USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 748 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 9 MET CE :methyl -160:sc=-0.00473 (180deg=-0.215) USER MOD Set 1.2: A 60 MET CE :methyl -174:sc= -0.223 (180deg=-0.226) USER MOD Set 2.1: A 11 GLN : amide:sc= -0.614 K(o=-0.53,f=-1.5) USER MOD Set 2.2: A 93 SER OG : rot -105:sc= 0.0858 USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.0149 (180deg=-0.141) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0571 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 150:sc= -0.0174 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.695 K(o=0.7,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1 K(o=-1,f=-4.5!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= -0.786 (180deg=-0.957) USER MOD Single : A 46 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.73) USER MOD Single : A 47 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.3!) USER MOD Single : A 52 SER OG : rot 80:sc= 0.299 USER MOD Single : A 56 SER OG : rot 160:sc= 0.0871 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 71:sc= 0.63 USER MOD Single : A 62 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.35) USER MOD Single : A 63 TYR OH : rot -26:sc= -0.174 USER MOD Single : A 66 SER OG : rot 89:sc= 1.17 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 80 MET CE :methyl 151:sc= -2.17 (180deg=-3.87!) USER MOD Single : A 82 TYR OH : rot -2:sc= -1.77 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.5!) USER MOD Single : A 94 SER OG : rot 39:sc= 0.615 USER MOD Single : A 95 SER OG : rot 180:sc= -0.0419 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 44:sc= 0.977 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.221 7.058 8.822 1.00 0.00 N ATOM 2 CA GLY A 1 19.558 8.230 9.676 1.00 0.00 C ATOM 3 C GLY A 1 18.887 9.504 9.202 1.00 0.00 C ATOM 4 O GLY A 1 19.401 10.602 9.417 1.00 0.00 O ATOM 0 H1 GLY A 1 19.841 6.260 9.068 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.229 6.787 8.979 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.357 7.307 7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.258 8.025 10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.639 8.373 9.682 1.00 0.00 H new ATOM 10 N SER A 2 17.734 9.359 8.557 1.00 0.00 N ATOM 11 CA SER A 2 16.990 10.507 8.051 1.00 0.00 C ATOM 12 C SER A 2 16.223 11.196 9.174 1.00 0.00 C ATOM 13 O SER A 2 16.316 10.801 10.336 1.00 0.00 O ATOM 14 CB SER A 2 16.023 10.070 6.950 1.00 0.00 C ATOM 15 OG SER A 2 15.516 8.770 7.201 1.00 0.00 O ATOM 0 H SER A 2 17.294 8.457 8.372 1.00 0.00 H new ATOM 0 HA SER A 2 17.705 11.217 7.635 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.198 10.779 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.533 10.085 5.987 1.00 0.00 H new ATOM 0 HG SER A 2 14.899 8.515 6.483 1.00 0.00 H new ATOM 21 N SER A 3 15.466 12.229 8.820 1.00 0.00 N ATOM 22 CA SER A 3 14.682 12.974 9.798 1.00 0.00 C ATOM 23 C SER A 3 13.210 12.578 9.731 1.00 0.00 C ATOM 24 O SER A 3 12.325 13.394 9.991 1.00 0.00 O ATOM 25 CB SER A 3 14.829 14.479 9.562 1.00 0.00 C ATOM 26 OG SER A 3 14.517 14.817 8.221 1.00 0.00 O ATOM 0 H SER A 3 15.379 12.569 7.862 1.00 0.00 H new ATOM 0 HA SER A 3 15.060 12.731 10.791 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.171 15.023 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.849 14.788 9.791 1.00 0.00 H new ATOM 0 HG SER A 3 14.617 15.784 8.096 1.00 0.00 H new ATOM 32 N GLY A 4 12.956 11.322 9.382 1.00 0.00 N ATOM 33 CA GLY A 4 11.589 10.839 9.288 1.00 0.00 C ATOM 34 C GLY A 4 11.232 10.377 7.889 1.00 0.00 C ATOM 35 O GLY A 4 11.461 9.222 7.532 1.00 0.00 O ATOM 0 H GLY A 4 13.671 10.629 9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.450 10.014 9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.905 11.632 9.591 1.00 0.00 H new ATOM 39 N SER A 5 10.667 11.282 7.095 1.00 0.00 N ATOM 40 CA SER A 5 10.276 10.960 5.728 1.00 0.00 C ATOM 41 C SER A 5 9.247 9.835 5.707 1.00 0.00 C ATOM 42 O SER A 5 9.597 8.660 5.599 1.00 0.00 O ATOM 43 CB SER A 5 11.502 10.560 4.905 1.00 0.00 C ATOM 44 OG SER A 5 11.137 10.217 3.579 1.00 0.00 O ATOM 0 H SER A 5 10.470 12.243 7.375 1.00 0.00 H new ATOM 0 HA SER A 5 9.825 11.849 5.287 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.216 11.383 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.001 9.715 5.378 1.00 0.00 H new ATOM 0 HG SER A 5 11.938 9.967 3.073 1.00 0.00 H new ATOM 50 N SER A 6 7.974 10.204 5.812 1.00 0.00 N ATOM 51 CA SER A 6 6.892 9.225 5.805 1.00 0.00 C ATOM 52 C SER A 6 6.291 9.089 4.411 1.00 0.00 C ATOM 53 O SER A 6 6.557 9.903 3.527 1.00 0.00 O ATOM 54 CB SER A 6 5.807 9.628 6.805 1.00 0.00 C ATOM 55 OG SER A 6 5.181 8.487 7.366 1.00 0.00 O ATOM 0 H SER A 6 7.667 11.172 5.903 1.00 0.00 H new ATOM 0 HA SER A 6 7.306 8.260 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.246 10.233 7.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.061 10.248 6.307 1.00 0.00 H new ATOM 0 HG SER A 6 4.878 8.694 8.275 1.00 0.00 H new ATOM 61 N GLY A 7 5.476 8.055 4.221 1.00 0.00 N ATOM 62 CA GLY A 7 4.849 7.832 2.932 1.00 0.00 C ATOM 63 C GLY A 7 3.438 8.383 2.871 1.00 0.00 C ATOM 64 O GLY A 7 3.000 9.091 3.778 1.00 0.00 O ATOM 0 H GLY A 7 5.239 7.368 4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.452 8.298 2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.828 6.763 2.722 1.00 0.00 H new ATOM 68 N ASP A 8 2.724 8.058 1.798 1.00 0.00 N ATOM 69 CA ASP A 8 1.354 8.525 1.621 1.00 0.00 C ATOM 70 C ASP A 8 0.354 7.449 2.035 1.00 0.00 C ATOM 71 O ASP A 8 -0.727 7.338 1.460 1.00 0.00 O ATOM 72 CB ASP A 8 1.113 8.926 0.165 1.00 0.00 C ATOM 73 CG ASP A 8 1.891 10.167 -0.228 1.00 0.00 C ATOM 74 OD1 ASP A 8 3.128 10.070 -0.376 1.00 0.00 O ATOM 75 OD2 ASP A 8 1.264 11.235 -0.390 1.00 0.00 O ATOM 0 H ASP A 8 3.072 7.473 1.038 1.00 0.00 H new ATOM 0 HA ASP A 8 1.209 9.396 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.396 8.101 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.049 9.104 0.011 1.00 0.00 H new ATOM 80 N MET A 9 0.725 6.660 3.039 1.00 0.00 N ATOM 81 CA MET A 9 -0.139 5.592 3.531 1.00 0.00 C ATOM 82 C MET A 9 -0.960 6.063 4.727 1.00 0.00 C ATOM 83 O MET A 9 -2.059 5.563 4.973 1.00 0.00 O ATOM 84 CB MET A 9 0.697 4.371 3.920 1.00 0.00 C ATOM 85 CG MET A 9 1.248 3.606 2.727 1.00 0.00 C ATOM 86 SD MET A 9 -0.051 2.902 1.693 1.00 0.00 S ATOM 87 CE MET A 9 -0.658 1.594 2.755 1.00 0.00 C ATOM 0 H MET A 9 1.617 6.740 3.527 1.00 0.00 H new ATOM 0 HA MET A 9 -0.825 5.315 2.730 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.527 4.694 4.548 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.085 3.699 4.521 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.864 4.274 2.125 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.898 2.806 3.082 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.194 0.858 2.156 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.182 1.112 3.256 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.332 2.015 3.501 1.00 0.00 H new ATOM 97 N LYS A 10 -0.421 7.025 5.470 1.00 0.00 N ATOM 98 CA LYS A 10 -1.104 7.562 6.642 1.00 0.00 C ATOM 99 C LYS A 10 -2.484 8.099 6.272 1.00 0.00 C ATOM 100 O LYS A 10 -3.416 8.046 7.074 1.00 0.00 O ATOM 101 CB LYS A 10 -0.267 8.671 7.282 1.00 0.00 C ATOM 102 CG LYS A 10 0.646 8.180 8.394 1.00 0.00 C ATOM 103 CD LYS A 10 1.913 9.014 8.485 1.00 0.00 C ATOM 104 CE LYS A 10 2.264 9.342 9.927 1.00 0.00 C ATOM 105 NZ LYS A 10 3.185 10.507 10.025 1.00 0.00 N ATOM 0 H LYS A 10 0.487 7.449 5.281 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.231 6.751 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.338 9.149 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.935 9.434 7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.115 8.218 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.908 7.137 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.739 8.474 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.782 9.938 7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.351 9.554 10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.727 8.473 10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.399 10.697 11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.067 10.296 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.733 11.343 9.603 1.00 0.00 H new ATOM 119 N GLN A 11 -2.606 8.616 5.054 1.00 0.00 N ATOM 120 CA GLN A 11 -3.872 9.162 4.580 1.00 0.00 C ATOM 121 C GLN A 11 -4.938 8.075 4.501 1.00 0.00 C ATOM 122 O GLN A 11 -6.126 8.340 4.692 1.00 0.00 O ATOM 123 CB GLN A 11 -3.689 9.814 3.207 1.00 0.00 C ATOM 124 CG GLN A 11 -3.067 8.889 2.174 1.00 0.00 C ATOM 125 CD GLN A 11 -3.606 9.130 0.777 1.00 0.00 C ATOM 126 OE1 GLN A 11 -4.313 8.290 0.219 1.00 0.00 O ATOM 127 NE2 GLN A 11 -3.274 10.281 0.204 1.00 0.00 N ATOM 0 H GLN A 11 -1.844 8.668 4.378 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.202 9.918 5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.659 10.153 2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.062 10.699 3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.986 9.028 2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.255 7.854 2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.686 10.948 0.703 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.607 10.498 -0.735 1.00 0.00 H new ATOM 136 N LEU A 12 -4.508 6.849 4.219 1.00 0.00 N ATOM 137 CA LEU A 12 -5.426 5.721 4.115 1.00 0.00 C ATOM 138 C LEU A 12 -5.999 5.358 5.482 1.00 0.00 C ATOM 139 O LEU A 12 -5.261 5.201 6.453 1.00 0.00 O ATOM 140 CB LEU A 12 -4.714 4.510 3.509 1.00 0.00 C ATOM 141 CG LEU A 12 -4.842 4.376 1.991 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.974 3.236 1.480 1.00 0.00 C ATOM 143 CD2 LEU A 12 -6.296 4.158 1.598 1.00 0.00 C ATOM 0 H LEU A 12 -3.529 6.612 4.058 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.249 6.013 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.656 4.564 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.109 3.606 3.973 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.496 5.302 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.078 3.156 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.931 3.432 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.289 2.302 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.370 4.065 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.667 3.247 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.894 5.006 1.931 1.00 0.00 H new ATOM 155 N ALA A 13 -7.321 5.225 5.548 1.00 0.00 N ATOM 156 CA ALA A 13 -7.991 4.881 6.795 1.00 0.00 C ATOM 157 C ALA A 13 -7.632 3.467 7.238 1.00 0.00 C ATOM 158 O ALA A 13 -7.283 2.619 6.418 1.00 0.00 O ATOM 159 CB ALA A 13 -9.498 5.020 6.639 1.00 0.00 C ATOM 0 H ALA A 13 -7.947 5.350 4.753 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.651 5.573 7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.987 4.760 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.743 6.049 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.846 4.351 5.852 1.00 0.00 H new ATOM 165 N GLU A 14 -7.718 3.221 8.542 1.00 0.00 N ATOM 166 CA GLU A 14 -7.400 1.909 9.095 1.00 0.00 C ATOM 167 C GLU A 14 -8.302 0.833 8.498 1.00 0.00 C ATOM 168 O GLU A 14 -7.899 -0.321 8.356 1.00 0.00 O ATOM 169 CB GLU A 14 -7.543 1.926 10.618 1.00 0.00 C ATOM 170 CG GLU A 14 -6.464 1.135 11.339 1.00 0.00 C ATOM 171 CD GLU A 14 -5.338 2.015 11.847 1.00 0.00 C ATOM 172 OE1 GLU A 14 -4.863 2.874 11.076 1.00 0.00 O ATOM 173 OE2 GLU A 14 -4.933 1.845 13.016 1.00 0.00 O ATOM 0 H GLU A 14 -8.005 3.912 9.235 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.367 1.674 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.518 2.959 10.965 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.519 1.522 10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.910 0.601 12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.056 0.384 10.663 1.00 0.00 H new ATOM 180 N ASP A 15 -9.526 1.219 8.151 1.00 0.00 N ATOM 181 CA ASP A 15 -10.486 0.288 7.571 1.00 0.00 C ATOM 182 C ASP A 15 -10.063 -0.127 6.166 1.00 0.00 C ATOM 183 O ASP A 15 -10.286 -1.263 5.749 1.00 0.00 O ATOM 184 CB ASP A 15 -11.878 0.918 7.531 1.00 0.00 C ATOM 185 CG ASP A 15 -12.476 1.086 8.915 1.00 0.00 C ATOM 186 OD1 ASP A 15 -11.869 1.801 9.741 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.550 0.502 9.173 1.00 0.00 O ATOM 0 H ASP A 15 -9.876 2.171 8.262 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.515 -0.602 8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.820 1.891 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.538 0.297 6.926 1.00 0.00 H new ATOM 192 N VAL A 16 -9.451 0.803 5.439 1.00 0.00 N ATOM 193 CA VAL A 16 -8.996 0.534 4.080 1.00 0.00 C ATOM 194 C VAL A 16 -7.947 -0.573 4.061 1.00 0.00 C ATOM 195 O VAL A 16 -7.988 -1.467 3.215 1.00 0.00 O ATOM 196 CB VAL A 16 -8.406 1.798 3.424 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.077 1.539 1.959 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.365 2.971 3.565 1.00 0.00 C ATOM 0 H VAL A 16 -9.259 1.749 5.769 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.869 0.213 3.511 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.480 2.053 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.662 2.443 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.348 0.732 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.985 1.257 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.931 3.854 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.310 2.729 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.542 3.171 4.622 1.00 0.00 H new ATOM 208 N LYS A 17 -7.008 -0.508 5.000 1.00 0.00 N ATOM 209 CA LYS A 17 -5.948 -1.504 5.091 1.00 0.00 C ATOM 210 C LYS A 17 -6.455 -2.782 5.753 1.00 0.00 C ATOM 211 O LYS A 17 -5.980 -3.877 5.455 1.00 0.00 O ATOM 212 CB LYS A 17 -4.761 -0.946 5.877 1.00 0.00 C ATOM 213 CG LYS A 17 -4.152 0.302 5.257 1.00 0.00 C ATOM 214 CD LYS A 17 -4.445 1.542 6.089 1.00 0.00 C ATOM 215 CE LYS A 17 -3.228 2.448 6.185 1.00 0.00 C ATOM 216 NZ LYS A 17 -3.066 3.017 7.552 1.00 0.00 N ATOM 0 H LYS A 17 -6.960 0.224 5.708 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.624 -1.745 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.084 -0.716 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.993 -1.715 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.074 0.173 5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.546 0.438 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.275 2.092 5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.758 1.244 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.334 1.885 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.321 3.259 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.225 3.629 7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.908 3.576 7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.951 2.244 8.238 1.00 0.00 H new ATOM 230 N LEU A 18 -7.423 -2.633 6.652 1.00 0.00 N ATOM 231 CA LEU A 18 -7.994 -3.775 7.356 1.00 0.00 C ATOM 232 C LEU A 18 -8.613 -4.766 6.377 1.00 0.00 C ATOM 233 O LEU A 18 -8.588 -5.976 6.604 1.00 0.00 O ATOM 234 CB LEU A 18 -9.048 -3.306 8.360 1.00 0.00 C ATOM 235 CG LEU A 18 -8.511 -2.963 9.750 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.390 -1.917 10.420 1.00 0.00 C ATOM 237 CD2 LEU A 18 -8.420 -4.215 10.610 1.00 0.00 C ATOM 0 H LEU A 18 -7.828 -1.733 6.910 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.189 -4.278 7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.549 -2.427 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.803 -4.085 8.461 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.509 -2.548 9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.992 -1.686 11.408 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.404 -1.011 9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.404 -2.303 10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.036 -3.952 11.596 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.410 -4.659 10.713 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.748 -4.932 10.138 1.00 0.00 H new ATOM 249 N GLN A 19 -9.168 -4.247 5.288 1.00 0.00 N ATOM 250 CA GLN A 19 -9.797 -5.087 4.275 1.00 0.00 C ATOM 251 C GLN A 19 -8.747 -5.752 3.391 1.00 0.00 C ATOM 252 O GLN A 19 -8.919 -6.890 2.955 1.00 0.00 O ATOM 253 CB GLN A 19 -10.752 -4.258 3.416 1.00 0.00 C ATOM 254 CG GLN A 19 -11.842 -3.562 4.215 1.00 0.00 C ATOM 255 CD GLN A 19 -12.556 -2.489 3.418 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.350 -2.787 2.526 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.276 -1.231 3.736 1.00 0.00 N ATOM 0 H GLN A 19 -9.195 -3.248 5.084 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.363 -5.866 4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.179 -3.509 2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.216 -4.907 2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.568 -4.302 4.553 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.404 -3.115 5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.611 -1.030 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.726 -0.466 3.234 1.00 0.00 H new ATOM 266 N LEU A 20 -7.659 -5.034 3.128 1.00 0.00 N ATOM 267 CA LEU A 20 -6.581 -5.555 2.295 1.00 0.00 C ATOM 268 C LEU A 20 -6.020 -6.851 2.873 1.00 0.00 C ATOM 269 O LEU A 20 -5.595 -7.739 2.135 1.00 0.00 O ATOM 270 CB LEU A 20 -5.464 -4.518 2.163 1.00 0.00 C ATOM 271 CG LEU A 20 -5.682 -3.466 1.073 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.892 -2.203 1.382 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.289 -4.023 -0.288 1.00 0.00 C ATOM 0 H LEU A 20 -7.501 -4.090 3.480 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.991 -5.767 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.347 -4.009 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.528 -5.039 1.962 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.741 -3.209 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.060 -1.467 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.219 -1.794 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.830 -2.442 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.450 -3.263 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.237 -4.307 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.899 -4.898 -0.513 1.00 0.00 H new ATOM 285 N TYR A 21 -6.024 -6.950 4.199 1.00 0.00 N ATOM 286 CA TYR A 21 -5.516 -8.138 4.876 1.00 0.00 C ATOM 287 C TYR A 21 -6.326 -9.372 4.494 1.00 0.00 C ATOM 288 O TYR A 21 -5.772 -10.451 4.286 1.00 0.00 O ATOM 289 CB TYR A 21 -5.553 -7.939 6.392 1.00 0.00 C ATOM 290 CG TYR A 21 -4.756 -6.746 6.868 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.484 -6.491 6.370 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.277 -5.872 7.814 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.753 -5.402 6.802 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.552 -4.779 8.252 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.291 -4.548 7.742 1.00 0.00 C ATOM 296 OH TYR A 21 -2.567 -3.461 8.175 1.00 0.00 O ATOM 0 H TYR A 21 -6.373 -6.224 4.825 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.484 -8.292 4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.589 -7.822 6.709 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.171 -8.837 6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.060 -7.156 5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.264 -6.049 8.214 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.765 -5.220 6.406 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.971 -4.110 8.989 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.090 -2.962 8.836 1.00 0.00 H new ATOM 306 N LYS A 22 -7.642 -9.206 4.404 1.00 0.00 N ATOM 307 CA LYS A 22 -8.529 -10.307 4.048 1.00 0.00 C ATOM 308 C LYS A 22 -8.256 -10.790 2.628 1.00 0.00 C ATOM 309 O LYS A 22 -8.222 -11.994 2.367 1.00 0.00 O ATOM 310 CB LYS A 22 -9.991 -9.874 4.179 1.00 0.00 C ATOM 311 CG LYS A 22 -10.377 -9.454 5.587 1.00 0.00 C ATOM 312 CD LYS A 22 -11.858 -9.122 5.685 1.00 0.00 C ATOM 313 CE LYS A 22 -12.718 -10.367 5.542 1.00 0.00 C ATOM 314 NZ LYS A 22 -13.850 -10.374 6.510 1.00 0.00 N ATOM 0 H LYS A 22 -8.117 -8.319 4.573 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.337 -11.131 4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.178 -9.044 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.634 -10.696 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.136 -10.255 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.788 -8.586 5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.063 -8.645 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.123 -8.404 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.109 -10.424 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.103 -11.253 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.412 -11.239 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.477 -10.346 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.452 -9.542 6.346 1.00 0.00 H new ATOM 328 N LEU A 23 -8.061 -9.847 1.713 1.00 0.00 N ATOM 329 CA LEU A 23 -7.790 -10.178 0.318 1.00 0.00 C ATOM 330 C LEU A 23 -6.463 -10.918 0.182 1.00 0.00 C ATOM 331 O LEU A 23 -6.411 -12.027 -0.349 1.00 0.00 O ATOM 332 CB LEU A 23 -7.770 -8.908 -0.534 1.00 0.00 C ATOM 333 CG LEU A 23 -9.148 -8.350 -0.897 1.00 0.00 C ATOM 334 CD1 LEU A 23 -9.111 -6.830 -0.949 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.619 -8.919 -2.226 1.00 0.00 C ATOM 0 H LEU A 23 -8.085 -8.847 1.912 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.587 -10.832 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.213 -8.139 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.225 -9.115 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.856 -8.650 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.099 -6.451 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.817 -6.440 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.390 -6.509 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.600 -8.512 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.910 -8.649 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.684 -10.005 -2.154 1.00 0.00 H new ATOM 347 N LEU A 24 -5.393 -10.296 0.663 1.00 0.00 N ATOM 348 CA LEU A 24 -4.063 -10.894 0.595 1.00 0.00 C ATOM 349 C LEU A 24 -4.014 -12.208 1.370 1.00 0.00 C ATOM 350 O LEU A 24 -3.215 -13.093 1.060 1.00 0.00 O ATOM 351 CB LEU A 24 -3.017 -9.924 1.145 1.00 0.00 C ATOM 352 CG LEU A 24 -3.024 -8.534 0.508 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.049 -7.612 1.224 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.683 -8.628 -0.972 1.00 0.00 C ATOM 0 H LEU A 24 -5.419 -9.377 1.105 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.840 -11.104 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.173 -9.816 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.029 -10.364 1.009 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.025 -8.114 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.068 -6.628 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.336 -7.521 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.042 -8.025 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.692 -7.631 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.693 -9.068 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.420 -9.253 -1.476 1.00 0.00 H new ATOM 366 N GLU A 25 -4.870 -12.330 2.380 1.00 0.00 N ATOM 367 CA GLU A 25 -4.922 -13.536 3.199 1.00 0.00 C ATOM 368 C GLU A 25 -5.193 -14.771 2.343 1.00 0.00 C ATOM 369 O GLU A 25 -4.806 -15.883 2.702 1.00 0.00 O ATOM 370 CB GLU A 25 -5.999 -13.397 4.277 1.00 0.00 C ATOM 371 CG GLU A 25 -5.438 -13.155 5.670 1.00 0.00 C ATOM 372 CD GLU A 25 -4.711 -14.365 6.224 1.00 0.00 C ATOM 373 OE1 GLU A 25 -5.389 -15.283 6.732 1.00 0.00 O ATOM 374 OE2 GLU A 25 -3.465 -14.395 6.150 1.00 0.00 O ATOM 0 H GLU A 25 -5.537 -11.608 2.651 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.951 -13.661 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.661 -12.573 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.606 -14.302 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.754 -12.307 5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.251 -12.885 6.343 1.00 0.00 H new ATOM 381 N ILE A 26 -5.858 -14.570 1.210 1.00 0.00 N ATOM 382 CA ILE A 26 -6.177 -15.669 0.308 1.00 0.00 C ATOM 383 C ILE A 26 -4.905 -16.358 -0.189 1.00 0.00 C ATOM 384 O ILE A 26 -4.070 -15.733 -0.842 1.00 0.00 O ATOM 385 CB ILE A 26 -6.992 -15.181 -0.908 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.229 -14.409 -0.446 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.396 -16.357 -1.789 1.00 0.00 C ATOM 388 CD1 ILE A 26 -9.041 -13.834 -1.586 1.00 0.00 C ATOM 0 H ILE A 26 -6.186 -13.657 0.895 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.777 -16.381 0.875 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.365 -14.511 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.863 -15.072 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.917 -13.598 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.970 -15.993 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.502 -16.869 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.006 -17.052 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.903 -13.300 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.423 -13.145 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.383 -14.642 -2.233 1.00 0.00 H new ATOM 400 N PRO A 27 -4.737 -17.660 0.114 1.00 0.00 N ATOM 401 CA PRO A 27 -3.558 -18.419 -0.310 1.00 0.00 C ATOM 402 C PRO A 27 -3.587 -18.754 -1.798 1.00 0.00 C ATOM 403 O PRO A 27 -3.604 -19.924 -2.182 1.00 0.00 O ATOM 404 CB PRO A 27 -3.645 -19.695 0.529 1.00 0.00 C ATOM 405 CG PRO A 27 -5.100 -19.876 0.785 1.00 0.00 C ATOM 406 CD PRO A 27 -5.680 -18.491 0.890 1.00 0.00 C ATOM 0 HA PRO A 27 -2.635 -17.858 -0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.227 -20.549 -0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.088 -19.596 1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.571 -20.436 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.267 -20.439 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.688 -18.446 0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.745 -18.161 1.927 1.00 0.00 H new ATOM 414 N ASP A 28 -3.592 -17.719 -2.632 1.00 0.00 N ATOM 415 CA ASP A 28 -3.619 -17.903 -4.078 1.00 0.00 C ATOM 416 C ASP A 28 -2.271 -17.540 -4.698 1.00 0.00 C ATOM 417 O ASP A 28 -1.496 -16.781 -4.116 1.00 0.00 O ATOM 418 CB ASP A 28 -4.728 -17.051 -4.700 1.00 0.00 C ATOM 419 CG ASP A 28 -6.016 -17.830 -4.891 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.939 -19.046 -5.164 1.00 0.00 O ATOM 421 OD2 ASP A 28 -7.100 -17.222 -4.768 1.00 0.00 O ATOM 0 H ASP A 28 -3.578 -16.745 -2.331 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.821 -18.954 -4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.920 -16.187 -4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.392 -16.668 -5.664 1.00 0.00 H new ATOM 426 N PRO A 29 -1.974 -18.079 -5.892 1.00 0.00 N ATOM 427 CA PRO A 29 -0.712 -17.807 -6.590 1.00 0.00 C ATOM 428 C PRO A 29 -0.618 -16.363 -7.070 1.00 0.00 C ATOM 429 O PRO A 29 0.475 -15.808 -7.189 1.00 0.00 O ATOM 430 CB PRO A 29 -0.747 -18.767 -7.783 1.00 0.00 C ATOM 431 CG PRO A 29 -2.194 -19.035 -8.012 1.00 0.00 C ATOM 432 CD PRO A 29 -2.843 -18.994 -6.656 1.00 0.00 C ATOM 0 HA PRO A 29 0.151 -17.949 -5.940 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.283 -18.322 -8.663 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.203 -19.687 -7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.629 -18.288 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.341 -20.006 -8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.867 -18.624 -6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.885 -19.983 -6.200 1.00 0.00 H new ATOM 440 N ASP A 30 -1.769 -15.759 -7.344 1.00 0.00 N ATOM 441 CA ASP A 30 -1.816 -14.378 -7.811 1.00 0.00 C ATOM 442 C ASP A 30 -2.757 -13.545 -6.946 1.00 0.00 C ATOM 443 O ASP A 30 -3.386 -12.601 -7.427 1.00 0.00 O ATOM 444 CB ASP A 30 -2.265 -14.326 -9.272 1.00 0.00 C ATOM 445 CG ASP A 30 -1.430 -15.222 -10.166 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.204 -15.001 -10.248 1.00 0.00 O ATOM 447 OD2 ASP A 30 -2.003 -16.143 -10.784 1.00 0.00 O ATOM 0 H ASP A 30 -2.682 -16.204 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.813 -13.959 -7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.311 -14.625 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.203 -13.299 -9.632 1.00 0.00 H new ATOM 452 N LYS A 31 -2.850 -13.901 -5.670 1.00 0.00 N ATOM 453 CA LYS A 31 -3.715 -13.187 -4.738 1.00 0.00 C ATOM 454 C LYS A 31 -3.264 -13.412 -3.298 1.00 0.00 C ATOM 455 O LYS A 31 -4.083 -13.455 -2.380 1.00 0.00 O ATOM 456 CB LYS A 31 -5.167 -13.639 -4.909 1.00 0.00 C ATOM 457 CG LYS A 31 -5.964 -12.771 -5.869 1.00 0.00 C ATOM 458 CD LYS A 31 -7.438 -12.738 -5.497 1.00 0.00 C ATOM 459 CE LYS A 31 -8.312 -12.427 -6.702 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.484 -13.341 -6.788 1.00 0.00 N ATOM 0 H LYS A 31 -2.337 -14.680 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.646 -12.122 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.179 -14.668 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.657 -13.635 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.563 -11.757 -5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.852 -13.152 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.729 -13.700 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.602 -11.987 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.660 -11.396 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.718 -12.511 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.055 -13.096 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.153 -14.323 -6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.065 -13.243 -5.931 1.00 0.00 H new ATOM 474 N ASN A 32 -1.956 -13.553 -3.107 1.00 0.00 N ATOM 475 CA ASN A 32 -1.397 -13.772 -1.778 1.00 0.00 C ATOM 476 C ASN A 32 -0.591 -12.561 -1.321 1.00 0.00 C ATOM 477 O ASN A 32 -0.136 -11.761 -2.138 1.00 0.00 O ATOM 478 CB ASN A 32 -0.512 -15.020 -1.773 1.00 0.00 C ATOM 479 CG ASN A 32 0.029 -15.340 -0.394 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.237 -15.478 -0.205 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.866 -15.459 0.580 1.00 0.00 N ATOM 0 H ASN A 32 -1.264 -13.519 -3.855 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.224 -13.919 -1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.086 -15.870 -2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.320 -14.875 -2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.561 -15.673 1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.858 -15.336 0.379 1.00 0.00 H new ATOM 488 N TRP A 33 -0.418 -12.432 -0.010 1.00 0.00 N ATOM 489 CA TRP A 33 0.333 -11.318 0.556 1.00 0.00 C ATOM 490 C TRP A 33 1.800 -11.385 0.143 1.00 0.00 C ATOM 491 O TRP A 33 2.457 -10.357 -0.022 1.00 0.00 O ATOM 492 CB TRP A 33 0.222 -11.323 2.082 1.00 0.00 C ATOM 493 CG TRP A 33 0.616 -12.629 2.702 1.00 0.00 C ATOM 494 CD1 TRP A 33 -0.212 -13.665 3.028 1.00 0.00 C ATOM 495 CD2 TRP A 33 1.938 -13.039 3.071 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.514 -14.693 3.577 1.00 0.00 N ATOM 497 CE2 TRP A 33 1.837 -14.334 3.614 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.197 -12.438 2.994 1.00 0.00 C ATOM 499 CZ2 TRP A 33 2.946 -15.037 4.077 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.298 -13.136 3.455 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.166 -14.424 3.989 1.00 0.00 C ATOM 0 H TRP A 33 -0.788 -13.085 0.680 1.00 0.00 H new ATOM 0 HA TRP A 33 -0.094 -10.392 0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.852 -10.532 2.488 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.804 -11.090 2.365 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.281 -13.674 2.876 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.131 -15.580 3.904 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.308 -11.446 2.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.847 -16.030 4.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.276 -12.680 3.402 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.046 -14.944 4.339 1.00 0.00 H new ATOM 512 N ALA A 34 2.307 -12.603 -0.023 1.00 0.00 N ATOM 513 CA ALA A 34 3.695 -12.805 -0.419 1.00 0.00 C ATOM 514 C ALA A 34 3.964 -12.222 -1.801 1.00 0.00 C ATOM 515 O ALA A 34 4.969 -11.544 -2.016 1.00 0.00 O ATOM 516 CB ALA A 34 4.039 -14.287 -0.392 1.00 0.00 C ATOM 0 H ALA A 34 1.777 -13.464 0.111 1.00 0.00 H new ATOM 0 HA ALA A 34 4.331 -12.281 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.078 -14.425 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.896 -14.675 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.389 -14.824 -1.083 1.00 0.00 H new ATOM 522 N THR A 35 3.060 -12.492 -2.737 1.00 0.00 N ATOM 523 CA THR A 35 3.200 -11.994 -4.101 1.00 0.00 C ATOM 524 C THR A 35 3.231 -10.469 -4.122 1.00 0.00 C ATOM 525 O THR A 35 3.922 -9.864 -4.942 1.00 0.00 O ATOM 526 CB THR A 35 2.051 -12.505 -4.973 1.00 0.00 C ATOM 527 OG1 THR A 35 1.898 -13.905 -4.831 1.00 0.00 O ATOM 528 CG2 THR A 35 2.241 -12.209 -6.444 1.00 0.00 C ATOM 0 H THR A 35 2.223 -13.053 -2.576 1.00 0.00 H new ATOM 0 HA THR A 35 4.143 -12.364 -4.502 1.00 0.00 H new ATOM 0 HB THR A 35 1.165 -11.975 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.158 -14.212 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.392 -12.598 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.312 -11.131 -6.592 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.157 -12.684 -6.795 1.00 0.00 H new ATOM 536 N LEU A 36 2.478 -9.854 -3.216 1.00 0.00 N ATOM 537 CA LEU A 36 2.419 -8.400 -3.131 1.00 0.00 C ATOM 538 C LEU A 36 3.750 -7.829 -2.654 1.00 0.00 C ATOM 539 O LEU A 36 4.158 -6.744 -3.072 1.00 0.00 O ATOM 540 CB LEU A 36 1.298 -7.968 -2.183 1.00 0.00 C ATOM 541 CG LEU A 36 1.067 -6.458 -2.100 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.434 -5.945 -3.383 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.196 -6.119 -0.900 1.00 0.00 C ATOM 0 H LEU A 36 1.900 -10.340 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 36 2.213 -8.011 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.371 -8.445 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.523 -8.341 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 36 2.032 -5.967 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.277 -4.869 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.094 -6.156 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.524 -6.441 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.041 -5.041 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.767 -6.620 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.689 -6.453 0.013 1.00 0.00 H new ATOM 555 N ALA A 37 4.426 -8.565 -1.779 1.00 0.00 N ATOM 556 CA ALA A 37 5.712 -8.133 -1.245 1.00 0.00 C ATOM 557 C ALA A 37 6.732 -7.938 -2.362 1.00 0.00 C ATOM 558 O ALA A 37 7.624 -7.096 -2.260 1.00 0.00 O ATOM 559 CB ALA A 37 6.225 -9.141 -0.227 1.00 0.00 C ATOM 0 H ALA A 37 4.104 -9.465 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 37 5.569 -7.173 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.186 -8.806 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.510 -9.227 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.347 -10.112 -0.706 1.00 0.00 H new ATOM 565 N GLN A 38 6.595 -8.722 -3.426 1.00 0.00 N ATOM 566 CA GLN A 38 7.504 -8.635 -4.561 1.00 0.00 C ATOM 567 C GLN A 38 7.175 -7.427 -5.432 1.00 0.00 C ATOM 568 O GLN A 38 8.071 -6.723 -5.900 1.00 0.00 O ATOM 569 CB GLN A 38 7.435 -9.915 -5.397 1.00 0.00 C ATOM 570 CG GLN A 38 8.091 -11.112 -4.730 1.00 0.00 C ATOM 571 CD GLN A 38 8.812 -12.008 -5.720 1.00 0.00 C ATOM 572 OE1 GLN A 38 9.880 -11.661 -6.223 1.00 0.00 O ATOM 573 NE2 GLN A 38 8.228 -13.166 -6.004 1.00 0.00 N ATOM 0 H GLN A 38 5.863 -9.425 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 38 8.516 -8.516 -4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.390 -10.150 -5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.915 -9.737 -6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.799 -10.762 -3.979 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.332 -11.693 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.342 -13.412 -5.563 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.665 -13.810 -6.664 1.00 0.00 H new ATOM 582 N LYS A 39 5.885 -7.192 -5.646 1.00 0.00 N ATOM 583 CA LYS A 39 5.438 -6.067 -6.461 1.00 0.00 C ATOM 584 C LYS A 39 5.743 -4.741 -5.772 1.00 0.00 C ATOM 585 O LYS A 39 6.307 -3.830 -6.380 1.00 0.00 O ATOM 586 CB LYS A 39 3.937 -6.180 -6.742 1.00 0.00 C ATOM 587 CG LYS A 39 3.616 -6.762 -8.109 1.00 0.00 C ATOM 588 CD LYS A 39 3.832 -8.265 -8.138 1.00 0.00 C ATOM 589 CE LYS A 39 3.824 -8.801 -9.561 1.00 0.00 C ATOM 590 NZ LYS A 39 2.448 -9.134 -10.022 1.00 0.00 N ATOM 0 H LYS A 39 5.131 -7.765 -5.267 1.00 0.00 H new ATOM 0 HA LYS A 39 5.980 -6.095 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.478 -6.803 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.485 -5.191 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.581 -6.537 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.244 -6.288 -8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.783 -8.506 -7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.051 -8.757 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.262 -8.060 -10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.451 -9.691 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.476 -9.415 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.071 -9.918 -9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.834 -8.301 -9.913 1.00 0.00 H new ATOM 604 N LEU A 40 5.366 -4.639 -4.502 1.00 0.00 N ATOM 605 CA LEU A 40 5.599 -3.423 -3.732 1.00 0.00 C ATOM 606 C LEU A 40 7.089 -3.107 -3.652 1.00 0.00 C ATOM 607 O LEU A 40 7.543 -2.080 -4.156 1.00 0.00 O ATOM 608 CB LEU A 40 5.019 -3.568 -2.323 1.00 0.00 C ATOM 609 CG LEU A 40 3.492 -3.544 -2.246 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.028 -3.735 -0.811 1.00 0.00 C ATOM 611 CD2 LEU A 40 2.952 -2.241 -2.815 1.00 0.00 C ATOM 0 H LEU A 40 4.898 -5.383 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 40 5.099 -2.599 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.374 -4.505 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.412 -2.764 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 40 3.102 -4.368 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.939 -3.715 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.386 -4.694 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.426 -2.933 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.864 -2.240 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.349 -1.402 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.256 -2.146 -3.857 1.00 0.00 H new ATOM 623 N GLY A 41 7.844 -3.996 -3.014 1.00 0.00 N ATOM 624 CA GLY A 41 9.274 -3.793 -2.880 1.00 0.00 C ATOM 625 C GLY A 41 9.807 -4.281 -1.547 1.00 0.00 C ATOM 626 O GLY A 41 10.598 -3.595 -0.899 1.00 0.00 O ATOM 0 H GLY A 41 7.491 -4.853 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.789 -4.315 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.499 -2.732 -2.992 1.00 0.00 H new ATOM 630 N LEU A 42 9.374 -5.469 -1.138 1.00 0.00 N ATOM 631 CA LEU A 42 9.813 -6.048 0.126 1.00 0.00 C ATOM 632 C LEU A 42 9.912 -7.566 0.024 1.00 0.00 C ATOM 633 O LEU A 42 9.698 -8.280 1.004 1.00 0.00 O ATOM 634 CB LEU A 42 8.849 -5.662 1.250 1.00 0.00 C ATOM 635 CG LEU A 42 8.704 -4.158 1.489 1.00 0.00 C ATOM 636 CD1 LEU A 42 7.587 -3.880 2.483 1.00 0.00 C ATOM 637 CD2 LEU A 42 10.017 -3.568 1.979 1.00 0.00 C ATOM 0 H LEU A 42 8.720 -6.049 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 42 10.803 -5.652 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.866 -6.075 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.186 -6.131 2.174 1.00 0.00 H new ATOM 0 HG LEU A 42 8.446 -3.682 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.499 -2.805 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.647 -4.268 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.814 -4.368 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.896 -2.497 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.306 -4.049 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.792 -3.734 1.231 1.00 0.00 H new ATOM 649 N GLY A 43 10.237 -8.053 -1.169 1.00 0.00 N ATOM 650 CA GLY A 43 10.359 -9.484 -1.378 1.00 0.00 C ATOM 651 C GLY A 43 11.508 -10.093 -0.596 1.00 0.00 C ATOM 652 O GLY A 43 11.514 -11.294 -0.325 1.00 0.00 O ATOM 0 H GLY A 43 10.418 -7.482 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.428 -9.970 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.503 -9.681 -2.440 1.00 0.00 H new ATOM 656 N ILE A 44 12.481 -9.264 -0.233 1.00 0.00 N ATOM 657 CA ILE A 44 13.639 -9.732 0.520 1.00 0.00 C ATOM 658 C ILE A 44 13.265 -10.037 1.969 1.00 0.00 C ATOM 659 O ILE A 44 13.836 -10.934 2.591 1.00 0.00 O ATOM 660 CB ILE A 44 14.781 -8.694 0.495 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.033 -9.257 1.173 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.343 -7.400 1.165 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.035 -9.841 0.202 1.00 0.00 C ATOM 0 H ILE A 44 12.491 -8.267 -0.447 1.00 0.00 H new ATOM 0 HA ILE A 44 13.984 -10.648 0.040 1.00 0.00 H new ATOM 0 HB ILE A 44 15.024 -8.475 -0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.514 -8.464 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.736 -10.028 1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.162 -6.681 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.482 -6.990 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.071 -7.601 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.896 -10.221 0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.571 -10.656 -0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.361 -9.068 -0.493 1.00 0.00 H new ATOM 675 N LEU A 45 12.304 -9.287 2.499 1.00 0.00 N ATOM 676 CA LEU A 45 11.856 -9.481 3.874 1.00 0.00 C ATOM 677 C LEU A 45 10.588 -10.329 3.921 1.00 0.00 C ATOM 678 O LEU A 45 9.774 -10.194 4.835 1.00 0.00 O ATOM 679 CB LEU A 45 11.603 -8.130 4.546 1.00 0.00 C ATOM 680 CG LEU A 45 12.663 -7.062 4.276 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.061 -5.671 4.395 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.835 -7.222 5.232 1.00 0.00 C ATOM 0 H LEU A 45 11.821 -8.541 1.999 1.00 0.00 H new ATOM 0 HA LEU A 45 12.643 -10.007 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.636 -7.752 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.532 -8.285 5.623 1.00 0.00 H new ATOM 0 HG LEU A 45 13.030 -7.190 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.830 -4.924 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.255 -5.560 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.666 -5.530 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.580 -6.454 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.484 -7.120 6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.282 -8.207 5.098 1.00 0.00 H new ATOM 694 N ASN A 46 10.427 -11.203 2.934 1.00 0.00 N ATOM 695 CA ASN A 46 9.257 -12.072 2.865 1.00 0.00 C ATOM 696 C ASN A 46 9.275 -13.100 3.993 1.00 0.00 C ATOM 697 O ASN A 46 8.226 -13.531 4.471 1.00 0.00 O ATOM 698 CB ASN A 46 9.201 -12.782 1.511 1.00 0.00 C ATOM 699 CG ASN A 46 7.830 -12.695 0.869 1.00 0.00 C ATOM 700 OD1 ASN A 46 6.824 -13.072 1.472 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.783 -12.197 -0.361 1.00 0.00 N ATOM 0 H ASN A 46 11.091 -11.329 2.170 1.00 0.00 H new ATOM 0 HA ASN A 46 8.368 -11.452 2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.941 -12.342 0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.472 -13.830 1.642 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.888 -12.115 -0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.642 -11.897 -0.823 1.00 0.00 H new ATOM 708 N ASN A 47 10.475 -13.491 4.412 1.00 0.00 N ATOM 709 CA ASN A 47 10.629 -14.469 5.483 1.00 0.00 C ATOM 710 C ASN A 47 10.163 -13.894 6.818 1.00 0.00 C ATOM 711 O ASN A 47 9.453 -14.555 7.575 1.00 0.00 O ATOM 712 CB ASN A 47 12.088 -14.916 5.586 1.00 0.00 C ATOM 713 CG ASN A 47 12.226 -16.424 5.676 1.00 0.00 C ATOM 714 OD1 ASN A 47 11.331 -17.166 5.270 1.00 0.00 O ATOM 715 ND2 ASN A 47 13.351 -16.885 6.211 1.00 0.00 N ATOM 0 H ASN A 47 11.354 -13.146 4.026 1.00 0.00 H new ATOM 0 HA ASN A 47 10.008 -15.333 5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.638 -14.555 4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.544 -14.459 6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.500 -17.890 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.066 -16.234 6.534 1.00 0.00 H new ATOM 722 N ALA A 48 10.568 -12.660 7.098 1.00 0.00 N ATOM 723 CA ALA A 48 10.192 -11.996 8.340 1.00 0.00 C ATOM 724 C ALA A 48 8.677 -11.884 8.468 1.00 0.00 C ATOM 725 O ALA A 48 8.118 -12.089 9.546 1.00 0.00 O ATOM 726 CB ALA A 48 10.833 -10.619 8.417 1.00 0.00 C ATOM 0 H ALA A 48 11.157 -12.100 6.482 1.00 0.00 H new ATOM 0 HA ALA A 48 10.556 -12.602 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.544 -10.135 9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.918 -10.720 8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.498 -10.014 7.575 1.00 0.00 H new ATOM 732 N PHE A 49 8.016 -11.560 7.361 1.00 0.00 N ATOM 733 CA PHE A 49 6.565 -11.422 7.350 1.00 0.00 C ATOM 734 C PHE A 49 5.887 -12.767 7.588 1.00 0.00 C ATOM 735 O PHE A 49 4.942 -12.868 8.369 1.00 0.00 O ATOM 736 CB PHE A 49 6.098 -10.830 6.019 1.00 0.00 C ATOM 737 CG PHE A 49 6.738 -9.511 5.689 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.845 -8.518 6.651 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.232 -9.265 4.419 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.433 -7.304 6.350 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.821 -8.052 4.113 1.00 0.00 C ATOM 742 CZ PHE A 49 7.922 -7.071 5.080 1.00 0.00 C ATOM 0 H PHE A 49 8.463 -11.388 6.460 1.00 0.00 H new ATOM 0 HA PHE A 49 6.284 -10.747 8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.314 -11.539 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.016 -10.702 6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.465 -8.695 7.646 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.156 -10.029 3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.510 -6.538 7.108 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.202 -7.872 3.119 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.383 -6.123 4.843 1.00 0.00 H new ATOM 752 N ARG A 50 6.377 -13.799 6.907 1.00 0.00 N ATOM 753 CA ARG A 50 5.817 -15.139 7.043 1.00 0.00 C ATOM 754 C ARG A 50 5.923 -15.630 8.483 1.00 0.00 C ATOM 755 O ARG A 50 4.949 -16.118 9.056 1.00 0.00 O ATOM 756 CB ARG A 50 6.535 -16.112 6.106 1.00 0.00 C ATOM 757 CG ARG A 50 5.615 -17.151 5.488 1.00 0.00 C ATOM 758 CD ARG A 50 5.998 -17.451 4.048 1.00 0.00 C ATOM 759 NE ARG A 50 5.258 -18.590 3.509 1.00 0.00 N ATOM 760 CZ ARG A 50 5.132 -18.844 2.208 1.00 0.00 C ATOM 761 NH1 ARG A 50 5.695 -18.044 1.312 1.00 0.00 N ATOM 762 NH2 ARG A 50 4.441 -19.901 1.803 1.00 0.00 N ATOM 0 H ARG A 50 7.160 -13.733 6.256 1.00 0.00 H new ATOM 0 HA ARG A 50 4.763 -15.094 6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.018 -15.546 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.324 -16.621 6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.655 -18.069 6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.586 -16.794 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.809 -16.572 3.432 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.067 -17.655 3.993 1.00 0.00 H new ATOM 0 HE ARG A 50 4.812 -19.228 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.227 -17.230 1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.595 -18.243 0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.006 -20.519 2.488 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.344 -20.096 0.806 1.00 0.00 H new ATOM 776 N LEU A 51 7.112 -15.496 9.063 1.00 0.00 N ATOM 777 CA LEU A 51 7.343 -15.926 10.437 1.00 0.00 C ATOM 778 C LEU A 51 6.446 -15.161 11.404 1.00 0.00 C ATOM 779 O LEU A 51 6.039 -15.690 12.439 1.00 0.00 O ATOM 780 CB LEU A 51 8.812 -15.724 10.816 1.00 0.00 C ATOM 781 CG LEU A 51 9.808 -16.567 10.018 1.00 0.00 C ATOM 782 CD1 LEU A 51 11.226 -16.326 10.510 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.452 -18.043 10.113 1.00 0.00 C ATOM 0 H LEU A 51 7.929 -15.094 8.603 1.00 0.00 H new ATOM 0 HA LEU A 51 7.100 -16.986 10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.064 -14.671 10.686 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.933 -15.952 11.875 1.00 0.00 H new ATOM 0 HG LEU A 51 9.753 -16.267 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.920 -16.934 9.931 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.479 -15.273 10.390 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.297 -16.598 11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.171 -18.628 9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.478 -18.357 11.156 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.451 -18.203 9.711 1.00 0.00 H new ATOM 795 N SER A 52 6.141 -13.914 11.062 1.00 0.00 N ATOM 796 CA SER A 52 5.291 -13.077 11.900 1.00 0.00 C ATOM 797 C SER A 52 3.879 -13.651 11.987 1.00 0.00 C ATOM 798 O SER A 52 3.434 -14.368 11.090 1.00 0.00 O ATOM 799 CB SER A 52 5.241 -11.652 11.347 1.00 0.00 C ATOM 800 OG SER A 52 6.441 -10.952 11.629 1.00 0.00 O ATOM 0 H SER A 52 6.470 -13.461 10.210 1.00 0.00 H new ATOM 0 HA SER A 52 5.718 -13.056 12.903 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.079 -11.682 10.270 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.395 -11.119 11.782 1.00 0.00 H new ATOM 0 HG SER A 52 7.132 -11.216 10.987 1.00 0.00 H new ATOM 806 N PRO A 53 3.153 -13.342 13.076 1.00 0.00 N ATOM 807 CA PRO A 53 1.785 -13.832 13.276 1.00 0.00 C ATOM 808 C PRO A 53 0.883 -13.538 12.082 1.00 0.00 C ATOM 809 O PRO A 53 0.119 -14.398 11.642 1.00 0.00 O ATOM 810 CB PRO A 53 1.307 -13.061 14.509 1.00 0.00 C ATOM 811 CG PRO A 53 2.554 -12.711 15.245 1.00 0.00 C ATOM 812 CD PRO A 53 3.607 -12.494 14.193 1.00 0.00 C ATOM 0 HA PRO A 53 1.755 -14.915 13.396 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.751 -12.167 14.226 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.643 -13.669 15.123 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.413 -11.814 15.847 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.842 -13.511 15.927 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.673 -11.446 13.901 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.595 -12.790 14.546 1.00 0.00 H new ATOM 820 N ALA A 54 0.977 -12.319 11.562 1.00 0.00 N ATOM 821 CA ALA A 54 0.169 -11.911 10.419 1.00 0.00 C ATOM 822 C ALA A 54 1.038 -11.308 9.319 1.00 0.00 C ATOM 823 O ALA A 54 1.287 -10.102 9.305 1.00 0.00 O ATOM 824 CB ALA A 54 -0.898 -10.918 10.855 1.00 0.00 C ATOM 0 H ALA A 54 1.605 -11.596 11.914 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.319 -12.798 10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.494 -10.622 9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.544 -11.382 11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.421 -10.038 11.286 1.00 0.00 H new ATOM 830 N PRO A 55 1.512 -12.142 8.375 1.00 0.00 N ATOM 831 CA PRO A 55 2.356 -11.681 7.267 1.00 0.00 C ATOM 832 C PRO A 55 1.756 -10.482 6.539 1.00 0.00 C ATOM 833 O PRO A 55 2.426 -9.470 6.334 1.00 0.00 O ATOM 834 CB PRO A 55 2.414 -12.895 6.339 1.00 0.00 C ATOM 835 CG PRO A 55 2.198 -14.065 7.234 1.00 0.00 C ATOM 836 CD PRO A 55 1.261 -13.594 8.314 1.00 0.00 C ATOM 0 HA PRO A 55 3.333 -11.343 7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.647 -12.840 5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.375 -12.958 5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.770 -14.903 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.141 -14.411 7.659 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.222 -13.812 8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.471 -14.078 9.268 1.00 0.00 H new ATOM 844 N SER A 56 0.490 -10.603 6.155 1.00 0.00 N ATOM 845 CA SER A 56 -0.200 -9.528 5.450 1.00 0.00 C ATOM 846 C SER A 56 -0.246 -8.262 6.300 1.00 0.00 C ATOM 847 O SER A 56 -0.244 -7.149 5.774 1.00 0.00 O ATOM 848 CB SER A 56 -1.622 -9.961 5.084 1.00 0.00 C ATOM 849 OG SER A 56 -2.113 -10.926 5.997 1.00 0.00 O ATOM 0 H SER A 56 -0.079 -11.433 6.320 1.00 0.00 H new ATOM 0 HA SER A 56 0.354 -9.312 4.537 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.280 -9.092 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.631 -10.373 4.075 1.00 0.00 H new ATOM 0 HG SER A 56 -3.092 -10.951 5.951 1.00 0.00 H new ATOM 855 N LYS A 57 -0.285 -8.439 7.617 1.00 0.00 N ATOM 856 CA LYS A 57 -0.330 -7.312 8.539 1.00 0.00 C ATOM 857 C LYS A 57 1.067 -6.750 8.783 1.00 0.00 C ATOM 858 O LYS A 57 1.243 -5.543 8.942 1.00 0.00 O ATOM 859 CB LYS A 57 -0.960 -7.737 9.867 1.00 0.00 C ATOM 860 CG LYS A 57 -1.583 -6.588 10.642 1.00 0.00 C ATOM 861 CD LYS A 57 -2.144 -7.051 11.979 1.00 0.00 C ATOM 862 CE LYS A 57 -3.626 -6.735 12.103 1.00 0.00 C ATOM 863 NZ LYS A 57 -3.994 -6.336 13.489 1.00 0.00 N ATOM 0 H LYS A 57 -0.286 -9.353 8.069 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.942 -6.531 8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.724 -8.489 9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.198 -8.210 10.486 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.834 -5.814 10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.379 -6.138 10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.990 -8.125 12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.599 -6.568 12.790 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.885 -5.932 11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.209 -7.608 11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.012 -6.129 13.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.771 -7.112 14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.457 -5.488 13.760 1.00 0.00 H new ATOM 877 N THR A 58 2.058 -7.635 8.808 1.00 0.00 N ATOM 878 CA THR A 58 3.440 -7.229 9.032 1.00 0.00 C ATOM 879 C THR A 58 3.985 -6.471 7.825 1.00 0.00 C ATOM 880 O THR A 58 4.805 -5.565 7.968 1.00 0.00 O ATOM 881 CB THR A 58 4.314 -8.452 9.317 1.00 0.00 C ATOM 882 OG1 THR A 58 3.591 -9.424 10.053 1.00 0.00 O ATOM 883 CG2 THR A 58 5.568 -8.122 10.098 1.00 0.00 C ATOM 0 H THR A 58 1.929 -8.638 8.676 1.00 0.00 H new ATOM 0 HA THR A 58 3.462 -6.566 9.897 1.00 0.00 H new ATOM 0 HB THR A 58 4.605 -8.834 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.917 -9.838 9.474 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.142 -9.033 10.266 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.172 -7.411 9.534 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.294 -7.684 11.058 1.00 0.00 H new ATOM 891 N LEU A 59 3.522 -6.848 6.638 1.00 0.00 N ATOM 892 CA LEU A 59 3.963 -6.203 5.406 1.00 0.00 C ATOM 893 C LEU A 59 3.619 -4.718 5.416 1.00 0.00 C ATOM 894 O LEU A 59 4.411 -3.885 4.978 1.00 0.00 O ATOM 895 CB LEU A 59 3.320 -6.880 4.193 1.00 0.00 C ATOM 896 CG LEU A 59 3.812 -6.377 2.836 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.194 -6.933 2.529 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.827 -6.756 1.739 1.00 0.00 C ATOM 0 H LEU A 59 2.842 -7.596 6.503 1.00 0.00 H new ATOM 0 HA LEU A 59 5.046 -6.306 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.504 -7.953 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.241 -6.738 4.247 1.00 0.00 H new ATOM 0 HG LEU A 59 3.881 -5.290 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.527 -6.564 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.895 -6.612 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.152 -8.022 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.193 -6.390 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.726 -7.841 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.856 -6.309 1.952 1.00 0.00 H new ATOM 910 N MET A 60 2.432 -4.394 5.918 1.00 0.00 N ATOM 911 CA MET A 60 1.982 -3.008 5.984 1.00 0.00 C ATOM 912 C MET A 60 2.757 -2.235 7.046 1.00 0.00 C ATOM 913 O MET A 60 2.969 -1.029 6.919 1.00 0.00 O ATOM 914 CB MET A 60 0.483 -2.951 6.285 1.00 0.00 C ATOM 915 CG MET A 60 -0.382 -3.540 5.183 1.00 0.00 C ATOM 916 SD MET A 60 -0.103 -2.752 3.586 1.00 0.00 S ATOM 917 CE MET A 60 -1.747 -2.147 3.216 1.00 0.00 C ATOM 0 H MET A 60 1.764 -5.072 6.285 1.00 0.00 H new ATOM 0 HA MET A 60 2.168 -2.544 5.015 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.287 -3.486 7.214 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.193 -1.913 6.447 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.178 -4.607 5.098 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.432 -3.437 5.456 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.763 -1.728 2.210 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.460 -2.969 3.278 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.021 -1.375 3.935 1.00 0.00 H new ATOM 927 N ASP A 61 3.176 -2.937 8.095 1.00 0.00 N ATOM 928 CA ASP A 61 3.927 -2.315 9.179 1.00 0.00 C ATOM 929 C ASP A 61 5.322 -1.912 8.712 1.00 0.00 C ATOM 930 O ASP A 61 5.868 -0.902 9.154 1.00 0.00 O ATOM 931 CB ASP A 61 4.030 -3.271 10.368 1.00 0.00 C ATOM 932 CG ASP A 61 2.948 -3.026 11.403 1.00 0.00 C ATOM 933 OD1 ASP A 61 2.854 -1.886 11.905 1.00 0.00 O ATOM 934 OD2 ASP A 61 2.194 -3.974 11.709 1.00 0.00 O ATOM 0 H ASP A 61 3.008 -3.936 8.217 1.00 0.00 H new ATOM 0 HA ASP A 61 3.394 -1.416 9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.962 -4.299 10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.008 -3.160 10.836 1.00 0.00 H new ATOM 939 N ASN A 62 5.893 -2.711 7.817 1.00 0.00 N ATOM 940 CA ASN A 62 7.225 -2.440 7.290 1.00 0.00 C ATOM 941 C ASN A 62 7.163 -1.431 6.148 1.00 0.00 C ATOM 942 O ASN A 62 8.090 -0.647 5.946 1.00 0.00 O ATOM 943 CB ASN A 62 7.878 -3.736 6.806 1.00 0.00 C ATOM 944 CG ASN A 62 8.629 -4.453 7.912 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.828 -4.710 7.798 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.926 -4.781 8.989 1.00 0.00 N ATOM 0 H ASN A 62 5.454 -3.552 7.441 1.00 0.00 H new ATOM 0 HA ASN A 62 7.827 -2.016 8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.111 -4.398 6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.565 -3.511 5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.378 -5.266 9.765 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.934 -4.548 9.041 1.00 0.00 H new ATOM 953 N TYR A 63 6.063 -1.458 5.401 1.00 0.00 N ATOM 954 CA TYR A 63 5.879 -0.545 4.278 1.00 0.00 C ATOM 955 C TYR A 63 5.687 0.887 4.765 1.00 0.00 C ATOM 956 O TYR A 63 6.183 1.833 4.154 1.00 0.00 O ATOM 957 CB TYR A 63 4.677 -0.975 3.435 1.00 0.00 C ATOM 958 CG TYR A 63 4.820 -0.654 1.965 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.000 -0.929 1.285 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.774 -0.077 1.256 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.134 -0.636 -0.058 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.900 0.219 -0.089 1.00 0.00 C ATOM 963 CZ TYR A 63 5.082 -0.063 -0.741 1.00 0.00 C ATOM 964 OH TYR A 63 5.211 0.228 -2.080 1.00 0.00 O ATOM 0 H TYR A 63 5.286 -2.102 5.553 1.00 0.00 H new ATOM 0 HA TYR A 63 6.778 -0.582 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.529 -2.049 3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.782 -0.486 3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.826 -1.379 1.815 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.847 0.144 1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.059 -0.855 -0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.078 0.668 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 63 6.157 0.369 -2.294 1.00 0.00 H new ATOM 974 N GLU A 64 4.963 1.038 5.869 1.00 0.00 N ATOM 975 CA GLU A 64 4.705 2.356 6.439 1.00 0.00 C ATOM 976 C GLU A 64 5.979 2.953 7.027 1.00 0.00 C ATOM 977 O GLU A 64 6.274 4.132 6.825 1.00 0.00 O ATOM 978 CB GLU A 64 3.626 2.263 7.520 1.00 0.00 C ATOM 979 CG GLU A 64 2.940 3.588 7.810 1.00 0.00 C ATOM 980 CD GLU A 64 1.523 3.412 8.318 1.00 0.00 C ATOM 981 OE1 GLU A 64 0.767 2.625 7.709 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.168 4.061 9.326 1.00 0.00 O ATOM 0 H GLU A 64 4.545 0.265 6.387 1.00 0.00 H new ATOM 0 HA GLU A 64 4.355 3.009 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.876 1.535 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.076 1.887 8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.521 4.140 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.924 4.191 6.902 1.00 0.00 H new ATOM 989 N VAL A 65 6.731 2.134 7.754 1.00 0.00 N ATOM 990 CA VAL A 65 7.974 2.581 8.370 1.00 0.00 C ATOM 991 C VAL A 65 9.050 2.828 7.318 1.00 0.00 C ATOM 992 O VAL A 65 9.898 3.705 7.478 1.00 0.00 O ATOM 993 CB VAL A 65 8.497 1.554 9.392 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.703 2.106 10.137 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.397 1.157 10.366 1.00 0.00 C ATOM 0 H VAL A 65 6.501 1.156 7.931 1.00 0.00 H new ATOM 0 HA VAL A 65 7.753 3.515 8.887 1.00 0.00 H new ATOM 0 HB VAL A 65 8.810 0.661 8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.058 1.366 10.854 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.498 2.332 9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.419 3.016 10.665 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.787 0.431 11.079 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.049 2.040 10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.566 0.715 9.816 1.00 0.00 H new ATOM 1005 N SER A 66 9.007 2.049 6.241 1.00 0.00 N ATOM 1006 CA SER A 66 9.979 2.184 5.162 1.00 0.00 C ATOM 1007 C SER A 66 9.615 3.348 4.246 1.00 0.00 C ATOM 1008 O SER A 66 10.490 3.992 3.668 1.00 0.00 O ATOM 1009 CB SER A 66 10.057 0.887 4.353 1.00 0.00 C ATOM 1010 OG SER A 66 10.588 -0.169 5.135 1.00 0.00 O ATOM 0 H SER A 66 8.310 1.319 6.093 1.00 0.00 H new ATOM 0 HA SER A 66 10.954 2.386 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.063 0.616 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.680 1.041 3.472 1.00 0.00 H new ATOM 0 HG SER A 66 9.860 -0.622 5.611 1.00 0.00 H new ATOM 1016 N GLY A 67 8.319 3.611 4.118 1.00 0.00 N ATOM 1017 CA GLY A 67 7.864 4.698 3.269 1.00 0.00 C ATOM 1018 C GLY A 67 7.035 4.211 2.098 1.00 0.00 C ATOM 1019 O GLY A 67 7.469 4.288 0.948 1.00 0.00 O ATOM 0 H GLY A 67 7.576 3.092 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.274 5.396 3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.727 5.249 2.895 1.00 0.00 H new ATOM 1023 N GLY A 68 5.839 3.709 2.388 1.00 0.00 N ATOM 1024 CA GLY A 68 4.967 3.216 1.338 1.00 0.00 C ATOM 1025 C GLY A 68 4.069 4.299 0.774 1.00 0.00 C ATOM 1026 O GLY A 68 3.745 5.266 1.461 1.00 0.00 O ATOM 0 H GLY A 68 5.458 3.635 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.572 2.795 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.352 2.406 1.731 1.00 0.00 H new ATOM 1030 N THR A 69 3.666 4.136 -0.483 1.00 0.00 N ATOM 1031 CA THR A 69 2.799 5.107 -1.140 1.00 0.00 C ATOM 1032 C THR A 69 1.479 4.466 -1.554 1.00 0.00 C ATOM 1033 O THR A 69 1.292 3.257 -1.410 1.00 0.00 O ATOM 1034 CB THR A 69 3.498 5.697 -2.366 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.138 4.681 -3.116 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.542 6.737 -2.017 1.00 0.00 C ATOM 0 H THR A 69 3.926 3.341 -1.066 1.00 0.00 H new ATOM 0 HA THR A 69 2.587 5.906 -0.430 1.00 0.00 H new ATOM 0 HB THR A 69 2.709 6.177 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.578 5.078 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.999 7.115 -2.932 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.070 7.560 -1.480 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.309 6.286 -1.388 1.00 0.00 H new ATOM 1044 N VAL A 70 0.565 5.283 -2.068 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.738 4.795 -2.502 1.00 0.00 C ATOM 1046 C VAL A 70 -0.702 4.356 -3.961 1.00 0.00 C ATOM 1047 O VAL A 70 -1.241 3.309 -4.319 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.827 5.870 -2.327 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.205 5.284 -2.596 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.760 6.477 -0.935 1.00 0.00 C ATOM 0 H VAL A 70 0.703 6.286 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.980 3.938 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.648 6.663 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.961 6.058 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.246 4.903 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.397 4.470 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.537 7.234 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.912 5.696 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.783 6.937 -0.785 1.00 0.00 H new ATOM 1060 N ARG A 71 -0.063 5.165 -4.801 1.00 0.00 N ATOM 1061 CA ARG A 71 0.043 4.861 -6.224 1.00 0.00 C ATOM 1062 C ARG A 71 0.725 3.514 -6.445 1.00 0.00 C ATOM 1063 O ARG A 71 0.415 2.799 -7.398 1.00 0.00 O ATOM 1064 CB ARG A 71 0.821 5.964 -6.945 1.00 0.00 C ATOM 1065 CG ARG A 71 0.281 6.285 -8.329 1.00 0.00 C ATOM 1066 CD ARG A 71 1.038 7.439 -8.968 1.00 0.00 C ATOM 1067 NE ARG A 71 0.513 7.771 -10.290 1.00 0.00 N ATOM 1068 CZ ARG A 71 1.060 8.676 -11.099 1.00 0.00 C ATOM 1069 NH1 ARG A 71 2.148 9.339 -10.725 1.00 0.00 N ATOM 1070 NH2 ARG A 71 0.520 8.918 -12.286 1.00 0.00 N ATOM 0 H ARG A 71 0.389 6.035 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.965 4.808 -6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.800 6.869 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.865 5.663 -7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.357 5.402 -8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.777 6.537 -8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.976 8.315 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.093 7.179 -9.052 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.321 7.281 -10.612 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.569 9.156 -9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.563 10.031 -11.349 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.315 8.411 -12.580 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.939 9.611 -12.905 1.00 0.00 H new ATOM 1084 N GLU A 72 1.654 3.175 -5.558 1.00 0.00 N ATOM 1085 CA GLU A 72 2.379 1.913 -5.655 1.00 0.00 C ATOM 1086 C GLU A 72 1.502 0.746 -5.216 1.00 0.00 C ATOM 1087 O GLU A 72 1.644 -0.372 -5.712 1.00 0.00 O ATOM 1088 CB GLU A 72 3.648 1.962 -4.802 1.00 0.00 C ATOM 1089 CG GLU A 72 4.863 2.488 -5.549 1.00 0.00 C ATOM 1090 CD GLU A 72 6.170 2.030 -4.930 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.211 0.899 -4.401 1.00 0.00 O ATOM 1092 OE2 GLU A 72 7.150 2.801 -4.976 1.00 0.00 O ATOM 0 H GLU A 72 1.923 3.756 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 72 2.657 1.762 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.466 2.592 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.865 0.960 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.820 2.155 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.833 3.578 -5.562 1.00 0.00 H new ATOM 1099 N LEU A 73 0.595 1.012 -4.282 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.306 -0.016 -3.775 1.00 0.00 C ATOM 1101 C LEU A 73 -1.395 -0.336 -4.794 1.00 0.00 C ATOM 1102 O LEU A 73 -1.828 -1.482 -4.917 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.940 0.436 -2.458 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.841 -0.600 -1.785 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -1.007 -1.708 -1.160 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.722 0.063 -0.736 1.00 0.00 C ATOM 0 H LEU A 73 0.465 1.932 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 73 0.277 -0.920 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.145 0.709 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.524 1.337 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.484 -1.043 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.666 -2.436 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.419 -2.201 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.338 -1.282 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.357 -0.688 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.095 0.533 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.346 0.820 -1.211 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.834 0.685 -5.524 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.872 0.513 -6.533 1.00 0.00 C ATOM 1120 C VAL A 74 -2.319 -0.165 -7.782 1.00 0.00 C ATOM 1121 O VAL A 74 -3.000 -0.969 -8.417 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.498 1.863 -6.931 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.699 1.650 -7.839 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.889 2.657 -5.692 1.00 0.00 C ATOM 0 H VAL A 74 -1.487 1.640 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.641 -0.120 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.754 2.438 -7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.127 2.616 -8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.384 1.127 -8.742 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.448 1.054 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.329 3.608 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.615 2.089 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.003 2.844 -5.085 1.00 0.00 H new ATOM 1134 N GLU A 75 -1.079 0.165 -8.128 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.434 -0.412 -9.302 1.00 0.00 C ATOM 1136 C GLU A 75 -0.067 -1.872 -9.058 1.00 0.00 C ATOM 1137 O GLU A 75 -0.321 -2.735 -9.897 1.00 0.00 O ATOM 1138 CB GLU A 75 0.819 0.390 -9.666 1.00 0.00 C ATOM 1139 CG GLU A 75 0.601 1.372 -10.806 1.00 0.00 C ATOM 1140 CD GLU A 75 1.277 0.934 -12.091 1.00 0.00 C ATOM 1141 OE1 GLU A 75 0.689 0.107 -12.820 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.395 1.417 -12.369 1.00 0.00 O ATOM 0 H GLU A 75 -0.501 0.829 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.138 -0.369 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.159 0.937 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.616 -0.301 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.469 1.486 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.982 2.351 -10.515 1.00 0.00 H new ATOM 1149 N ALA A 76 0.534 -2.141 -7.902 1.00 0.00 N ATOM 1150 CA ALA A 76 0.936 -3.497 -7.548 1.00 0.00 C ATOM 1151 C ALA A 76 -0.264 -4.437 -7.523 1.00 0.00 C ATOM 1152 O ALA A 76 -0.202 -5.552 -8.041 1.00 0.00 O ATOM 1153 CB ALA A 76 1.641 -3.502 -6.200 1.00 0.00 C ATOM 0 H ALA A 76 0.753 -1.438 -7.196 1.00 0.00 H new ATOM 0 HA ALA A 76 1.628 -3.855 -8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.936 -4.520 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.527 -2.870 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.966 -3.120 -5.435 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.355 -3.980 -6.917 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.570 -4.781 -6.825 1.00 0.00 C ATOM 1161 C LEU A 77 -3.108 -5.116 -8.212 1.00 0.00 C ATOM 1162 O LEU A 77 -3.707 -6.170 -8.419 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.636 -4.038 -6.017 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.364 -3.949 -4.515 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.310 -2.955 -3.860 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.496 -5.319 -3.867 1.00 0.00 C ATOM 0 H LEU A 77 -1.423 -3.060 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.323 -5.713 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.732 -3.027 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.595 -4.533 -6.168 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.342 -3.598 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.102 -2.905 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.167 -1.970 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.340 -3.277 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.299 -5.236 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.506 -5.699 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.778 -6.005 -4.316 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.890 -4.210 -9.160 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.354 -4.408 -10.528 1.00 0.00 C ATOM 1180 C ARG A 78 -2.450 -5.383 -11.275 1.00 0.00 C ATOM 1181 O ARG A 78 -2.925 -6.237 -12.023 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.405 -3.070 -11.269 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.567 -2.959 -12.243 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.842 -1.512 -12.618 1.00 0.00 C ATOM 1185 NE ARG A 78 -6.272 -1.241 -12.740 1.00 0.00 N ATOM 1186 CZ ARG A 78 -7.025 -1.669 -13.751 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -6.487 -2.388 -14.729 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -8.317 -1.377 -13.786 1.00 0.00 N ATOM 0 H ARG A 78 -2.395 -3.332 -9.006 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.357 -4.832 -10.487 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.474 -2.263 -10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.471 -2.929 -11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.346 -3.533 -13.142 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.460 -3.397 -11.797 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.411 -0.854 -11.863 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.347 -1.282 -13.562 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.720 -0.691 -12.007 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.493 -2.615 -14.708 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.068 -2.714 -15.502 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.735 -0.824 -13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.893 -1.705 -14.561 1.00 0.00 H new ATOM 1202 N GLN A 79 -1.145 -5.248 -11.070 1.00 0.00 N ATOM 1203 CA GLN A 79 -0.174 -6.116 -11.724 1.00 0.00 C ATOM 1204 C GLN A 79 -0.408 -7.576 -11.350 1.00 0.00 C ATOM 1205 O GLN A 79 -0.137 -8.481 -12.139 1.00 0.00 O ATOM 1206 CB GLN A 79 1.250 -5.703 -11.345 1.00 0.00 C ATOM 1207 CG GLN A 79 1.656 -4.347 -11.897 1.00 0.00 C ATOM 1208 CD GLN A 79 3.161 -4.177 -11.979 1.00 0.00 C ATOM 1209 OE1 GLN A 79 3.841 -4.907 -12.698 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.688 -3.210 -11.237 1.00 0.00 N ATOM 0 H GLN A 79 -0.735 -4.545 -10.455 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.301 -6.011 -12.801 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.337 -5.685 -10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.947 -6.458 -11.708 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.225 -4.219 -12.890 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.239 -3.562 -11.266 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.086 -2.628 -10.655 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.695 -3.049 -11.249 1.00 0.00 H new ATOM 1219 N MET A 80 -0.913 -7.799 -10.140 1.00 0.00 N ATOM 1220 CA MET A 80 -1.184 -9.149 -9.661 1.00 0.00 C ATOM 1221 C MET A 80 -2.533 -9.647 -10.172 1.00 0.00 C ATOM 1222 O MET A 80 -2.675 -10.812 -10.542 1.00 0.00 O ATOM 1223 CB MET A 80 -1.161 -9.184 -8.132 1.00 0.00 C ATOM 1224 CG MET A 80 0.224 -9.413 -7.549 1.00 0.00 C ATOM 1225 SD MET A 80 0.333 -8.941 -5.813 1.00 0.00 S ATOM 1226 CE MET A 80 -0.593 -10.266 -5.042 1.00 0.00 C ATOM 0 H MET A 80 -1.143 -7.061 -9.474 1.00 0.00 H new ATOM 0 HA MET A 80 -0.405 -9.807 -10.045 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.556 -8.243 -7.749 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.827 -9.974 -7.785 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.488 -10.465 -7.653 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.954 -8.843 -8.123 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.217 -10.433 -4.033 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.648 -9.994 -4.996 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.478 -11.178 -5.627 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.519 -8.757 -10.186 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.843 -9.125 -10.651 1.00 0.00 C ATOM 1238 C GLY A 81 -5.943 -8.660 -9.713 1.00 0.00 C ATOM 1239 O GLY A 81 -7.124 -8.722 -10.057 1.00 0.00 O ATOM 0 H GLY A 81 -3.425 -7.787 -9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.009 -8.697 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.898 -10.208 -10.760 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.559 -8.195 -8.527 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.524 -7.721 -7.541 1.00 0.00 C ATOM 1245 C TYR A 82 -7.395 -6.609 -8.118 1.00 0.00 C ATOM 1246 O TYR A 82 -6.887 -5.589 -8.585 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.798 -7.222 -6.290 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.620 -8.284 -5.229 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.716 -8.944 -4.687 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.354 -8.626 -4.769 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.556 -9.914 -3.717 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.186 -9.595 -3.798 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.290 -10.236 -3.275 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.127 -11.201 -2.309 1.00 0.00 O ATOM 0 H TYR A 82 -4.586 -8.137 -8.226 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.170 -8.556 -7.271 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.819 -6.839 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.355 -6.386 -5.866 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.709 -8.694 -5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.488 -8.127 -5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.418 -10.418 -3.306 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.196 -9.849 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.005 -11.531 -2.025 1.00 0.00 H new ATOM 1264 N THR A 83 -8.707 -6.813 -8.082 1.00 0.00 N ATOM 1265 CA THR A 83 -9.648 -5.828 -8.602 1.00 0.00 C ATOM 1266 C THR A 83 -10.441 -5.181 -7.471 1.00 0.00 C ATOM 1267 O THR A 83 -10.810 -4.009 -7.550 1.00 0.00 O ATOM 1268 CB THR A 83 -10.604 -6.484 -9.601 1.00 0.00 C ATOM 1269 OG1 THR A 83 -9.908 -7.391 -10.438 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.313 -5.487 -10.492 1.00 0.00 C ATOM 0 H THR A 83 -9.143 -7.651 -7.698 1.00 0.00 H new ATOM 0 HA THR A 83 -9.078 -5.051 -9.111 1.00 0.00 H new ATOM 0 HB THR A 83 -11.349 -6.999 -8.995 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.536 -7.802 -11.069 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.975 -6.017 -11.176 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.898 -4.802 -9.878 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.577 -4.922 -11.064 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.699 -5.951 -6.419 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.449 -5.453 -5.271 1.00 0.00 C ATOM 1280 C GLU A 84 -10.553 -4.626 -4.353 1.00 0.00 C ATOM 1281 O GLU A 84 -10.995 -3.641 -3.760 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.062 -6.618 -4.491 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.494 -6.366 -4.047 1.00 0.00 C ATOM 1284 CD GLU A 84 -14.502 -7.176 -4.838 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -14.277 -7.385 -6.049 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -15.516 -7.603 -4.246 1.00 0.00 O ATOM 0 H GLU A 84 -10.400 -6.923 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.249 -4.812 -5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.035 -7.514 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.448 -6.820 -3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.590 -6.608 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.722 -5.305 -4.154 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.294 -5.034 -4.240 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.335 -4.332 -3.394 1.00 0.00 C ATOM 1295 C ALA A 85 -8.143 -2.892 -3.859 1.00 0.00 C ATOM 1296 O ALA A 85 -7.897 -1.996 -3.052 1.00 0.00 O ATOM 1297 CB ALA A 85 -7.004 -5.067 -3.383 1.00 0.00 C ATOM 0 H ALA A 85 -8.913 -5.847 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.733 -4.308 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.298 -4.532 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.148 -6.076 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.610 -5.121 -4.398 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.254 -2.679 -5.167 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.091 -1.348 -5.740 1.00 0.00 C ATOM 1305 C ILE A 86 -9.268 -0.446 -5.383 1.00 0.00 C ATOM 1306 O ILE A 86 -9.083 0.713 -5.010 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.952 -1.409 -7.273 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.893 -2.440 -7.671 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.601 -0.036 -7.829 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.684 -2.547 -9.166 1.00 0.00 C ATOM 0 H ILE A 86 -8.456 -3.410 -5.849 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.177 -0.932 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.908 -1.717 -7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.947 -2.178 -7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.184 -3.416 -7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.506 -0.096 -8.913 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.388 0.673 -7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.657 0.300 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.920 -3.296 -9.374 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.619 -2.840 -9.644 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.362 -1.582 -9.558 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.477 -0.984 -5.498 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.684 -0.227 -5.187 1.00 0.00 C ATOM 1324 C GLU A 87 -11.673 0.241 -3.736 1.00 0.00 C ATOM 1325 O GLU A 87 -12.166 1.324 -3.418 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.928 -1.077 -5.453 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.138 -1.407 -6.921 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.599 -1.362 -7.325 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.238 -0.307 -7.125 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.105 -2.381 -7.841 1.00 0.00 O ATOM 0 H GLU A 87 -10.647 -1.942 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.709 0.651 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.850 -2.006 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.805 -0.549 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.574 -0.703 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.738 -2.400 -7.127 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.109 -0.583 -2.859 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.034 -0.256 -1.441 1.00 0.00 C ATOM 1339 C VAL A 88 -10.219 1.012 -1.212 1.00 0.00 C ATOM 1340 O VAL A 88 -10.471 1.762 -0.268 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.409 -1.408 -0.630 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.482 -1.115 0.860 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.095 -2.726 -0.956 1.00 0.00 C ATOM 0 H VAL A 88 -10.697 -1.483 -3.106 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.056 -0.095 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.359 -1.494 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.036 -1.940 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.938 -0.195 1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.524 -0.999 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.640 -3.527 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.154 -2.655 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.983 -2.941 -2.019 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.241 1.248 -2.081 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.390 2.426 -1.973 1.00 0.00 C ATOM 1355 C ILE A 89 -8.943 3.580 -2.801 1.00 0.00 C ATOM 1356 O ILE A 89 -8.923 4.733 -2.370 1.00 0.00 O ATOM 1357 CB ILE A 89 -6.949 2.125 -2.428 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.418 0.871 -1.730 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.043 3.316 -2.149 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.603 -0.027 -2.634 1.00 0.00 C ATOM 0 H ILE A 89 -9.019 0.638 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.377 2.710 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.957 1.943 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.804 1.171 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.259 0.304 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.029 3.086 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.411 4.188 -2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.040 3.528 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.260 -0.895 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.219 -0.357 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.742 0.523 -3.013 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.439 3.263 -3.993 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.000 4.275 -4.881 1.00 0.00 C ATOM 1374 C GLN A 90 -11.266 4.880 -4.284 1.00 0.00 C ATOM 1375 O GLN A 90 -11.569 6.052 -4.503 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.310 3.667 -6.251 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.070 3.270 -7.036 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.406 2.592 -8.349 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -10.403 1.878 -8.456 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.571 2.810 -9.359 1.00 0.00 N ATOM 0 H GLN A 90 -9.464 2.314 -4.366 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.261 5.067 -5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.940 2.788 -6.115 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.886 4.385 -6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.469 4.158 -7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.460 2.600 -6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.756 3.409 -9.227 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.745 2.378 -10.267 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.002 4.072 -3.528 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.235 4.525 -2.898 1.00 0.00 C ATOM 1391 C ALA A 91 -12.972 5.691 -1.951 1.00 0.00 C ATOM 1392 O ALA A 91 -13.804 6.587 -1.807 1.00 0.00 O ATOM 1393 CB ALA A 91 -13.900 3.377 -2.153 1.00 0.00 C ATOM 0 H ALA A 91 -11.765 3.099 -3.337 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.908 4.873 -3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.820 3.730 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.132 2.575 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.224 3.003 -1.384 1.00 0.00 H new ATOM 1399 N ALA A 92 -11.811 5.673 -1.306 1.00 0.00 N ATOM 1400 CA ALA A 92 -11.438 6.728 -0.373 1.00 0.00 C ATOM 1401 C ALA A 92 -10.487 7.727 -1.024 1.00 0.00 C ATOM 1402 O ALA A 92 -10.762 8.926 -1.061 1.00 0.00 O ATOM 1403 CB ALA A 92 -10.805 6.130 0.875 1.00 0.00 C ATOM 0 H ALA A 92 -11.112 4.938 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.344 7.262 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.531 6.930 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.517 5.462 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.913 5.569 0.597 1.00 0.00 H new ATOM 1409 N SER A 93 -9.370 7.224 -1.537 1.00 0.00 N ATOM 1410 CA SER A 93 -8.378 8.072 -2.189 1.00 0.00 C ATOM 1411 C SER A 93 -8.887 8.567 -3.538 1.00 0.00 C ATOM 1412 O SER A 93 -9.608 7.857 -4.239 1.00 0.00 O ATOM 1413 CB SER A 93 -7.066 7.308 -2.375 1.00 0.00 C ATOM 1414 OG SER A 93 -6.692 6.638 -1.184 1.00 0.00 O ATOM 0 H SER A 93 -9.128 6.233 -1.514 1.00 0.00 H new ATOM 0 HA SER A 93 -8.200 8.936 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.174 6.585 -3.184 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.277 8.000 -2.669 1.00 0.00 H new ATOM 0 HG SER A 93 -5.955 7.121 -0.754 1.00 0.00 H new ATOM 1420 N SER A 94 -8.509 9.790 -3.896 1.00 0.00 N ATOM 1421 CA SER A 94 -8.928 10.380 -5.161 1.00 0.00 C ATOM 1422 C SER A 94 -8.039 11.564 -5.532 1.00 0.00 C ATOM 1423 O SER A 94 -7.747 12.419 -4.696 1.00 0.00 O ATOM 1424 CB SER A 94 -10.387 10.831 -5.079 1.00 0.00 C ATOM 1425 OG SER A 94 -11.263 9.809 -5.523 1.00 0.00 O ATOM 0 H SER A 94 -7.913 10.391 -3.327 1.00 0.00 H new ATOM 0 HA SER A 94 -8.832 9.620 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.630 11.101 -4.051 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.529 11.725 -5.686 1.00 0.00 H new ATOM 0 HG SER A 94 -10.934 8.939 -5.214 1.00 0.00 H new ATOM 1431 N SER A 95 -7.612 11.605 -6.789 1.00 0.00 N ATOM 1432 CA SER A 95 -6.757 12.683 -7.271 1.00 0.00 C ATOM 1433 C SER A 95 -7.592 13.866 -7.750 1.00 0.00 C ATOM 1434 O SER A 95 -7.306 15.016 -7.417 1.00 0.00 O ATOM 1435 CB SER A 95 -5.861 12.183 -8.406 1.00 0.00 C ATOM 1436 OG SER A 95 -6.633 11.726 -9.502 1.00 0.00 O ATOM 0 H SER A 95 -7.844 10.904 -7.493 1.00 0.00 H new ATOM 0 HA SER A 95 -6.131 13.015 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.200 12.986 -8.732 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.226 11.375 -8.043 1.00 0.00 H new ATOM 0 HG SER A 95 -6.037 11.414 -10.214 1.00 0.00 H new ATOM 1442 N GLY A 96 -8.625 13.576 -8.535 1.00 0.00 N ATOM 1443 CA GLY A 96 -9.485 14.625 -9.047 1.00 0.00 C ATOM 1444 C GLY A 96 -9.744 14.489 -10.537 1.00 0.00 C ATOM 1445 O GLY A 96 -10.693 13.819 -10.943 1.00 0.00 O ATOM 0 H GLY A 96 -8.881 12.632 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.435 14.605 -8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.028 15.594 -8.848 1.00 0.00 H new ATOM 1449 N PRO A 97 -8.909 15.117 -11.381 1.00 0.00 N ATOM 1450 CA PRO A 97 -9.065 15.054 -12.839 1.00 0.00 C ATOM 1451 C PRO A 97 -9.168 13.621 -13.347 1.00 0.00 C ATOM 1452 O PRO A 97 -8.158 12.949 -13.552 1.00 0.00 O ATOM 1453 CB PRO A 97 -7.788 15.716 -13.362 1.00 0.00 C ATOM 1454 CG PRO A 97 -7.351 16.620 -12.261 1.00 0.00 C ATOM 1455 CD PRO A 97 -7.751 15.939 -10.982 1.00 0.00 C ATOM 0 HA PRO A 97 -9.981 15.542 -13.173 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.023 14.974 -13.592 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.978 16.273 -14.280 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.274 16.784 -12.295 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.825 17.598 -12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.942 15.327 -10.582 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.017 16.660 -10.209 1.00 0.00 H new ATOM 1463 N SER A 98 -10.398 13.158 -13.549 1.00 0.00 N ATOM 1464 CA SER A 98 -10.633 11.803 -14.035 1.00 0.00 C ATOM 1465 C SER A 98 -10.471 11.731 -15.549 1.00 0.00 C ATOM 1466 O SER A 98 -10.522 12.750 -16.238 1.00 0.00 O ATOM 1467 CB SER A 98 -12.035 11.334 -13.638 1.00 0.00 C ATOM 1468 OG SER A 98 -12.337 11.700 -12.302 1.00 0.00 O ATOM 0 H SER A 98 -11.246 13.700 -13.384 1.00 0.00 H new ATOM 0 HA SER A 98 -9.893 11.146 -13.578 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.772 11.769 -14.313 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.104 10.252 -13.746 1.00 0.00 H new ATOM 0 HG SER A 98 -13.238 11.390 -12.074 1.00 0.00 H new ATOM 1474 N SER A 99 -10.276 10.521 -16.062 1.00 0.00 N ATOM 1475 CA SER A 99 -10.105 10.315 -17.496 1.00 0.00 C ATOM 1476 C SER A 99 -11.003 9.188 -17.995 1.00 0.00 C ATOM 1477 O SER A 99 -10.663 8.011 -17.876 1.00 0.00 O ATOM 1478 CB SER A 99 -8.643 9.999 -17.817 1.00 0.00 C ATOM 1479 OG SER A 99 -8.226 8.807 -17.174 1.00 0.00 O ATOM 0 H SER A 99 -10.232 9.667 -15.506 1.00 0.00 H new ATOM 0 HA SER A 99 -10.390 11.235 -18.006 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.518 9.897 -18.895 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.010 10.828 -17.499 1.00 0.00 H new ATOM 0 HG SER A 99 -8.922 8.124 -17.268 1.00 0.00 H new ATOM 1485 N GLY A 100 -12.152 9.556 -18.553 1.00 0.00 N ATOM 1486 CA GLY A 100 -13.080 8.565 -19.062 1.00 0.00 C ATOM 1487 C GLY A 100 -14.085 8.121 -18.018 1.00 0.00 C ATOM 1488 O GLY A 100 -15.101 8.825 -17.834 1.00 0.00 O ATOM 1489 OXT GLY A 100 -13.857 7.070 -17.383 1.00 0.00 O ATOM 0 H GLY A 100 -12.456 10.523 -18.661 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.611 8.976 -19.921 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.522 7.698 -19.417 1.00 0.00 H new TER 1493 GLY A 100