 -5.574 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.621 4.114 -4.032 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.651 5.954 -5.209 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.667 5.428 -4.440 1.00 0.00 C ATOM 983 OH TYR A 65 -14.731 6.222 -4.075 1.00 0.00 O ATOM 0 H TYR A 65 -9.925 2.989 -3.096 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.039 1.047 -4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.429 3.545 -5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.467 2.664 -6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.521 2.288 -4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.793 5.569 -6.179 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.417 3.706 -3.427 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.688 6.986 -5.525 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.609 7.122 -4.443 1.00 0.00 H new ATOM 993 N PHE A 66 -7.861 0.967 -4.377 1.00 0.00 N ATOM 994 CA PHE A 66 -6.621 0.268 -4.729 1.00 0.00 C ATOM 995 C PHE A 66 -6.937 -1.159 -5.194 1.00 0.00 C ATOM 996 O PHE A 66 -6.479 -1.603 -6.247 1.00 0.00 O ATOM 997 CB PHE A 66 -5.647 0.284 -3.520 1.00 0.00 C ATOM 998 CG PHE A 66 -5.221 -1.067 -3.003 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.366 -1.873 -3.738 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.686 -1.525 -1.788 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.982 -3.112 -3.262 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -5.309 -2.763 -1.304 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.456 -3.559 -2.043 1.00 0.00 C ATOM 0 H PHE A 66 -7.830 1.466 -3.488 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.130 0.781 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.754 0.841 -3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.119 0.832 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.996 -1.529 -4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.354 -0.907 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.312 -3.730 -3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.680 -3.107 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.160 -4.528 -1.669 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.723 -1.857 -4.388 1.00 0.00 N ATOM 1014 CA LEU A 67 -8.141 -3.210 -4.713 1.00 0.00 C ATOM 1015 C LEU A 67 -9.001 -3.171 -5.958 1.00 0.00 C ATOM 1016 O LEU A 67 -8.971 -4.074 -6.786 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.949 -3.815 -3.562 1.00 0.00 C ATOM 1018 CG LEU A 67 -8.129 -4.556 -2.503 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -9.044 -5.178 -1.460 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -7.254 -5.617 -3.149 1.00 0.00 C ATOM 0 H LEU A 67 -8.085 -1.506 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.257 -3.825 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.506 -3.016 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.682 -4.506 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.480 -3.836 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.444 -5.701 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.626 -4.395 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.719 -5.885 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.679 -6.132 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.882 -6.336 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.572 -5.145 -3.856 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.764 -2.097 -6.076 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.650 -1.909 -7.205 1.00 0.00 C ATOM 1034 C GLN A 68 -9.862 -1.703 -8.493 1.00 0.00 C ATOM 1035 O GLN A 68 -10.247 -2.207 -9.546 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.596 -0.739 -6.939 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.607 -1.040 -5.849 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.808 -0.116 -5.892 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.705 1.037 -6.309 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.957 -0.620 -5.458 1.00 0.00 N ATOM 0 H GLN A 68 -9.785 -1.338 -5.395 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.247 -2.812 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.013 0.137 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.124 -0.487 -7.859 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.944 -2.072 -5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.123 -0.954 -4.876 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.997 -1.582 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.800 -0.045 -5.462 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.755 -0.972 -8.418 1.00 0.00 N ATOM 1050 CA LYS A 69 -7.930 -0.742 -9.589 1.00 0.00 C ATOM 1051 C LYS A 69 -7.357 -2.055 -10.090 1.00 0.00 C ATOM 1052 O LYS A 69 -7.442 -2.390 -11.271 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.777 0.189 -9.223 1.00 0.00 C ATOM 1054 CG LYS A 69 -7.185 1.403 -8.405 1.00 0.00 C ATOM 1055 CD LYS A 69 -8.494 2.011 -8.873 1.00 0.00 C ATOM 1056 CE LYS A 69 -8.447 2.390 -10.345 1.00 0.00 C ATOM 1057 NZ LYS A 69 -7.496 3.507 -10.598 1.00 0.00 N ATOM 0 H LYS A 69 -8.413 -0.533 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.544 -0.292 -10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.033 -0.377 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.296 0.529 -10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.276 1.116 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.399 2.156 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.304 1.301 -8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.717 2.896 -8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.153 1.522 -10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.444 2.679 -10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.530 3.770 -11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.761 4.327 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.532 3.205 -10.351 1.00 0.00 H new ATOM 1071 N PHE A 70 -6.774 -2.782 -9.157 1.00 0.00 N ATOM 1072 CA PHE A 70 -6.155 -4.066 -9.425 1.00 0.00 C ATOM 1073 C PHE A 70 -7.209 -5.136 -9.736 1.00 0.00 C ATOM 1074 O PHE A 70 -7.150 -5.798 -10.771 1.00 0.00 O ATOM 1075 CB PHE A 70 -5.297 -4.421 -8.198 1.00 0.00 C ATOM 1076 CG PHE A 70 -5.299 -5.870 -7.783 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -4.723 -6.844 -8.581 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -5.885 -6.246 -6.587 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -4.732 -8.171 -8.190 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -5.898 -7.565 -6.190 1.00 0.00 C ATOM 1081 CZ PHE A 70 -5.320 -8.532 -6.992 1.00 0.00 C ATOM 0 H PHE A 70 -6.716 -2.495 -8.180 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.522 -4.017 -10.311 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.268 -4.124 -8.402 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.641 -3.822 -7.354 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.262 -6.565 -9.517 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.338 -5.495 -5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.281 -8.924 -8.819 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.359 -7.843 -5.254 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.328 -9.567 -6.683 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.164 -5.293 -8.829 1.00 0.00 N ATOM 1092 CA GLN A 71 -9.224 -6.280 -8.996 1.00 0.00 C ATOM 1093 C GLN A 71 -10.350 -5.735 -9.872 1.00 0.00 C ATOM 1094 O GLN A 71 -10.482 -6.126 -11.032 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.787 -6.710 -7.639 1.00 0.00 C ATOM 1096 CG GLN A 71 -10.917 -7.724 -7.747 1.00 0.00 C ATOM 1097 CD GLN A 71 -11.507 -8.113 -6.401 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -11.610 -7.153 -5.485 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -11.890 -9.264 -6.193 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.227 -4.749 -7.969 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.788 -7.149 -9.489 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.983 -7.136 -7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.149 -5.829 -7.108 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.706 -7.313 -8.376 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.546 -8.619 -8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.794 -9.973 -6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.303 -9.509 -5.293 1.00 0.00 H new ATOM 1108 N SER A 72 -11.149 -4.832 -9.277 1.00 0.00 N ATOM 1109 CA SER A 72 -12.312 -4.180 -9.915 1.00 0.00 C ATOM 1110 C SER A 72 -13.603 -4.590 -9.210 1.00 0.00 C ATOM 1111 O SER A 72 -14.693 -4.464 -9.767 1.00 0.00 O ATOM 1112 CB SER A 72 -12.428 -4.476 -11.411 1.00 0.00 C ATOM 1113 OG SER A 72 -11.283 -4.027 -12.112 1.00 0.00 O ATOM 0 H SER A 72 -11.002 -4.526 -8.315 1.00 0.00 H new ATOM 0 HA SER A 72 -12.152 -3.107 -9.814 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.554 -5.548 -11.564 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.317 -3.990 -11.813 1.00 0.00 H new ATOM 0 HG SER A 72 -10.642 -4.763 -12.196 1.00 0.00 H new ATOM 1119 N ASP A 73 -13.471 -5.081 -7.978 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.617 -5.526 -7.203 1.00 0.00 C ATOM 1121 C ASP A 73 -14.278 -5.569 -5.718 1.00 0.00 C ATOM 1122 O ASP A 73 -14.816 -6.389 -4.974 1.00 0.00 O ATOM 1123 CB ASP A 73 -15.073 -6.907 -7.679 1.00 0.00 C ATOM 1124 CG ASP A 73 -16.418 -7.304 -7.103 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -17.451 -6.861 -7.648 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -16.440 -8.061 -6.110 1.00 0.00 O ATOM 0 H ASP A 73 -12.576 -5.179 -7.498 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.429 -4.815 -7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.132 -6.912 -8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.327 -7.650 -7.397 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.382 -4.684 -5.289 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.972 -4.631 -3.898 1.00 0.00 C ATOM 1133 C ALA A 74 -14.159 -4.371 -2.983 1.00 0.00 C ATOM 1134 O ALA A 74 -15.093 -3.658 -3.349 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.932 -3.537 -3.710 1.00 0.00 C ATOM 0 H ALA A 74 -12.928 -3.995 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.543 -5.597 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.627 -3.501 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.064 -3.749 -4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.359 -2.576 -3.997 1.00 0.00 H new ATOM 1141 N ARG A 75 -14.120 -4.954 -1.791 1.00 0.00 N ATOM 1142 CA ARG A 75 -15.179 -4.751 -0.815 1.00 0.00 C ATOM 1143 C ARG A 75 -15.129 -3.324 -0.255 1.00 0.00 C ATOM 1144 O ARG A 75 -16.022 -2.916 0.485 1.00 0.00 O ATOM 1145 CB ARG A 75 -15.053 -5.762 0.327 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.730 -5.679 1.070 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.823 -6.852 0.733 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.461 -6.642 1.214 1.00 0.00 N ATOM 1149 CZ ARG A 75 -10.501 -7.558 1.132 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -10.755 -8.745 0.599 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -9.285 -7.287 1.588 1.00 0.00 N ATOM 0 H ARG A 75 -13.368 -5.569 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.136 -4.899 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.868 -5.603 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.172 -6.768 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.228 -4.746 0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.916 -5.659 2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.228 -7.763 1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.808 -7.001 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.233 -5.742 1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.690 -8.958 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.016 -9.445 0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.087 -6.376 2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.548 -7.990 1.525 1.00 0.00 H new ATOM 1165 N GLU A 76 -14.060 -2.588 -0.611 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.836 -1.203 -0.181 1.00 0.00 C ATOM 1167 C GLU A 76 -12.950 -1.185 1.047 1.00 0.00 C ATOM 1168 O GLU A 76 -13.164 -0.424 1.989 1.00 0.00 O ATOM 1169 CB GLU A 76 -15.133 -0.450 0.080 1.00 0.00 C ATOM 1170 CG GLU A 76 -16.082 -0.492 -1.100 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.407 0.187 -0.814 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.503 1.415 -1.027 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -18.348 -0.507 -0.376 1.00 0.00 O ATOM 0 H GLU A 76 -13.320 -2.947 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.338 -0.684 -1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.627 -0.877 0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.903 0.588 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.610 -0.011 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.264 -1.530 -1.377 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.942 -2.042 0.996 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.965 -2.204 2.071 1.00 0.00 C ATOM 1182 C LEU A 77 -11.558 -1.990 3.462 1.00 0.00 C ATOM 1183 O LEU A 77 -10.861 -1.564 4.376 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.827 -1.231 1.842 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.733 -1.742 0.921 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.636 -0.716 0.817 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -8.190 -3.070 1.410 1.00 0.00 C ATOM 0 H LEU A 77 -11.774 -2.654 0.198 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.613 -3.235 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.233 -0.309 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.384 -0.978 2.805 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.155 -1.905 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.853 -1.086 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.043 0.212 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.217 -0.530 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.408 -3.415 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.776 -2.947 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.995 -3.804 1.438 1.00 0.00 H new ATOM 1199 N THR A 78 -12.832 -2.321 3.612 1.00 0.00 N ATOM 1200 CA THR A 78 -13.548 -2.156 4.877 1.00 0.00 C ATOM 1201 C THR A 78 -13.180 -0.846 5.573 1.00 0.00 C ATOM 1202 O THR A 78 -12.433 -0.026 5.043 1.00 0.00 O ATOM 1203 CB THR A 78 -13.260 -3.317 5.845 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.959 -3.162 6.423 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.336 -4.653 5.126 1.00 0.00 C ATOM 0 H THR A 78 -13.402 -2.712 2.862 1.00 0.00 H new ATOM 0 HA THR A 78 -14.608 -2.144 4.623 1.00 0.00 H new ATOM 0 HB THR A 78 -14.015 -3.298 6.631 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.708 -3.986 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.129 -5.458 5.831 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.334 -4.785 4.708 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.600 -4.676 4.322 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.772 -0.608 6.724 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.442 0.574 7.494 1.00 0.00 C ATOM 1215 C GLU A 79 -12.008 0.467 8.010 1.00 0.00 C ATOM 1216 O GLU A 79 -11.214 1.403 7.909 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.412 0.734 8.665 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.866 0.861 8.237 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.807 1.031 9.413 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -17.044 2.188 9.821 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -17.309 0.009 9.926 1.00 0.00 O ATOM 0 H GLU A 79 -14.479 -1.211 7.145 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.528 1.451 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.311 -0.124 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.132 1.617 9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.970 1.714 7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.153 -0.026 7.672 1.00 0.00 H new ATOM 1228 N SER A 80 -11.701 -0.706 8.560 1.00 0.00 N ATOM 1229 CA SER A 80 -10.398 -0.998 9.155 1.00 0.00 C ATOM 1230 C SER A 80 -9.233 -1.077 8.166 1.00 0.00 C ATOM 1231 O SER A 80 -8.199 -0.450 8.391 1.00 0.00 O ATOM 1232 CB SER A 80 -10.471 -2.305 9.938 1.00 0.00 C ATOM 1233 OG SER A 80 -9.298 -2.499 10.710 1.00 0.00 O ATOM 0 H SER A 80 -12.355 -1.487 8.606 1.00 0.00 H new ATOM 0 HA SER A 80 -10.185 -0.148 9.803 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.343 -2.294 10.591 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.600 -3.140 9.249 1.00 0.00 H new ATOM 0 HG SER A 80 -9.544 -2.813 11.605 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.376 -1.834 7.076 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.262 -2.001 6.143 1.00 0.00 C ATOM 1241 C GLU A 81 -7.712 -0.677 5.635 1.00 0.00 C ATOM 1242 O GLU A 81 -6.498 -0.482 5.628 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.663 -2.869 4.951 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.604 -3.893 4.583 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.310 -3.251 4.124 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -6.365 -2.366 3.245 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.241 -3.632 4.645 1.00 0.00 O ATOM 0 H GLU A 81 -10.230 -2.330 6.822 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.474 -2.497 6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.595 -3.385 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.857 -2.229 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.404 -4.530 5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.986 -4.538 3.792 1.00 0.00 H new ATOM 1254 N THR A 82 -8.573 0.244 5.216 1.00 0.00 N ATOM 1255 CA THR A 82 -8.091 1.526 4.731 1.00 0.00 C ATOM 1256 C THR A 82 -7.133 2.156 5.733 1.00 0.00 C ATOM 1257 O THR A 82 -6.311 2.997 5.370 1.00 0.00 O ATOM 1258 CB THR A 82 -9.237 2.497 4.441 1.00 0.00 C ATOM 1259 OG1 THR A 82 -10.052 2.667 5.606 1.00 0.00 O ATOM 1260 CG2 THR A 82 -10.081 1.990 3.285 1.00 0.00 C ATOM 0 H THR A 82 -9.586 0.129 5.203 1.00 0.00 H new ATOM 0 HA THR A 82 -7.565 1.332 3.796 1.00 0.00 H new ATOM 0 HB THR A 82 -8.810 3.462 4.166 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.780 3.292 5.407 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.892 2.692 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.460 1.898 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.498 1.015 3.539 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.241 1.750 6.999 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.336 2.251 8.018 1.00 0.00 C ATOM 1270 C LYS A 83 -4.909 1.938 7.589 1.00 0.00 C ATOM 1271 O LYS A 83 -3.992 2.727 7.798 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.636 1.616 9.378 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.774 2.164 10.504 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.110 1.513 11.835 1.00 0.00 C ATOM 1275 CE LYS A 83 -5.234 2.053 12.954 1.00 0.00 C ATOM 1276 NZ LYS A 83 -5.538 1.410 14.262 1.00 0.00 N ATOM 0 H LYS A 83 -7.938 1.085 7.334 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.468 3.328 8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.686 1.778 9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.487 0.538 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.722 1.997 10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.916 3.242 10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.159 1.690 12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.979 0.434 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.186 1.889 12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.377 3.130 13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.918 1.807 14.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.531 1.588 14.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.377 0.385 14.191 1.00 0.00 H new ATOM 1290 N SER A 84 -4.743 0.761 6.984 1.00 0.00 N ATOM 1291 CA SER A 84 -3.466 0.313 6.479 1.00 0.00 C ATOM 1292 C SER A 84 -2.922 1.311 5.470 1.00 0.00 C ATOM 1293 O SER A 84 -1.809 1.818 5.608 1.00 0.00 O ATOM 1294 CB SER A 84 -3.666 -1.044 5.818 1.00 0.00 C ATOM 1295 OG SER A 84 -4.041 -2.021 6.772 1.00 0.00 O ATOM 0 H SER A 84 -5.502 0.096 6.835 1.00 0.00 H new ATOM 0 HA SER A 84 -2.749 0.231 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.434 -0.968 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.745 -1.350 5.321 1.00 0.00 H new ATOM 0 HG SER A 84 -4.522 -2.748 6.324 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.729 1.582 4.454 1.00 0.00 N ATOM 1302 CA LEU A 85 -3.377 2.530 3.420 1.00 0.00 C ATOM 1303 C LEU A 85 -3.145 3.916 4.023 1.00 0.00 C ATOM 1304 O LEU A 85 -2.261 4.657 3.594 1.00 0.00 O ATOM 1305 CB LEU A 85 -4.498 2.532 2.383 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.632 1.222 1.604 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -5.556 1.385 0.408 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -3.269 0.732 1.159 1.00 0.00 C ATOM 0 H LEU A 85 -4.644 1.149 4.328 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.444 2.245 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.442 2.742 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.325 3.345 1.678 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.073 0.478 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.631 0.437 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.545 1.688 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.155 2.147 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.380 -0.201 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.805 1.481 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.640 0.563 2.033 1.00 0.00 H new ATOM 1320 N MET A 86 -3.950 4.249 5.022 1.00 0.00 N ATOM 1321 CA MET A 86 -3.816 5.518 5.727 1.00 0.00 C ATOM 1322 C MET A 86 -2.486 5.525 6.474 1.00 0.00 C ATOM 1323 O MET A 86 -1.716 6.484 6.409 1.00 0.00 O ATOM 1324 CB MET A 86 -4.974 5.709 6.710 1.00 0.00 C ATOM 1325 CG MET A 86 -6.345 5.692 6.051 1.00 0.00 C ATOM 1326 SD MET A 86 -7.094 7.328 5.963 1.00 0.00 S ATOM 1327 CE MET A 86 -5.777 8.261 5.191 1.00 0.00 C ATOM 0 H MET A 86 -4.706 3.656 5.364 1.00 0.00 H new ATOM 0 HA MET A 86 -3.842 6.338 5.010 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.933 4.922 7.463 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.843 6.657 7.232 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.255 5.284 5.044 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.003 5.025 6.608 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.121 9.275 4.987 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.916 8.297 5.859 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.490 7.780 4.256 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.230 4.409 7.157 1.00 0.00 N ATOM 1338 CA ASP A 87 -1.010 4.188 7.938 1.00 0.00 C ATOM 1339 C ASP A 87 0.239 4.050 7.063 1.00 0.00 C ATOM 1340 O ASP A 87 1.351 3.928 7.578 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.166 2.915 8.757 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.258 3.025 9.804 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.017 4.017 9.767 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -2.353 2.121 10.660 1.00 0.00 O ATOM 0 H ASP A 87 -2.875 3.619 7.184 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.876 5.062 8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.390 2.083 8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.220 2.684 9.247 1.00 0.00 H new ATOM 1349 N ALA A 88 0.058 4.069 5.751 1.00 0.00 N ATOM 1350 CA ALA A 88 1.161 3.890 4.822 1.00 0.00 C ATOM 1351 C ALA A 88 2.127 5.077 4.797 1.00 0.00 C ATOM 1352 O ALA A 88 3.323 4.893 4.573 1.00 0.00 O ATOM 1353 CB ALA A 88 0.602 3.622 3.440 1.00 0.00 C ATOM 0 H ALA A 88 -0.849 4.208 5.305 1.00 0.00 H new ATOM 0 HA ALA A 88 1.748 3.038 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.423 3.486 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.009 2.720 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.010 4.467 3.125 1.00 0.00 H new ATOM 1359 N ALA A 89 1.625 6.293 5.025 1.00 0.00 N ATOM 1360 CA ALA A 89 2.491 7.472 5.002 1.00 0.00 C ATOM 1361 C ALA A 89 1.928 8.632 5.824 1.00 0.00 C ATOM 1362 O ALA A 89 2.310 8.827 6.977 1.00 0.00 O ATOM 1363 CB ALA A 89 2.726 7.922 3.565 1.00 0.00 C ATOM 0 H ALA A 89 0.643 6.485 5.224 1.00 0.00 H new ATOM 0 HA ALA A 89 3.437 7.181 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.372 8.800 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.203 7.117 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.772 8.171 3.101 1.00 0.00 H new ATOM 1369 N ASP A 90 1.018 9.396 5.228 1.00 0.00 N ATOM 1370 CA ASP A 90 0.430 10.544 5.907 1.00 0.00 C ATOM 1371 C ASP A 90 -0.825 10.106 6.653 1.00 0.00 C ATOM 1372 O ASP A 90 -1.948 10.403 6.248 1.00 0.00 O ATOM 1373 CB ASP A 90 0.126 11.662 4.913 1.00 0.00 C ATOM 1374 CG ASP A 90 0.571 13.017 5.427 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -0.158 13.609 6.247 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.654 13.482 5.015 1.00 0.00 O ATOM 0 H ASP A 90 0.673 9.242 4.281 1.00 0.00 H new ATOM 0 HA ASP A 90 1.144 10.939 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.625 11.452 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.945 11.685 4.710 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.608 9.394 7.748 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.705 8.848 8.552 1.00 0.00 C ATOM 1383 C ASN A 91 -2.117 9.764 9.698 1.00 0.00 C ATOM 1384 O ASN A 91 -3.257 10.226 9.758 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.351 7.459 9.116 1.00 0.00 C ATOM 1386 CG ASN A 91 0.137 7.152 9.094 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.616 6.624 7.972 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 0.847 7.391 10.072 1.00 0.00 N flip ATOM 0 H ASN A 91 0.322 9.177 8.107 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.552 8.762 7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.712 7.391 10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.879 6.698 8.541 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.437 7.797 10.913 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.845 7.183 10.041 1.00 0.00 H new ATOM 1395 N ASP A 92 -1.186 10.023 10.605 1.00 0.00 N ATOM 1396 CA ASP A 92 -1.468 10.842 11.778 1.00 0.00 C ATOM 1397 C ASP A 92 -1.431 12.340 11.485 1.00 0.00 C ATOM 1398 O ASP A 92 -1.390 13.144 12.414 1.00 0.00 O ATOM 1399 CB ASP A 92 -0.473 10.512 12.892 1.00 0.00 C ATOM 1400 CG ASP A 92 -0.797 11.230 14.188 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -1.625 10.709 14.964 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -0.221 12.313 14.427 1.00 0.00 O ATOM 0 H ASP A 92 -0.228 9.678 10.552 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.484 10.604 12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.471 9.436 13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.532 10.785 12.570 1.00 0.00 H new ATOM 1407 N GLY A 93 -1.445 12.733 10.212 1.00 0.00 N ATOM 1408 CA GLY A 93 -1.414 14.149 9.902 1.00 0.00 C ATOM 1409 C GLY A 93 -2.446 14.570 8.871 1.00 0.00 C ATOM 1410 O GLY A 93 -3.588 14.879 9.213 1.00 0.00 O ATOM 0 H GLY A 93 -1.477 12.109 9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.576 14.716 10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.421 14.410 9.537 1.00 0.00 H new ATOM 1414 N ASP A 94 -2.041 14.582 7.604 1.00 0.00 N ATOM 1415 CA ASP A 94 -2.919 15.002 6.515 1.00 0.00 C ATOM 1416 C ASP A 94 -3.927 13.923 6.130 1.00 0.00 C ATOM 1417 O ASP A 94 -5.134 14.169 6.107 1.00 0.00 O ATOM 1418 CB ASP A 94 -2.094 15.396 5.290 1.00 0.00 C ATOM 1419 CG ASP A 94 -2.943 16.003 4.190 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -3.514 15.235 3.388 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -3.038 17.247 4.131 1.00 0.00 O ATOM 0 H ASP A 94 -1.106 14.304 7.305 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.481 15.864 6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.326 16.110 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.579 14.516 4.904 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.430 12.726 5.829 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.308 11.642 5.422 1.00 0.00 C ATOM 1428 C GLY A 95 -4.137 11.275 3.958 1.00 0.00 C ATOM 1429 O GLY A 95 -4.937 10.519 3.405 1.00 0.00 O ATOM 0 H GLY A 95 -2.439 12.488 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.108 10.766 6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.344 11.930 5.603 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.088 11.806 3.327 1.00 0.00 N ATOM 1434 CA LYS A 96 -2.813 11.522 1.923 1.00 0.00 C ATOM 1435 C LYS A 96 -1.641 10.541 1.815 1.00 0.00 C ATOM 1436 O LYS A 96 -0.796 10.470 2.704 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.523 12.843 1.147 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.165 12.913 0.436 1.00 0.00 C ATOM 1439 CD LYS A 96 0.020 13.048 1.389 1.00 0.00 C ATOM 1440 CE LYS A 96 -0.278 13.972 2.562 1.00 0.00 C ATOM 1441 NZ LYS A 96 -0.635 15.345 2.110 1.00 0.00 N ATOM 0 H LYS A 96 -2.417 12.435 3.769 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.690 11.060 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.309 12.987 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.589 13.676 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.034 12.015 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.167 13.760 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.292 12.063 1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.882 13.428 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.097 13.559 3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.592 14.020 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.328 16.036 2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.162 15.547 1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.665 15.412 1.984 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.610 9.789 0.727 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.533 8.853 0.475 1.00 0.00 C ATOM 1457 C ILE A 97 -0.061 8.968 -0.961 1.00 0.00 C ATOM 1458 O ILE A 97 -0.802 8.644 -1.874 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.913 7.384 0.675 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.665 7.147 1.974 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.355 6.553 0.642 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.855 7.425 3.219 1.00 0.00 C ATOM 0 H ILE A 97 -2.326 9.811 0.001 1.00 0.00 H new ATOM 0 HA ILE A 97 0.235 9.122 1.200 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.588 7.091 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.555 7.776 1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.006 6.112 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.105 5.502 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.850 6.682 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.023 6.877 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.465 7.231 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.022 6.777 3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.536 8.467 3.220 1.00 0.00 H new ATOM 1474 N GLY A 98 1.120 9.518 -1.155 1.00 0.00 N ATOM 1475 CA GLY A 98 1.702 9.607 -2.476 1.00 0.00 C ATOM 1476 C GLY A 98 2.992 8.817 -2.547 1.00 0.00 C ATOM 1477 O GLY A 98 3.502 8.379 -1.522 1.00 0.00 O ATOM 0 H GLY A 98 1.696 9.911 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.997 9.228 -3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.895 10.651 -2.724 1.00 0.00 H new ATOM 1481 N ALA A 99 3.522 8.620 -3.742 1.00 0.00 N ATOM 1482 CA ALA A 99 4.761 7.863 -3.885 1.00 0.00 C ATOM 1483 C ALA A 99 5.835 8.437 -2.961 1.00 0.00 C ATOM 1484 O ALA A 99 6.524 7.701 -2.256 1.00 0.00 O ATOM 1485 CB ALA A 99 5.226 7.876 -5.332 1.00 0.00 C ATOM 0 H ALA A 99 3.125 8.966 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 99 4.578 6.827 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.151 7.307 -5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.461 7.426 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.400 8.904 -5.649 1.00 0.00 H new ATOM 1491 N ASP A 100 5.964 9.758 -2.977 1.00 0.00 N ATOM 1492 CA ASP A 100 6.928 10.447 -2.124 1.00 0.00 C ATOM 1493 C ASP A 100 6.607 10.215 -0.647 1.00 0.00 C ATOM 1494 O ASP A 100 7.473 9.800 0.122 1.00 0.00 O ATOM 1495 CB ASP A 100 6.939 11.944 -2.433 1.00 0.00 C ATOM 1496 CG ASP A 100 7.334 12.234 -3.867 1.00 0.00 C ATOM 1497 OD1 ASP A 100 8.544 12.390 -4.130 1.00 0.00 O ATOM 1498 OD2 ASP A 100 6.431 12.307 -4.727 1.00 0.00 O ATOM 0 H ASP A 100 5.412 10.376 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 100 7.918 10.039 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.950 12.359 -2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.633 12.446 -1.759 1.00 0.00 H new ATOM 1503 N GLU A 101 5.359 10.472 -0.254 1.00 0.00 N ATOM 1504 CA GLU A 101 4.945 10.270 1.130 1.00 0.00 C ATOM 1505 C GLU A 101 5.159 8.808 1.507 1.00 0.00 C ATOM 1506 O GLU A 101 5.767 8.499 2.530 1.00 0.00 O ATOM 1507 CB GLU A 101 3.470 10.662 1.298 1.00 0.00 C ATOM 1508 CG GLU A 101 3.229 11.944 2.084 1.00 0.00 C ATOM 1509 CD GLU A 101 4.327 12.981 1.917 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.685 13.287 0.761 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.827 13.484 2.946 1.00 0.00 O ATOM 0 H GLU A 101 4.624 10.818 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 101 5.543 10.899 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.024 10.771 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.947 9.845 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.280 12.379 1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.132 11.698 3.141 1.00 0.00 H new ATOM 1518 N PHE A 102 4.649 7.919 0.664 1.00 0.00 N ATOM 1519 CA PHE A 102 4.804 6.486 0.858 1.00 0.00 C ATOM 1520 C PHE A 102 6.282 6.110 0.995 1.00 0.00 C ATOM 1521 O PHE A 102 6.675 5.434 1.945 1.00 0.00 O ATOM 1522 CB PHE A 102 4.175 5.724 -0.309 1.00 0.00 C ATOM 1523 CG PHE A 102 4.262 4.245 -0.117 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.476 3.604 -0.237 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.140 3.500 0.208 1.00 0.00 C ATOM 1526 CE1 PHE A 102 5.580 2.249 -0.040 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.234 2.137 0.402 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.459 1.510 0.279 1.00 0.00 C ATOM 0 H PHE A 102 4.119 8.171 -0.170 1.00 0.00 H new ATOM 0 HA PHE A 102 4.293 6.210 1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.130 6.016 -0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.677 6.000 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.357 4.175 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.183 3.990 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.539 1.762 -0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.353 1.563 0.649 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.539 0.444 0.432 1.00 0.00 H new ATOM 1538 N GLN A 103 7.096 6.559 0.038 1.00 0.00 N ATOM 1539 CA GLN A 103 8.529 6.253 0.036 1.00 0.00 C ATOM 1540 C GLN A 103 9.247 6.865 1.242 1.00 0.00 C ATOM 1541 O GLN A 103 10.003 6.188 1.938 1.00 0.00 O ATOM 1542 CB GLN A 103 9.172 6.691 -1.291 1.00 0.00 C ATOM 1543 CG GLN A 103 9.691 8.097 -1.301 1.00 0.00 C ATOM 1544 CD GLN A 103 10.484 8.438 -2.552 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.141 7.810 -3.675 1.00 0.00 O flip ATOM 1546 NE2 GLN A 103 11.398 9.262 -2.511 1.00 0.00 N flip ATOM 0 H GLN A 103 6.788 7.135 -0.745 1.00 0.00 H new ATOM 0 HA GLN A 103 8.639 5.172 0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.994 6.013 -1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.437 6.584 -2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.852 8.787 -1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 103 10.323 8.250 -0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.631 9.722 -1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.922 9.485 -3.357 1.00 0.00 H new ATOM 1555 N GLU A 104 9.001 8.150 1.481 1.00 0.00 N ATOM 1556 CA GLU A 104 9.636 8.851 2.591 1.00 0.00 C ATOM 1557 C GLU A 104 9.371 8.116 3.900 1.00 0.00 C ATOM 1558 O GLU A 104 10.243 8.022 4.762 1.00 0.00 O ATOM 1559 CB GLU A 104 9.151 10.312 2.648 1.00 0.00 C ATOM 1560 CG GLU A 104 8.064 10.594 3.673 1.00 0.00 C ATOM 1561 CD GLU A 104 7.692 12.061 3.739 1.00 0.00 C ATOM 1562 OE1 GLU A 104 7.056 12.555 2.786 1.00 0.00 O ATOM 1563 OE2 GLU A 104 8.037 12.717 4.745 1.00 0.00 O ATOM 0 H GLU A 104 8.369 8.724 0.923 1.00 0.00 H new ATOM 0 HA GLU A 104 10.715 8.868 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.006 10.954 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.781 10.594 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.178 10.009 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.402 10.264 4.655 1.00 0.00 H new ATOM 1570 N MET A 105 8.159 7.605 4.038 1.00 0.00 N ATOM 1571 CA MET A 105 7.781 6.865 5.232 1.00 0.00 C ATOM 1572 C MET A 105 8.704 5.665 5.427 1.00 0.00 C ATOM 1573 O MET A 105 9.411 5.569 6.429 1.00 0.00 O ATOM 1574 CB MET A 105 6.331 6.398 5.133 1.00 0.00 C ATOM 1575 CG MET A 105 5.685 6.148 6.485 1.00 0.00 C ATOM 1576 SD MET A 105 6.477 4.815 7.405 1.00 0.00 S ATOM 1577 CE MET A 105 5.426 4.746 8.852 1.00 0.00 C ATOM 0 H MET A 105 7.420 7.688 3.340 1.00 0.00 H new ATOM 0 HA MET A 105 7.878 7.527 6.092 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.751 7.148 4.595 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.291 5.481 4.544 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.724 7.063 7.076 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.632 5.907 6.340 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.784 3.967 9.525 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.450 5.707 9.365 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.403 4.522 8.549 1.00 0.00 H new ATOM 1587 N VAL A 106 8.689 4.752 4.460 1.00 0.00 N ATOM 1588 CA VAL A 106 9.522 3.560 4.520 1.00 0.00 C ATOM 1589 C VAL A 106 11.007 3.902 4.446 1.00 0.00 C ATOM 1590 O VAL A 106 11.843 3.214 5.031 1.00 0.00 O ATOM 1591 CB VAL A 106 9.165 2.562 3.403 1.00 0.00 C ATOM 1592 CG1 VAL A 106 9.660 3.037 2.040 1.00 0.00 C ATOM 1593 CG2 VAL A 106 9.726 1.194 3.749 1.00 0.00 C ATOM 0 H VAL A 106 8.107 4.817 3.625 1.00 0.00 H new ATOM 0 HA VAL A 106 9.322 3.093 5.484 1.00 0.00 H new ATOM 0 HB VAL A 106 8.079 2.493 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.388 2.305 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.202 3.997 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.744 3.149 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 106 9.474 0.487 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.810 1.259 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 106 9.298 0.853 4.691 1.00 0.00 H new ATOM 1603 N HIS A 107 11.327 4.968 3.724 1.00 0.00 N ATOM 1604 CA HIS A 107 12.712 5.399 3.567 1.00 0.00 C ATOM 1605 C HIS A 107 13.193 6.175 4.789 1.00 0.00 C ATOM 1606 O HIS A 107 14.395 6.281 5.034 1.00 0.00 O ATOM 1607 CB HIS A 107 12.855 6.269 2.319 1.00 0.00 C ATOM 1608 CG HIS A 107 14.266 6.685 2.040 1.00 0.00 C ATOM 1609 ND1 HIS A 107 14.732 7.961 2.270 1.00 0.00 N ATOM 1610 CD2 HIS A 107 15.315 5.985 1.547 1.00 0.00 C ATOM 1611 CE1 HIS A 107 16.008 8.030 1.930 1.00 0.00 C ATOM 1612 NE2 HIS A 107 16.385 6.844 1.490 1.00 0.00 N ATOM 0 H HIS A 107 10.646 5.551 3.237 1.00 0.00 H new ATOM 0 HA HIS A 107 13.328 4.506 3.462 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.469 5.723 1.459 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.238 7.160 2.434 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.311 4.946 1.254 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.635 8.907 2.000 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.320 6.604 1.161 1.00 0.00 H new ATOM 1621 N SER A 108 12.250 6.717 5.554 1.00 0.00 N ATOM 1622 CA SER A 108 12.586 7.488 6.745 1.00 0.00 C ATOM 1623 C SER A 108 13.573 6.732 7.629 1.00 0.00 C ATOM 1624 O SER A 108 13.117 5.957 8.496 1.00 0.00 O ATOM 1625 CB SER A 108 11.322 7.818 7.539 1.00 0.00 C ATOM 1626 OG SER A 108 11.632 8.537 8.720 1.00 0.00 O ATOM 1627 OXT SER A 108 14.795 6.923 7.446 1.00 0.00 O ATOM 0 H SER A 108 11.250 6.637 5.371 1.00 0.00 H new ATOM 0 HA SER A 108 13.057 8.416 6.421 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.644 8.405 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.801 6.896 7.797 1.00 0.00 H new ATOM 0 HG SER A 108 10.806 8.736 9.208 1.00 0.00 H new