USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 726 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 Single : A 4 THR OG1 : rot 151:sc= -0.358 USER MOD Single : A 12 THR OG1 : rot 5:sc= -0.106 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -160:sc= -4.7! USER MOD Single : A 21 GLN : amide:sc= -1.02 K(o=-1,f=-2) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00112 USER MOD Single : A 34 LYS NZ :NH3+ -113:sc=-0.000149 (180deg=-0.0224) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 91:sc= 0.678 USER MOD Single : A 43 ASN : amide:sc= -0.175 K(o=-0.18,f=-0.82) USER MOD Single : A 50 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0252) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.264) USER MOD Single : A 81 ASN : amide:sc= 0.359 X(o=0.36,f=0) USER MOD Single : A 84 HIS : no HE2:sc= -1.97! C(o=-2!,f=-4.5!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-3.3!) USER MOD Single : A 123 SER OG : rot 22:sc= 0.72 USER MOD Single : A 125 SER OG : rot -69:sc= 1.27 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot -172:sc= -1.48! USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -18.388 -10.580 9.136 1.00 0.00 N ATOM 32 CA GLY A 3 -17.056 -11.103 9.550 1.00 0.00 C ATOM 33 C GLY A 3 -16.028 -9.969 9.579 1.00 0.00 C ATOM 34 O GLY A 3 -15.702 -9.435 10.624 1.00 0.00 O ATOM 0 HA2 GLY A 3 -17.128 -11.563 10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -16.731 -11.880 8.858 1.00 0.00 H new ATOM 38 N THR A 4 -15.508 -9.589 8.443 1.00 0.00 N ATOM 39 CA THR A 4 -14.494 -8.495 8.439 1.00 0.00 C ATOM 40 C THR A 4 -14.519 -7.675 7.153 1.00 0.00 C ATOM 41 O THR A 4 -14.566 -8.191 6.062 1.00 0.00 O ATOM 42 CB THR A 4 -13.143 -9.196 8.582 1.00 0.00 C ATOM 43 OG1 THR A 4 -13.150 -9.999 9.754 1.00 0.00 O ATOM 44 CG2 THR A 4 -12.034 -8.144 8.685 1.00 0.00 C ATOM 0 H THR A 4 -15.737 -9.982 7.530 1.00 0.00 H new ATOM 0 HA THR A 4 -14.696 -7.789 9.245 1.00 0.00 H new ATOM 0 HB THR A 4 -12.963 -9.828 7.712 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.553 -10.766 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.069 -8.641 8.787 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.032 -7.529 7.785 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.211 -7.513 9.556 1.00 0.00 H new ATOM 52 N LEU A 5 -14.457 -6.386 7.283 1.00 0.00 N ATOM 53 CA LEU A 5 -14.429 -5.520 6.083 1.00 0.00 C ATOM 54 C LEU A 5 -13.235 -4.578 6.204 1.00 0.00 C ATOM 55 O LEU A 5 -12.985 -4.028 7.257 1.00 0.00 O ATOM 56 CB LEU A 5 -15.767 -4.755 6.102 1.00 0.00 C ATOM 57 CG LEU A 5 -15.704 -3.453 5.271 1.00 0.00 C ATOM 58 CD1 LEU A 5 -15.018 -2.346 6.085 1.00 0.00 C ATOM 59 CD2 LEU A 5 -14.977 -3.675 3.945 1.00 0.00 C ATOM 0 H LEU A 5 -14.424 -5.892 8.175 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.321 -6.068 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.557 -5.397 5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.032 -4.515 7.132 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.724 -3.145 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.977 -1.432 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.584 -2.162 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.006 -2.658 6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.950 -2.741 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.959 -4.011 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.504 -4.432 3.364 1.00 0.00 H new ATOM 71 N LEU A 6 -12.507 -4.352 5.151 1.00 0.00 N ATOM 72 CA LEU A 6 -11.365 -3.411 5.268 1.00 0.00 C ATOM 73 C LEU A 6 -11.403 -2.388 4.134 1.00 0.00 C ATOM 74 O LEU A 6 -11.604 -2.718 2.985 1.00 0.00 O ATOM 75 CB LEU A 6 -10.108 -4.285 5.214 1.00 0.00 C ATOM 76 CG LEU A 6 -9.307 -4.045 6.494 1.00 0.00 C ATOM 77 CD1 LEU A 6 -10.106 -4.566 7.688 1.00 0.00 C ATOM 78 CD2 LEU A 6 -7.964 -4.769 6.443 1.00 0.00 C ATOM 0 H LEU A 6 -12.649 -4.769 4.231 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.393 -2.834 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.379 -5.337 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.509 -4.036 4.338 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.123 -2.975 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.541 -4.398 8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.058 -4.038 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.290 -5.633 7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.414 -4.582 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.132 -5.840 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.385 -4.403 5.595 1.00 0.00 H new ATOM 90 N ALA A 7 -11.213 -1.139 4.460 1.00 0.00 N ATOM 91 CA ALA A 7 -11.237 -0.081 3.416 1.00 0.00 C ATOM 92 C ALA A 7 -9.897 0.641 3.405 1.00 0.00 C ATOM 93 O ALA A 7 -9.446 1.147 4.412 1.00 0.00 O ATOM 94 CB ALA A 7 -12.366 0.866 3.833 1.00 0.00 C ATOM 0 H ALA A 7 -11.042 -0.806 5.409 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.402 -0.476 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.447 1.677 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -13.307 0.317 3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.149 1.279 4.818 1.00 0.00 H new ATOM 100 N PHE A 8 -9.251 0.685 2.279 1.00 0.00 N ATOM 101 CA PHE A 8 -7.936 1.359 2.209 1.00 0.00 C ATOM 102 C PHE A 8 -8.045 2.679 1.443 1.00 0.00 C ATOM 103 O PHE A 8 -8.799 2.807 0.501 1.00 0.00 O ATOM 104 CB PHE A 8 -7.012 0.413 1.423 1.00 0.00 C ATOM 105 CG PHE A 8 -7.137 -1.032 1.874 1.00 0.00 C ATOM 106 CD1 PHE A 8 -7.571 -1.349 3.166 1.00 0.00 C ATOM 107 CD2 PHE A 8 -6.793 -2.059 0.986 1.00 0.00 C ATOM 108 CE1 PHE A 8 -7.662 -2.685 3.568 1.00 0.00 C ATOM 109 CE2 PHE A 8 -6.882 -3.396 1.388 1.00 0.00 C ATOM 110 CZ PHE A 8 -7.315 -3.710 2.680 1.00 0.00 C ATOM 0 H PHE A 8 -9.580 0.281 1.402 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.563 1.575 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.248 0.480 0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.979 0.739 1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.836 -0.560 3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.458 -1.818 -0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.000 -2.926 4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.616 -4.185 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.382 -4.742 2.992 1.00 0.00 H new ATOM 120 N ASP A 9 -7.265 3.648 1.816 1.00 0.00 N ATOM 121 CA ASP A 9 -7.281 4.941 1.082 1.00 0.00 C ATOM 122 C ASP A 9 -5.843 5.285 0.729 1.00 0.00 C ATOM 123 O ASP A 9 -5.118 5.869 1.518 1.00 0.00 O ATOM 124 CB ASP A 9 -7.859 5.964 2.057 1.00 0.00 C ATOM 125 CG ASP A 9 -8.488 7.118 1.271 1.00 0.00 C ATOM 126 OD1 ASP A 9 -7.917 7.504 0.265 1.00 0.00 O ATOM 127 OD2 ASP A 9 -9.529 7.595 1.690 1.00 0.00 O ATOM 0 H ASP A 9 -6.614 3.602 2.600 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.870 4.914 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.608 5.493 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.074 6.341 2.713 1.00 0.00 H new ATOM 132 N PHE A 10 -5.396 4.902 -0.437 1.00 0.00 N ATOM 133 CA PHE A 10 -3.983 5.194 -0.784 1.00 0.00 C ATOM 134 C PHE A 10 -3.647 4.820 -2.227 1.00 0.00 C ATOM 135 O PHE A 10 -4.514 4.594 -3.062 1.00 0.00 O ATOM 136 CB PHE A 10 -3.162 4.351 0.209 1.00 0.00 C ATOM 137 CG PHE A 10 -3.019 2.904 -0.253 1.00 0.00 C ATOM 138 CD1 PHE A 10 -4.008 1.964 0.072 1.00 0.00 C ATOM 139 CD2 PHE A 10 -1.890 2.498 -0.984 1.00 0.00 C ATOM 140 CE1 PHE A 10 -3.869 0.629 -0.336 1.00 0.00 C ATOM 141 CE2 PHE A 10 -1.753 1.165 -1.383 1.00 0.00 C ATOM 142 CZ PHE A 10 -2.740 0.234 -1.061 1.00 0.00 C ATOM 0 H PHE A 10 -5.937 4.410 -1.148 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.768 6.260 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.173 4.793 0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.642 4.374 1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.877 2.268 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.126 3.218 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.633 -0.093 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.882 0.856 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.632 -0.795 -1.372 1.00 0.00 H new ATOM 152 N GLY A 11 -2.369 4.756 -2.501 1.00 0.00 N ATOM 153 CA GLY A 11 -1.890 4.402 -3.862 1.00 0.00 C ATOM 154 C GLY A 11 -0.365 4.531 -3.894 1.00 0.00 C ATOM 155 O GLY A 11 0.220 5.256 -3.113 1.00 0.00 O ATOM 0 H GLY A 11 -1.628 4.938 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.189 3.385 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.341 5.061 -4.604 1.00 0.00 H new ATOM 159 N THR A 12 0.279 3.836 -4.794 1.00 0.00 N ATOM 160 CA THR A 12 1.772 3.911 -4.899 1.00 0.00 C ATOM 161 C THR A 12 2.438 3.837 -3.513 1.00 0.00 C ATOM 162 O THR A 12 1.975 3.141 -2.631 1.00 0.00 O ATOM 163 CB THR A 12 2.051 5.253 -5.582 1.00 0.00 C ATOM 164 OG1 THR A 12 1.650 6.316 -4.729 1.00 0.00 O ATOM 165 CG2 THR A 12 1.268 5.323 -6.894 1.00 0.00 C ATOM 0 H THR A 12 -0.166 3.213 -5.468 1.00 0.00 H new ATOM 0 HA THR A 12 2.183 3.074 -5.463 1.00 0.00 H new ATOM 0 HB THR A 12 3.118 5.343 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.366 5.952 -3.865 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.463 6.277 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.580 4.509 -7.548 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.202 5.234 -6.687 1.00 0.00 H new ATOM 173 N LYS A 13 3.532 4.534 -3.320 1.00 0.00 N ATOM 174 CA LYS A 13 4.238 4.486 -1.999 1.00 0.00 C ATOM 175 C LYS A 13 3.521 5.338 -0.943 1.00 0.00 C ATOM 176 O LYS A 13 4.127 6.164 -0.290 1.00 0.00 O ATOM 177 CB LYS A 13 5.625 5.063 -2.282 1.00 0.00 C ATOM 178 CG LYS A 13 5.487 6.508 -2.764 1.00 0.00 C ATOM 179 CD LYS A 13 6.366 6.723 -3.997 1.00 0.00 C ATOM 180 CE LYS A 13 7.835 6.500 -3.626 1.00 0.00 C ATOM 181 NZ LYS A 13 8.578 6.611 -4.912 1.00 0.00 N ATOM 0 H LYS A 13 3.967 5.135 -4.020 1.00 0.00 H new ATOM 0 HA LYS A 13 4.271 3.472 -1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.237 5.026 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.133 4.463 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.446 6.724 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.780 7.196 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.072 6.035 -4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.227 7.733 -4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.178 7.244 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.982 5.522 -3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.594 6.470 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.235 5.886 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.425 7.555 -5.321 1.00 0.00 H new ATOM 195 N SER A 14 2.246 5.144 -0.765 1.00 0.00 N ATOM 196 CA SER A 14 1.503 5.941 0.254 1.00 0.00 C ATOM 197 C SER A 14 0.475 5.040 0.958 1.00 0.00 C ATOM 198 O SER A 14 -0.278 4.353 0.313 1.00 0.00 O ATOM 199 CB SER A 14 0.823 7.049 -0.560 1.00 0.00 C ATOM 200 OG SER A 14 -0.535 6.702 -0.811 1.00 0.00 O ATOM 0 H SER A 14 1.683 4.467 -1.281 1.00 0.00 H new ATOM 0 HA SER A 14 2.139 6.353 1.037 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.872 7.993 -0.017 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.350 7.195 -1.503 1.00 0.00 H new ATOM 0 HG SER A 14 -0.871 7.223 -1.570 1.00 0.00 H new ATOM 206 N ILE A 15 0.475 5.011 2.266 1.00 0.00 N ATOM 207 CA ILE A 15 -0.501 4.114 3.017 1.00 0.00 C ATOM 208 C ILE A 15 -1.377 4.847 4.081 1.00 0.00 C ATOM 209 O ILE A 15 -0.972 5.059 5.219 1.00 0.00 O ATOM 210 CB ILE A 15 0.390 3.092 3.711 1.00 0.00 C ATOM 211 CG1 ILE A 15 1.210 2.330 2.660 1.00 0.00 C ATOM 212 CG2 ILE A 15 -0.482 2.111 4.501 1.00 0.00 C ATOM 213 CD1 ILE A 15 0.278 1.498 1.763 1.00 0.00 C ATOM 0 H ILE A 15 1.099 5.560 2.858 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.223 3.693 2.317 1.00 0.00 H new ATOM 0 HB ILE A 15 1.069 3.602 4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.780 3.033 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.931 1.678 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.154 1.379 4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.059 2.657 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.162 1.599 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.870 0.962 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.272 0.783 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.425 2.159 1.257 1.00 0.00 H new ATOM 225 N GLY A 16 -2.583 5.193 3.744 1.00 0.00 N ATOM 226 CA GLY A 16 -3.488 5.835 4.746 1.00 0.00 C ATOM 227 C GLY A 16 -4.749 5.001 4.685 1.00 0.00 C ATOM 228 O GLY A 16 -5.466 5.069 3.707 1.00 0.00 O ATOM 0 H GLY A 16 -2.988 5.061 2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.050 5.825 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.686 6.877 4.496 1.00 0.00 H new ATOM 232 N VAL A 17 -5.006 4.132 5.639 1.00 0.00 N ATOM 233 CA VAL A 17 -6.207 3.264 5.424 1.00 0.00 C ATOM 234 C VAL A 17 -7.036 2.965 6.691 1.00 0.00 C ATOM 235 O VAL A 17 -6.635 3.223 7.808 1.00 0.00 O ATOM 236 CB VAL A 17 -5.673 1.973 4.708 1.00 0.00 C ATOM 237 CG1 VAL A 17 -4.148 1.790 4.834 1.00 0.00 C ATOM 238 CG2 VAL A 17 -6.365 0.722 5.247 1.00 0.00 C ATOM 0 H VAL A 17 -4.477 3.991 6.500 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.938 3.791 4.810 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.906 2.110 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.847 0.879 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.641 2.645 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.876 1.716 5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.977 -0.158 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.174 0.633 6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.439 0.798 5.075 1.00 0.00 H new ATOM 248 N ALA A 18 -8.214 2.412 6.467 1.00 0.00 N ATOM 249 CA ALA A 18 -9.155 2.052 7.571 1.00 0.00 C ATOM 250 C ALA A 18 -9.392 0.535 7.603 1.00 0.00 C ATOM 251 O ALA A 18 -9.487 -0.115 6.580 1.00 0.00 O ATOM 252 CB ALA A 18 -10.462 2.744 7.199 1.00 0.00 C ATOM 0 H ALA A 18 -8.565 2.192 5.535 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.768 2.349 8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.214 2.533 7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.299 3.820 7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.808 2.374 6.234 1.00 0.00 H new ATOM 258 N VAL A 19 -9.532 -0.013 8.771 1.00 0.00 N ATOM 259 CA VAL A 19 -9.818 -1.473 8.912 1.00 0.00 C ATOM 260 C VAL A 19 -11.221 -1.578 9.512 1.00 0.00 C ATOM 261 O VAL A 19 -11.478 -0.989 10.531 1.00 0.00 O ATOM 262 CB VAL A 19 -8.774 -1.959 9.910 1.00 0.00 C ATOM 263 CG1 VAL A 19 -8.886 -3.468 10.121 1.00 0.00 C ATOM 264 CG2 VAL A 19 -7.367 -1.614 9.403 1.00 0.00 C ATOM 0 H VAL A 19 -9.460 0.493 9.654 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.778 -2.046 7.986 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.952 -1.460 10.862 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.131 -3.792 10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.877 -3.709 10.505 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.730 -3.981 9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.625 -1.964 10.121 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.198 -2.098 8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.277 -0.534 9.286 1.00 0.00 H new ATOM 274 N GLY A 20 -12.150 -2.261 8.898 1.00 0.00 N ATOM 275 CA GLY A 20 -13.517 -2.286 9.481 1.00 0.00 C ATOM 276 C GLY A 20 -13.872 -3.653 10.045 1.00 0.00 C ATOM 277 O GLY A 20 -13.595 -4.685 9.469 1.00 0.00 O ATOM 0 H GLY A 20 -12.024 -2.792 8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.588 -1.539 10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.242 -2.010 8.716 1.00 0.00 H new ATOM 281 N GLN A 21 -14.533 -3.651 11.163 1.00 0.00 N ATOM 282 CA GLN A 21 -14.973 -4.932 11.771 1.00 0.00 C ATOM 283 C GLN A 21 -16.410 -5.173 11.320 1.00 0.00 C ATOM 284 O GLN A 21 -17.297 -4.395 11.630 1.00 0.00 O ATOM 285 CB GLN A 21 -14.905 -4.711 13.284 1.00 0.00 C ATOM 286 CG GLN A 21 -13.485 -4.992 13.783 1.00 0.00 C ATOM 287 CD GLN A 21 -12.513 -3.994 13.153 1.00 0.00 C ATOM 288 OE1 GLN A 21 -11.769 -4.338 12.255 1.00 0.00 O ATOM 289 NE2 GLN A 21 -12.484 -2.766 13.590 1.00 0.00 N ATOM 0 H GLN A 21 -14.789 -2.813 11.685 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.365 -5.790 11.485 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -15.189 -3.687 13.525 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.615 -5.366 13.789 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.448 -4.914 14.870 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.193 -6.010 13.526 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.108 -2.478 14.343 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.837 -2.093 13.178 1.00 0.00 H new ATOM 298 N ARG A 22 -16.647 -6.217 10.564 1.00 0.00 N ATOM 299 CA ARG A 22 -18.027 -6.473 10.065 1.00 0.00 C ATOM 300 C ARG A 22 -18.807 -7.347 11.048 1.00 0.00 C ATOM 301 O ARG A 22 -19.762 -8.007 10.687 1.00 0.00 O ATOM 302 CB ARG A 22 -17.828 -7.175 8.721 1.00 0.00 C ATOM 303 CG ARG A 22 -19.177 -7.349 8.021 1.00 0.00 C ATOM 304 CD ARG A 22 -19.236 -6.421 6.805 1.00 0.00 C ATOM 305 NE ARG A 22 -20.354 -6.943 5.971 1.00 0.00 N ATOM 306 CZ ARG A 22 -21.251 -6.122 5.497 1.00 0.00 C ATOM 307 NH1 ARG A 22 -21.761 -5.198 6.265 1.00 0.00 N ATOM 308 NH2 ARG A 22 -21.637 -6.225 4.254 1.00 0.00 N ATOM 0 H ARG A 22 -15.946 -6.898 10.274 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.609 -5.558 9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.155 -6.592 8.092 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.360 -8.147 8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.308 -8.385 7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.990 -7.118 8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.417 -5.389 7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.295 -6.432 6.255 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.419 -7.941 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.458 -5.117 7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -22.462 -4.556 5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.238 -6.947 3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -22.338 -5.584 3.883 1.00 0.00 H new ATOM 322 N ILE A 23 -18.420 -7.327 12.294 1.00 0.00 N ATOM 323 CA ILE A 23 -19.130 -8.099 13.327 1.00 0.00 C ATOM 324 C ILE A 23 -19.751 -7.088 14.303 1.00 0.00 C ATOM 325 O ILE A 23 -20.814 -7.308 14.849 1.00 0.00 O ATOM 326 CB ILE A 23 -18.054 -9.015 13.955 1.00 0.00 C ATOM 327 CG1 ILE A 23 -18.568 -9.619 15.267 1.00 0.00 C ATOM 328 CG2 ILE A 23 -16.751 -8.248 14.204 1.00 0.00 C ATOM 329 CD1 ILE A 23 -18.663 -8.537 16.335 1.00 0.00 C ATOM 0 H ILE A 23 -17.622 -6.792 12.637 1.00 0.00 H new ATOM 0 HA ILE A 23 -19.948 -8.723 12.968 1.00 0.00 H new ATOM 0 HB ILE A 23 -17.846 -9.820 13.250 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.546 -10.073 15.109 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -17.898 -10.412 15.599 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -16.013 -8.918 14.646 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -16.370 -7.862 13.259 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -16.942 -7.418 14.885 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.029 -8.974 17.264 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -17.677 -8.103 16.502 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -19.351 -7.759 16.004 1.00 0.00 H new ATOM 341 N THR A 24 -19.091 -5.972 14.515 1.00 0.00 N ATOM 342 CA THR A 24 -19.636 -4.936 15.441 1.00 0.00 C ATOM 343 C THR A 24 -19.918 -3.635 14.674 1.00 0.00 C ATOM 344 O THR A 24 -20.647 -2.782 15.140 1.00 0.00 O ATOM 345 CB THR A 24 -18.537 -4.721 16.487 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.383 -5.904 17.258 1.00 0.00 O ATOM 347 CG2 THR A 24 -18.919 -3.561 17.409 1.00 0.00 C ATOM 0 H THR A 24 -18.197 -5.737 14.084 1.00 0.00 H new ATOM 0 HA THR A 24 -20.577 -5.243 15.898 1.00 0.00 H new ATOM 0 HB THR A 24 -17.600 -4.486 15.982 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.679 -5.769 17.927 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.134 -3.412 18.151 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.038 -2.652 16.820 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.857 -3.791 17.914 1.00 0.00 H new ATOM 355 N GLY A 25 -19.363 -3.477 13.497 1.00 0.00 N ATOM 356 CA GLY A 25 -19.632 -2.230 12.717 1.00 0.00 C ATOM 357 C GLY A 25 -18.639 -1.122 13.097 1.00 0.00 C ATOM 358 O GLY A 25 -18.997 0.037 13.157 1.00 0.00 O ATOM 0 H GLY A 25 -18.742 -4.150 13.047 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -19.558 -2.440 11.650 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -20.651 -1.891 12.905 1.00 0.00 H new ATOM 362 N THR A 26 -17.410 -1.458 13.387 1.00 0.00 N ATOM 363 CA THR A 26 -16.431 -0.414 13.794 1.00 0.00 C ATOM 364 C THR A 26 -15.245 -0.357 12.818 1.00 0.00 C ATOM 365 O THR A 26 -14.974 -1.305 12.108 1.00 0.00 O ATOM 366 CB THR A 26 -15.946 -0.872 15.167 1.00 0.00 C ATOM 367 OG1 THR A 26 -16.423 -2.183 15.461 1.00 0.00 O ATOM 368 CG2 THR A 26 -16.444 0.097 16.229 1.00 0.00 C ATOM 0 H THR A 26 -17.044 -2.410 13.359 1.00 0.00 H new ATOM 0 HA THR A 26 -16.876 0.581 13.803 1.00 0.00 H new ATOM 0 HB THR A 26 -14.856 -0.891 15.162 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.100 -2.458 16.344 1.00 0.00 H new ATOM 0 HG21 THR A 26 -16.098 -0.229 17.210 1.00 0.00 H new ATOM 0 HG22 THR A 26 -16.057 1.095 16.021 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.534 0.121 16.218 1.00 0.00 H new ATOM 376 N ALA A 27 -14.527 0.745 12.781 1.00 0.00 N ATOM 377 CA ALA A 27 -13.359 0.828 11.850 1.00 0.00 C ATOM 378 C ALA A 27 -12.070 1.204 12.588 1.00 0.00 C ATOM 379 O ALA A 27 -11.939 2.287 13.123 1.00 0.00 O ATOM 380 CB ALA A 27 -13.677 1.924 10.818 1.00 0.00 C ATOM 0 H ALA A 27 -14.698 1.576 13.347 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.201 -0.144 11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.847 2.016 10.118 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.583 1.659 10.273 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.827 2.874 11.331 1.00 0.00 H new ATOM 386 N ARG A 28 -11.097 0.337 12.565 1.00 0.00 N ATOM 387 CA ARG A 28 -9.791 0.654 13.197 1.00 0.00 C ATOM 388 C ARG A 28 -8.958 1.385 12.142 1.00 0.00 C ATOM 389 O ARG A 28 -9.183 1.204 10.961 1.00 0.00 O ATOM 390 CB ARG A 28 -9.182 -0.704 13.550 1.00 0.00 C ATOM 391 CG ARG A 28 -7.719 -0.534 13.958 1.00 0.00 C ATOM 392 CD ARG A 28 -7.108 -1.906 14.255 1.00 0.00 C ATOM 393 NE ARG A 28 -7.731 -2.333 15.539 1.00 0.00 N ATOM 394 CZ ARG A 28 -6.979 -2.653 16.557 1.00 0.00 C ATOM 395 NH1 ARG A 28 -6.120 -1.791 17.031 1.00 0.00 N ATOM 396 NH2 ARG A 28 -7.085 -3.835 17.101 1.00 0.00 N ATOM 0 H ARG A 28 -11.153 -0.585 12.131 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.855 1.281 14.086 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.744 -1.162 14.364 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.253 -1.376 12.695 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.163 -0.042 13.160 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.648 0.106 14.838 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.323 -2.616 13.456 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.023 -1.845 14.343 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.747 -2.375 15.623 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.037 -0.868 16.606 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.533 -2.041 17.826 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.755 -4.509 16.731 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.497 -4.085 17.896 1.00 0.00 H new ATOM 410 N PRO A 29 -8.061 2.224 12.574 1.00 0.00 N ATOM 411 CA PRO A 29 -7.265 3.007 11.614 1.00 0.00 C ATOM 412 C PRO A 29 -5.953 2.319 11.217 1.00 0.00 C ATOM 413 O PRO A 29 -5.268 1.726 12.027 1.00 0.00 O ATOM 414 CB PRO A 29 -6.971 4.283 12.393 1.00 0.00 C ATOM 415 CG PRO A 29 -7.047 3.902 13.849 1.00 0.00 C ATOM 416 CD PRO A 29 -7.711 2.545 13.953 1.00 0.00 C ATOM 0 HA PRO A 29 -7.794 3.156 10.672 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.986 4.676 12.143 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.695 5.062 12.154 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.049 3.870 14.286 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.615 4.646 14.407 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.037 1.801 14.378 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.593 2.579 14.592 1.00 0.00 H new ATOM 424 N LEU A 30 -5.590 2.445 9.964 1.00 0.00 N ATOM 425 CA LEU A 30 -4.313 1.859 9.469 1.00 0.00 C ATOM 426 C LEU A 30 -3.285 3.001 9.400 1.00 0.00 C ATOM 427 O LEU A 30 -3.652 4.130 9.109 1.00 0.00 O ATOM 428 CB LEU A 30 -4.653 1.296 8.092 1.00 0.00 C ATOM 429 CG LEU A 30 -3.800 0.053 7.813 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.611 -0.967 7.011 1.00 0.00 C ATOM 431 CD2 LEU A 30 -2.547 0.459 7.019 1.00 0.00 C ATOM 0 H LEU A 30 -6.135 2.937 9.256 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.892 1.075 10.098 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.711 1.040 8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.474 2.051 7.326 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.500 -0.397 8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.998 -1.847 6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.494 -1.258 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.919 -0.523 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.940 -0.424 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.846 0.914 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.965 1.176 7.599 1.00 0.00 H new ATOM 443 N PRO A 31 -2.047 2.678 9.723 1.00 0.00 N ATOM 444 CA PRO A 31 -0.947 3.686 9.828 1.00 0.00 C ATOM 445 C PRO A 31 -0.918 4.752 8.735 1.00 0.00 C ATOM 446 O PRO A 31 -1.600 4.685 7.733 1.00 0.00 O ATOM 447 CB PRO A 31 0.318 2.822 9.902 1.00 0.00 C ATOM 448 CG PRO A 31 -0.127 1.508 9.363 1.00 0.00 C ATOM 449 CD PRO A 31 -1.505 1.340 9.947 1.00 0.00 C ATOM 0 HA PRO A 31 -1.075 4.325 10.702 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.129 3.245 9.309 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.684 2.733 10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.150 1.508 8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.540 0.702 9.668 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.081 0.568 9.438 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.479 1.074 11.004 1.00 0.00 H new ATOM 457 N ALA A 32 -0.154 5.782 9.007 1.00 0.00 N ATOM 458 CA ALA A 32 -0.057 6.961 8.101 1.00 0.00 C ATOM 459 C ALA A 32 0.548 6.633 6.745 1.00 0.00 C ATOM 460 O ALA A 32 1.418 5.801 6.599 1.00 0.00 O ATOM 461 CB ALA A 32 0.838 7.948 8.849 1.00 0.00 C ATOM 0 H ALA A 32 0.422 5.852 9.846 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.050 7.351 7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.964 8.850 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.378 8.206 9.803 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.812 7.493 9.028 1.00 0.00 H new ATOM 467 N ILE A 33 0.023 7.306 5.766 1.00 0.00 N ATOM 468 CA ILE A 33 0.421 7.161 4.341 1.00 0.00 C ATOM 469 C ILE A 33 1.917 7.329 4.051 1.00 0.00 C ATOM 470 O ILE A 33 2.292 8.027 3.143 1.00 0.00 O ATOM 471 CB ILE A 33 -0.412 8.232 3.644 1.00 0.00 C ATOM 472 CG1 ILE A 33 -0.148 8.220 2.140 1.00 0.00 C ATOM 473 CG2 ILE A 33 -0.071 9.601 4.231 1.00 0.00 C ATOM 474 CD1 ILE A 33 -1.443 7.872 1.404 1.00 0.00 C ATOM 0 H ILE A 33 -0.715 7.996 5.908 1.00 0.00 H new ATOM 0 HA ILE A 33 0.240 6.144 3.992 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.470 8.023 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.218 9.194 1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.627 7.492 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.665 10.368 3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.293 9.605 5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.988 9.808 4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.260 7.862 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.789 6.889 1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.204 8.617 1.635 1.00 0.00 H new ATOM 486 N LYS A 34 2.769 6.627 4.741 1.00 0.00 N ATOM 487 CA LYS A 34 4.220 6.714 4.428 1.00 0.00 C ATOM 488 C LYS A 34 4.807 5.302 4.332 1.00 0.00 C ATOM 489 O LYS A 34 5.140 4.690 5.327 1.00 0.00 O ATOM 490 CB LYS A 34 4.845 7.483 5.592 1.00 0.00 C ATOM 491 CG LYS A 34 4.928 8.969 5.238 1.00 0.00 C ATOM 492 CD LYS A 34 6.070 9.191 4.245 1.00 0.00 C ATOM 493 CE LYS A 34 6.624 10.609 4.406 1.00 0.00 C ATOM 494 NZ LYS A 34 5.632 11.489 3.727 1.00 0.00 N ATOM 0 H LYS A 34 2.524 5.998 5.506 1.00 0.00 H new ATOM 0 HA LYS A 34 4.412 7.212 3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.248 7.346 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.840 7.093 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.985 9.305 4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.094 9.560 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.860 8.460 4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.713 9.043 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.732 10.874 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.610 10.702 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.065 11.912 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.803 10.927 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.334 12.244 4.378 1.00 0.00 H new ATOM 508 N ALA A 35 4.930 4.780 3.142 1.00 0.00 N ATOM 509 CA ALA A 35 5.489 3.406 2.983 1.00 0.00 C ATOM 510 C ALA A 35 7.014 3.478 2.843 1.00 0.00 C ATOM 511 O ALA A 35 7.570 4.512 2.533 1.00 0.00 O ATOM 512 CB ALA A 35 4.836 2.859 1.711 1.00 0.00 C ATOM 0 H ALA A 35 4.668 5.245 2.273 1.00 0.00 H new ATOM 0 HA ALA A 35 5.286 2.764 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.196 1.848 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.753 2.841 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.093 3.498 0.866 1.00 0.00 H new ATOM 518 N GLN A 36 7.698 2.392 3.094 1.00 0.00 N ATOM 519 CA GLN A 36 9.190 2.410 3.003 1.00 0.00 C ATOM 520 C GLN A 36 9.668 2.122 1.576 1.00 0.00 C ATOM 521 O GLN A 36 9.400 1.077 1.018 1.00 0.00 O ATOM 522 CB GLN A 36 9.652 1.305 3.954 1.00 0.00 C ATOM 523 CG GLN A 36 10.543 1.906 5.042 1.00 0.00 C ATOM 524 CD GLN A 36 11.439 0.814 5.627 1.00 0.00 C ATOM 525 OE1 GLN A 36 12.576 0.662 5.223 1.00 0.00 O ATOM 526 NE2 GLN A 36 10.973 0.039 6.569 1.00 0.00 N ATOM 0 H GLN A 36 7.290 1.495 3.358 1.00 0.00 H new ATOM 0 HA GLN A 36 9.596 3.387 3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.789 0.815 4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.199 0.541 3.402 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.153 2.708 4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.929 2.347 5.827 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.020 0.166 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.562 -0.693 6.965 1.00 0.00 H new ATOM 535 N ASP A 37 10.389 3.042 0.987 1.00 0.00 N ATOM 536 CA ASP A 37 10.908 2.829 -0.400 1.00 0.00 C ATOM 537 C ASP A 37 9.805 2.294 -1.319 1.00 0.00 C ATOM 538 O ASP A 37 10.063 1.562 -2.253 1.00 0.00 O ATOM 539 CB ASP A 37 12.023 1.793 -0.248 1.00 0.00 C ATOM 540 CG ASP A 37 13.049 2.290 0.773 1.00 0.00 C ATOM 541 OD1 ASP A 37 12.696 2.394 1.936 1.00 0.00 O ATOM 542 OD2 ASP A 37 14.170 2.560 0.373 1.00 0.00 O ATOM 0 H ASP A 37 10.642 3.936 1.408 1.00 0.00 H new ATOM 0 HA ASP A 37 11.263 3.757 -0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.606 0.839 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.506 1.620 -1.210 1.00 0.00 H new ATOM 547 N GLY A 38 8.578 2.651 -1.059 1.00 0.00 N ATOM 548 CA GLY A 38 7.467 2.158 -1.918 1.00 0.00 C ATOM 549 C GLY A 38 6.876 0.879 -1.320 1.00 0.00 C ATOM 550 O GLY A 38 6.154 0.156 -1.975 1.00 0.00 O ATOM 0 H GLY A 38 8.298 3.261 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.694 2.922 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.834 1.963 -2.926 1.00 0.00 H new ATOM 554 N THR A 39 7.175 0.590 -0.081 1.00 0.00 N ATOM 555 CA THR A 39 6.635 -0.633 0.546 1.00 0.00 C ATOM 556 C THR A 39 5.371 -0.292 1.348 1.00 0.00 C ATOM 557 O THR A 39 5.456 0.322 2.393 1.00 0.00 O ATOM 558 CB THR A 39 7.760 -1.091 1.472 1.00 0.00 C ATOM 559 OG1 THR A 39 8.859 -1.543 0.692 1.00 0.00 O ATOM 560 CG2 THR A 39 7.267 -2.222 2.358 1.00 0.00 C ATOM 0 H THR A 39 7.774 1.157 0.520 1.00 0.00 H new ATOM 0 HA THR A 39 6.350 -1.400 -0.174 1.00 0.00 H new ATOM 0 HB THR A 39 8.075 -0.256 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.471 -0.796 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.073 -2.546 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.426 -1.874 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.948 -3.059 1.736 1.00 0.00 H new ATOM 568 N PRO A 40 4.237 -0.707 0.841 1.00 0.00 N ATOM 569 CA PRO A 40 2.961 -0.435 1.544 1.00 0.00 C ATOM 570 C PRO A 40 2.889 -1.281 2.816 1.00 0.00 C ATOM 571 O PRO A 40 3.608 -2.250 2.961 1.00 0.00 O ATOM 572 CB PRO A 40 1.896 -0.857 0.533 1.00 0.00 C ATOM 573 CG PRO A 40 2.577 -1.849 -0.352 1.00 0.00 C ATOM 574 CD PRO A 40 4.030 -1.456 -0.407 1.00 0.00 C ATOM 0 HA PRO A 40 2.841 0.603 1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.032 -1.299 1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.533 -0.002 -0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.464 -2.859 0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.137 -1.844 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.679 -2.330 -0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.246 -0.843 -1.282 1.00 0.00 H new ATOM 582 N ASP A 41 2.040 -0.930 3.741 1.00 0.00 N ATOM 583 CA ASP A 41 1.950 -1.730 4.989 1.00 0.00 C ATOM 584 C ASP A 41 1.465 -3.130 4.657 1.00 0.00 C ATOM 585 O ASP A 41 0.287 -3.416 4.635 1.00 0.00 O ATOM 586 CB ASP A 41 0.940 -0.996 5.871 1.00 0.00 C ATOM 587 CG ASP A 41 1.638 0.162 6.588 1.00 0.00 C ATOM 588 OD1 ASP A 41 2.569 -0.103 7.331 1.00 0.00 O ATOM 589 OD2 ASP A 41 1.231 1.293 6.381 1.00 0.00 O ATOM 0 H ASP A 41 1.410 -0.130 3.686 1.00 0.00 H new ATOM 0 HA ASP A 41 2.911 -1.831 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.117 -0.619 5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.510 -1.683 6.600 1.00 0.00 H new ATOM 594 N TRP A 42 2.389 -4.003 4.424 1.00 0.00 N ATOM 595 CA TRP A 42 2.037 -5.407 4.114 1.00 0.00 C ATOM 596 C TRP A 42 2.032 -6.214 5.412 1.00 0.00 C ATOM 597 O TRP A 42 1.486 -7.291 5.479 1.00 0.00 O ATOM 598 CB TRP A 42 3.137 -5.891 3.166 1.00 0.00 C ATOM 599 CG TRP A 42 2.982 -7.356 2.911 1.00 0.00 C ATOM 600 CD1 TRP A 42 2.205 -7.901 1.947 1.00 0.00 C ATOM 601 CD2 TRP A 42 3.605 -8.468 3.614 1.00 0.00 C ATOM 602 NE1 TRP A 42 2.314 -9.279 2.013 1.00 0.00 N ATOM 603 CE2 TRP A 42 3.165 -9.676 3.024 1.00 0.00 C ATOM 604 CE3 TRP A 42 4.502 -8.546 4.694 1.00 0.00 C ATOM 605 CZ2 TRP A 42 3.599 -10.918 3.489 1.00 0.00 C ATOM 606 CZ3 TRP A 42 4.940 -9.793 5.166 1.00 0.00 C ATOM 607 CH2 TRP A 42 4.490 -10.977 4.564 1.00 0.00 C ATOM 0 H TRP A 42 3.389 -3.803 4.435 1.00 0.00 H new ATOM 0 HA TRP A 42 1.052 -5.515 3.660 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.086 -5.342 2.226 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.117 -5.690 3.599 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.599 -7.351 1.242 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.825 -9.922 1.391 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.856 -7.640 5.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.249 -11.827 3.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.627 -9.841 5.998 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.832 -11.934 4.931 1.00 0.00 H new ATOM 618 N ASN A 43 2.631 -5.691 6.451 1.00 0.00 N ATOM 619 CA ASN A 43 2.642 -6.429 7.743 1.00 0.00 C ATOM 620 C ASN A 43 1.304 -6.230 8.450 1.00 0.00 C ATOM 621 O ASN A 43 0.776 -7.121 9.087 1.00 0.00 O ATOM 622 CB ASN A 43 3.779 -5.805 8.551 1.00 0.00 C ATOM 623 CG ASN A 43 4.338 -6.843 9.527 1.00 0.00 C ATOM 624 OD1 ASN A 43 4.523 -7.989 9.171 1.00 0.00 O ATOM 625 ND2 ASN A 43 4.620 -6.486 10.750 1.00 0.00 N ATOM 0 H ASN A 43 3.109 -4.790 6.458 1.00 0.00 H new ATOM 0 HA ASN A 43 2.787 -7.502 7.615 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.567 -5.457 7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.416 -4.934 9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.996 -7.170 11.407 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.465 -5.523 11.049 1.00 0.00 H new ATOM 632 N ILE A 44 0.760 -5.054 8.336 1.00 0.00 N ATOM 633 CA ILE A 44 -0.540 -4.755 8.990 1.00 0.00 C ATOM 634 C ILE A 44 -1.698 -5.351 8.174 1.00 0.00 C ATOM 635 O ILE A 44 -2.508 -6.095 8.688 1.00 0.00 O ATOM 636 CB ILE A 44 -0.589 -3.220 9.018 1.00 0.00 C ATOM 637 CG1 ILE A 44 0.269 -2.714 10.180 1.00 0.00 C ATOM 638 CG2 ILE A 44 -2.024 -2.727 9.207 1.00 0.00 C ATOM 639 CD1 ILE A 44 1.741 -2.701 9.764 1.00 0.00 C ATOM 0 H ILE A 44 1.165 -4.279 7.812 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.634 -5.184 9.987 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.209 -2.840 8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.047 -1.711 10.468 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.133 -3.354 11.052 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.035 -1.637 9.224 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.643 -3.083 8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.419 -3.108 10.149 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.350 -2.340 10.593 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.053 -3.711 9.497 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.871 -2.042 8.905 1.00 0.00 H new ATOM 651 N ILE A 45 -1.789 -5.025 6.913 1.00 0.00 N ATOM 652 CA ILE A 45 -2.905 -5.574 6.093 1.00 0.00 C ATOM 653 C ILE A 45 -2.825 -7.104 6.048 1.00 0.00 C ATOM 654 O ILE A 45 -3.832 -7.784 6.034 1.00 0.00 O ATOM 655 CB ILE A 45 -2.728 -4.967 4.703 1.00 0.00 C ATOM 656 CG1 ILE A 45 -2.955 -3.456 4.790 1.00 0.00 C ATOM 657 CG2 ILE A 45 -3.758 -5.577 3.749 1.00 0.00 C ATOM 658 CD1 ILE A 45 -2.126 -2.749 3.720 1.00 0.00 C ATOM 0 H ILE A 45 -1.145 -4.408 6.419 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.882 -5.327 6.508 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.723 -5.172 4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.012 -3.229 4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.676 -3.093 5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.634 -5.146 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.612 -6.656 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.763 -5.365 4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.290 -1.673 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.069 -2.965 3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.426 -3.103 2.734 1.00 0.00 H new ATOM 670 N GLU A 46 -1.639 -7.654 6.037 1.00 0.00 N ATOM 671 CA GLU A 46 -1.514 -9.141 6.010 1.00 0.00 C ATOM 672 C GLU A 46 -2.177 -9.728 7.256 1.00 0.00 C ATOM 673 O GLU A 46 -2.933 -10.675 7.182 1.00 0.00 O ATOM 674 CB GLU A 46 -0.007 -9.420 6.010 1.00 0.00 C ATOM 675 CG GLU A 46 0.253 -10.915 6.221 1.00 0.00 C ATOM 676 CD GLU A 46 -0.198 -11.691 4.983 1.00 0.00 C ATOM 677 OE1 GLU A 46 0.342 -11.436 3.919 1.00 0.00 O ATOM 678 OE2 GLU A 46 -1.075 -12.528 5.120 1.00 0.00 O ATOM 0 H GLU A 46 -0.757 -7.142 6.045 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.999 -9.589 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.430 -9.097 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.477 -8.844 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.313 -11.088 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.285 -11.268 7.101 1.00 0.00 H new ATOM 685 N ARG A 47 -1.907 -9.163 8.402 1.00 0.00 N ATOM 686 CA ARG A 47 -2.535 -9.683 9.649 1.00 0.00 C ATOM 687 C ARG A 47 -4.053 -9.732 9.476 1.00 0.00 C ATOM 688 O ARG A 47 -4.708 -10.660 9.907 1.00 0.00 O ATOM 689 CB ARG A 47 -2.148 -8.684 10.740 1.00 0.00 C ATOM 690 CG ARG A 47 -0.779 -9.054 11.313 1.00 0.00 C ATOM 691 CD ARG A 47 -0.091 -7.795 11.844 1.00 0.00 C ATOM 692 NE ARG A 47 -0.106 -7.945 13.325 1.00 0.00 N ATOM 693 CZ ARG A 47 0.889 -7.492 14.036 1.00 0.00 C ATOM 694 NH1 ARG A 47 2.082 -7.999 13.887 1.00 0.00 N ATOM 695 NH2 ARG A 47 0.692 -6.531 14.898 1.00 0.00 N ATOM 0 H ARG A 47 -1.281 -8.367 8.528 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.204 -10.692 9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.121 -7.675 10.330 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.897 -8.686 11.532 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.894 -9.784 12.114 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.164 -9.520 10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.928 -7.712 11.466 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.621 -6.895 11.533 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.894 -8.402 13.784 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.237 -8.750 13.214 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.860 -7.644 14.443 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.240 -6.134 15.015 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.471 -6.177 15.454 1.00 0.00 H new ATOM 709 N LEU A 48 -4.618 -8.739 8.839 1.00 0.00 N ATOM 710 CA LEU A 48 -6.092 -8.738 8.634 1.00 0.00 C ATOM 711 C LEU A 48 -6.475 -9.765 7.566 1.00 0.00 C ATOM 712 O LEU A 48 -7.588 -10.251 7.530 1.00 0.00 O ATOM 713 CB LEU A 48 -6.430 -7.331 8.153 1.00 0.00 C ATOM 714 CG LEU A 48 -6.129 -6.334 9.266 1.00 0.00 C ATOM 715 CD1 LEU A 48 -5.751 -4.992 8.656 1.00 0.00 C ATOM 716 CD2 LEU A 48 -7.362 -6.168 10.158 1.00 0.00 C ATOM 0 H LEU A 48 -4.123 -7.934 8.455 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.631 -8.999 9.545 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.848 -7.088 7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.481 -7.273 7.871 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.299 -6.704 9.869 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.536 -4.279 9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.868 -5.113 8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.578 -4.622 8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.143 -5.455 10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.197 -5.801 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.626 -7.130 10.597 1.00 0.00 H new ATOM 728 N LEU A 49 -5.562 -10.083 6.686 1.00 0.00 N ATOM 729 CA LEU A 49 -5.870 -11.060 5.599 1.00 0.00 C ATOM 730 C LEU A 49 -5.861 -12.503 6.113 1.00 0.00 C ATOM 731 O LEU A 49 -6.822 -13.231 5.960 1.00 0.00 O ATOM 732 CB LEU A 49 -4.744 -10.865 4.583 1.00 0.00 C ATOM 733 CG LEU A 49 -5.267 -10.086 3.376 1.00 0.00 C ATOM 734 CD1 LEU A 49 -4.909 -8.607 3.528 1.00 0.00 C ATOM 735 CD2 LEU A 49 -4.623 -10.637 2.100 1.00 0.00 C ATOM 0 H LEU A 49 -4.614 -9.707 6.673 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.863 -10.892 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.915 -10.327 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.358 -11.833 4.264 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.350 -10.192 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.282 -8.052 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.363 -8.214 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.826 -8.499 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.994 -10.084 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.540 -10.528 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.876 -11.692 1.991 1.00 0.00 H new ATOM 747 N LYS A 50 -4.778 -12.930 6.701 1.00 0.00 N ATOM 748 CA LYS A 50 -4.704 -14.336 7.199 1.00 0.00 C ATOM 749 C LYS A 50 -5.372 -14.485 8.571 1.00 0.00 C ATOM 750 O LYS A 50 -5.982 -15.495 8.863 1.00 0.00 O ATOM 751 CB LYS A 50 -3.209 -14.637 7.301 1.00 0.00 C ATOM 752 CG LYS A 50 -2.740 -15.334 6.023 1.00 0.00 C ATOM 753 CD LYS A 50 -3.386 -16.717 5.926 1.00 0.00 C ATOM 754 CE LYS A 50 -3.767 -17.000 4.471 1.00 0.00 C ATOM 755 NZ LYS A 50 -2.488 -17.366 3.800 1.00 0.00 N ATOM 0 H LYS A 50 -3.941 -12.369 6.859 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.227 -15.022 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.651 -13.713 7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.013 -15.270 8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.006 -14.735 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.654 -15.428 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.695 -17.479 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.271 -16.762 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.493 -17.810 4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.221 -16.125 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.357 -16.773 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.696 -17.215 4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.518 -18.367 3.518 1.00 0.00 H new ATOM 769 N GLU A 51 -5.236 -13.509 9.424 1.00 0.00 N ATOM 770 CA GLU A 51 -5.835 -13.622 10.789 1.00 0.00 C ATOM 771 C GLU A 51 -7.315 -13.221 10.800 1.00 0.00 C ATOM 772 O GLU A 51 -8.124 -13.842 11.461 1.00 0.00 O ATOM 773 CB GLU A 51 -5.020 -12.662 11.654 1.00 0.00 C ATOM 774 CG GLU A 51 -4.666 -13.343 12.976 1.00 0.00 C ATOM 775 CD GLU A 51 -5.694 -12.957 14.042 1.00 0.00 C ATOM 776 OE1 GLU A 51 -6.876 -13.089 13.770 1.00 0.00 O ATOM 777 OE2 GLU A 51 -5.283 -12.536 15.109 1.00 0.00 O ATOM 0 H GLU A 51 -4.738 -12.639 9.239 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.802 -14.650 11.151 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.111 -12.366 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.590 -11.752 11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.650 -14.425 12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.667 -13.045 13.294 1.00 0.00 H new ATOM 784 N TRP A 52 -7.679 -12.182 10.102 1.00 0.00 N ATOM 785 CA TRP A 52 -9.108 -11.751 10.117 1.00 0.00 C ATOM 786 C TRP A 52 -9.821 -12.130 8.819 1.00 0.00 C ATOM 787 O TRP A 52 -11.031 -12.244 8.785 1.00 0.00 O ATOM 788 CB TRP A 52 -9.056 -10.233 10.263 1.00 0.00 C ATOM 789 CG TRP A 52 -8.769 -9.880 11.685 1.00 0.00 C ATOM 790 CD1 TRP A 52 -7.693 -9.183 12.114 1.00 0.00 C ATOM 791 CD2 TRP A 52 -9.554 -10.194 12.869 1.00 0.00 C ATOM 792 NE1 TRP A 52 -7.767 -9.050 13.489 1.00 0.00 N ATOM 793 CE2 TRP A 52 -8.897 -9.657 14.002 1.00 0.00 C ATOM 794 CE3 TRP A 52 -10.760 -10.888 13.067 1.00 0.00 C ATOM 795 CZ2 TRP A 52 -9.421 -9.803 15.286 1.00 0.00 C ATOM 796 CZ3 TRP A 52 -11.290 -11.037 14.359 1.00 0.00 C ATOM 797 CH2 TRP A 52 -10.622 -10.495 15.466 1.00 0.00 C ATOM 0 H TRP A 52 -7.056 -11.616 9.526 1.00 0.00 H new ATOM 0 HA TRP A 52 -9.662 -12.234 10.922 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.285 -9.820 9.612 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -10.004 -9.794 9.952 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -6.905 -8.794 11.486 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -7.072 -8.563 14.055 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -11.282 -11.309 12.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.902 -9.384 16.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -12.217 -11.572 14.501 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -11.035 -10.612 16.457 1.00 0.00 H new ATOM 808 N GLN A 53 -9.099 -12.308 7.747 1.00 0.00 N ATOM 809 CA GLN A 53 -9.766 -12.660 6.459 1.00 0.00 C ATOM 810 C GLN A 53 -10.859 -11.624 6.152 1.00 0.00 C ATOM 811 O GLN A 53 -11.978 -11.758 6.605 1.00 0.00 O ATOM 812 CB GLN A 53 -10.379 -14.043 6.686 1.00 0.00 C ATOM 813 CG GLN A 53 -9.276 -15.041 7.049 1.00 0.00 C ATOM 814 CD GLN A 53 -9.907 -16.379 7.438 1.00 0.00 C ATOM 815 OE1 GLN A 53 -10.683 -16.940 6.689 1.00 0.00 O ATOM 816 NE2 GLN A 53 -9.607 -16.919 8.588 1.00 0.00 N ATOM 0 H GLN A 53 -8.083 -12.226 7.705 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.075 -12.666 5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.119 -13.997 7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.900 -14.373 5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.601 -15.177 6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.679 -14.655 7.875 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.956 -16.450 9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.023 -17.810 8.857 1.00 0.00 H new ATOM 825 N PRO A 54 -10.493 -10.610 5.409 1.00 0.00 N ATOM 826 CA PRO A 54 -11.453 -9.530 5.064 1.00 0.00 C ATOM 827 C PRO A 54 -12.558 -10.044 4.143 1.00 0.00 C ATOM 828 O PRO A 54 -12.301 -10.572 3.078 1.00 0.00 O ATOM 829 CB PRO A 54 -10.588 -8.496 4.343 1.00 0.00 C ATOM 830 CG PRO A 54 -9.433 -9.278 3.813 1.00 0.00 C ATOM 831 CD PRO A 54 -9.171 -10.367 4.815 1.00 0.00 C ATOM 0 HA PRO A 54 -11.961 -9.127 5.940 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.140 -8.009 3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.257 -7.712 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.663 -9.697 2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.556 -8.643 3.690 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.774 -11.263 4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.444 -10.056 5.566 1.00 0.00 H new ATOM 839 N ASP A 55 -13.789 -9.873 4.537 1.00 0.00 N ATOM 840 CA ASP A 55 -14.917 -10.329 3.677 1.00 0.00 C ATOM 841 C ASP A 55 -15.010 -9.432 2.436 1.00 0.00 C ATOM 842 O ASP A 55 -15.230 -9.898 1.336 1.00 0.00 O ATOM 843 CB ASP A 55 -16.165 -10.175 4.548 1.00 0.00 C ATOM 844 CG ASP A 55 -17.223 -11.192 4.116 1.00 0.00 C ATOM 845 OD1 ASP A 55 -16.854 -12.323 3.844 1.00 0.00 O ATOM 846 OD2 ASP A 55 -18.386 -10.823 4.066 1.00 0.00 O ATOM 0 H ASP A 55 -14.063 -9.437 5.418 1.00 0.00 H new ATOM 0 HA ASP A 55 -14.794 -11.354 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.909 -10.325 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.561 -9.163 4.458 1.00 0.00 H new ATOM 851 N GLU A 56 -14.837 -8.145 2.605 1.00 0.00 N ATOM 852 CA GLU A 56 -14.908 -7.221 1.432 1.00 0.00 C ATOM 853 C GLU A 56 -13.828 -6.140 1.551 1.00 0.00 C ATOM 854 O GLU A 56 -13.355 -5.847 2.630 1.00 0.00 O ATOM 855 CB GLU A 56 -16.301 -6.596 1.498 1.00 0.00 C ATOM 856 CG GLU A 56 -17.106 -7.012 0.266 1.00 0.00 C ATOM 857 CD GLU A 56 -18.520 -7.407 0.690 1.00 0.00 C ATOM 858 OE1 GLU A 56 -19.149 -6.626 1.385 1.00 0.00 O ATOM 859 OE2 GLU A 56 -18.951 -8.485 0.315 1.00 0.00 O ATOM 0 H GLU A 56 -14.650 -7.695 3.501 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.742 -7.739 0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.813 -6.917 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.222 -5.510 1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.146 -6.191 -0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.618 -7.848 -0.235 1.00 0.00 H new ATOM 866 N ILE A 57 -13.418 -5.549 0.458 1.00 0.00 N ATOM 867 CA ILE A 57 -12.363 -4.498 0.548 1.00 0.00 C ATOM 868 C ILE A 57 -12.727 -3.239 -0.249 1.00 0.00 C ATOM 869 O ILE A 57 -13.193 -3.306 -1.368 1.00 0.00 O ATOM 870 CB ILE A 57 -11.090 -5.115 -0.009 1.00 0.00 C ATOM 871 CG1 ILE A 57 -10.744 -6.382 0.777 1.00 0.00 C ATOM 872 CG2 ILE A 57 -9.964 -4.092 0.140 1.00 0.00 C ATOM 873 CD1 ILE A 57 -11.261 -7.609 0.023 1.00 0.00 C ATOM 0 H ILE A 57 -13.763 -5.746 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 57 -12.246 -4.181 1.584 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.225 -5.380 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.665 -6.454 0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.189 -6.339 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.038 -4.511 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.218 -3.188 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.833 -3.846 1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.014 -8.511 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.343 -7.537 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.795 -7.654 -0.961 1.00 0.00 H new ATOM 885 N ILE A 58 -12.481 -2.093 0.324 1.00 0.00 N ATOM 886 CA ILE A 58 -12.763 -0.803 -0.371 1.00 0.00 C ATOM 887 C ILE A 58 -11.426 -0.054 -0.531 1.00 0.00 C ATOM 888 O ILE A 58 -10.814 0.285 0.449 1.00 0.00 O ATOM 889 CB ILE A 58 -13.694 0.021 0.552 1.00 0.00 C ATOM 890 CG1 ILE A 58 -14.101 -0.735 1.844 1.00 0.00 C ATOM 891 CG2 ILE A 58 -14.943 0.450 -0.223 1.00 0.00 C ATOM 892 CD1 ILE A 58 -15.143 -1.814 1.561 1.00 0.00 C ATOM 0 H ILE A 58 -12.090 -1.994 1.261 1.00 0.00 H new ATOM 0 HA ILE A 58 -13.226 -0.959 -1.345 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.129 0.897 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.218 -1.190 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.499 -0.026 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -15.595 1.030 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.649 1.060 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -15.475 -0.434 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -15.403 -2.321 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -16.036 -1.355 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -14.735 -2.537 0.854 1.00 0.00 H new ATOM 904 N VAL A 59 -10.939 0.191 -1.728 1.00 0.00 N ATOM 905 CA VAL A 59 -9.608 0.894 -1.835 1.00 0.00 C ATOM 906 C VAL A 59 -9.615 2.075 -2.820 1.00 0.00 C ATOM 907 O VAL A 59 -10.346 2.091 -3.792 1.00 0.00 O ATOM 908 CB VAL A 59 -8.617 -0.186 -2.284 1.00 0.00 C ATOM 909 CG1 VAL A 59 -8.777 -0.472 -3.776 1.00 0.00 C ATOM 910 CG2 VAL A 59 -7.191 0.298 -2.022 1.00 0.00 C ATOM 0 H VAL A 59 -11.385 -0.054 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.341 1.341 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.816 -1.099 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.066 -1.241 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.791 -0.819 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.588 0.439 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.483 -0.467 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.010 1.215 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.062 0.491 -0.957 1.00 0.00 H new ATOM 920 N GLY A 60 -8.780 3.062 -2.570 1.00 0.00 N ATOM 921 CA GLY A 60 -8.706 4.238 -3.487 1.00 0.00 C ATOM 922 C GLY A 60 -7.799 5.335 -2.899 1.00 0.00 C ATOM 923 O GLY A 60 -7.988 5.782 -1.786 1.00 0.00 O ATOM 0 H GLY A 60 -8.149 3.099 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.322 3.924 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.706 4.638 -3.654 1.00 0.00 H new ATOM 927 N LEU A 61 -6.817 5.779 -3.653 1.00 0.00 N ATOM 928 CA LEU A 61 -5.903 6.856 -3.163 1.00 0.00 C ATOM 929 C LEU A 61 -6.699 8.165 -2.972 1.00 0.00 C ATOM 930 O LEU A 61 -7.642 8.424 -3.693 1.00 0.00 O ATOM 931 CB LEU A 61 -4.837 6.984 -4.284 1.00 0.00 C ATOM 932 CG LEU A 61 -4.416 8.444 -4.515 1.00 0.00 C ATOM 933 CD1 LEU A 61 -2.990 8.483 -5.067 1.00 0.00 C ATOM 934 CD2 LEU A 61 -5.368 9.092 -5.523 1.00 0.00 C ATOM 0 H LEU A 61 -6.611 5.437 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.445 6.637 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.961 6.392 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.234 6.570 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.455 8.988 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.691 9.518 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.310 8.018 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.950 7.940 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.072 10.128 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.326 8.547 -6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.385 9.063 -5.133 1.00 0.00 H new ATOM 1156 N ALA A 76 -4.586 5.868 -10.095 1.00 0.00 N ATOM 1157 CA ALA A 76 -5.097 5.443 -8.764 1.00 0.00 C ATOM 1158 C ALA A 76 -6.139 4.341 -8.936 1.00 0.00 C ATOM 1159 O ALA A 76 -6.122 3.342 -8.246 1.00 0.00 O ATOM 1160 CB ALA A 76 -5.749 6.694 -8.186 1.00 0.00 C ATOM 0 HA ALA A 76 -4.311 5.049 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.155 6.470 -7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.005 7.486 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.554 7.022 -8.844 1.00 0.00 H new ATOM 1166 N ARG A 77 -7.050 4.515 -9.852 1.00 0.00 N ATOM 1167 CA ARG A 77 -8.090 3.470 -10.059 1.00 0.00 C ATOM 1168 C ARG A 77 -7.430 2.168 -10.508 1.00 0.00 C ATOM 1169 O ARG A 77 -7.694 1.106 -9.973 1.00 0.00 O ATOM 1170 CB ARG A 77 -9.004 4.022 -11.154 1.00 0.00 C ATOM 1171 CG ARG A 77 -10.349 4.421 -10.543 1.00 0.00 C ATOM 1172 CD ARG A 77 -10.838 5.720 -11.188 1.00 0.00 C ATOM 1173 NE ARG A 77 -12.188 5.957 -10.605 1.00 0.00 N ATOM 1174 CZ ARG A 77 -12.884 6.997 -10.976 1.00 0.00 C ATOM 1175 NH1 ARG A 77 -12.780 7.449 -12.195 1.00 0.00 N ATOM 1176 NH2 ARG A 77 -13.684 7.585 -10.128 1.00 0.00 N ATOM 0 H ARG A 77 -7.120 5.329 -10.462 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.647 3.250 -9.148 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.539 4.885 -11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.153 3.272 -11.930 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.080 3.628 -10.698 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.246 4.554 -9.466 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.163 6.547 -10.969 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.888 5.627 -12.273 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.568 5.307 -9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.155 6.990 -12.858 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.324 8.262 -12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.765 7.232 -9.175 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.227 8.398 -10.419 1.00 0.00 H new ATOM 1190 N LYS A 78 -6.562 2.236 -11.477 1.00 0.00 N ATOM 1191 CA LYS A 78 -5.887 0.992 -11.936 1.00 0.00 C ATOM 1192 C LYS A 78 -5.008 0.452 -10.814 1.00 0.00 C ATOM 1193 O LYS A 78 -4.749 -0.734 -10.731 1.00 0.00 O ATOM 1194 CB LYS A 78 -5.043 1.397 -13.145 1.00 0.00 C ATOM 1195 CG LYS A 78 -4.731 0.155 -13.983 1.00 0.00 C ATOM 1196 CD LYS A 78 -4.302 0.578 -15.389 1.00 0.00 C ATOM 1197 CE LYS A 78 -3.382 -0.488 -15.985 1.00 0.00 C ATOM 1198 NZ LYS A 78 -4.244 -1.692 -16.150 1.00 0.00 N ATOM 0 H LYS A 78 -6.293 3.089 -11.967 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.596 0.208 -12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.578 2.131 -13.747 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.118 1.869 -12.815 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.939 -0.426 -13.510 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.609 -0.489 -14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.178 0.713 -16.023 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.787 1.538 -15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.969 -0.164 -16.940 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.538 -0.694 -15.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.779 -2.367 -16.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.395 -2.140 -15.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.161 -1.410 -16.552 1.00 0.00 H new ATOM 1212 N PHE A 79 -4.567 1.305 -9.930 1.00 0.00 N ATOM 1213 CA PHE A 79 -3.730 0.809 -8.808 1.00 0.00 C ATOM 1214 C PHE A 79 -4.584 -0.124 -7.955 1.00 0.00 C ATOM 1215 O PHE A 79 -4.129 -1.151 -7.491 1.00 0.00 O ATOM 1216 CB PHE A 79 -3.308 2.042 -8.012 1.00 0.00 C ATOM 1217 CG PHE A 79 -2.497 1.593 -6.824 1.00 0.00 C ATOM 1218 CD1 PHE A 79 -1.129 1.328 -6.967 1.00 0.00 C ATOM 1219 CD2 PHE A 79 -3.116 1.427 -5.582 1.00 0.00 C ATOM 1220 CE1 PHE A 79 -0.380 0.900 -5.865 1.00 0.00 C ATOM 1221 CE2 PHE A 79 -2.370 0.996 -4.481 1.00 0.00 C ATOM 1222 CZ PHE A 79 -1.001 0.733 -4.621 1.00 0.00 C ATOM 0 H PHE A 79 -4.748 2.309 -9.937 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.851 0.259 -9.145 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.721 2.714 -8.638 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.186 2.598 -7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.652 1.454 -7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.171 1.632 -5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.675 0.699 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.849 0.866 -3.522 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.425 0.402 -3.770 1.00 0.00 H new ATOM 1232 N ALA A 80 -5.836 0.212 -7.774 1.00 0.00 N ATOM 1233 CA ALA A 80 -6.732 -0.673 -6.985 1.00 0.00 C ATOM 1234 C ALA A 80 -6.762 -2.044 -7.655 1.00 0.00 C ATOM 1235 O ALA A 80 -6.777 -3.068 -7.002 1.00 0.00 O ATOM 1236 CB ALA A 80 -8.109 -0.011 -7.038 1.00 0.00 C ATOM 0 H ALA A 80 -6.271 1.059 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.406 -0.807 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.823 -0.612 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.050 0.986 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.437 0.065 -8.075 1.00 0.00 H new ATOM 1242 N ASN A 81 -6.749 -2.068 -8.963 1.00 0.00 N ATOM 1243 CA ASN A 81 -6.751 -3.375 -9.675 1.00 0.00 C ATOM 1244 C ASN A 81 -5.459 -4.132 -9.350 1.00 0.00 C ATOM 1245 O ASN A 81 -5.394 -5.342 -9.453 1.00 0.00 O ATOM 1246 CB ASN A 81 -6.809 -3.021 -11.162 1.00 0.00 C ATOM 1247 CG ASN A 81 -7.498 -4.150 -11.933 1.00 0.00 C ATOM 1248 OD1 ASN A 81 -8.332 -3.901 -12.780 1.00 0.00 O ATOM 1249 ND2 ASN A 81 -7.184 -5.391 -11.673 1.00 0.00 N ATOM 0 H ASN A 81 -6.737 -1.243 -9.563 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.586 -4.012 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.353 -2.087 -11.303 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.802 -2.865 -11.548 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.639 -6.149 -12.181 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.484 -5.602 -10.962 1.00 0.00 H new ATOM 1256 N ARG A 82 -4.428 -3.427 -8.957 1.00 0.00 N ATOM 1257 CA ARG A 82 -3.143 -4.111 -8.629 1.00 0.00 C ATOM 1258 C ARG A 82 -3.270 -4.894 -7.317 1.00 0.00 C ATOM 1259 O ARG A 82 -3.067 -6.090 -7.286 1.00 0.00 O ATOM 1260 CB ARG A 82 -2.115 -2.989 -8.489 1.00 0.00 C ATOM 1261 CG ARG A 82 -0.818 -3.403 -9.188 1.00 0.00 C ATOM 1262 CD ARG A 82 -0.717 -2.691 -10.540 1.00 0.00 C ATOM 1263 NE ARG A 82 -1.506 -3.535 -11.481 1.00 0.00 N ATOM 1264 CZ ARG A 82 -1.085 -4.729 -11.797 1.00 0.00 C ATOM 1265 NH1 ARG A 82 0.188 -4.947 -11.982 1.00 0.00 N ATOM 1266 NH2 ARG A 82 -1.939 -5.707 -11.932 1.00 0.00 N ATOM 0 H ARG A 82 -4.421 -2.413 -8.850 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.857 -4.830 -9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.501 -2.069 -8.928 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.925 -2.784 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.040 -3.149 -8.566 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.798 -4.483 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.120 -1.680 -10.484 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.320 -2.604 -10.863 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.376 -3.179 -11.878 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.856 -4.183 -11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.515 -5.881 -12.229 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.935 -5.538 -11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.610 -6.641 -12.179 1.00 0.00 H new ATOM 1280 N ILE A 83 -3.614 -4.243 -6.231 1.00 0.00 N ATOM 1281 CA ILE A 83 -3.752 -5.009 -4.943 1.00 0.00 C ATOM 1282 C ILE A 83 -4.762 -6.154 -5.158 1.00 0.00 C ATOM 1283 O ILE A 83 -4.735 -7.158 -4.471 1.00 0.00 O ATOM 1284 CB ILE A 83 -4.183 -4.015 -3.791 1.00 0.00 C ATOM 1285 CG1 ILE A 83 -5.396 -4.554 -3.006 1.00 0.00 C ATOM 1286 CG2 ILE A 83 -4.512 -2.600 -4.302 1.00 0.00 C ATOM 1287 CD1 ILE A 83 -6.666 -4.396 -3.841 1.00 0.00 C ATOM 0 H ILE A 83 -3.802 -3.242 -6.175 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.805 -5.456 -4.641 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.316 -3.944 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.242 -5.604 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.500 -4.015 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.800 -1.968 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.635 -2.176 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.334 -2.653 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.519 -4.779 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.824 -3.342 -4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.562 -4.955 -4.771 1.00 0.00 H new ATOM 1299 N HIS A 84 -5.643 -6.011 -6.115 1.00 0.00 N ATOM 1300 CA HIS A 84 -6.644 -7.086 -6.382 1.00 0.00 C ATOM 1301 C HIS A 84 -5.968 -8.272 -7.076 1.00 0.00 C ATOM 1302 O HIS A 84 -5.998 -9.384 -6.595 1.00 0.00 O ATOM 1303 CB HIS A 84 -7.681 -6.445 -7.308 1.00 0.00 C ATOM 1304 CG HIS A 84 -8.671 -7.486 -7.763 1.00 0.00 C ATOM 1305 ND1 HIS A 84 -8.905 -8.648 -7.045 1.00 0.00 N ATOM 1306 CD2 HIS A 84 -9.489 -7.557 -8.865 1.00 0.00 C ATOM 1307 CE1 HIS A 84 -9.828 -9.362 -7.716 1.00 0.00 C ATOM 1308 NE2 HIS A 84 -10.218 -8.742 -8.833 1.00 0.00 N ATOM 0 H HIS A 84 -5.712 -5.195 -6.723 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.097 -7.466 -5.466 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.199 -5.640 -6.787 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.186 -5.999 -8.171 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -8.459 -8.914 -6.167 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.556 -6.807 -9.639 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.207 -10.320 -7.391 1.00 0.00 H new ATOM 1316 N GLY A 85 -5.365 -8.037 -8.206 1.00 0.00 N ATOM 1317 CA GLY A 85 -4.690 -9.144 -8.940 1.00 0.00 C ATOM 1318 C GLY A 85 -3.507 -9.670 -8.121 1.00 0.00 C ATOM 1319 O GLY A 85 -2.986 -10.734 -8.388 1.00 0.00 O ATOM 0 H GLY A 85 -5.310 -7.123 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.398 -9.950 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.342 -8.789 -9.910 1.00 0.00 H new ATOM 1323 N ARG A 86 -3.070 -8.934 -7.135 1.00 0.00 N ATOM 1324 CA ARG A 86 -1.912 -9.402 -6.319 1.00 0.00 C ATOM 1325 C ARG A 86 -2.339 -10.527 -5.377 1.00 0.00 C ATOM 1326 O ARG A 86 -1.657 -11.524 -5.239 1.00 0.00 O ATOM 1327 CB ARG A 86 -1.466 -8.178 -5.519 1.00 0.00 C ATOM 1328 CG ARG A 86 -0.093 -7.716 -6.009 1.00 0.00 C ATOM 1329 CD ARG A 86 0.825 -7.483 -4.810 1.00 0.00 C ATOM 1330 NE ARG A 86 2.205 -7.646 -5.345 1.00 0.00 N ATOM 1331 CZ ARG A 86 3.083 -6.695 -5.183 1.00 0.00 C ATOM 1332 NH1 ARG A 86 3.012 -5.610 -5.906 1.00 0.00 N ATOM 1333 NH2 ARG A 86 4.033 -6.827 -4.297 1.00 0.00 N ATOM 0 H ARG A 86 -3.462 -8.033 -6.860 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.110 -9.799 -6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.193 -7.373 -5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.421 -8.422 -4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.340 -8.466 -6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.192 -6.798 -6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.680 -6.488 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.623 -8.199 -4.013 1.00 0.00 H new ATOM 0 HE ARG A 86 2.464 -8.501 -5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.270 -5.506 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.699 -4.867 -5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.089 -7.674 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.719 -6.083 -4.171 1.00 0.00 H new ATOM 1347 N PHE A 87 -3.458 -10.381 -4.722 1.00 0.00 N ATOM 1348 CA PHE A 87 -3.910 -11.451 -3.788 1.00 0.00 C ATOM 1349 C PHE A 87 -5.219 -12.081 -4.275 1.00 0.00 C ATOM 1350 O PHE A 87 -5.652 -13.097 -3.768 1.00 0.00 O ATOM 1351 CB PHE A 87 -4.120 -10.740 -2.452 1.00 0.00 C ATOM 1352 CG PHE A 87 -2.784 -10.320 -1.889 1.00 0.00 C ATOM 1353 CD1 PHE A 87 -1.714 -11.223 -1.871 1.00 0.00 C ATOM 1354 CD2 PHE A 87 -2.615 -9.024 -1.385 1.00 0.00 C ATOM 1355 CE1 PHE A 87 -0.476 -10.831 -1.350 1.00 0.00 C ATOM 1356 CE2 PHE A 87 -1.376 -8.633 -0.862 1.00 0.00 C ATOM 1357 CZ PHE A 87 -0.307 -9.535 -0.845 1.00 0.00 C ATOM 0 H PHE A 87 -4.076 -9.572 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.186 -12.263 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.759 -9.868 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.630 -11.402 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.844 -12.222 -2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.440 -8.327 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.349 -11.527 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.246 -7.634 -0.472 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.649 -9.233 -0.443 1.00 0.00 H new ATOM 1367 N GLY A 88 -5.859 -11.489 -5.246 1.00 0.00 N ATOM 1368 CA GLY A 88 -7.141 -12.060 -5.747 1.00 0.00 C ATOM 1369 C GLY A 88 -8.247 -11.729 -4.748 1.00 0.00 C ATOM 1370 O GLY A 88 -9.152 -12.506 -4.521 1.00 0.00 O ATOM 0 H GLY A 88 -5.550 -10.636 -5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.381 -11.648 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.052 -13.140 -5.869 1.00 0.00 H new ATOM 1374 N VAL A 89 -8.171 -10.576 -4.146 1.00 0.00 N ATOM 1375 CA VAL A 89 -9.211 -10.181 -3.150 1.00 0.00 C ATOM 1376 C VAL A 89 -10.292 -9.328 -3.811 1.00 0.00 C ATOM 1377 O VAL A 89 -10.060 -8.659 -4.798 1.00 0.00 O ATOM 1378 CB VAL A 89 -8.475 -9.374 -2.089 1.00 0.00 C ATOM 1379 CG1 VAL A 89 -7.449 -10.264 -1.386 1.00 0.00 C ATOM 1380 CG2 VAL A 89 -7.766 -8.200 -2.756 1.00 0.00 C ATOM 0 H VAL A 89 -7.434 -9.888 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.710 -11.052 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.187 -9.001 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.924 -9.684 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.959 -11.103 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.732 -10.640 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.237 -7.618 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.053 -8.575 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.500 -7.567 -3.254 1.00 0.00 H new ATOM 1390 N GLU A 90 -11.473 -9.347 -3.265 1.00 0.00 N ATOM 1391 CA GLU A 90 -12.586 -8.540 -3.844 1.00 0.00 C ATOM 1392 C GLU A 90 -12.412 -7.067 -3.469 1.00 0.00 C ATOM 1393 O GLU A 90 -12.923 -6.606 -2.468 1.00 0.00 O ATOM 1394 CB GLU A 90 -13.858 -9.106 -3.212 1.00 0.00 C ATOM 1395 CG GLU A 90 -14.942 -9.243 -4.283 1.00 0.00 C ATOM 1396 CD GLU A 90 -15.958 -8.110 -4.128 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -16.787 -8.202 -3.238 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -15.891 -7.171 -4.904 1.00 0.00 O ATOM 0 H GLU A 90 -11.719 -9.890 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.615 -8.594 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.652 -10.077 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.203 -8.450 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.493 -9.210 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.440 -10.208 -4.190 1.00 0.00 H new ATOM 1405 N VAL A 91 -11.680 -6.331 -4.257 1.00 0.00 N ATOM 1406 CA VAL A 91 -11.454 -4.907 -3.949 1.00 0.00 C ATOM 1407 C VAL A 91 -12.536 -4.025 -4.568 1.00 0.00 C ATOM 1408 O VAL A 91 -13.130 -4.347 -5.579 1.00 0.00 O ATOM 1409 CB VAL A 91 -10.081 -4.599 -4.533 1.00 0.00 C ATOM 1410 CG1 VAL A 91 -10.162 -4.426 -6.047 1.00 0.00 C ATOM 1411 CG2 VAL A 91 -9.568 -3.318 -3.915 1.00 0.00 C ATOM 0 H VAL A 91 -11.228 -6.666 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.496 -4.707 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.408 -5.428 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.170 -4.207 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.537 -5.344 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.837 -3.603 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.585 -3.085 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.257 -2.504 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.492 -3.440 -2.835 1.00 0.00 H new ATOM 1421 N LYS A 92 -12.777 -2.910 -3.960 1.00 0.00 N ATOM 1422 CA LYS A 92 -13.804 -1.966 -4.479 1.00 0.00 C ATOM 1423 C LYS A 92 -13.208 -0.561 -4.600 1.00 0.00 C ATOM 1424 O LYS A 92 -12.454 -0.122 -3.753 1.00 0.00 O ATOM 1425 CB LYS A 92 -14.925 -1.991 -3.442 1.00 0.00 C ATOM 1426 CG LYS A 92 -16.276 -1.939 -4.155 1.00 0.00 C ATOM 1427 CD LYS A 92 -17.283 -2.808 -3.401 1.00 0.00 C ATOM 1428 CE LYS A 92 -18.258 -1.911 -2.637 1.00 0.00 C ATOM 1429 NZ LYS A 92 -19.178 -2.853 -1.941 1.00 0.00 N ATOM 0 H LYS A 92 -12.302 -2.602 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 92 -14.164 -2.245 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.855 -2.895 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -14.827 -1.144 -2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.633 -0.910 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.172 -2.291 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -17.827 -3.443 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -16.762 -3.470 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.734 -1.273 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -18.803 -1.253 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -19.878 -2.313 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.668 -3.443 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.631 -3.462 -1.299 1.00 0.00 H new ATOM 1443 N LEU A 93 -13.531 0.144 -5.648 1.00 0.00 N ATOM 1444 CA LEU A 93 -12.975 1.517 -5.826 1.00 0.00 C ATOM 1445 C LEU A 93 -13.930 2.561 -5.241 1.00 0.00 C ATOM 1446 O LEU A 93 -15.104 2.585 -5.549 1.00 0.00 O ATOM 1447 CB LEU A 93 -12.850 1.694 -7.338 1.00 0.00 C ATOM 1448 CG LEU A 93 -11.548 1.052 -7.819 1.00 0.00 C ATOM 1449 CD1 LEU A 93 -11.752 0.468 -9.219 1.00 0.00 C ATOM 1450 CD2 LEU A 93 -10.446 2.113 -7.865 1.00 0.00 C ATOM 0 H LEU A 93 -14.156 -0.170 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.020 1.645 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.702 1.235 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.862 2.754 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.260 0.256 -7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.824 0.011 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.538 -0.286 -9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.040 1.263 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.517 1.658 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.735 2.908 -8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.300 2.529 -6.868 1.00 0.00 H new ATOM 1462 N HIS A 94 -13.432 3.427 -4.400 1.00 0.00 N ATOM 1463 CA HIS A 94 -14.312 4.473 -3.798 1.00 0.00 C ATOM 1464 C HIS A 94 -14.329 5.723 -4.684 1.00 0.00 C ATOM 1465 O HIS A 94 -13.332 6.400 -4.839 1.00 0.00 O ATOM 1466 CB HIS A 94 -13.685 4.786 -2.439 1.00 0.00 C ATOM 1467 CG HIS A 94 -14.484 5.861 -1.756 1.00 0.00 C ATOM 1468 ND1 HIS A 94 -13.910 7.046 -1.321 1.00 0.00 N ATOM 1469 CD2 HIS A 94 -15.813 5.945 -1.423 1.00 0.00 C ATOM 1470 CE1 HIS A 94 -14.883 7.786 -0.759 1.00 0.00 C ATOM 1471 NE2 HIS A 94 -16.063 7.161 -0.795 1.00 0.00 N ATOM 0 H HIS A 94 -12.456 3.457 -4.104 1.00 0.00 H new ATOM 0 HA HIS A 94 -15.345 4.138 -3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.661 3.888 -1.822 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.653 5.112 -2.569 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.553 5.183 -1.619 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -14.729 8.766 -0.331 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.956 7.502 -0.439 1.00 0.00 H new ATOM 1909 N SER A 123 -5.976 10.203 7.390 1.00 0.00 N ATOM 1910 CA SER A 123 -6.286 8.810 7.818 1.00 0.00 C ATOM 1911 C SER A 123 -7.802 8.605 7.884 1.00 0.00 C ATOM 1912 O SER A 123 -8.294 7.500 7.779 1.00 0.00 O ATOM 1913 CB SER A 123 -5.665 8.673 9.207 1.00 0.00 C ATOM 1914 OG SER A 123 -4.416 9.350 9.232 1.00 0.00 O ATOM 0 HA SER A 123 -5.894 8.067 7.123 1.00 0.00 H new ATOM 0 HB2 SER A 123 -6.333 9.091 9.960 1.00 0.00 H new ATOM 0 HB3 SER A 123 -5.526 7.620 9.454 1.00 0.00 H new ATOM 0 HG SER A 123 -4.389 10.014 8.512 1.00 0.00 H new ATOM 1920 N ALA A 124 -8.545 9.664 8.057 1.00 0.00 N ATOM 1921 CA ALA A 124 -10.028 9.530 8.128 1.00 0.00 C ATOM 1922 C ALA A 124 -10.595 9.252 6.735 1.00 0.00 C ATOM 1923 O ALA A 124 -11.620 8.615 6.586 1.00 0.00 O ATOM 1924 CB ALA A 124 -10.522 10.879 8.649 1.00 0.00 C ATOM 0 H ALA A 124 -8.190 10.615 8.152 1.00 0.00 H new ATOM 0 HA ALA A 124 -10.341 8.707 8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -11.609 10.862 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -10.088 11.071 9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.222 11.668 7.959 1.00 0.00 H new ATOM 1930 N SER A 125 -9.936 9.725 5.712 1.00 0.00 N ATOM 1931 CA SER A 125 -10.437 9.487 4.328 1.00 0.00 C ATOM 1932 C SER A 125 -10.681 7.992 4.104 1.00 0.00 C ATOM 1933 O SER A 125 -11.560 7.606 3.366 1.00 0.00 O ATOM 1934 CB SER A 125 -9.326 9.996 3.412 1.00 0.00 C ATOM 1935 OG SER A 125 -9.839 10.155 2.095 1.00 0.00 O ATOM 0 H SER A 125 -9.073 10.265 5.775 1.00 0.00 H new ATOM 0 HA SER A 125 -11.383 9.993 4.137 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.941 10.946 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.492 9.294 3.408 1.00 0.00 H new ATOM 0 HG SER A 125 -10.029 9.274 1.710 1.00 0.00 H new ATOM 1941 N ALA A 126 -9.917 7.150 4.747 1.00 0.00 N ATOM 1942 CA ALA A 126 -10.114 5.686 4.577 1.00 0.00 C ATOM 1943 C ALA A 126 -11.264 5.228 5.451 1.00 0.00 C ATOM 1944 O ALA A 126 -12.202 4.629 4.970 1.00 0.00 O ATOM 1945 CB ALA A 126 -8.815 5.027 5.017 1.00 0.00 C ATOM 0 H ALA A 126 -9.165 7.416 5.383 1.00 0.00 H new ATOM 0 HA ALA A 126 -10.353 5.424 3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -8.902 3.945 4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.996 5.386 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.615 5.276 6.059 1.00 0.00 H new ATOM 1951 N VAL A 127 -11.245 5.538 6.726 1.00 0.00 N ATOM 1952 CA VAL A 127 -12.412 5.130 7.560 1.00 0.00 C ATOM 1953 C VAL A 127 -13.643 5.791 6.926 1.00 0.00 C ATOM 1954 O VAL A 127 -14.752 5.307 7.027 1.00 0.00 O ATOM 1955 CB VAL A 127 -12.191 5.568 9.025 1.00 0.00 C ATOM 1956 CG1 VAL A 127 -12.663 4.443 9.921 1.00 0.00 C ATOM 1957 CG2 VAL A 127 -10.723 5.803 9.369 1.00 0.00 C ATOM 0 H VAL A 127 -10.499 6.038 7.209 1.00 0.00 H new ATOM 0 HA VAL A 127 -12.547 4.049 7.587 1.00 0.00 H new ATOM 0 HB VAL A 127 -12.734 6.503 9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -12.519 4.724 10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -13.721 4.252 9.739 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -12.090 3.541 9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -10.638 6.108 10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -10.161 4.882 9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -10.320 6.587 8.728 1.00 0.00 H new ATOM 1967 N ILE A 128 -13.428 6.862 6.188 1.00 0.00 N ATOM 1968 CA ILE A 128 -14.549 7.494 5.456 1.00 0.00 C ATOM 1969 C ILE A 128 -14.915 6.515 4.336 1.00 0.00 C ATOM 1970 O ILE A 128 -16.069 6.201 4.124 1.00 0.00 O ATOM 1971 CB ILE A 128 -13.990 8.822 4.916 1.00 0.00 C ATOM 1972 CG1 ILE A 128 -14.105 9.888 6.003 1.00 0.00 C ATOM 1973 CG2 ILE A 128 -14.773 9.280 3.678 1.00 0.00 C ATOM 1974 CD1 ILE A 128 -15.575 10.083 6.361 1.00 0.00 C ATOM 0 H ILE A 128 -12.522 7.315 6.070 1.00 0.00 H new ATOM 0 HA ILE A 128 -15.440 7.699 6.050 1.00 0.00 H new ATOM 0 HB ILE A 128 -12.947 8.675 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -13.540 9.587 6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -13.675 10.827 5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -14.360 10.221 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -14.695 8.523 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -15.821 9.422 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -15.663 10.843 7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -16.126 10.402 5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -15.988 9.143 6.726 1.00 0.00 H new ATOM 1986 N ILE A 129 -13.920 5.973 3.660 1.00 0.00 N ATOM 1987 CA ILE A 129 -14.224 4.949 2.611 1.00 0.00 C ATOM 1988 C ILE A 129 -14.889 3.781 3.340 1.00 0.00 C ATOM 1989 O ILE A 129 -15.835 3.172 2.875 1.00 0.00 O ATOM 1990 CB ILE A 129 -12.871 4.527 2.022 1.00 0.00 C ATOM 1991 CG1 ILE A 129 -12.316 5.641 1.143 1.00 0.00 C ATOM 1992 CG2 ILE A 129 -13.029 3.268 1.159 1.00 0.00 C ATOM 1993 CD1 ILE A 129 -10.873 5.302 0.782 1.00 0.00 C ATOM 0 H ILE A 129 -12.932 6.193 3.789 1.00 0.00 H new ATOM 0 HA ILE A 129 -14.876 5.305 1.814 1.00 0.00 H new ATOM 0 HB ILE A 129 -12.191 4.324 2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -12.917 5.746 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -12.361 6.595 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -12.060 2.983 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -13.418 2.454 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -13.722 3.471 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -10.461 6.090 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -10.280 5.218 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -10.846 4.355 0.243 1.00 0.00 H new ATOM 2005 N LEU A 130 -14.395 3.512 4.519 1.00 0.00 N ATOM 2006 CA LEU A 130 -14.962 2.435 5.368 1.00 0.00 C ATOM 2007 C LEU A 130 -16.404 2.820 5.732 1.00 0.00 C ATOM 2008 O LEU A 130 -17.286 1.992 5.845 1.00 0.00 O ATOM 2009 CB LEU A 130 -14.048 2.434 6.609 1.00 0.00 C ATOM 2010 CG LEU A 130 -14.103 1.098 7.354 1.00 0.00 C ATOM 2011 CD1 LEU A 130 -15.548 0.689 7.548 1.00 0.00 C ATOM 2012 CD2 LEU A 130 -13.384 0.015 6.559 1.00 0.00 C ATOM 0 H LEU A 130 -13.605 4.007 4.934 1.00 0.00 H new ATOM 0 HA LEU A 130 -14.999 1.454 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -13.022 2.639 6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -14.347 3.238 7.282 1.00 0.00 H new ATOM 0 HG LEU A 130 -13.613 1.217 8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -15.589 -0.262 8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -16.067 1.451 8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -16.030 0.583 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -13.433 -0.928 7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -13.863 -0.101 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.341 0.299 6.418 1.00 0.00 H new ATOM 2024 N GLU A 131 -16.651 4.089 5.891 1.00 0.00 N ATOM 2025 CA GLU A 131 -18.029 4.543 6.218 1.00 0.00 C ATOM 2026 C GLU A 131 -18.938 4.337 5.000 1.00 0.00 C ATOM 2027 O GLU A 131 -20.145 4.273 5.117 1.00 0.00 O ATOM 2028 CB GLU A 131 -17.891 6.031 6.547 1.00 0.00 C ATOM 2029 CG GLU A 131 -17.841 6.216 8.066 1.00 0.00 C ATOM 2030 CD GLU A 131 -18.160 7.671 8.417 1.00 0.00 C ATOM 2031 OE1 GLU A 131 -18.021 8.514 7.548 1.00 0.00 O ATOM 2032 OE2 GLU A 131 -18.536 7.917 9.553 1.00 0.00 O ATOM 0 H GLU A 131 -15.957 4.832 5.808 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.469 3.990 7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.986 6.433 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -18.731 6.586 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -18.557 5.550 8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.854 5.949 8.443 1.00 0.00 H new ATOM 2039 N SER A 132 -18.360 4.241 3.830 1.00 0.00 N ATOM 2040 CA SER A 132 -19.179 4.048 2.599 1.00 0.00 C ATOM 2041 C SER A 132 -19.748 2.626 2.532 1.00 0.00 C ATOM 2042 O SER A 132 -20.921 2.434 2.273 1.00 0.00 O ATOM 2043 CB SER A 132 -18.210 4.285 1.442 1.00 0.00 C ATOM 2044 OG SER A 132 -18.927 4.796 0.326 1.00 0.00 O ATOM 0 H SER A 132 -17.353 4.288 3.675 1.00 0.00 H new ATOM 0 HA SER A 132 -20.033 4.724 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 132 -17.432 4.987 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 132 -17.712 3.354 1.173 1.00 0.00 H new ATOM 0 HG SER A 132 -18.308 4.951 -0.418 1.00 0.00 H new ATOM 2050 N TYR A 133 -18.937 1.624 2.754 1.00 0.00 N ATOM 2051 CA TYR A 133 -19.462 0.230 2.685 1.00 0.00 C ATOM 2052 C TYR A 133 -20.570 0.029 3.737 1.00 0.00 C ATOM 2053 O TYR A 133 -21.570 -0.609 3.473 1.00 0.00 O ATOM 2054 CB TYR A 133 -18.231 -0.676 2.901 1.00 0.00 C ATOM 2055 CG TYR A 133 -18.308 -1.452 4.195 1.00 0.00 C ATOM 2056 CD1 TYR A 133 -18.973 -2.680 4.250 1.00 0.00 C ATOM 2057 CD2 TYR A 133 -17.699 -0.938 5.329 1.00 0.00 C ATOM 2058 CE1 TYR A 133 -19.024 -3.392 5.454 1.00 0.00 C ATOM 2059 CE2 TYR A 133 -17.747 -1.637 6.536 1.00 0.00 C ATOM 2060 CZ TYR A 133 -18.411 -2.871 6.603 1.00 0.00 C ATOM 2061 OH TYR A 133 -18.460 -3.572 7.788 1.00 0.00 O ATOM 0 H TYR A 133 -17.945 1.710 2.977 1.00 0.00 H new ATOM 0 HA TYR A 133 -19.934 -0.009 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -18.145 -1.373 2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -17.329 -0.065 2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -19.447 -3.079 3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -17.184 0.010 5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 133 -19.535 -4.342 5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 133 -17.274 -1.229 7.417 1.00 0.00 H new ATOM 0 HH TYR A 133 -18.097 -3.019 8.511 1.00 0.00 H new ATOM 2071 N PHE A 134 -20.410 0.571 4.921 1.00 0.00 N ATOM 2072 CA PHE A 134 -21.478 0.393 5.957 1.00 0.00 C ATOM 2073 C PHE A 134 -22.834 0.811 5.383 1.00 0.00 C ATOM 2074 O PHE A 134 -23.837 0.155 5.586 1.00 0.00 O ATOM 2075 CB PHE A 134 -21.097 1.314 7.120 1.00 0.00 C ATOM 2076 CG PHE A 134 -20.028 0.665 7.968 1.00 0.00 C ATOM 2077 CD1 PHE A 134 -20.122 -0.689 8.316 1.00 0.00 C ATOM 2078 CD2 PHE A 134 -18.934 1.421 8.400 1.00 0.00 C ATOM 2079 CE1 PHE A 134 -19.120 -1.282 9.094 1.00 0.00 C ATOM 2080 CE2 PHE A 134 -17.931 0.825 9.170 1.00 0.00 C ATOM 2081 CZ PHE A 134 -18.022 -0.525 9.518 1.00 0.00 C ATOM 0 H PHE A 134 -19.601 1.120 5.212 1.00 0.00 H new ATOM 0 HA PHE A 134 -21.557 -0.646 6.278 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -20.737 2.268 6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -21.976 1.526 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -20.967 -1.275 7.984 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -18.864 2.467 8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -19.195 -2.324 9.367 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -17.084 1.410 9.497 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.246 -0.984 10.113 1.00 0.00 H new ATOM 2091 N GLU A 135 -22.870 1.901 4.666 1.00 0.00 N ATOM 2092 CA GLU A 135 -24.157 2.366 4.077 1.00 0.00 C ATOM 2093 C GLU A 135 -24.484 1.570 2.809 1.00 0.00 C ATOM 2094 O GLU A 135 -25.610 1.552 2.353 1.00 0.00 O ATOM 2095 CB GLU A 135 -23.924 3.839 3.739 1.00 0.00 C ATOM 2096 CG GLU A 135 -25.260 4.510 3.410 1.00 0.00 C ATOM 2097 CD GLU A 135 -25.977 4.883 4.708 1.00 0.00 C ATOM 2098 OE1 GLU A 135 -25.296 5.142 5.686 1.00 0.00 O ATOM 2099 OE2 GLU A 135 -27.198 4.906 4.701 1.00 0.00 O ATOM 0 H GLU A 135 -22.062 2.490 4.463 1.00 0.00 H new ATOM 0 HA GLU A 135 -24.996 2.228 4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -23.449 4.344 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -23.244 3.925 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -25.092 5.402 2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -25.881 3.837 2.819 1.00 0.00 H new